smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC000095616842 185016167 /nfs/dbraw/zinc/01/61/67/185016167.db2.gz SRTMBQYLRUYJCV-ZDUSSCGKSA-N 0 0 297.345 4.046 10 0 CIAERN Cc1ccc2c(c1)Oc1sc(Cl)cc1C(=O)N2 ZINC000095643015 185017216 /nfs/dbraw/zinc/01/72/16/185017216.db2.gz YPSDOEYUDHJZOQ-UHFFFAOYSA-N 0 0 265.721 4.068 10 0 CIAERN CCNc1cc(C)nc2c(Cl)ccc(Cl)c12 ZINC000082441539 178020831 /nfs/dbraw/zinc/02/08/31/178020831.db2.gz WQZATJQJXIYBMW-UHFFFAOYSA-N 0 0 255.148 4.282 10 0 CIAERN FC(F)(F)c1cccc(Br)c1OC1CC1 ZINC000095733964 185022980 /nfs/dbraw/zinc/02/29/80/185022980.db2.gz YRJCKIVXKIHKJL-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN CC(C)c1nc(Cl)cc(NC2CCCCCC2)n1 ZINC000082509608 178075916 /nfs/dbraw/zinc/07/59/16/178075916.db2.gz ZCSDGUYVCCXGLY-UHFFFAOYSA-N 0 0 267.804 4.388 10 0 CIAERN CCCc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2C)n1 ZINC000082509762 178076595 /nfs/dbraw/zinc/07/65/95/178076595.db2.gz WLQBDFALTHDWNN-WDEREUQCSA-N 0 0 267.804 4.073 10 0 CIAERN CCCc1nc(Cl)cc(NC2CCCCCC2)n1 ZINC000082509802 178076908 /nfs/dbraw/zinc/07/69/08/178076908.db2.gz ISMXWYCSAABJER-UHFFFAOYSA-N 0 0 267.804 4.217 10 0 CIAERN Brc1csc2cc(Br)ccc12 ZINC000095803666 185028170 /nfs/dbraw/zinc/02/81/70/185028170.db2.gz LQQHIORRVCHCNT-UHFFFAOYSA-N 0 0 291.995 4.426 10 0 CIAERN Cc1nc(NC(=O)OC(C)(C)C)c(-c2ccccc2)s1 ZINC000095829203 185028699 /nfs/dbraw/zinc/02/86/99/185028699.db2.gz CJEJFXWRPMIVPQ-UHFFFAOYSA-N 0 0 290.388 4.466 10 0 CIAERN CCN(CC)C(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000095936468 185034275 /nfs/dbraw/zinc/03/42/75/185034275.db2.gz UCXPVXVHRJGYHK-UHFFFAOYSA-N 0 0 267.372 4.144 10 0 CIAERN CCC[C@H](O)c1ccc(SC(F)(F)F)cc1 ZINC000082677191 178165728 /nfs/dbraw/zinc/16/57/28/178165728.db2.gz LIRLBGKOOLTIKW-JTQLQIEISA-N 0 0 250.285 4.132 10 0 CIAERN FC(F)(F)c1ccc(-c2ncc3ccccc3n2)cc1 ZINC000096028914 185067704 /nfs/dbraw/zinc/06/77/04/185067704.db2.gz OEYSIVBTZRFCAK-UHFFFAOYSA-N 0 0 274.245 4.316 10 0 CIAERN Nc1c(Cl)cccc1C(=O)Nc1cccc2ccccc21 ZINC000082699051 178199919 /nfs/dbraw/zinc/19/99/19/178199919.db2.gz QWGVHZYXRHZHJV-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN Cc1c(Cl)cccc1NC(=O)c1cccc(Cl)c1N ZINC000082698976 178200204 /nfs/dbraw/zinc/20/02/04/178200204.db2.gz KWSBHYYLKQIARH-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CC(=O)c1ccc(F)c(-c2ccc3ccccc3n2)c1 ZINC000082709024 178218548 /nfs/dbraw/zinc/21/85/48/178218548.db2.gz MYMVOCAFNHVWCN-UHFFFAOYSA-N 0 0 265.287 4.244 10 0 CIAERN CCOc1ccc2nc(Nc3ccccc3)sc2c1 ZINC000082727216 178243579 /nfs/dbraw/zinc/24/35/79/178243579.db2.gz UPRSZHNQPFXQBV-UHFFFAOYSA-N 0 0 270.357 4.439 10 0 CIAERN CC(C)(C)OC(=O)N1CCC(C(C)(C)C(F)(F)F)CC1 ZINC000096102631 185097760 /nfs/dbraw/zinc/09/77/60/185097760.db2.gz FAXUTLXIPAHSME-UHFFFAOYSA-N 0 0 295.345 4.222 10 0 CIAERN O=C(c1ccc(Br)c2ccccc12)C1CC1 ZINC000083230497 178362968 /nfs/dbraw/zinc/36/29/68/178362968.db2.gz QBDXNCDPPCXROI-UHFFFAOYSA-N 0 0 275.145 4.195 10 0 CIAERN Cc1cc(Cl)c(C(=O)Cc2ccccc2)cc1C ZINC000083187985 178352225 /nfs/dbraw/zinc/35/22/25/178352225.db2.gz JQYGLAJHGFEGGA-UHFFFAOYSA-N 0 0 258.748 4.382 10 0 CIAERN COc1ccc2ccccc2c1C(=O)Cc1ccccc1 ZINC000096887457 185123299 /nfs/dbraw/zinc/12/32/99/185123299.db2.gz PYRXWEXFDJLCGN-UHFFFAOYSA-N 0 0 276.335 4.274 10 0 CIAERN Clc1ccc(NCc2ccc3cc[nH]c3c2)cc1 ZINC000083418004 178426053 /nfs/dbraw/zinc/42/60/53/178426053.db2.gz NEXRGFGWPIMYRD-UHFFFAOYSA-N 0 0 256.736 4.433 10 0 CIAERN CCc1cnc([C@@H](C)Nc2ncnc3ccc(C)cc32)s1 ZINC000301545985 529664661 /nfs/dbraw/zinc/66/46/61/529664661.db2.gz LBAMSZVJEABBNK-LLVKDONJSA-N 0 0 298.415 4.130 10 0 CIAERN Cc1cc(CNc2cnc(Cl)c(C)c2)ccc1F ZINC000083480293 178497473 /nfs/dbraw/zinc/49/74/73/178497473.db2.gz OYUFXWXFAWDYNX-UHFFFAOYSA-N 0 0 264.731 4.103 10 0 CIAERN CCc1cccc(CC)c1NCc1ccccc1OC ZINC000083514746 178545394 /nfs/dbraw/zinc/54/53/94/178545394.db2.gz CUPVHEDXSVQIPA-UHFFFAOYSA-N 0 0 269.388 4.432 10 0 CIAERN Clc1cc(-n2cccc2)ccc1N1CCCCC1 ZINC000226275919 136478914 /nfs/dbraw/zinc/47/89/14/136478914.db2.gz AHBGTVQAHHAYCB-UHFFFAOYSA-N 0 0 260.768 4.121 10 0 CIAERN CCCCC[C@@H](C)Nc1ccc(Br)cn1 ZINC000084680990 178914098 /nfs/dbraw/zinc/91/40/98/178914098.db2.gz HYSKZLRCRVLOSQ-SNVBAGLBSA-N 0 0 271.202 4.225 10 0 CIAERN O=C(C1CCCCC1)N1CC[C@@H](c2c[nH]c3ccccc32)C1 ZINC000084690277 178915447 /nfs/dbraw/zinc/91/54/47/178915447.db2.gz XIRGAGJJACLHRJ-OAHLLOKOSA-N 0 0 296.414 4.064 10 0 CIAERN C[C@H]1CC(Nc2ccc(C(F)(F)F)cn2)C[C@@H](C)C1 ZINC000084976338 178936733 /nfs/dbraw/zinc/93/67/33/178936733.db2.gz MXKMYQHHKVXBNU-DHHPTOIESA-N 0 0 272.314 4.337 10 0 CIAERN Cl/C=C1/CCCC/C1=C/I ZINC000100042354 185702300 /nfs/dbraw/zinc/70/23/00/185702300.db2.gz WATQHRZFKZAIPD-SFECMWDFSA-N 0 0 268.525 4.002 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1OCCNc1cccc(F)c1 ZINC000104016474 185883813 /nfs/dbraw/zinc/88/38/13/185883813.db2.gz JYPJTUHQWRWNPM-CJNGLKHVSA-N 0 0 265.372 4.223 10 0 CIAERN Cc1sc(C(=O)O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1N ZINC000103988632 185876145 /nfs/dbraw/zinc/87/61/45/185876145.db2.gz JDRJHMPKMRVWMD-MWLCHTKSSA-N 0 0 281.421 4.010 10 0 CIAERN CC(C)C1CCC(Nc2cccc3c[nH]nc32)CC1 ZINC000104038794 185885226 /nfs/dbraw/zinc/88/52/26/185885226.db2.gz RKMRVXGUCRPVKM-UHFFFAOYSA-N 0 0 257.381 4.190 10 0 CIAERN CC(C)CCCNc1cc(OC(C)C)c(F)cc1N ZINC000104125188 185899905 /nfs/dbraw/zinc/89/99/05/185899905.db2.gz MFTGMBLJZQHTIL-UHFFFAOYSA-N 0 0 268.376 4.043 10 0 CIAERN CCCc1cc2c(F)c(F)cc(F)c2nc1NCC ZINC000104173317 185916078 /nfs/dbraw/zinc/91/60/78/185916078.db2.gz VBJDTPOQVWGRFY-UHFFFAOYSA-N 0 0 268.282 4.036 10 0 CIAERN C1CC1Nc1n[nH]c2c1CCCCCCCCCC2 ZINC000104170650 185916234 /nfs/dbraw/zinc/91/62/34/185916234.db2.gz RZNRROLRRPHNBY-UHFFFAOYSA-N 0 0 261.413 4.203 10 0 CIAERN CC(C)CN(c1cc(Br)ccc1C=O)C(C)C ZINC000104169760 185916248 /nfs/dbraw/zinc/91/62/48/185916248.db2.gz BCHWOYOPXNDHTE-UHFFFAOYSA-N 0 0 298.224 4.132 10 0 CIAERN CC(C)c1c(Cl)ncnc1N(CC(F)(F)F)C(C)C ZINC000104204511 185930210 /nfs/dbraw/zinc/93/02/10/185930210.db2.gz QIIRPDSFBZACFC-UHFFFAOYSA-N 0 0 295.736 4.031 10 0 CIAERN Cc1cc([C@@H](C)Nc2ncnc(Cl)c2C)c(C)s1 ZINC000104210639 185932060 /nfs/dbraw/zinc/93/20/60/185932060.db2.gz VOLLWZQXDWDKED-SECBINFHSA-N 0 0 281.812 4.290 10 0 CIAERN CC(C)c1c(Cl)ncnc1Oc1cccc(F)c1 ZINC000104229378 185936673 /nfs/dbraw/zinc/93/66/73/185936673.db2.gz WOHSDUPCEXLAMX-UHFFFAOYSA-N 0 0 266.703 4.185 10 0 CIAERN COc1ccccc1Sc1cccc(F)c1[C@H](C)O ZINC000104300871 185959337 /nfs/dbraw/zinc/95/93/37/185959337.db2.gz YEVHOHWKLFXLGQ-JTQLQIEISA-N 0 0 278.348 4.039 10 0 CIAERN CC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O ZINC000004098639 290875642 /nfs/dbraw/zinc/87/56/42/290875642.db2.gz WRBJIPNZGJUCOJ-UHFFFAOYSA-N 0 0 282.383 4.392 10 0 biogenic,in-vitro CIAERN COc1ccc(C)cc1[C@@H](O)C[C@@H](C)C(C)(C)C ZINC000104434196 186000583 /nfs/dbraw/zinc/00/05/83/186000583.db2.gz SRRPNGPCGJWXHQ-OCCSQVGLSA-N 0 0 250.382 4.109 10 0 CIAERN C[C@H](CC(=O)c1cn(C)c2ccccc12)C(C)(C)C ZINC000104432730 186000751 /nfs/dbraw/zinc/00/07/51/186000751.db2.gz MMOQLTLFZBYBQK-GFCCVEGCSA-N 0 0 257.377 4.433 10 0 CIAERN COc1cc(F)c(C(=O)C[C@H](C)C(C)(C)C)c(F)c1 ZINC000104435548 186001253 /nfs/dbraw/zinc/00/12/53/186001253.db2.gz XMXNMKNIMVRMAJ-VIFPVBQESA-N 0 0 270.319 4.228 10 0 CIAERN Oc1ccc(CO[C@@H]2CCC=CCCC2)c2cccnc12 ZINC000090712871 180028746 /nfs/dbraw/zinc/02/87/46/180028746.db2.gz URVDBASMIMOTHZ-OAHLLOKOSA-N 0 0 283.371 4.346 10 0 CIAERN Nc1nc(-c2ccccc2)cc2onc(-c3ccccc3)c21 ZINC000090601685 180011266 /nfs/dbraw/zinc/01/12/66/180011266.db2.gz IIFYMCYKZXRLMA-UHFFFAOYSA-N 0 0 287.322 4.139 10 0 CIAERN CCC(CC)[C@H](C)NC(=O)c1cc(Cl)ccc1F ZINC000104439590 186002284 /nfs/dbraw/zinc/00/22/84/186002284.db2.gz HCBRBWRNOFXLCH-VIFPVBQESA-N 0 0 271.763 4.034 10 0 CIAERN c1ccc(COc2cccc(O[C@@H]3CCCCO3)c2)cc1 ZINC000090754986 180036537 /nfs/dbraw/zinc/03/65/37/180036537.db2.gz VFCUCMIEOILYHC-GOSISDBHSA-N 0 0 284.355 4.171 10 0 CIAERN CC(C)[C@@H]1C=C(COCc2ccccc2)[C@H](C(C)C)O1 ZINC000090766641 180037913 /nfs/dbraw/zinc/03/79/13/180037913.db2.gz YKWOPOIFXAYLLO-ROUUACIJSA-N 0 0 274.404 4.209 10 0 CIAERN Nc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](C1CCCC1)C2 ZINC000091366348 180143062 /nfs/dbraw/zinc/14/30/62/180143062.db2.gz YHTFFQFTXSCVOK-SECBINFHSA-N 0 0 284.186 4.121 10 0 CIAERN Cc1cc(-c2ccc(Br)cc2)c(N)s1 ZINC000105554757 186063161 /nfs/dbraw/zinc/06/31/61/186063161.db2.gz AWVRIQNBJDUSFB-UHFFFAOYSA-N 0 0 268.179 4.068 10 0 CIAERN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000106260440 186105650 /nfs/dbraw/zinc/10/56/50/186105650.db2.gz IWZWIMLEKSSSPG-UMSPYCQHSA-N 0 0 255.764 4.147 10 0 CIAERN CCCc1cc(NC)c2c(Br)ccc(F)c2n1 ZINC000110109137 186285434 /nfs/dbraw/zinc/28/54/34/186285434.db2.gz VTFAPCNMXDVLJF-UHFFFAOYSA-N 0 0 297.171 4.131 10 0 CIAERN Fc1cc(I)ccc1-c1ccccc1 ZINC000112734396 186527840 /nfs/dbraw/zinc/52/78/40/186527840.db2.gz PPLJMXYTVISZLI-UHFFFAOYSA-N 0 0 298.098 4.097 10 0 CIAERN CC(C)(C)OC(=O)N1CCc2cc(C(F)(F)F)ccc21 ZINC000299890314 200881417 /nfs/dbraw/zinc/88/14/17/200881417.db2.gz XNVLJWMWOYYUGU-UHFFFAOYSA-N 0 0 287.281 4.003 10 0 CIAERN Fc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 ZINC000226247655 189770422 /nfs/dbraw/zinc/77/04/22/189770422.db2.gz FCSPXVRQRLTJAA-UHFFFAOYSA-N 0 0 278.286 4.425 10 0 CIAERN C[C@H](O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000226272736 189771031 /nfs/dbraw/zinc/77/10/31/189771031.db2.gz CHMUNGOMPPNXSX-ZDUSSCGKSA-N 0 0 291.350 4.145 10 0 CIAERN CNc1cc2nc(Cc3ccc(Cl)cc3)oc2c(C)c1 ZINC000226271180 189771237 /nfs/dbraw/zinc/77/12/37/189771237.db2.gz UDXJXXKQVQDOFD-UHFFFAOYSA-N 0 0 286.762 4.422 10 0 CIAERN CCNc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000226284589 189771498 /nfs/dbraw/zinc/77/14/98/189771498.db2.gz BIPLAKYLBJWADM-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN Cc1c(Cl)cccc1N[C@@H](C)c1cncs1 ZINC000163034866 261303158 /nfs/dbraw/zinc/30/31/58/261303158.db2.gz OPPZZUUDCAPEBC-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN Cc1nc2cc(Br)cc(Cl)c2s1 ZINC000238493746 189901075 /nfs/dbraw/zinc/90/10/75/189901075.db2.gz MIUWVJBOWCCLLP-UHFFFAOYSA-N 0 0 262.559 4.021 10 0 CIAERN CCCOc1ccc(N[C@H](C)c2cncs2)cc1 ZINC000165341156 261369196 /nfs/dbraw/zinc/36/91/96/261369196.db2.gz SKICFKRHMWCMAS-LLVKDONJSA-N 0 0 262.378 4.105 10 0 CIAERN COc1ccccc1Nc1nc(C)nc2sc(C)cc21 ZINC000000224130 169580067 /nfs/dbraw/zinc/58/00/67/169580067.db2.gz IEXMMTSKZBKTGK-UHFFFAOYSA-N 0 0 285.372 4.060 10 0 CIAERN CC(C)C(=O)Nc1nc2ccc(C(C)C)cc2s1 ZINC000004348573 184531583 /nfs/dbraw/zinc/53/15/83/184531583.db2.gz RJOBFFOQXNMUHY-UHFFFAOYSA-N 0 0 262.378 4.014 10 0 CIAERN Cc1cc([C@@H](C)Nc2cc(F)ccc2F)c(C)o1 ZINC000020437798 184535759 /nfs/dbraw/zinc/53/57/59/184535759.db2.gz RRTKYAQWAPDBSQ-SECBINFHSA-N 0 0 251.276 4.348 10 0 CIAERN Cc1ccc(F)cc1NCc1cc2ccccc2o1 ZINC000021017660 184536020 /nfs/dbraw/zinc/53/60/20/184536020.db2.gz CYGIYFQWNWGZEB-UHFFFAOYSA-N 0 0 255.292 4.492 10 0 CIAERN Cc1cc(-c2ccccc2)nc(NCc2ccccc2)n1 ZINC000039401597 184546904 /nfs/dbraw/zinc/54/69/04/184546904.db2.gz TWFBUYAHGQJCLR-UHFFFAOYSA-N 0 0 275.355 4.064 10 0 CIAERN C[C@@H](NCc1ccncc1Cl)c1ccc(Cl)s1 ZINC000088781265 260005005 /nfs/dbraw/zinc/00/50/05/260005005.db2.gz PZTVXVZOIJANGJ-MRVPVSSYSA-N 0 0 287.215 4.301 10 0 CIAERN Cc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000226293895 256785399 /nfs/dbraw/zinc/78/53/99/256785399.db2.gz QSQIIVJXWXFAHN-UHFFFAOYSA-N 0 0 299.198 4.499 10 0 CIAERN CC[C@H](C)CC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000188492461 262300708 /nfs/dbraw/zinc/30/07/08/262300708.db2.gz VAZGSGAXXGZFMS-DTWKUNHWSA-N 0 0 259.802 4.015 10 0 CIAERN C[C@@H](O)c1cc(F)ccc1N1c2ccccc2CC[C@@H]1C ZINC000035631184 134799881 /nfs/dbraw/zinc/79/98/81/134799881.db2.gz ZNGLRWLFXVKFJR-QWHCGFSZSA-N 0 0 285.362 4.352 10 0 CIAERN CC(C)c1ccccc1CNC(=O)c1ccccc1Cl ZINC000003100408 169855587 /nfs/dbraw/zinc/85/55/87/169855587.db2.gz WPLRFRKNVVKZEB-UHFFFAOYSA-N 0 0 287.790 4.393 10 0 CIAERN O=C(c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000003633648 169904796 /nfs/dbraw/zinc/90/47/96/169904796.db2.gz JNZSSTRROCDPRU-UHFFFAOYSA-N 0 0 257.141 4.286 10 0 CIAERN COc1ccc2sc(Nc3ccc(C)cc3)nc2c1 ZINC000005087614 170065492 /nfs/dbraw/zinc/06/54/92/170065492.db2.gz GJTLAOSAUNSLPS-UHFFFAOYSA-N 0 0 270.357 4.357 10 0 CIAERN COc1cc(Oc2ccc(Cl)cc2Cl)ccc1N ZINC000005141153 170070624 /nfs/dbraw/zinc/07/06/24/170070624.db2.gz CZURCTYLIQGETM-UHFFFAOYSA-N 0 0 284.142 4.377 10 0 CIAERN C[C@@]12CCc3occc3[C@@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260735 170080707 /nfs/dbraw/zinc/08/07/07/170080707.db2.gz DDWYTNONBBOFFA-UDEWZTFKSA-N 0 0 284.399 4.485 10 0 CIAERN CC[C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000005260012 170080802 /nfs/dbraw/zinc/08/08/02/170080802.db2.gz PSDDCESXPYKPGZ-ZDUSSCGKSA-N 0 0 289.400 4.001 10 0 CIAERN CCCC[C@H](C(=O)NC(C)(C)C)c1cc2ccccc2[nH]1 ZINC000005309731 170084847 /nfs/dbraw/zinc/08/48/47/170084847.db2.gz XPNLABZNUWSQCI-AWEZNQCLSA-N 0 0 286.419 4.356 10 0 CIAERN CCN(CC)c1ccc2nc(-c3ccccc3O)oc2c1 ZINC000005311892 170085265 /nfs/dbraw/zinc/08/52/65/170085265.db2.gz MNWFCJNXOIYOEH-UHFFFAOYSA-N 0 0 282.343 4.047 10 0 CIAERN CCn1c([C@@H](C)n2nnc3ccccc32)cc2ccccc21 ZINC000005328047 170085778 /nfs/dbraw/zinc/08/57/78/170085778.db2.gz BNEYDXAFIMXXKR-CYBMUJFWSA-N 0 0 290.370 4.015 10 0 CIAERN CCn1c2ccccc2c2cc3c(cc21)C(=O)CCC3 ZINC000005328034 170086054 /nfs/dbraw/zinc/08/60/54/170086054.db2.gz FWOSJIBGMVSXGQ-UHFFFAOYSA-N 0 0 263.340 4.333 10 0 CIAERN Cc1ccc2c(c1)NC(=S)CC(c1ccccc1)=N2 ZINC000005394493 170094221 /nfs/dbraw/zinc/09/42/21/170094221.db2.gz OYAAFQOWKDCPHF-UHFFFAOYSA-N 0 0 266.369 4.259 10 0 CIAERN Cc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)nc1 ZINC000005394447 170094510 /nfs/dbraw/zinc/09/45/10/170094510.db2.gz WJNHXBXVZFVCNS-YRNVUSSQSA-N 0 0 280.371 4.165 10 0 CIAERN C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000005529219 170109046 /nfs/dbraw/zinc/10/90/46/170109046.db2.gz ONQHNRQKJCBMEN-DPGNGVPNSA-N 0 0 277.795 4.143 10 0 CIAERN FC(F)Sc1ccc(-c2cn3ccsc3n2)cc1 ZINC000005531022 170109559 /nfs/dbraw/zinc/10/95/59/170109559.db2.gz WURIAJTVBVBSJN-UHFFFAOYSA-N 0 0 282.340 4.378 10 0 CIAERN C[C@H](NC(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000005559601 170113458 /nfs/dbraw/zinc/11/34/58/170113458.db2.gz AFJUKFYYRDHPPK-AWEZNQCLSA-N 0 0 275.351 4.331 10 0 CIAERN Cc1ccc(C)c(NCCNc2cc(C)ccc2C)c1 ZINC000005587737 170116462 /nfs/dbraw/zinc/11/64/62/170116462.db2.gz YJRDFNGNNPUBTA-UHFFFAOYSA-N 0 0 268.404 4.444 10 0 CIAERN CC(C)(C)c1ccc(OCc2ccc(C(N)=S)cc2)cc1 ZINC000005592578 170117443 /nfs/dbraw/zinc/11/74/43/170117443.db2.gz ZPNRSEAHOYRRJV-UHFFFAOYSA-N 0 0 299.439 4.197 10 0 CIAERN CC[C@@H](C(=O)n1c(C)nc2ccccc21)c1ccccc1 ZINC000005666317 170125267 /nfs/dbraw/zinc/12/52/67/170125267.db2.gz IDJQVCWUBAOZTN-OAHLLOKOSA-N 0 0 278.355 4.179 10 0 CIAERN Cc1cc2ncn(C(=O)Cc3ccc(Cl)cc3)c2cc1C ZINC000005681033 170127927 /nfs/dbraw/zinc/12/79/27/170127927.db2.gz VTDMPMVWPBOAGJ-UHFFFAOYSA-N 0 0 298.773 4.189 10 0 CIAERN CC1CCN(C(=S)Nc2cccc3ccccc32)CC1 ZINC000005735269 170135473 /nfs/dbraw/zinc/13/54/73/170135473.db2.gz LRVRAEMDIKSHQL-UHFFFAOYSA-N 0 0 284.428 4.269 10 0 CIAERN COc1cccc2c(Cl)c3c(nc12)CCCCC3 ZINC000005734242 170135501 /nfs/dbraw/zinc/13/55/01/170135501.db2.gz UZPGPOWNZCKZNM-UHFFFAOYSA-N 0 0 261.752 4.166 10 0 CIAERN Cc1ccc(-c2ccc(OC(=O)C(C)C)cc2)cc1 ZINC000005746718 170136380 /nfs/dbraw/zinc/13/63/80/170136380.db2.gz CFBPFYNVVCLMJW-UHFFFAOYSA-N 0 0 254.329 4.223 10 0 CIAERN Cc1cccc(C(=O)Oc2ccc(Cl)cc2C)c1 ZINC000005755023 170137224 /nfs/dbraw/zinc/13/72/24/170137224.db2.gz CARKKTZIQOBPDC-UHFFFAOYSA-N 0 0 260.720 4.176 10 0 CIAERN Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1 ZINC000005765110 170138503 /nfs/dbraw/zinc/13/85/03/170138503.db2.gz UNYRULLBEFEDBF-UHFFFAOYSA-N 0 0 274.385 4.483 10 0 CIAERN Cc1ccc(NC(=O)COc2c(C)ccc(C)c2C)cc1C ZINC000005814902 170142529 /nfs/dbraw/zinc/14/25/29/170142529.db2.gz GFHWUZHLNAIAMZ-UHFFFAOYSA-N 0 0 297.398 4.246 10 0 CIAERN CCCCOC(=O)n1c2cc(Cl)ccc2oc1=S ZINC000005861704 170148090 /nfs/dbraw/zinc/14/80/90/170148090.db2.gz JYLIDIOWVWWVBF-UHFFFAOYSA-N 0 0 285.752 4.402 10 0 CIAERN CCN(C(=O)/C(C)=C\c1ccccc1)c1ccccc1 ZINC000005926301 170156709 /nfs/dbraw/zinc/15/67/09/170156709.db2.gz CCVMWCUABDFYAM-PFONDFGASA-N 0 0 265.356 4.143 10 0 CIAERN CCCCCCOC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000005951117 170160747 /nfs/dbraw/zinc/16/07/47/170160747.db2.gz CJCFLGVXYLERED-UHFFFAOYSA-N 0 0 291.391 4.018 10 0 CIAERN CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)OC[C@@H](C)O1 ZINC000006031293 170169746 /nfs/dbraw/zinc/16/97/46/170169746.db2.gz OJMGTOSDJXUMLL-IIAWOOMASA-N 0 0 252.398 4.301 10 0 CIAERN CCOC(=O)c1csc(C)c1-c1ccc(C)cc1 ZINC000006047678 170171564 /nfs/dbraw/zinc/17/15/64/170171564.db2.gz SXJSLNPUHODJOP-UHFFFAOYSA-N 0 0 260.358 4.209 10 0 CIAERN COc1ccc2[nH]c(-c3cc(C)c(O)c(C)c3)c(C)c2c1 ZINC000006069983 170173467 /nfs/dbraw/zinc/17/34/67/170173467.db2.gz OZFHUMGEWVYBRM-UHFFFAOYSA-N 0 0 281.355 4.474 10 0 in-vivo CIAERN Cc1nc2cc3c(cc2s1)OC1(CCCCC1)O3 ZINC000006072160 170174220 /nfs/dbraw/zinc/17/42/20/170174220.db2.gz TYNPXUCEDICLGT-UHFFFAOYSA-N 0 0 261.346 4.036 10 0 CIAERN NC(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000006116745 170177267 /nfs/dbraw/zinc/17/72/67/170177267.db2.gz GPIMZPOFPAUOTJ-UHFFFAOYSA-N 0 0 287.362 4.048 10 0 CIAERN Cc1ccc(/C=C\C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000006131084 170179020 /nfs/dbraw/zinc/17/90/20/170179020.db2.gz OEMGSVPHXSYXIA-HJWRWDBZSA-N 0 0 265.356 4.264 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000006301648 170189326 /nfs/dbraw/zinc/18/93/26/170189326.db2.gz JWAWKWFBWADFON-PKNBQFBNSA-N 0 0 273.282 4.007 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000006301463 170189399 /nfs/dbraw/zinc/18/93/99/170189399.db2.gz ATYFXILJBFIZJH-ACCUITESSA-N 0 0 285.774 4.060 10 0 CIAERN CC(C)CCNC(=S)Nc1ccccc1C(F)(F)F ZINC000006325878 170191357 /nfs/dbraw/zinc/19/13/57/170191357.db2.gz UCAUKJMMRKMLPU-UHFFFAOYSA-N 0 0 290.354 4.038 10 0 CIAERN C[C@H](NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000006335718 170193098 /nfs/dbraw/zinc/19/30/98/170193098.db2.gz BJYDJCIFKDFFGN-JTQLQIEISA-N 0 0 294.181 4.484 10 0 CIAERN CC(C)c1ccc(NC(=O)N[C@H](C)c2ccncc2)cc1 ZINC000006346860 170194318 /nfs/dbraw/zinc/19/43/18/170194318.db2.gz GVXAYJWZJNGTHE-CYBMUJFWSA-N 0 0 283.375 4.088 10 0 CIAERN CCc1ccc(NC(=O)/C(C)=C\c2ccccc2)cc1 ZINC000006574138 170214846 /nfs/dbraw/zinc/21/48/46/170214846.db2.gz SHBWQFGAMSQIQQ-YPKPFQOOSA-N 0 0 265.356 4.291 10 0 CIAERN O=C(Nc1ccc(Cl)cc1)c1ccc2ccccc2c1O ZINC000006584081 170215720 /nfs/dbraw/zinc/21/57/20/170215720.db2.gz DMQGAZLVAUUHLW-UHFFFAOYSA-N 0 0 297.741 4.451 10 0 CIAERN CC(C)CNc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000006671395 170224897 /nfs/dbraw/zinc/22/48/97/170224897.db2.gz GFWPSNAAFGNELR-UHFFFAOYSA-N 0 0 298.358 4.479 10 0 CIAERN Cc1cccc2oc(-c3ccc(Cl)c(N)c3)nc21 ZINC000006687830 170226575 /nfs/dbraw/zinc/22/65/75/170226575.db2.gz FHQHWJMPEIBZAT-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN CCNc1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC000006773714 170242604 /nfs/dbraw/zinc/24/26/04/170242604.db2.gz IXHFWMKXGWQBCD-UHFFFAOYSA-N 0 0 263.344 4.037 10 0 CIAERN Cc1ccc(-c2nsc(-c3ccc(C)cc3)n2)cc1 ZINC000006995789 170261049 /nfs/dbraw/zinc/26/10/49/170261049.db2.gz YSKSBJXPRHCRNP-UHFFFAOYSA-N 0 0 266.369 4.489 10 0 CIAERN Cc1c2ccccc2sc1C(=O)NCc1ccccc1 ZINC000007401853 170282706 /nfs/dbraw/zinc/28/27/06/170282706.db2.gz CTZSJDDKUJGMEQ-UHFFFAOYSA-N 0 0 281.380 4.140 10 0 CIAERN CCCCCCOc1ccc(NC(=O)CCC)cc1 ZINC000007649522 170295357 /nfs/dbraw/zinc/29/53/57/170295357.db2.gz ZHYSBFGCTDRCAG-UHFFFAOYSA-N 0 0 263.381 4.384 10 0 CIAERN Cc1ccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)cc1C ZINC000008162779 170322067 /nfs/dbraw/zinc/32/20/67/170322067.db2.gz ZHLYJWBZHHGGKP-MRXNPFEDSA-N 0 0 297.398 4.326 10 0 CIAERN Cc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1C ZINC000008162776 170322123 /nfs/dbraw/zinc/32/21/23/170322123.db2.gz ZHLYJWBZHHGGKP-INIZCTEOSA-N 0 0 297.398 4.326 10 0 CIAERN CCC(CC)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000008187383 170323534 /nfs/dbraw/zinc/32/35/34/170323534.db2.gz PIPDELISHOZJKI-UHFFFAOYSA-N 0 0 290.407 4.046 10 0 CIAERN Nc1ccccc1SCc1ccc(F)cc1Cl ZINC000008435808 170336524 /nfs/dbraw/zinc/33/65/24/170336524.db2.gz LHUTXDBDHGAZSE-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN c1csc(N2CCc3ccccc3[C@H]2c2ccncc2)c1 ZINC000008436445 170336623 /nfs/dbraw/zinc/33/66/23/170336623.db2.gz RPYMCKOIYUNZFZ-GOSISDBHSA-N 0 0 292.407 4.295 10 0 CIAERN O=C(Nc1ccc(O)cc1)c1cccc(-c2cccs2)c1 ZINC000008512975 170338800 /nfs/dbraw/zinc/33/88/00/170338800.db2.gz CDXOVGDLAWMCFW-UHFFFAOYSA-N 0 0 295.363 4.373 10 0 CIAERN Cc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008550057 170339439 /nfs/dbraw/zinc/33/94/39/170339439.db2.gz QJZFDSMIUFGITP-MRXNPFEDSA-N 0 0 270.763 4.087 10 0 CIAERN Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1C ZINC000008550722 170339912 /nfs/dbraw/zinc/33/99/12/170339912.db2.gz DYDBZHOGUMXRFT-UHFFFAOYSA-N 0 0 282.387 4.248 10 0 CIAERN CCCCOc1cccc(C(=O)Nc2ccccc2OC)c1 ZINC000008564409 170340527 /nfs/dbraw/zinc/34/05/27/170340527.db2.gz YQAUZOVKOKPHFA-UHFFFAOYSA-N 0 0 299.370 4.126 10 0 CIAERN O=Cc1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000008699305 170346243 /nfs/dbraw/zinc/34/62/43/170346243.db2.gz PAUKAACZVMGDTH-UHFFFAOYSA-N 0 0 251.112 4.473 10 0 CIAERN CCOc1cccc2cc(C(=O)Nc3ccccc3C)oc21 ZINC000008960883 170359939 /nfs/dbraw/zinc/35/99/39/170359939.db2.gz IFGCMZCUWXGXND-UHFFFAOYSA-N 0 0 295.338 4.392 10 0 CIAERN Cc1ccc([C@@H]2Nc3ccccc3[C@H]3OCC[C@H]32)cc1 ZINC000009280413 170369977 /nfs/dbraw/zinc/36/99/77/170369977.db2.gz JSZKMJJORLWRAX-RYQLBKOJSA-N 0 0 265.356 4.239 10 0 CIAERN CC(C)(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011639044 170431255 /nfs/dbraw/zinc/43/12/55/170431255.db2.gz XBWXCVARXCMLGN-UHFFFAOYSA-N 0 0 279.689 4.343 10 0 CIAERN OC[C@@H](Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000011734684 170436661 /nfs/dbraw/zinc/43/66/61/170436661.db2.gz ZKDGGOBMZQHKPA-CYBMUJFWSA-N 0 0 281.182 4.312 10 0 CIAERN OC[C@@H](Cc1ccccc1Cl)c1ccccc1Cl ZINC000011734634 170436839 /nfs/dbraw/zinc/43/68/39/170436839.db2.gz WRHODGRXSSSUFD-GFCCVEGCSA-N 0 0 281.182 4.312 10 0 CIAERN CCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1 ZINC000013607302 170568761 /nfs/dbraw/zinc/56/87/61/170568761.db2.gz KDXLDHCWXKUFFD-AATRIKPKSA-N 0 0 284.355 4.273 10 0 CIAERN CCOc1ccc(/C=C/C(=O)N(CC)c2ccccc2)cc1 ZINC000013620481 170569887 /nfs/dbraw/zinc/56/98/87/170569887.db2.gz JJRAJSWJOAIVBI-NTCAYCPXSA-N 0 0 295.382 4.152 10 0 CIAERN Cc1c(C)c(=O)oc2cc(NCc3ccccc3)ccc12 ZINC000013835559 170602895 /nfs/dbraw/zinc/60/28/95/170602895.db2.gz ZGGFUBONROMQTB-UHFFFAOYSA-N 0 0 279.339 4.022 10 0 CIAERN Cc1oncc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000014208882 170624966 /nfs/dbraw/zinc/62/49/66/170624966.db2.gz SYFGQGUCDOIVJK-UHFFFAOYSA-N 0 0 294.310 4.028 10 0 CIAERN COc1c2ccoc2cc2oc(-c3ccccc3)cc(=O)c21 ZINC000014657704 170641440 /nfs/dbraw/zinc/64/14/40/170641440.db2.gz QNWOJWLIFBMWKQ-UHFFFAOYSA-N 0 0 292.290 4.215 10 0 biogenic,in-vitro CIAERN CCOc1ccccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000014795860 170645600 /nfs/dbraw/zinc/64/56/00/170645600.db2.gz PVLNVSGUDZOCSW-UHFFFAOYSA-N 0 0 299.370 4.125 10 0 CIAERN Cc1cc(C)c(C(=O)Nc2cc(Cl)ccc2N)c(C)c1 ZINC000019394956 170782656 /nfs/dbraw/zinc/78/26/56/170782656.db2.gz CICCTAKOZXATID-UHFFFAOYSA-N 0 0 288.778 4.100 10 0 CIAERN CC[C@H](C)c1ccccc1OCc1cccc(N)c1 ZINC000019803202 170871469 /nfs/dbraw/zinc/87/14/69/170871469.db2.gz XFMQZGIJJMSURY-ZDUSSCGKSA-N 0 0 255.361 4.361 10 0 CIAERN Nc1cc(Cl)ccc1C(=O)Nc1cccc2ccccc21 ZINC000019803627 170873266 /nfs/dbraw/zinc/87/32/66/170873266.db2.gz YNBGNWFOUVUBJW-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN Nc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000019810323 170878772 /nfs/dbraw/zinc/87/87/72/170878772.db2.gz QXUBKUIWVPBLCW-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN Nc1ccccc1Oc1ccc(Cl)c2cccnc12 ZINC000019845748 170893830 /nfs/dbraw/zinc/89/38/30/170893830.db2.gz RLGAZSFHTJYPSH-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1ccccc1Cl ZINC000019871492 170902032 /nfs/dbraw/zinc/90/20/32/170902032.db2.gz CEIXFEFRUSXQNI-UHFFFAOYSA-N 0 0 264.683 4.474 10 0 CIAERN c1ccc(N[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000019879326 170907585 /nfs/dbraw/zinc/90/75/85/170907585.db2.gz UJOZIIRZFVAIKA-GOSISDBHSA-N 0 0 260.340 4.283 10 0 CIAERN COc1ccc(CNc2ccccc2C(F)(F)F)cc1O ZINC000019905170 170916416 /nfs/dbraw/zinc/91/64/16/170916416.db2.gz YFRULGNXJYCYBW-UHFFFAOYSA-N 0 0 297.276 4.032 10 0 CIAERN C[C@H](Nc1ccc(Br)cc1F)c1cccnc1 ZINC000019907993 170920007 /nfs/dbraw/zinc/92/00/07/170920007.db2.gz FDBXNXRAJJVNPG-VIFPVBQESA-N 0 0 295.155 4.156 10 0 CIAERN COc1ccc(OC)c(N[C@H](C)c2ccc(F)cc2)c1 ZINC000019910577 170921498 /nfs/dbraw/zinc/92/14/98/170921498.db2.gz YXTKLFBOXFAGLP-LLVKDONJSA-N 0 0 275.323 4.016 10 0 CIAERN CCOc1ccc(NC(CC)CC)cc1OCC ZINC000019912260 170922276 /nfs/dbraw/zinc/92/22/76/170922276.db2.gz ZFOMZFIUEXYGTB-UHFFFAOYSA-N 0 0 251.370 4.085 10 0 CIAERN C[C@@H](Nc1ccc(Br)cc1)c1cccc(O)c1 ZINC000019923187 170929562 /nfs/dbraw/zinc/92/95/62/170929562.db2.gz XQSDVGBHWXPETI-SNVBAGLBSA-N 0 0 292.176 4.328 10 0 CIAERN C[C@@H](Nc1ccccc1Br)c1ccc(O)cc1 ZINC000019922602 170929610 /nfs/dbraw/zinc/92/96/10/170929610.db2.gz YOTCAWYJMYZJPX-SNVBAGLBSA-N 0 0 292.176 4.328 10 0 CIAERN C[C@H](Nc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000019952027 170939614 /nfs/dbraw/zinc/93/96/14/170939614.db2.gz ADHDHKVKWSZQMD-VIFPVBQESA-N 0 0 251.251 4.277 10 0 CIAERN C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(F)cc2F)o1 ZINC000019951862 170939660 /nfs/dbraw/zinc/93/96/60/170939660.db2.gz ANQAMIUYHTWGMZ-SKDRFNHKSA-N 0 0 263.287 4.293 10 0 CIAERN C[C@H](Nc1ccc(F)cc1F)c1ccccc1F ZINC000019952013 170939804 /nfs/dbraw/zinc/93/98/04/170939804.db2.gz HJCAOJFUJZVFHO-VIFPVBQESA-N 0 0 251.251 4.277 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccc(F)cc2F)cc1F ZINC000019952496 170939930 /nfs/dbraw/zinc/93/99/30/170939930.db2.gz GNQRPJYEYRITQW-SECBINFHSA-N 0 0 281.277 4.286 10 0 CIAERN COc1cccc(N[C@@H](C)c2c(F)cccc2F)c1 ZINC000019964054 170945614 /nfs/dbraw/zinc/94/56/14/170945614.db2.gz XUAYQLIXNCEWLV-JTQLQIEISA-N 0 0 263.287 4.147 10 0 CIAERN Cc1ccccc1N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000019965028 170946344 /nfs/dbraw/zinc/94/63/44/170946344.db2.gz VRUJIXIVRWGBFA-CQSZACIVSA-N 0 0 283.371 4.157 10 0 CIAERN CCC(CC)CNc1ccc(OC(F)(F)F)cc1 ZINC000019985766 170960998 /nfs/dbraw/zinc/96/09/98/170960998.db2.gz FJGSVSUDFFXIPQ-UHFFFAOYSA-N 0 0 261.287 4.433 10 0 CIAERN Clc1cc(Cl)c(NC[C@H]2CCCO2)cc1Cl ZINC000019998758 170965486 /nfs/dbraw/zinc/96/54/86/170965486.db2.gz PPZIWAYHKVXULQ-SSDOTTSWSA-N 0 0 280.582 4.238 10 0 CIAERN C[C@H](Oc1ccc(C(F)(F)F)cc1N)c1ccccc1 ZINC000020005092 170967185 /nfs/dbraw/zinc/96/71/85/170967185.db2.gz WXYVBBHUHFVDPW-JTQLQIEISA-N 0 0 281.277 4.428 10 0 CIAERN C[C@@H](Oc1ccc(C(F)(F)F)cc1N)c1ccccc1 ZINC000020005089 170967194 /nfs/dbraw/zinc/96/71/94/170967194.db2.gz WXYVBBHUHFVDPW-SNVBAGLBSA-N 0 0 281.277 4.428 10 0 CIAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1C(C)=O ZINC000020005909 170967416 /nfs/dbraw/zinc/96/74/16/170967416.db2.gz AYUJCBQNCBMXHD-WFASDCNBSA-N 0 0 264.340 4.376 10 0 CIAERN Nc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000020010276 170968273 /nfs/dbraw/zinc/96/82/73/170968273.db2.gz SYZCVHJYMJMZHX-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN Fc1ccc(NCc2cc(F)ccc2Br)cc1 ZINC000020051924 170979629 /nfs/dbraw/zinc/97/96/29/170979629.db2.gz AROXBLLZOZXLFO-UHFFFAOYSA-N 0 0 298.130 4.339 10 0 CIAERN O=Cc1ccc(Oc2cccc(Br)c2)c(F)c1 ZINC000020079604 170985785 /nfs/dbraw/zinc/98/57/85/170985785.db2.gz XJHHLNOGLTVWDN-UHFFFAOYSA-N 0 0 295.107 4.193 10 0 CIAERN Fc1ccc(CNc2ccc3[nH]ccc3c2)c(F)c1 ZINC000020132252 171020417 /nfs/dbraw/zinc/02/04/17/171020417.db2.gz MNZPJUFBUSUKMQ-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Brc1ccc(CNc2ccc3[nH]ccc3c2)o1 ZINC000020132363 171020706 /nfs/dbraw/zinc/02/07/06/171020706.db2.gz WNFKXOQDAXRDEO-UHFFFAOYSA-N 0 0 291.148 4.136 10 0 CIAERN C[C@@H](NCc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000020136162 171023812 /nfs/dbraw/zinc/02/38/12/171023812.db2.gz RSGANCPQRSWHMV-LLVKDONJSA-N 0 0 286.375 4.286 10 0 CIAERN Cc1nc([C@@H](C)N[C@H](C)c2cccs2)c(C)s1 ZINC000020148662 171037198 /nfs/dbraw/zinc/03/71/98/171037198.db2.gz GGXNLHNPBOBMFI-RKDXNWHRSA-N 0 0 266.435 4.233 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1ccc(Br)cc1 ZINC000020193359 171059430 /nfs/dbraw/zinc/05/94/30/171059430.db2.gz SKVJXEIWAHGPLV-JTQLQIEISA-N 0 0 292.176 4.328 10 0 CIAERN Clc1cccc(NCc2ccncc2)c1Cl ZINC000020245748 171098993 /nfs/dbraw/zinc/09/89/93/171098993.db2.gz IZDQJXDBXPYBDK-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN COc1cc(CNc2cccc(Cl)c2Cl)ccc1O ZINC000020245733 171099138 /nfs/dbraw/zinc/09/91/38/171099138.db2.gz GIXKDEJCSZGDAG-UHFFFAOYSA-N 0 0 298.169 4.320 10 0 CIAERN COc1ccc(C)cc1NCc1ccc2ccccc2n1 ZINC000020246248 171099174 /nfs/dbraw/zinc/09/91/74/171099174.db2.gz IHRSRKFWLITXKF-UHFFFAOYSA-N 0 0 278.355 4.164 10 0 CIAERN Cc1ccc(NCc2ccc3ccccc3n2)cc1F ZINC000020246310 171099334 /nfs/dbraw/zinc/09/93/34/171099334.db2.gz QQYZOYQUYGTZHW-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN Nc1ccccc1SCc1ccc2ncccc2c1 ZINC000020248432 171102091 /nfs/dbraw/zinc/10/20/91/171102091.db2.gz WHJKPDHKLKGDMA-UHFFFAOYSA-N 0 0 266.369 4.109 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1cccc2cccnc21 ZINC000020297136 171137392 /nfs/dbraw/zinc/13/73/92/171137392.db2.gz CRKBYXKKABGUSS-UHFFFAOYSA-N 0 0 281.286 4.369 10 0 CIAERN COC(=O)c1ccc(CSc2ccc(C)cc2C)cc1 ZINC000020297748 171137406 /nfs/dbraw/zinc/13/74/06/171137406.db2.gz CYRAJADRVLRJPA-UHFFFAOYSA-N 0 0 286.396 4.382 10 0 CIAERN Cc1ccc(NC(=O)CNc2cccc(C(C)C)c2)cc1 ZINC000020302973 171140172 /nfs/dbraw/zinc/14/01/72/171140172.db2.gz XGXWHPHCOWQYGP-UHFFFAOYSA-N 0 0 282.387 4.169 10 0 CIAERN Fc1cccc(F)c1NCc1ccc2ccccc2n1 ZINC000020359495 171157928 /nfs/dbraw/zinc/15/79/28/171157928.db2.gz ZPCYPSGNCOSJDC-UHFFFAOYSA-N 0 0 270.282 4.125 10 0 CIAERN CCN(Cc1ccccc1)c1ccc(F)cc1C(C)=O ZINC000020358817 171158172 /nfs/dbraw/zinc/15/81/72/171158172.db2.gz MPLIOWNTAVUFBJ-UHFFFAOYSA-N 0 0 271.335 4.055 10 0 CIAERN Cc1ccc(NCc2ccc3ccccc3n2)c(F)c1 ZINC000020359980 171158895 /nfs/dbraw/zinc/15/88/95/171158895.db2.gz GCOIDLLUDCTEAA-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN COc1ccc(OC)c(CNc2ccc(C)cc2Cl)c1 ZINC000020361044 171159429 /nfs/dbraw/zinc/15/94/29/171159429.db2.gz QHGMAGKHCZYUNJ-UHFFFAOYSA-N 0 0 291.778 4.278 10 0 CIAERN N[C@@H](c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000020369151 171166752 /nfs/dbraw/zinc/16/67/52/171166752.db2.gz DEKPTXKDBJCFSI-OAHLLOKOSA-N 0 0 257.720 4.134 10 0 CIAERN N[C@@H](c1cc2ccccc2o1)c1ccccc1Cl ZINC000020369128 171167191 /nfs/dbraw/zinc/16/71/91/171167191.db2.gz RBTJSIDIBROUON-OAHLLOKOSA-N 0 0 257.720 4.134 10 0 CIAERN Nc1ccc(NC2CCCCC2)cc1C(F)(F)F ZINC000020381456 171172396 /nfs/dbraw/zinc/17/23/96/171172396.db2.gz JWVGTLVRUMIQKN-UHFFFAOYSA-N 0 0 258.287 4.032 10 0 CIAERN C[C@H](Nc1ccccc1N)C12CC3CC(CC(C3)C1)C2 ZINC000020382086 171172582 /nfs/dbraw/zinc/17/25/82/171172582.db2.gz IXRSVMMASGLJNY-IHWZXDPASA-N 0 0 270.420 4.286 10 0 CIAERN Nc1ccc(NCc2ccc(Cl)cc2)c(Cl)c1 ZINC000020381365 171172772 /nfs/dbraw/zinc/17/27/72/171172772.db2.gz JZEJODKJKYDCEF-UHFFFAOYSA-N 0 0 267.159 4.188 10 0 CIAERN Nc1cc(F)ccc1NCCc1ccc(Cl)cc1Cl ZINC000020383218 171173352 /nfs/dbraw/zinc/17/33/52/171173352.db2.gz BXVADBBBFBSJNY-UHFFFAOYSA-N 0 0 299.176 4.369 10 0 CIAERN C[C@H]1[C@H](Nc2ccc(Cl)cc2N)CCC[C@@H]1C ZINC000020383537 171174008 /nfs/dbraw/zinc/17/40/08/171174008.db2.gz WGEUMWAOXQABNA-OPQQBVKSSA-N 0 0 252.789 4.159 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1N ZINC000020383671 171174305 /nfs/dbraw/zinc/17/43/05/171174305.db2.gz XBWPJMKLEKKNMI-CABZTGNLSA-N 0 0 272.314 4.278 10 0 CIAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000020389662 171179061 /nfs/dbraw/zinc/17/90/61/171179061.db2.gz BJJUECSLYIPBPD-HNNXBMFYSA-N 0 0 257.720 4.134 10 0 CIAERN COC(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1 ZINC000020391603 171180553 /nfs/dbraw/zinc/18/05/53/171180553.db2.gz MVDSWGIBETYNBK-UHFFFAOYSA-N 0 0 254.329 4.264 10 0 CIAERN O=C(Cc1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000020427003 171192888 /nfs/dbraw/zinc/19/28/88/171192888.db2.gz TUFVAALFGJOXGW-UHFFFAOYSA-N 0 0 287.771 4.375 10 0 CIAERN Fc1ccc(NC[C@H]2CC=CCC2)c(Br)c1 ZINC000020430316 171194922 /nfs/dbraw/zinc/19/49/22/171194922.db2.gz YGKXSODJQRBWCH-JTQLQIEISA-N 0 0 284.172 4.356 10 0 CIAERN Fc1ccc(CNc2ccc(F)c(Cl)c2)c(F)c1 ZINC000020429963 171195315 /nfs/dbraw/zinc/19/53/15/171195315.db2.gz WITHGYPHFGBOBG-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN Oc1cccc(-c2nc(-c3cccs3)cs2)c1 ZINC000020432992 171197792 /nfs/dbraw/zinc/19/77/92/171197792.db2.gz MPEFPAITYOJGBK-UHFFFAOYSA-N 0 0 259.355 4.244 10 0 CIAERN Cc1ccc(-c2csc(-c3ccc(O)cc3)n2)o1 ZINC000020432958 171197830 /nfs/dbraw/zinc/19/78/30/171197830.db2.gz DCQDEVZMFWOTAC-UHFFFAOYSA-N 0 0 257.314 4.084 10 0 CIAERN Cc1ccc(Oc2ccccc2CO)c(Br)c1 ZINC000020435456 171201268 /nfs/dbraw/zinc/20/12/68/171201268.db2.gz BPSKHXSSFVQYHX-UHFFFAOYSA-N 0 0 293.160 4.042 10 0 CIAERN Cc1ccc(C(C)C)c(Oc2ccc(CO)cc2)c1 ZINC000020435337 171201270 /nfs/dbraw/zinc/20/12/70/171201270.db2.gz GGXMJUQXTTVEES-UHFFFAOYSA-N 0 0 256.345 4.403 10 0 CIAERN Cc1cc(C)cc(Oc2cccc(Cl)c2CO)c1 ZINC000020435375 171201494 /nfs/dbraw/zinc/20/14/94/171201494.db2.gz UESUEYDRJOPYON-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN C[C@@H]1C[C@H](OCc2ccc(Cl)nc2)CC(C)(C)C1 ZINC000020513759 171231580 /nfs/dbraw/zinc/23/15/80/171231580.db2.gz PKULCGDPKZRJOA-YPMHNXCESA-N 0 0 267.800 4.466 10 0 CIAERN C[C@H]1C[C@@H](OCc2ccc(Cl)nc2)CC(C)(C)C1 ZINC000020513754 171231629 /nfs/dbraw/zinc/23/16/29/171231629.db2.gz PKULCGDPKZRJOA-WCQYABFASA-N 0 0 267.800 4.466 10 0 CIAERN CC(=O)c1c(F)cccc1OC[C@@H]1CC=CC[C@H]1C ZINC000020519265 171233421 /nfs/dbraw/zinc/23/34/21/171233421.db2.gz IRXZGASMLORMHH-YPMHNXCESA-N 0 0 262.324 4.009 10 0 CIAERN C[C@H]1CC=CC[C@@H]1COc1cccc(Cl)c1C=O ZINC000020519338 171233608 /nfs/dbraw/zinc/23/36/08/171233608.db2.gz VESMIGJZWUXOSW-NWDGAFQWSA-N 0 0 264.752 4.134 10 0 CIAERN Cc1ccc(C(C)(C)C)c(Oc2ncccc2N)c1 ZINC000020523680 171235953 /nfs/dbraw/zinc/23/59/53/171235953.db2.gz OSXNBDKLIRORFN-UHFFFAOYSA-N 0 0 256.349 4.062 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cccc2ccccc21 ZINC000020524197 171237404 /nfs/dbraw/zinc/23/74/04/171237404.db2.gz UFPWRQCEJWBWFU-ZDUSSCGKSA-N 0 0 257.377 4.455 10 0 CIAERN C[C@H](CNc1cccc2ncccc21)c1ccccc1 ZINC000020545717 171243779 /nfs/dbraw/zinc/24/37/79/171243779.db2.gz WLEALTNQUJSQFB-CQSZACIVSA-N 0 0 262.356 4.450 10 0 CIAERN CCOc1ccc(NCC(CC)CC)cc1OCC ZINC000020547201 171244667 /nfs/dbraw/zinc/24/46/67/171244667.db2.gz MHJAGDOFMPCQJP-UHFFFAOYSA-N 0 0 265.397 4.332 10 0 CIAERN Cc1cc(OCc2ccccc2C(N)=S)ccc1C(C)C ZINC000020547466 171244970 /nfs/dbraw/zinc/24/49/70/171244970.db2.gz OSPFTXHQSXPJEC-UHFFFAOYSA-N 0 0 299.439 4.332 10 0 CIAERN CCc1ccc([C@@H](C)Nc2cc(OC)ccc2OC)cc1 ZINC000020547547 171245008 /nfs/dbraw/zinc/24/50/08/171245008.db2.gz IAEVKTZSNCHCSR-CYBMUJFWSA-N 0 0 285.387 4.439 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccccc1C=O ZINC000020547427 171245173 /nfs/dbraw/zinc/24/51/73/171245173.db2.gz IYHWVRDGZHWINB-UNEWFSDZSA-N 0 0 260.377 4.339 10 0 CIAERN COc1ccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)cn1 ZINC000020548070 171245691 /nfs/dbraw/zinc/24/56/91/171245691.db2.gz VOWCEOGSTXJWHS-ZIAGYGMSSA-N 0 0 262.397 4.107 10 0 CIAERN C[C@@H](Oc1cccc(Cl)c1C=O)c1ccccc1 ZINC000020549962 171246625 /nfs/dbraw/zinc/24/66/25/171246625.db2.gz DAYQNERKNAHOFO-LLVKDONJSA-N 0 0 260.720 4.293 10 0 CIAERN CC(C)Oc1ccc([C@H](C)NCc2ccco2)cc1F ZINC000020549981 171246841 /nfs/dbraw/zinc/24/68/41/171246841.db2.gz LEZUDYDIAZETOZ-LBPRGKRZSA-N 0 0 277.339 4.057 10 0 CIAERN C[C@H](CCc1ccc(O)cc1)Nc1cccc(Cl)c1 ZINC000020552566 171247758 /nfs/dbraw/zinc/24/77/58/171247758.db2.gz MTRVUMUXOPANPG-GFCCVEGCSA-N 0 0 275.779 4.479 10 0 CIAERN COc1ccc(NCc2ccc(Cl)c(Cl)c2)cn1 ZINC000020553372 171248493 /nfs/dbraw/zinc/24/84/93/171248493.db2.gz NATFCFQTKRBBBY-UHFFFAOYSA-N 0 0 283.158 4.009 10 0 CIAERN Clc1ccccc1Oc1ccc2c(c1)CCCN2 ZINC000020554030 171249254 /nfs/dbraw/zinc/24/92/54/171249254.db2.gz NUQSFOFSZZCIHR-UHFFFAOYSA-N 0 0 259.736 4.490 10 0 CIAERN CCc1ccc(OC[C@@H](N)c2cc3ccccc3o2)cc1 ZINC000020557097 171250315 /nfs/dbraw/zinc/25/03/15/171250315.db2.gz UDYOTCBEAYNMBA-MRXNPFEDSA-N 0 0 281.355 4.074 10 0 CIAERN Cc1cc(C)c([C@H](C)Nc2cccc(O)c2)c(C)c1 ZINC000020558398 171250761 /nfs/dbraw/zinc/25/07/61/171250761.db2.gz JOASJYUPVRNAHR-AWEZNQCLSA-N 0 0 255.361 4.491 10 0 CIAERN COc1ccc(NCc2ccc(Cl)cc2Cl)cn1 ZINC000020558767 171251257 /nfs/dbraw/zinc/25/12/57/171251257.db2.gz OHPNZYBONQGLRG-UHFFFAOYSA-N 0 0 283.158 4.009 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(N)cc1Cl ZINC000020563201 171252598 /nfs/dbraw/zinc/25/25/98/171252598.db2.gz RMBKQRBLCRHXQV-ZWNOBZJWSA-N 0 0 253.773 4.270 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1Cl)n1cc[nH]c1=S ZINC000020581223 171257012 /nfs/dbraw/zinc/25/70/12/171257012.db2.gz KVBWSIQXNLVCMK-ZETCQYMHSA-N 0 0 273.188 4.462 10 0 CIAERN Cc1ccc(Cl)c(NC2N=NC(=S)S2)c1Cl ZINC000020581520 171257031 /nfs/dbraw/zinc/25/70/31/171257031.db2.gz BOJQUGZYIVGIKR-UHFFFAOYSA-N 0 0 292.216 4.186 10 0 CIAERN C[C@H](c1ccc(Cl)cc1Cl)n1cc[nH]c1=S ZINC000020581226 171257045 /nfs/dbraw/zinc/25/70/45/171257045.db2.gz KVBWSIQXNLVCMK-SSDOTTSWSA-N 0 0 273.188 4.462 10 0 CIAERN C[C@@H](n1cc[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020581162 171257092 /nfs/dbraw/zinc/25/70/92/171257092.db2.gz ILTKWRRYTKTJIH-QFGHMXTESA-N 0 0 262.422 4.323 10 0 CIAERN S=c1[nH]ccn1CCc1ccc(Cl)cc1Cl ZINC000020581216 171257191 /nfs/dbraw/zinc/25/71/91/171257191.db2.gz DOWFWBPCKZADDX-UHFFFAOYSA-N 0 0 273.188 4.095 10 0 CIAERN Cc1ccc(Nc2ccc(F)cc2N)c(Br)c1 ZINC000020584712 171258242 /nfs/dbraw/zinc/25/82/42/171258242.db2.gz UHINPHBXHFMJTH-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Nc1ccccc1Nc1cc(Cl)ccc1Cl ZINC000020584646 171258293 /nfs/dbraw/zinc/25/82/93/171258293.db2.gz QVQNPMHJQXLYME-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Nc1cc(Br)ccc1Nc1ccc(Cl)cc1 ZINC000020585503 171258569 /nfs/dbraw/zinc/25/85/69/171258569.db2.gz XLQHQMIGLQOZPG-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN Nc1ccc(Nc2ccc(Br)cc2F)c(F)c1 ZINC000020585213 171258629 /nfs/dbraw/zinc/25/86/29/171258629.db2.gz YSTQVLIDZDWYAO-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Nc1ccccc1Nc1cc(Cl)cc(Cl)c1 ZINC000020585291 171258767 /nfs/dbraw/zinc/25/87/67/171258767.db2.gz SIVAJWSBJAHOOI-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Nc1cc(F)ccc1Nc1cc(Cl)cc(Cl)c1 ZINC000020585285 171258768 /nfs/dbraw/zinc/25/87/68/171258768.db2.gz XLBCUBJDFPOYJZ-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Cc1ccc(F)cc1Nc1ccc(Cl)cc1N ZINC000020585634 171258910 /nfs/dbraw/zinc/25/89/10/171258910.db2.gz KDNCIYLCXOIKJA-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN CCc1ccccc1Nc1ccc(Br)cc1N ZINC000020585665 171258942 /nfs/dbraw/zinc/25/89/42/171258942.db2.gz MECMCOCDOWCVSP-UHFFFAOYSA-N 0 0 291.192 4.337 10 0 CIAERN Nc1ccc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000020585507 171259018 /nfs/dbraw/zinc/25/90/18/171259018.db2.gz QQFODYFMTPKLNO-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Cc1cccc(Nc2ccc(Br)cc2N)c1 ZINC000020585757 171259091 /nfs/dbraw/zinc/25/90/91/171259091.db2.gz FSDJTFLWNOXODZ-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Cc1ccc(Nc2ccc(N)cc2F)c(Cl)c1 ZINC000020585888 171259147 /nfs/dbraw/zinc/25/91/47/171259147.db2.gz NATCIGZVSNPAIU-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN C[C@H]1CCCC[C@@H]1n1c(=S)[nH]nc1-c1cccs1 ZINC000020591260 171261441 /nfs/dbraw/zinc/26/14/41/171261441.db2.gz LXGBMQBWVVBZSX-UWVGGRQHSA-N 0 0 279.434 4.420 10 0 CIAERN C[C@H](Nc1ccc(F)cc1Cl)c1cccc(O)c1 ZINC000020594961 171263617 /nfs/dbraw/zinc/26/36/17/171263617.db2.gz QVAAOCVQYGJIQX-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN CC(C)C(=O)Nc1cc2ccccc2cc1NC(=O)C(C)C ZINC000021003465 171284590 /nfs/dbraw/zinc/28/45/90/171284590.db2.gz CBUSWWCKWLKAEM-UHFFFAOYSA-N 0 0 298.386 4.029 10 0 CIAERN Cc1ccc(Nc2ccccc2C(N)=S)cc1Cl ZINC000021010371 171286647 /nfs/dbraw/zinc/28/66/47/171286647.db2.gz PUYKRQVQPHBHDE-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN CC(C)(C)c1ccc(COc2ccccc2C(N)=S)cc1 ZINC000021010423 171286900 /nfs/dbraw/zinc/28/69/00/171286900.db2.gz AAMZQEFPEOQUDN-UHFFFAOYSA-N 0 0 299.439 4.197 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(OC(F)F)cc1 ZINC000021011871 171287482 /nfs/dbraw/zinc/28/74/82/171287482.db2.gz PBBILEZTBDQJDX-MFKMUULPSA-N 0 0 255.308 4.279 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1cc(OC)c(Cl)cc1OC ZINC000021014871 171289430 /nfs/dbraw/zinc/28/94/30/171289430.db2.gz ARBKIYSXDOIORP-ZJUUUORDSA-N 0 0 271.788 4.204 10 0 CIAERN N=C1c2ccccc2CN1c1cccc(Cl)c1Cl ZINC000021023281 171290659 /nfs/dbraw/zinc/29/06/59/171290659.db2.gz UPQDKTZSPVVSEL-UHFFFAOYSA-N 0 0 277.154 4.339 10 0 CIAERN C[C@@H](NCC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000021032825 171291935 /nfs/dbraw/zinc/29/19/35/171291935.db2.gz QYLYXNFEDCGNDX-SNVBAGLBSA-N 0 0 259.315 4.197 10 0 CIAERN COc1ccccc1CNc1ccc(Cl)cc1C ZINC000021040094 171293330 /nfs/dbraw/zinc/29/33/30/171293330.db2.gz KKMBAQLRRPGPIU-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN NC(=S)c1ccc(Oc2cccc3ccccc32)cc1 ZINC000021047268 171294434 /nfs/dbraw/zinc/29/44/34/171294434.db2.gz DNLTULMMTSVCEA-UHFFFAOYSA-N 0 0 279.364 4.266 10 0 CIAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1cccc(N)c1 ZINC000021047713 171294500 /nfs/dbraw/zinc/29/45/00/171294500.db2.gz IQMBYPSBFZHWFK-JQFCIGGWSA-N 0 0 261.409 4.246 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1cccc(N)c1 ZINC000021047707 171294504 /nfs/dbraw/zinc/29/45/04/171294504.db2.gz IQMBYPSBFZHWFK-COXVUDFISA-N 0 0 261.409 4.246 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1cccc(N)c1 ZINC000021047724 171294509 /nfs/dbraw/zinc/29/45/09/171294509.db2.gz IQMBYPSBFZHWFK-XKQJLSEDSA-N 0 0 261.409 4.246 10 0 CIAERN CC(C)c1nnc(SCc2cccc3ccccc32)[nH]1 ZINC000021158886 171298511 /nfs/dbraw/zinc/29/85/11/171298511.db2.gz ACKQPSYCEPGEPG-UHFFFAOYSA-N 0 0 283.400 4.374 10 0 CIAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000021286021 171300557 /nfs/dbraw/zinc/30/05/57/171300557.db2.gz OCYHEKKQEPEYEO-CYBMUJFWSA-N 0 0 287.790 4.448 10 0 CIAERN CCc1ccc([C@H](C)Nc2cccc(OC)c2)cc1 ZINC000021502499 171306168 /nfs/dbraw/zinc/30/61/68/171306168.db2.gz KIXIPYLJWCIREX-ZDUSSCGKSA-N 0 0 255.361 4.431 10 0 CIAERN CC[C@@H](C)CNc1ccc(Br)cc1C ZINC000021504343 171307211 /nfs/dbraw/zinc/30/72/11/171307211.db2.gz HFELCGLIDLDSEN-SECBINFHSA-N 0 0 256.187 4.216 10 0 CIAERN CCOC(=O)c1cnc2ccc(C(C)(C)C)cc2c1Cl ZINC000021505587 171307448 /nfs/dbraw/zinc/30/74/48/171307448.db2.gz QOYCLUGFBUUVJS-UHFFFAOYSA-N 0 0 291.778 4.362 10 0 CIAERN CSCCCNc1ccc(Cl)cc1Cl ZINC000021508010 171308911 /nfs/dbraw/zinc/30/89/11/171308911.db2.gz YOSDMYWOSQSQQG-UHFFFAOYSA-N 0 0 250.194 4.158 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C=O)cc1 ZINC000021508480 171308927 /nfs/dbraw/zinc/30/89/27/171308927.db2.gz RBJGXRNLHNXKRM-XYPHTWIQSA-N 0 0 260.377 4.339 10 0 CIAERN CCc1ccc([C@H](C)Nc2ccccc2OC)cc1 ZINC000021510854 171310064 /nfs/dbraw/zinc/31/00/64/171310064.db2.gz CTAXHAWFDWFOMU-ZDUSSCGKSA-N 0 0 255.361 4.431 10 0 CIAERN C[C@H]1Cc2ccccc2N1c1ccc(C(F)(F)F)cc1N ZINC000021512013 171310749 /nfs/dbraw/zinc/31/07/49/171310749.db2.gz FRQXEZBINYUVRB-JTQLQIEISA-N 0 0 292.304 4.370 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(F)cc1N ZINC000021513621 171311391 /nfs/dbraw/zinc/31/13/91/171311391.db2.gz FABLSEMNPZNULT-KFNAQCHYSA-N 0 0 265.372 4.248 10 0 CIAERN CCOc1ccc(CNc2cccc(Cl)c2)cc1 ZINC000021516473 171312911 /nfs/dbraw/zinc/31/29/11/171312911.db2.gz DBNDHPGIAORTGO-UHFFFAOYSA-N 0 0 261.752 4.351 10 0 CIAERN CC(=O)c1ccc(Oc2cccc(C)c2C)c(F)c1 ZINC000021518831 171314879 /nfs/dbraw/zinc/31/48/79/171314879.db2.gz HNGRHNMSKWYUKJ-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN CCCCC[C@@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021798954 171325436 /nfs/dbraw/zinc/32/54/36/171325436.db2.gz IVNVLZCKJUVEQG-SNVBAGLBSA-N 0 0 271.307 4.389 10 0 CIAERN COc1cc(OC)c(N[C@@H]2CCCC[C@H]2C)cc1Cl ZINC000021806863 171327782 /nfs/dbraw/zinc/32/77/82/171327782.db2.gz BHDVLWAVJWOKTO-ZYHUDNBSSA-N 0 0 283.799 4.348 10 0 CIAERN C[C@@H](Nc1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000021806601 171327994 /nfs/dbraw/zinc/32/79/94/171327994.db2.gz HPYAIJZMTZIOPN-JISDDCRVSA-N 0 0 256.393 4.098 10 0 CIAERN CC[C@H]1CCCC[C@H]1Oc1c(N)cccc1Cl ZINC000021811714 171329153 /nfs/dbraw/zinc/32/91/53/171329153.db2.gz LZXJZUSGNIKLHO-GXFFZTMASA-N 0 0 253.773 4.270 10 0 CIAERN NC(=S)c1ccccc1Nc1cc(Cl)ccc1Cl ZINC000021811808 171329324 /nfs/dbraw/zinc/32/93/24/171329324.db2.gz KQPIVGGEYUUCHN-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN FC1(F)Oc2ccc(NCc3ccccc3Cl)cc2O1 ZINC000021813875 171330810 /nfs/dbraw/zinc/33/08/10/171330810.db2.gz PINIESCARAPYPA-UHFFFAOYSA-N 0 0 297.688 4.274 10 0 CIAERN N[C@@H](c1ccc(C2CCCCC2)cc1)C(F)(F)F ZINC000021814213 171331197 /nfs/dbraw/zinc/33/11/97/171331197.db2.gz MKIULLUZOJEQLS-ZDUSSCGKSA-N 0 0 257.299 4.296 10 0 CIAERN COc1ccc(Cl)cc1N[C@@H]1CCC[C@H](C)C1 ZINC000021815616 171332094 /nfs/dbraw/zinc/33/20/94/171332094.db2.gz ILGBGRNLTBYFNM-CMPLNLGQSA-N 0 0 253.773 4.339 10 0 CIAERN CC(C)Cc1ccc([C@H](C)NCC(F)(F)F)cc1 ZINC000021820140 171334524 /nfs/dbraw/zinc/33/45/24/171334524.db2.gz LTNAWTHEKGWFKH-NSHDSACASA-N 0 0 259.315 4.098 10 0 CIAERN O=Cc1ccc(-c2ccccc2OC(F)(F)F)cc1F ZINC000021950639 171339297 /nfs/dbraw/zinc/33/92/97/171339297.db2.gz HTEOOODXFIBDNJ-UHFFFAOYSA-N 0 0 284.208 4.204 10 0 CIAERN Nc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000021967079 171343786 /nfs/dbraw/zinc/34/37/86/171343786.db2.gz UPNFFLXJCREVPR-UHFFFAOYSA-N 0 0 296.157 4.220 10 0 CIAERN CC(C)(C)c1ccc(-c2cc(=O)[nH]c3ccccc32)cc1 ZINC000021994519 171347287 /nfs/dbraw/zinc/34/72/87/171347287.db2.gz OAGPVVQPHPYPCS-UHFFFAOYSA-N 0 0 277.367 4.493 10 0 CIAERN CCOc1ccccc1Oc1cccc(Cl)c1C=O ZINC000022146848 171356650 /nfs/dbraw/zinc/35/66/50/171356650.db2.gz ZYLNLWOCRLCJHU-UHFFFAOYSA-N 0 0 276.719 4.344 10 0 CIAERN Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000022152239 171359702 /nfs/dbraw/zinc/35/97/02/171359702.db2.gz BQOIWEIRQGMGSE-UHFFFAOYSA-N 0 0 295.151 4.476 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)c1c(F)cccc1Cl ZINC000023651869 171424963 /nfs/dbraw/zinc/42/49/63/171424963.db2.gz KBSXQMDGQRKARS-NSHDSACASA-N 0 0 291.753 4.279 10 0 CIAERN c1ccc2sc(N[C@H]3CCOc4ccccc43)nc2c1 ZINC000025370731 171455233 /nfs/dbraw/zinc/45/52/33/171455233.db2.gz CTYTWFRVAGAPHZ-LBPRGKRZSA-N 0 0 282.368 4.232 10 0 CIAERN O=C(CCCCCCc1ccccc1)C(F)(F)F ZINC000026641734 171494384 /nfs/dbraw/zinc/49/43/84/171494384.db2.gz LKXJGCHERZYPOU-UHFFFAOYSA-N 0 0 258.283 4.311 10 0 in-vivo CIAERN Oc1ccc(-c2ccc(-c3ccc(O)cc3)s2)cc1 ZINC000028571224 171564765 /nfs/dbraw/zinc/56/47/65/171564765.db2.gz KZMOBYGIRBRCFV-UHFFFAOYSA-N 0 0 268.337 4.493 10 0 in-vivo CIAERN Cc1cc(Cl)cc2cc(/C=C/[N+](=O)[O-])c(Cl)nc12 ZINC000032099821 171696781 /nfs/dbraw/zinc/69/67/81/171696781.db2.gz YWTLJVXSFSZRLL-NSCUHMNNSA-N 0 0 283.114 4.097 10 0 CIAERN CC(C)c1cc2ccccc2nc1Br ZINC000032105020 171697674 /nfs/dbraw/zinc/69/76/74/171697674.db2.gz RPQHCKQGSHXOFD-UHFFFAOYSA-N 0 0 250.139 4.121 10 0 CIAERN Cc1cc(C)cc(NC[C@H](O)c2ccc(Cl)cc2)c1 ZINC000032122181 171712364 /nfs/dbraw/zinc/71/23/64/171712364.db2.gz KHWITXMRCFYZRA-INIZCTEOSA-N 0 0 275.779 4.102 10 0 CIAERN Cc1ccc(NC[C@@H](O)c2ccc(Cl)cc2)cc1C ZINC000032122178 171712489 /nfs/dbraw/zinc/71/24/89/171712489.db2.gz KTVRKKXOMWZKEI-MRXNPFEDSA-N 0 0 275.779 4.102 10 0 CIAERN Cc1nnc(N[C@@H](C)c2ccc(F)cc2)c2ccccc12 ZINC000032830327 171754214 /nfs/dbraw/zinc/75/42/14/171754214.db2.gz ZYPRNNMQZANFOX-NSHDSACASA-N 0 0 281.334 4.250 10 0 CIAERN Cc1ccccc1CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000033192320 171773641 /nfs/dbraw/zinc/77/36/41/171773641.db2.gz NEBGJZWPZQOXNK-NSHDSACASA-N 0 0 293.819 4.130 10 0 CIAERN CCCCCNC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000033625176 171815780 /nfs/dbraw/zinc/81/57/80/171815780.db2.gz ABVQTXPIJULGEI-VURMDHGXSA-N 0 0 286.202 4.313 10 0 CIAERN C[C@H]1C[C@H](c2cccnc2)Nc2ccc(Cl)cc21 ZINC000034219319 171834541 /nfs/dbraw/zinc/83/45/41/171834541.db2.gz SZYJBJGSZNNGBU-ZUZCIYMTSA-N 0 0 258.752 4.395 10 0 CIAERN C[C@@H](NC(=O)/C=C\c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000034262537 171835692 /nfs/dbraw/zinc/83/56/92/171835692.db2.gz FYZDHJODBXAXDT-NNFCYIEZSA-N 0 0 299.414 4.014 10 0 CIAERN Cc1cn(C(=O)OC(C)(C)C)c2ccc(Cl)cc12 ZINC000034523882 171843163 /nfs/dbraw/zinc/84/31/63/171843163.db2.gz KGRBQRJFHZXYHB-UHFFFAOYSA-N 0 0 265.740 4.386 10 0 CIAERN CC[C@H](Nc1ncnc(Cl)c1C)c1ccccc1 ZINC000034766800 171866237 /nfs/dbraw/zinc/86/62/37/171866237.db2.gz IEXDQJTUCBHCDA-LBPRGKRZSA-N 0 0 261.756 4.002 10 0 CIAERN C[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 ZINC000034980668 171912839 /nfs/dbraw/zinc/91/28/39/171912839.db2.gz HWZDJQBVUBIXTM-LLVKDONJSA-N 0 0 284.746 4.134 10 0 CIAERN CCN(c1ccccc1C)[C@H](C)C(=O)c1ccc(F)cc1 ZINC000035023252 171941549 /nfs/dbraw/zinc/94/15/49/171941549.db2.gz MYEVBAQIPJBJMD-CQSZACIVSA-N 0 0 285.362 4.232 10 0 CIAERN C[C@H](Nc1ccc(C(F)(F)F)cn1)c1cccs1 ZINC000035127924 171997629 /nfs/dbraw/zinc/99/76/29/171997629.db2.gz WMRJKBIGSKAZSD-QMMMGPOBSA-N 0 0 272.295 4.335 10 0 CIAERN O=C(NC1CCCCCCC1)c1c[nH]c2ccccc12 ZINC000035134633 172001429 /nfs/dbraw/zinc/00/14/29/172001429.db2.gz PYECMAUDCAATIT-UHFFFAOYSA-N 0 0 270.376 4.011 10 0 CIAERN Cc1ccc(Cl)cc1NC(=O)c1c[nH]c2ccccc12 ZINC000035134662 172001597 /nfs/dbraw/zinc/00/15/97/172001597.db2.gz MXUZQZUELYWIDU-UHFFFAOYSA-N 0 0 284.746 4.382 10 0 CIAERN FC(F)(F)c1cc(Cl)ccc1NC[C@H]1CCCCO1 ZINC000035150811 172013752 /nfs/dbraw/zinc/01/37/52/172013752.db2.gz KYGXCQNRBGJDEM-SNVBAGLBSA-N 0 0 293.716 4.340 10 0 CIAERN FC(F)(F)c1ccc(Cl)c(NC[C@H]2CCCCO2)c1 ZINC000035150684 172013900 /nfs/dbraw/zinc/01/39/00/172013900.db2.gz VRULCYUYCDLWAO-SNVBAGLBSA-N 0 0 293.716 4.340 10 0 CIAERN O=C(CSc1ccc(F)cc1)c1ccccc1Cl ZINC000035181471 172035080 /nfs/dbraw/zinc/03/50/80/172035080.db2.gz CSDWPYYLNXEXDI-UHFFFAOYSA-N 0 0 280.751 4.454 10 0 CIAERN O=C(CSc1ccccc1F)c1ccccc1Cl ZINC000035181935 172035719 /nfs/dbraw/zinc/03/57/19/172035719.db2.gz SABKGWMPCQOFMK-UHFFFAOYSA-N 0 0 280.751 4.454 10 0 CIAERN Cc1cc(C)cc(O[C@H](C)C(=O)c2ccc(F)cc2)c1 ZINC000035182393 172035879 /nfs/dbraw/zinc/03/58/79/172035879.db2.gz VJPDGJLMSCGOCF-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 ZINC000035182262 172035960 /nfs/dbraw/zinc/03/59/60/172035960.db2.gz YZZOONWNHJCXSA-OAHLLOKOSA-N 0 0 268.356 4.262 10 0 CIAERN CCCc1ccc(C(=O)CS[C@@H](C)CC)cc1 ZINC000035182549 172036006 /nfs/dbraw/zinc/03/60/06/172036006.db2.gz HIYQMSUOOIAYID-LBPRGKRZSA-N 0 0 250.407 4.354 10 0 CIAERN Cc1ccc(OCC(=O)c2cc3ccccc3o2)cc1C ZINC000035182341 172036087 /nfs/dbraw/zinc/03/60/87/172036087.db2.gz WJEYEDFZLCBTJZ-UHFFFAOYSA-N 0 0 280.323 4.311 10 0 CIAERN CC[C@@H](C)S[C@H](C)C(=O)c1cc(C)ccc1C ZINC000035182605 172036341 /nfs/dbraw/zinc/03/63/41/172036341.db2.gz GLWUYWIDXKMFSQ-CHWSQXEVSA-N 0 0 250.407 4.406 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)SCC(C)C)cc1C ZINC000035182960 172036614 /nfs/dbraw/zinc/03/66/14/172036614.db2.gz CJSKNJLUHSUMCC-CYBMUJFWSA-N 0 0 250.407 4.264 10 0 CIAERN Cc1ccc(OCC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000035183680 172036652 /nfs/dbraw/zinc/03/66/52/172036652.db2.gz LXMHJMOKHKQXNW-UHFFFAOYSA-N 0 0 268.356 4.380 10 0 CIAERN C[C@H](SCc1ccco1)C(=O)c1ccc(Cl)cc1 ZINC000035183419 172036745 /nfs/dbraw/zinc/03/67/45/172036745.db2.gz MXWPNIONZBVJOD-JTQLQIEISA-N 0 0 280.776 4.438 10 0 CIAERN Cc1ccc(C)c(C(=O)[C@H](C)Oc2ccc(F)cc2)c1 ZINC000035183846 172037261 /nfs/dbraw/zinc/03/72/61/172037261.db2.gz RMIOMUBVDKYWAI-ZDUSSCGKSA-N 0 0 272.319 4.093 10 0 CIAERN O=C(COc1ccccc1)c1ccc(Cl)cc1Cl ZINC000035183919 172037554 /nfs/dbraw/zinc/03/75/54/172037554.db2.gz CVGRLGYRVOQCMV-UHFFFAOYSA-N 0 0 281.138 4.255 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000035184335 172038082 /nfs/dbraw/zinc/03/80/82/172038082.db2.gz SYJOREJZQRCPRD-OAHLLOKOSA-N 0 0 268.356 4.262 10 0 CIAERN Cc1csc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)n1 ZINC000035184870 172038783 /nfs/dbraw/zinc/03/87/83/172038783.db2.gz DGZXVYSFRITPPN-MRVPVSSYSA-N 0 0 299.367 4.093 10 0 CIAERN Cc1csc(S[C@@H](C)C(=O)c2ccc(C)cc2)n1 ZINC000035184864 172038938 /nfs/dbraw/zinc/03/89/38/172038938.db2.gz YPTRWJARVHOUTE-NSHDSACASA-N 0 0 277.414 4.123 10 0 CIAERN CC(=O)c1ccc2ccccc2c1OCCC(C)C ZINC000035186741 172041225 /nfs/dbraw/zinc/04/12/25/172041225.db2.gz FDYSSINMNSKLEZ-UHFFFAOYSA-N 0 0 256.345 4.467 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1ccc(F)c(F)c1 ZINC000035207729 172052827 /nfs/dbraw/zinc/05/28/27/172052827.db2.gz ZUHLLFSEXRPOCV-UHFFFAOYSA-N 0 0 266.218 4.099 10 0 CIAERN COC(=O)c1ccc(NCc2ccccc2Cl)c(C)c1 ZINC000035225125 172069680 /nfs/dbraw/zinc/06/96/80/172069680.db2.gz MLIABJIGAAXJLE-UHFFFAOYSA-N 0 0 289.762 4.047 10 0 CIAERN COC(=O)c1ccc(CNc2ccc3sccc3c2)cc1 ZINC000035229690 172070245 /nfs/dbraw/zinc/07/02/45/172070245.db2.gz FHHOXVLDYPPGJK-UHFFFAOYSA-N 0 0 297.379 4.300 10 0 CIAERN Cc1cc(Nc2ccccc2Br)ccc1N ZINC000035278069 172097523 /nfs/dbraw/zinc/09/75/23/172097523.db2.gz LFKPWRIVORRXLA-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN CCN(CC)C(=S)Nc1c(Cl)cccc1Cl ZINC000035279948 172098386 /nfs/dbraw/zinc/09/83/86/172098386.db2.gz ZWMDPYLNNIBWOS-UHFFFAOYSA-N 0 0 277.220 4.032 10 0 CIAERN C[C@H](Nc1cc(Cl)ccc1F)c1ccccn1 ZINC000035284364 172102691 /nfs/dbraw/zinc/10/26/91/172102691.db2.gz OFXLCTMHAJYPTE-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN Nc1ccc(F)cc1CSc1ccccc1Cl ZINC000035308909 172122010 /nfs/dbraw/zinc/12/20/10/172122010.db2.gz LHXHTYGBGYPETI-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN Nc1ccc(Oc2ccccc2Cl)c2cccnc12 ZINC000035340883 172133056 /nfs/dbraw/zinc/13/30/56/172133056.db2.gz OIRFUUOGKFGDST-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Cc1nc2cc(Oc3ccc(F)cc3)c(N)cc2s1 ZINC000035342833 172135365 /nfs/dbraw/zinc/13/53/65/172135365.db2.gz IFBMXKDWOREMCV-UHFFFAOYSA-N 0 0 274.320 4.118 10 0 CIAERN Nc1c2ncsc2ccc1Sc1ccccc1 ZINC000035345000 172137237 /nfs/dbraw/zinc/13/72/37/172137237.db2.gz REKRBDZBQDPIJC-UHFFFAOYSA-N 0 0 258.371 4.030 10 0 CIAERN CN(Cc1ccccc1N)Cc1ccc(Cl)cc1Cl ZINC000035360829 172152335 /nfs/dbraw/zinc/15/23/35/172152335.db2.gz FMMGNJCXXOSUQL-UHFFFAOYSA-N 0 0 295.213 4.208 10 0 CIAERN O=C(c1cc2c(s1)CCCC2)c1ccc(F)c(F)c1 ZINC000035368780 172160431 /nfs/dbraw/zinc/16/04/31/172160431.db2.gz GWYRZHJWEMRSCV-UHFFFAOYSA-N 0 0 278.323 4.136 10 0 CIAERN Cc1ccc(C(=O)c2cc3c(s2)CCCC3)cc1C ZINC000035369389 172161012 /nfs/dbraw/zinc/16/10/12/172161012.db2.gz JMPXKPHZMFVVSD-UHFFFAOYSA-N 0 0 270.397 4.475 10 0 CIAERN Cc1ccc(C(=O)c2ccc(Br)s2)cc1C ZINC000035369378 172161040 /nfs/dbraw/zinc/16/10/40/172161040.db2.gz VPXRQUTZOYEVDP-UHFFFAOYSA-N 0 0 295.201 4.358 10 0 CIAERN Cc1cc(C(=O)c2cc3c(s2)CCC3)c(C)s1 ZINC000035369202 172161131 /nfs/dbraw/zinc/16/11/31/172161131.db2.gz XCFUHOYXVKQOMR-UHFFFAOYSA-N 0 0 262.399 4.146 10 0 CIAERN Cc1ccc(C(=O)c2c[nH]c3cccc(C)c32)s1 ZINC000035369709 172161413 /nfs/dbraw/zinc/16/14/13/172161413.db2.gz RQHRHSRGNYZMOY-UHFFFAOYSA-N 0 0 255.342 4.077 10 0 CIAERN CN[C@H](c1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000035464737 172212191 /nfs/dbraw/zinc/21/21/91/172212191.db2.gz WFOOXKIXRFWKNG-CQSZACIVSA-N 0 0 284.161 4.441 10 0 CIAERN CN[C@H](c1cccc(Cl)c1)c1c(F)cc(F)cc1F ZINC000035469561 172220756 /nfs/dbraw/zinc/22/07/56/172220756.db2.gz XCIWOMBGRPJHST-CQSZACIVSA-N 0 0 285.696 4.066 10 0 CIAERN CN[C@@H](c1ccc(F)c(F)c1)c1c(F)cccc1Cl ZINC000035494798 172227754 /nfs/dbraw/zinc/22/77/54/172227754.db2.gz JSZMETGRZUCANX-AWEZNQCLSA-N 0 0 285.696 4.066 10 0 CIAERN CN[C@@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035501795 172236313 /nfs/dbraw/zinc/23/63/13/172236313.db2.gz VZYGJELQWXJYDW-CYBMUJFWSA-N 0 0 270.159 4.204 10 0 CIAERN CCN[C@H](c1c(C)c(C)cc(C)c1C)C(F)(F)F ZINC000035547047 172255145 /nfs/dbraw/zinc/25/51/45/172255145.db2.gz SSKQZVFDUYBORE-CYBMUJFWSA-N 0 0 259.315 4.133 10 0 CIAERN CCN[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000035548251 172257113 /nfs/dbraw/zinc/25/71/13/172257113.db2.gz RKDLOCGKFYQQBG-GFCCVEGCSA-N 0 0 259.315 4.197 10 0 CIAERN Cc1ccccc1OCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000035551866 172259481 /nfs/dbraw/zinc/25/94/81/172259481.db2.gz FPNDZIVKJRWWTR-UHFFFAOYSA-N 0 0 299.761 4.013 10 0 CIAERN CCN[C@H](c1ccc(Cl)s1)C(F)(F)C(F)(F)F ZINC000035552899 172260035 /nfs/dbraw/zinc/26/00/35/172260035.db2.gz MKCZFSQTCZWCCC-SSDOTTSWSA-N 0 0 293.688 4.250 10 0 CIAERN CCN[C@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035558642 172264208 /nfs/dbraw/zinc/26/42/08/172264208.db2.gz MPZKKJJLZYVVJI-ZDUSSCGKSA-N 0 0 270.159 4.285 10 0 CIAERN CCN[C@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035559202 172264763 /nfs/dbraw/zinc/26/47/63/172264763.db2.gz SFDIKBMVKLSYMW-JTQLQIEISA-N 0 0 276.188 4.347 10 0 CIAERN FC(F)C(F)(F)C(=S)SCc1ccccc1 ZINC000035569190 172265179 /nfs/dbraw/zinc/26/51/79/172265179.db2.gz AONWTGXYEZZKBE-UHFFFAOYSA-N 0 0 268.300 4.148 10 0 CIAERN CCCN[C@@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035580752 172276709 /nfs/dbraw/zinc/27/67/09/172276709.db2.gz ZGKHHJXZZUMWAW-AWEZNQCLSA-N 0 0 285.334 4.254 10 0 CIAERN CC(C)=CCOc1c2ccccc2ccc1[C@H](C)O ZINC000035628065 172306636 /nfs/dbraw/zinc/30/66/36/172306636.db2.gz LTZYKVKOCSPKPQ-ZDUSSCGKSA-N 0 0 256.345 4.238 10 0 CIAERN CC(C)CCOc1c2ccccc2ccc1[C@H](C)O ZINC000035627938 172306648 /nfs/dbraw/zinc/30/66/48/172306648.db2.gz QGOPJYCCANQOHA-ZDUSSCGKSA-N 0 0 258.361 4.318 10 0 CIAERN C[C@@H](O)c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000035627816 172306702 /nfs/dbraw/zinc/30/67/02/172306702.db2.gz FCWQBNUDJBXFKO-SNVBAGLBSA-N 0 0 280.726 4.111 10 0 CIAERN Cc1ccc([C@@H](N)c2oc3ccc(C)cc3c2C)s1 ZINC000035630558 172312373 /nfs/dbraw/zinc/31/23/73/172312373.db2.gz LSHOHUNGUDOBOJ-OAHLLOKOSA-N 0 0 271.385 4.468 10 0 CIAERN CCN(c1ccccc1)c1ccc(F)cc1[C@H](C)O ZINC000035631375 172313617 /nfs/dbraw/zinc/31/36/17/172313617.db2.gz GARCPYACTSGNEM-LBPRGKRZSA-N 0 0 259.324 4.037 10 0 CIAERN CCN(c1ccccc1)c1cccc(F)c1[C@@H](C)O ZINC000035631370 172313983 /nfs/dbraw/zinc/31/39/83/172313983.db2.gz YXNSACRZUOPBGS-GFCCVEGCSA-N 0 0 259.324 4.037 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccccc2Br)cc1 ZINC000035631889 172314198 /nfs/dbraw/zinc/31/41/98/172314198.db2.gz GERIUAIIHBIHEQ-SNVBAGLBSA-N 0 0 293.160 4.295 10 0 CIAERN C[C@H](O)c1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000035632324 172314805 /nfs/dbraw/zinc/31/48/05/172314805.db2.gz DJQTZWZAHLPATF-VIFPVBQESA-N 0 0 266.699 4.325 10 0 CIAERN Cc1ccc(Oc2cccc(F)c2[C@H](C)O)cc1C ZINC000035632237 172314958 /nfs/dbraw/zinc/31/49/58/172314958.db2.gz MFAHTZTZPXRSRV-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN CCc1ccccc1Oc1cccc(F)c1[C@H](C)O ZINC000035632571 172315662 /nfs/dbraw/zinc/31/56/62/172315662.db2.gz OKPKLRLNWVYCFI-NSHDSACASA-N 0 0 260.308 4.234 10 0 CIAERN C[C@@H](O)c1ccccc1Oc1cccc2cccnc21 ZINC000035650728 172326904 /nfs/dbraw/zinc/32/69/04/172326904.db2.gz FGFNXHRQJACQEK-GFCCVEGCSA-N 0 0 265.312 4.080 10 0 CIAERN O=Cc1cc(Cl)cc(Cl)c1OCCc1ccccc1 ZINC000035662229 172340090 /nfs/dbraw/zinc/34/00/90/172340090.db2.gz ZEVRYQPIWBTQQC-UHFFFAOYSA-N 0 0 295.165 4.427 10 0 CIAERN Cc1ccc(Sc2cc(F)ccc2F)c(N)c1 ZINC000035676181 172346655 /nfs/dbraw/zinc/34/66/55/172346655.db2.gz QEJCWJDWPINVDL-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN Clc1ccnc2c(Cl)cc(Br)cc12 ZINC000035731078 172381306 /nfs/dbraw/zinc/38/13/06/172381306.db2.gz HWFLROVBQJWQCA-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN Cc1cc(Oc2ncc(Cl)cc2N)cc(C)c1Cl ZINC000036243125 172540563 /nfs/dbraw/zinc/54/05/63/172540563.db2.gz KQGNAECAKCVTAH-UHFFFAOYSA-N 0 0 283.158 4.380 10 0 CIAERN Clc1nc2sccc2c(Nc2ccccc2)n1 ZINC000036277480 172568751 /nfs/dbraw/zinc/56/87/51/172568751.db2.gz UTHPYNUGJMRTRU-UHFFFAOYSA-N 0 0 261.737 4.088 10 0 CIAERN Cc1cc(C(=O)COc2ccc(C)c(C)c2)c(C)s1 ZINC000036324345 172608734 /nfs/dbraw/zinc/60/87/34/172608734.db2.gz RJGCEFFGIKPPOC-UHFFFAOYSA-N 0 0 274.385 4.243 10 0 CIAERN Nc1cccc(Nc2ccccc2C(F)(F)F)c1 ZINC000036720376 172657351 /nfs/dbraw/zinc/65/73/51/172657351.db2.gz UCEKTFSZTLFRPP-UHFFFAOYSA-N 0 0 252.239 4.031 10 0 CIAERN C[C@H](Nc1cc(Br)ccc1F)c1cccnc1 ZINC000036751307 172677466 /nfs/dbraw/zinc/67/74/66/172677466.db2.gz VHUKKHSQWOXCOM-VIFPVBQESA-N 0 0 295.155 4.156 10 0 CIAERN CCOC(=O)c1ccccc1NCc1ccc(Cl)s1 ZINC000036804534 172722004 /nfs/dbraw/zinc/72/20/04/172722004.db2.gz KRNPABKNGFZRQA-UHFFFAOYSA-N 0 0 295.791 4.190 10 0 CIAERN Cc1nc([C@@H](C)Nc2cccc3cccnc32)cs1 ZINC000036914401 172800818 /nfs/dbraw/zinc/80/08/18/172800818.db2.gz VKKVTYLIDIVTRB-SNVBAGLBSA-N 0 0 269.373 4.173 10 0 CIAERN CC(=O)Nc1ccc(F)c(N[C@@H](C)CCC(C)C)c1 ZINC000036918707 172804508 /nfs/dbraw/zinc/80/45/08/172804508.db2.gz MUKCCDMJQSBBOC-NSHDSACASA-N 0 0 266.360 4.021 10 0 CIAERN CC(C)Cc1noc(N)c1-c1ccc(C(C)C)cc1 ZINC000036937416 172816098 /nfs/dbraw/zinc/81/60/98/172816098.db2.gz WPNYNPKECSFKKG-UHFFFAOYSA-N 0 0 258.365 4.246 10 0 CIAERN COC(=O)c1ccc(Cl)cc1N[C@H](C)CCC(C)C ZINC000036952398 172825589 /nfs/dbraw/zinc/82/55/89/172825589.db2.gz CYVGFFYLYZODMT-LLVKDONJSA-N 0 0 283.799 4.363 10 0 CIAERN CC[C@@H](Nc1cccnc1Cl)c1ccc(OC)cc1 ZINC000036982723 172849503 /nfs/dbraw/zinc/84/95/03/172849503.db2.gz HAZWKSSJULHERI-CYBMUJFWSA-N 0 0 276.767 4.307 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc3n[nH]cc3c2)s1 ZINC000036989530 172852793 /nfs/dbraw/zinc/85/27/93/172852793.db2.gz AFTCWZXCZVZHRC-SNVBAGLBSA-N 0 0 257.362 4.106 10 0 CIAERN CCOc1cc(N[C@H]2CCCC[C@@H]2C)ccc1OC ZINC000037091731 172947028 /nfs/dbraw/zinc/94/70/28/172947028.db2.gz HWSRLMIWSPBFEZ-JSGCOSHPSA-N 0 0 263.381 4.085 10 0 CIAERN Clc1ccc([C@H](NCc2ccco2)c2ccco2)s1 ZINC000037184272 173016222 /nfs/dbraw/zinc/01/62/22/173016222.db2.gz VIPUGFRYIGMYKG-CQSZACIVSA-N 0 0 293.775 4.467 10 0 CIAERN Nc1ccc(SCc2ccc(Cl)c(Cl)c2)cn1 ZINC000037192255 173021076 /nfs/dbraw/zinc/02/10/76/173021076.db2.gz OZYLTNCSLHCDHM-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN CO[C@@H]1CCCC[C@H]1Nc1ccccc1SC(F)F ZINC000037197826 173024822 /nfs/dbraw/zinc/02/48/22/173024822.db2.gz RYIIFIXLLGQYCL-ZYHUDNBSSA-N 0 0 287.375 4.371 10 0 CIAERN Cc1csc2nc(C)c(CNc3ccc(Cl)cc3)n12 ZINC000037202796 173026203 /nfs/dbraw/zinc/02/62/03/173026203.db2.gz APWFZHWXLDKMBO-UHFFFAOYSA-N 0 0 291.807 4.278 10 0 CIAERN COc1ccc(CNc2ccccc2Cl)cc1C ZINC000037210853 173033077 /nfs/dbraw/zinc/03/30/77/173033077.db2.gz NVRAQONUUBZTPS-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN CCOc1ccc(Br)cc1C(=O)CCC(C)C ZINC000037225854 173045515 /nfs/dbraw/zinc/04/55/15/173045515.db2.gz CZVPZBZXXRGLTQ-UHFFFAOYSA-N 0 0 299.208 4.467 10 0 CIAERN Cc1sc2ncnc(NCC3CCCCC3)c2c1C ZINC000037247319 173060350 /nfs/dbraw/zinc/06/03/50/173060350.db2.gz SPIJCTZGNFBDRQ-UHFFFAOYSA-N 0 0 275.421 4.300 10 0 CIAERN CC(C)(C)n1cc(CNc2ccc(F)cc2Cl)cn1 ZINC000037250390 173061928 /nfs/dbraw/zinc/06/19/28/173061928.db2.gz CXAFLDLJKQMMPU-UHFFFAOYSA-N 0 0 281.762 4.043 10 0 CIAERN C[C@H]1CCC[C@@H](Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000037251478 173063617 /nfs/dbraw/zinc/06/36/17/173063617.db2.gz FTARLMJZRQOLEN-NKWVEPMBSA-N 0 0 279.252 4.373 10 0 CIAERN CSc1nc2ccc(N[C@@H]3C[C@@H]4CC=C[C@H]34)cc2s1 ZINC000037278535 173088290 /nfs/dbraw/zinc/08/82/90/173088290.db2.gz LNUHAYQIOCNVAK-XHVZSJERSA-N 0 0 288.441 4.395 10 0 CIAERN C[C@H](Nc1cc2c(cc1Cl)OCO2)C1CCCCC1 ZINC000037281503 173089190 /nfs/dbraw/zinc/08/91/90/173089190.db2.gz HEKIAUHMWJJQBD-JTQLQIEISA-N 0 0 281.783 4.449 10 0 CIAERN COC(=O)CCCNc1cc(Cl)c(Cl)cc1Cl ZINC000037286478 173092362 /nfs/dbraw/zinc/09/23/62/173092362.db2.gz JFKYCZNDYGMEKH-UHFFFAOYSA-N 0 0 296.581 4.012 10 0 CIAERN COc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1C ZINC000037289021 173093792 /nfs/dbraw/zinc/09/37/92/173093792.db2.gz CWAFVKBEKMMIQJ-UHFFFAOYSA-N 0 0 274.747 4.082 10 0 CIAERN COc1ccc(N[C@H](c2cccs2)C(C)C)cc1O ZINC000037317321 173118074 /nfs/dbraw/zinc/11/80/74/173118074.db2.gz TVWOYZMWSGQRGP-HNNXBMFYSA-N 0 0 277.389 4.272 10 0 CIAERN Fc1ccccc1CC[C@@H]1CCc2ccccc2N1 ZINC000037328199 173128833 /nfs/dbraw/zinc/12/88/33/173128833.db2.gz DBEQGGCZVGTCCD-OAHLLOKOSA-N 0 0 255.336 4.185 10 0 CIAERN Cc1ccc(CC[C@@H]2CCc3ccccc3N2)cc1 ZINC000037328179 173128866 /nfs/dbraw/zinc/12/88/66/173128866.db2.gz LDXKICAZONFRAZ-QGZVFWFLSA-N 0 0 251.373 4.355 10 0 CIAERN Fc1ccccc1CC[C@H]1CCc2ccccc2N1 ZINC000037328198 173128908 /nfs/dbraw/zinc/12/89/08/173128908.db2.gz DBEQGGCZVGTCCD-HNNXBMFYSA-N 0 0 255.336 4.185 10 0 CIAERN Cc1ccc(-c2noc(N)c2-c2cccc(Cl)c2)o1 ZINC000037349863 173144622 /nfs/dbraw/zinc/14/46/22/173144622.db2.gz IBOJXPGREGXZLA-UHFFFAOYSA-N 0 0 274.707 4.146 10 0 CIAERN CCOc1ccc(C(=O)C2CCCCC2)cc1OCC ZINC000037354485 173147085 /nfs/dbraw/zinc/14/70/85/173147085.db2.gz YOGSZCLMAKXDJO-UHFFFAOYSA-N 0 0 276.376 4.247 10 0 CIAERN CCCC[C@@H](CC)C(=O)c1ccc(NC(C)=O)cc1 ZINC000037356774 173147765 /nfs/dbraw/zinc/14/77/65/173147765.db2.gz WODCSIHDRUOKBC-CYBMUJFWSA-N 0 0 261.365 4.044 10 0 CIAERN COc1ccc(C(=O)Cc2ccc(C)cc2)cc1Cl ZINC000037362663 173151625 /nfs/dbraw/zinc/15/16/25/173151625.db2.gz IPCOIUOYTCJWSI-UHFFFAOYSA-N 0 0 274.747 4.082 10 0 CIAERN COc1cc(Cl)c(C(=O)C2CCCCC2)cc1OC ZINC000037364739 173153751 /nfs/dbraw/zinc/15/37/51/173153751.db2.gz DEPZKELWHVCLBY-UHFFFAOYSA-N 0 0 282.767 4.120 10 0 CIAERN Cc1cccc(CC(=O)c2nc3ccccc3s2)c1 ZINC000037373569 173163627 /nfs/dbraw/zinc/16/36/27/173163627.db2.gz ZCBDHXZGHSHRTO-UHFFFAOYSA-N 0 0 267.353 4.030 10 0 CIAERN CCCOc1ccccc1Oc1ccc(C)cc1N ZINC000037401535 173178219 /nfs/dbraw/zinc/17/82/19/173178219.db2.gz NMVSGZDCIZFDNO-UHFFFAOYSA-N 0 0 257.333 4.158 10 0 CIAERN CC[C@H]1CCCC[C@@H]1OCc1cc(N)ccc1Cl ZINC000037403379 173179501 /nfs/dbraw/zinc/17/95/01/173179501.db2.gz KPYPTTLOHKIQOE-NHYWBVRUSA-N 0 0 267.800 4.408 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1OCc1cc(N)ccc1Cl ZINC000037403376 173179610 /nfs/dbraw/zinc/17/96/10/173179610.db2.gz KPYPTTLOHKIQOE-ABAIWWIYSA-N 0 0 267.800 4.408 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccccc2OCC)n1 ZINC000037409193 173185727 /nfs/dbraw/zinc/18/57/27/173185727.db2.gz LINKEVVGCGVTBN-UHFFFAOYSA-N 0 0 276.767 4.148 10 0 CIAERN Cc1ccc(Nc2cccc(F)c2N)c(Br)c1 ZINC000037419322 173197138 /nfs/dbraw/zinc/19/71/38/173197138.db2.gz GGXGEICCKYGGFQ-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Cc1cc(C(C)(C)C)ccc1Oc1ccncc1N ZINC000037428916 173200196 /nfs/dbraw/zinc/20/01/96/173200196.db2.gz LQGMTLXFNFUTLA-UHFFFAOYSA-N 0 0 256.349 4.062 10 0 CIAERN CCOc1ccc(OCC)c(N[C@@H](C)C2(C)CC2)c1 ZINC000037467697 173227599 /nfs/dbraw/zinc/22/75/99/173227599.db2.gz DNWUOWQCEDCKBW-LBPRGKRZSA-N 0 0 263.381 4.085 10 0 CIAERN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(O)c1ccc(F)cc1 ZINC000037528887 173252454 /nfs/dbraw/zinc/25/24/54/173252454.db2.gz NJOCKPZXTWSLEW-VBNZEHGJSA-N 0 0 250.357 4.106 10 0 CIAERN C[C@@](O)(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037530806 173253201 /nfs/dbraw/zinc/25/32/01/173253201.db2.gz QEEFKTNHTBQPHZ-OAHLLOKOSA-N 0 0 281.182 4.444 10 0 CIAERN CCc1ccc([C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000037532611 173254100 /nfs/dbraw/zinc/25/41/00/173254100.db2.gz VFAMHXBZFNMPIX-INIZCTEOSA-N 0 0 260.764 4.179 10 0 CIAERN CCC[C@@H](Nc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000037560205 173270462 /nfs/dbraw/zinc/27/04/62/173270462.db2.gz CVYCTVGUGXHCGP-CYBMUJFWSA-N 0 0 263.772 4.027 10 0 CIAERN Nc1ccc(Sc2ncnc3ccccc32)c(Cl)c1 ZINC000037715876 173634175 /nfs/dbraw/zinc/63/41/75/173634175.db2.gz UNWYCEMCGPQPDB-UHFFFAOYSA-N 0 0 287.775 4.017 10 0 CIAERN C[C@H]1CCC[C@H](Nc2ccc(N)cc2C(F)(F)F)C1 ZINC000037754539 173678264 /nfs/dbraw/zinc/67/82/64/173678264.db2.gz JZVZDERXWAQSEA-ONGXEEELSA-N 0 0 272.314 4.278 10 0 CIAERN COc1ccc2cc(COCC(C)C)c(Cl)nc2c1 ZINC000037758289 173682581 /nfs/dbraw/zinc/68/25/81/173682581.db2.gz XUWAESMWROSXBS-UHFFFAOYSA-N 0 0 279.767 4.069 10 0 CIAERN CCc1cccc(C)c1N[C@@H](C)c1scnc1C ZINC000037763862 173690369 /nfs/dbraw/zinc/69/03/69/173690369.db2.gz QEWQUJDZPGPCJM-LBPRGKRZSA-N 0 0 260.406 4.495 10 0 CIAERN CCOc1ccc(N[C@@H](C)CC(C)(C)OC)cc1Cl ZINC000037773479 173705816 /nfs/dbraw/zinc/70/58/16/173705816.db2.gz INBZPZRZYUHWSF-NSHDSACASA-N 0 0 285.815 4.354 10 0 CIAERN CCOc1ccc(Cl)cc1N[C@H](C)c1ccccn1 ZINC000037780902 173710849 /nfs/dbraw/zinc/71/08/49/173710849.db2.gz KXCIUWLZXIBASM-LLVKDONJSA-N 0 0 276.767 4.307 10 0 CIAERN CCCC[C@H](CC)C(=O)c1c(F)cc(OC)cc1F ZINC000037903120 173833876 /nfs/dbraw/zinc/83/38/76/173833876.db2.gz KYPDYBQOACTLCX-JTQLQIEISA-N 0 0 270.319 4.373 10 0 CIAERN C[C@H](Nc1c(Cl)cccc1C(F)(F)F)c1cc[nH]n1 ZINC000037907013 173839463 /nfs/dbraw/zinc/83/94/63/173839463.db2.gz OKKRGPDFYIMDOD-ZETCQYMHSA-N 0 0 289.688 4.255 10 0 CIAERN C[C@@H](Nc1nncc2ccccc21)c1cccc(Cl)c1 ZINC000037975316 173929761 /nfs/dbraw/zinc/92/97/61/173929761.db2.gz LCFUIQAJCIPMIL-LLVKDONJSA-N 0 0 283.762 4.456 10 0 CIAERN Clc1cncc(Oc2cccc(Cl)c2Cl)n1 ZINC000037981654 173941968 /nfs/dbraw/zinc/94/19/68/173941968.db2.gz ULKWQYRIYLSXQQ-UHFFFAOYSA-N 0 0 275.522 4.229 10 0 CIAERN C[C@H](Nc1cccnc1)c1ccc(Br)s1 ZINC000038001609 173964694 /nfs/dbraw/zinc/96/46/94/173964694.db2.gz CYRQDRMIGPOFTH-QMMMGPOBSA-N 0 0 283.194 4.079 10 0 CIAERN Cc1nn(C)c(C)c1NCc1cc(-c2ccccc2)cs1 ZINC000038030742 174022084 /nfs/dbraw/zinc/02/20/84/174022084.db2.gz LVQYHZMNLSKFCY-UHFFFAOYSA-N 0 0 297.427 4.378 10 0 CIAERN CCCOc1cccc(CNc2ccc(C)c(O)c2C)c1 ZINC000038038330 174039192 /nfs/dbraw/zinc/03/91/92/174039192.db2.gz JQKFXEKYUIYJKE-UHFFFAOYSA-N 0 0 285.387 4.410 10 0 CIAERN Nc1cc(F)c(NC2CCCCCCC2)c(F)c1 ZINC000038039893 174039479 /nfs/dbraw/zinc/03/94/79/174039479.db2.gz QPVHWURSSKGESQ-UHFFFAOYSA-N 0 0 254.324 4.072 10 0 CIAERN CSc1cccc(Nc2c(F)cc(N)cc2F)c1 ZINC000038039947 174039752 /nfs/dbraw/zinc/03/97/52/174039752.db2.gz ZQGYMVZKMVHBQW-UHFFFAOYSA-N 0 0 266.316 4.013 10 0 CIAERN Nc1cc(F)c(Nc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000038039960 174039780 /nfs/dbraw/zinc/03/97/80/174039780.db2.gz HTIKZLLPQOQBQS-UHFFFAOYSA-N 0 0 288.219 4.309 10 0 CIAERN Nc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1 ZINC000038040392 174040269 /nfs/dbraw/zinc/04/02/69/174040269.db2.gz AEEWKIQIPMNIBZ-UHFFFAOYSA-N 0 0 273.641 4.132 10 0 CIAERN Cc1ccc(Sc2c(F)cc(N)cc2F)c(C)c1 ZINC000038040406 174040300 /nfs/dbraw/zinc/04/03/00/174040300.db2.gz LEPIGVSYQCOSLH-UHFFFAOYSA-N 0 0 265.328 4.315 10 0 CIAERN Nc1cc(F)c(Sc2ccc(Cl)cc2)c(F)c1 ZINC000038040395 174040372 /nfs/dbraw/zinc/04/03/72/174040372.db2.gz RHUQHPHJHKHHTH-UHFFFAOYSA-N 0 0 271.719 4.352 10 0 CIAERN Cc1cc(Cl)ccc1Oc1c(F)cc(N)cc1F ZINC000038040284 174040399 /nfs/dbraw/zinc/04/03/99/174040399.db2.gz VUGBFZICIUSLNK-UHFFFAOYSA-N 0 0 269.678 4.301 10 0 CIAERN Cc1ccc(-c2ccccc2OC(F)(F)F)cc1N ZINC000038069042 174080673 /nfs/dbraw/zinc/08/06/73/174080673.db2.gz VKMKORKZTGOFOB-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN COc1ccc(-c2cccc(Cl)c2Cl)cc1C=O ZINC000038069586 174080965 /nfs/dbraw/zinc/08/09/65/174080965.db2.gz GTKXQZMTWSGZFY-UHFFFAOYSA-N 0 0 281.138 4.482 10 0 CIAERN Nc1ncc(-c2ccc(-c3ccccc3)cc2)s1 ZINC000038069227 174081023 /nfs/dbraw/zinc/08/10/23/174081023.db2.gz LJUNORUICLNCMP-UHFFFAOYSA-N 0 0 252.342 4.059 10 0 CIAERN O=Cc1ccc(F)c(-c2ccc3ccccc3c2)c1 ZINC000038069686 174081048 /nfs/dbraw/zinc/08/10/48/174081048.db2.gz HLBOLJREWACHFD-UHFFFAOYSA-N 0 0 250.272 4.458 10 0 CIAERN CCC(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038069574 174081089 /nfs/dbraw/zinc/08/10/89/174081089.db2.gz MHUDYUFZFNTJTR-UHFFFAOYSA-N 0 0 253.345 4.012 10 0 CIAERN O=Cc1cc(-c2ccc3ccccc3c2)ccc1F ZINC000038069685 174081205 /nfs/dbraw/zinc/08/12/05/174081205.db2.gz IVKMBMDVPDRJOC-UHFFFAOYSA-N 0 0 250.272 4.458 10 0 CIAERN CC(O)(c1ccccc1Cl)c1ccccc1Cl ZINC000038078279 174088169 /nfs/dbraw/zinc/08/81/69/174088169.db2.gz VWWXINCWNPJTHX-UHFFFAOYSA-N 0 0 267.155 4.249 10 0 CIAERN O[C@H](Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000038078409 174088517 /nfs/dbraw/zinc/08/85/17/174088517.db2.gz UAZAXXIFEBUNGP-CQSZACIVSA-N 0 0 267.155 4.270 10 0 CIAERN CCOc1ccc(CSc2ccc(O)cc2)cc1 ZINC000038078952 174088820 /nfs/dbraw/zinc/08/88/20/174088820.db2.gz DUBUOGYBKQCSIA-UHFFFAOYSA-N 0 0 260.358 4.083 10 0 CIAERN c1c(-c2ccc(-c3ccccc3)cc2)nc2ncccn12 ZINC000038303521 174138890 /nfs/dbraw/zinc/13/88/90/174138890.db2.gz WNRJVASEOUYOEP-UHFFFAOYSA-N 0 0 271.323 4.063 10 0 CIAERN c1cc(C2SCCS2)ccc1O[C@@H]1CCCCO1 ZINC000038341092 174140060 /nfs/dbraw/zinc/14/00/60/174140060.db2.gz ZMSOBXKRDPKAHT-CYBMUJFWSA-N 0 0 282.430 4.071 10 0 CIAERN CC(C)c1cccc2c1C(=O)CN(Cc1ccccc1)C2 ZINC000038337487 174140405 /nfs/dbraw/zinc/14/04/05/174140405.db2.gz ZPFFZFOSPFBFGR-UHFFFAOYSA-N 0 0 279.383 4.009 10 0 CIAERN CC(C)c1ccc2c(c1)OC(C)(C)C[C@]2(O)C(C)C ZINC000038611741 174149191 /nfs/dbraw/zinc/14/91/91/174149191.db2.gz CBBXPPAYCJSBPI-KRWDZBQOSA-N 0 0 262.393 4.215 10 0 CIAERN Cc1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963689 174179581 /nfs/dbraw/zinc/17/95/81/174179581.db2.gz AUWXQJAZIQCBGZ-UHFFFAOYSA-N 0 0 252.292 4.426 10 0 CIAERN FC(F)(F)c1cccc2c(NCc3ccco3)ccnc21 ZINC000039963831 174179710 /nfs/dbraw/zinc/17/97/10/174179710.db2.gz BUDFULRKVHLUNR-UHFFFAOYSA-N 0 0 292.260 4.459 10 0 CIAERN CC(=O)c1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963691 174179794 /nfs/dbraw/zinc/17/97/94/174179794.db2.gz DRPNHWAMKHZEQH-UHFFFAOYSA-N 0 0 280.302 4.320 10 0 CIAERN Cc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000040165879 174197417 /nfs/dbraw/zinc/19/74/17/174197417.db2.gz QPFKSJXBGPJZMF-UHFFFAOYSA-N 0 0 297.741 4.416 10 0 CIAERN Cc1nc2ccccc2n1CCCOc1c(C)cccc1C ZINC000040224670 174207871 /nfs/dbraw/zinc/20/78/71/174207871.db2.gz KIKWAYRRILWXQO-UHFFFAOYSA-N 0 0 294.398 4.431 10 0 CIAERN CCc1nc2ccccc2n1CCCOc1ccccc1C ZINC000040227385 174208822 /nfs/dbraw/zinc/20/88/22/174208822.db2.gz YWHQXWPYLKSHIV-UHFFFAOYSA-N 0 0 294.398 4.376 10 0 CIAERN Fc1cccc(NCc2nc3ccccc3s2)c1F ZINC000040230498 174210097 /nfs/dbraw/zinc/21/00/97/174210097.db2.gz ONIRYTOWOZYVAL-UHFFFAOYSA-N 0 0 276.311 4.187 10 0 CIAERN COCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040231980 174210591 /nfs/dbraw/zinc/21/05/91/174210591.db2.gz PKCCABVFXJRUEX-UHFFFAOYSA-N 0 0 294.398 4.156 10 0 CIAERN COc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040244105 174214346 /nfs/dbraw/zinc/21/43/46/174214346.db2.gz NYWSNOWCNNBPRP-AWEZNQCLSA-N 0 0 283.154 4.084 10 0 CIAERN CC[C@H](C)c1ccc([C@H](O)c2ccccc2F)cc1 ZINC000040246677 174214918 /nfs/dbraw/zinc/21/49/18/174214918.db2.gz ARBWWPMZORCRKQ-SJCJKPOMSA-N 0 0 258.336 4.421 10 0 CIAERN CC(C)(C)c1ccc([C@@H](O)Cc2ccccc2)cc1 ZINC000040254220 174216071 /nfs/dbraw/zinc/21/60/71/174216071.db2.gz SBADVOOUYMYNPM-KRWDZBQOSA-N 0 0 254.373 4.260 10 0 CIAERN CCOCCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040389515 174252417 /nfs/dbraw/zinc/25/24/17/174252417.db2.gz HEKSVYNORHUSAX-UHFFFAOYSA-N 0 0 294.398 4.438 10 0 CIAERN COCCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040404676 174253837 /nfs/dbraw/zinc/25/38/37/174253837.db2.gz QJWDHODIGYNFOR-UHFFFAOYSA-N 0 0 292.810 4.384 10 0 CIAERN Cn1c2ccc(C(F)(F)F)cc2nc1Cc1ccccc1 ZINC000040410255 174254551 /nfs/dbraw/zinc/25/45/51/174254551.db2.gz ILVYFXAQEPVTTL-UHFFFAOYSA-N 0 0 290.288 4.183 10 0 CIAERN Cc1ccccc1-c1nc2ccc(Cl)cc2n1C ZINC000040417054 174255906 /nfs/dbraw/zinc/25/59/06/174255906.db2.gz XAYOQRRANGLFAR-UHFFFAOYSA-N 0 0 256.736 4.202 10 0 CIAERN CCn1c(COc2ccc(C)cc2C)nc2ccccc21 ZINC000040417115 174255942 /nfs/dbraw/zinc/25/59/42/174255942.db2.gz ZBMGPPYASCYKIF-UHFFFAOYSA-N 0 0 280.371 4.252 10 0 CIAERN Cc1ccccc1-c1nc2cc(Cl)ccc2n1C ZINC000040417055 174255981 /nfs/dbraw/zinc/25/59/81/174255981.db2.gz CKPMSBAPUWBTEY-UHFFFAOYSA-N 0 0 256.736 4.202 10 0 CIAERN Cn1c2ccc(Cl)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417046 174255990 /nfs/dbraw/zinc/25/59/90/174255990.db2.gz KICSNKPAAPUJSL-UHFFFAOYSA-N 0 0 291.181 4.471 10 0 CIAERN Cc1[nH]c2ccc(C(=O)Nc3cccnc3Cl)cc2c1C ZINC000040429767 174259523 /nfs/dbraw/zinc/25/95/23/174259523.db2.gz YBPISXCTLJTTEC-UHFFFAOYSA-N 0 0 299.761 4.085 10 0 CIAERN CCOc1ccccc1-c1nc2ccccc2n1CC ZINC000040566025 174337680 /nfs/dbraw/zinc/33/76/80/174337680.db2.gz VDCQNFLVVPSKDK-UHFFFAOYSA-N 0 0 266.344 4.122 10 0 CIAERN CCCc1nn2cc(-c3ccccc3Cl)nc2s1 ZINC000040963637 174440499 /nfs/dbraw/zinc/44/04/99/174440499.db2.gz RLCLFRHHCBOZPI-UHFFFAOYSA-N 0 0 277.780 4.064 10 0 CIAERN Cc1ccc(C(=O)Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000041057751 174465358 /nfs/dbraw/zinc/46/53/58/174465358.db2.gz URWDWOHORNFECY-UHFFFAOYSA-N 0 0 296.757 4.449 10 0 CIAERN CC[C@H](C)c1ccc(C(=O)c2ccccc2N)cc1 ZINC000041323557 174520337 /nfs/dbraw/zinc/52/03/37/174520337.db2.gz UJHDFHZLNMFUIQ-LBPRGKRZSA-N 0 0 253.345 4.013 10 0 CIAERN Cc1ccc(NCCOc2ccc(C)c(C)c2)c(C)c1 ZINC000041390207 174544691 /nfs/dbraw/zinc/54/46/91/174544691.db2.gz BQDGXCZHDHIXDB-UHFFFAOYSA-N 0 0 269.388 4.411 10 0 CIAERN C[C@H](O)c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000041436414 174552799 /nfs/dbraw/zinc/55/27/99/174552799.db2.gz VUCZVBNOWMTYGX-JTQLQIEISA-N 0 0 280.726 4.111 10 0 CIAERN COc1cc(Cl)c(C)cc1NCCOc1ccccc1 ZINC000041481300 174559941 /nfs/dbraw/zinc/55/99/41/174559941.db2.gz QGCDMJJLDOEAHU-UHFFFAOYSA-N 0 0 291.778 4.148 10 0 CIAERN OC[C@H](Cc1cccc(Cl)c1)Cc1ccccc1Cl ZINC000041484684 174561034 /nfs/dbraw/zinc/56/10/34/174561034.db2.gz IBZNYIUIJYIWGN-CYBMUJFWSA-N 0 0 295.209 4.387 10 0 CIAERN CC(C)c1nc2cc(Cl)cc(Br)c2o1 ZINC000041569358 174568268 /nfs/dbraw/zinc/56/82/68/174568268.db2.gz ULJVWIZFHPENQP-UHFFFAOYSA-N 0 0 274.545 4.367 10 0 CIAERN Cc1ccc(N[C@H](C)c2ccc(Cl)s2)c(N)c1 ZINC000042586285 174808246 /nfs/dbraw/zinc/80/82/46/174808246.db2.gz GGNYOVMUCRNVLO-SECBINFHSA-N 0 0 266.797 4.465 10 0 CIAERN CCCCN(c1ccc(F)cc1[C@@H](C)O)[C@@H](C)CC ZINC000042608536 174820972 /nfs/dbraw/zinc/82/09/72/174820972.db2.gz VJYAVFCKWQXGDU-QWHCGFSZSA-N 0 0 267.388 4.284 10 0 CIAERN Cc1ccsc1[C@H](O)c1cc2c(s1)CCCCC2 ZINC000042731083 174859444 /nfs/dbraw/zinc/85/94/44/174859444.db2.gz ASTZOXNCMYNMAE-CQSZACIVSA-N 0 0 278.442 4.469 10 0 CIAERN COc1ccc(C)cc1NCc1cccc(C)c1C ZINC000043304738 175003257 /nfs/dbraw/zinc/00/32/57/175003257.db2.gz VBCJJHKJASXLNN-UHFFFAOYSA-N 0 0 255.361 4.233 10 0 CIAERN CCc1cccc(NCc2ccc(O)c(Cl)c2)c1 ZINC000043476933 175054548 /nfs/dbraw/zinc/05/45/48/175054548.db2.gz AZBYCDADTHPPCQ-UHFFFAOYSA-N 0 0 261.752 4.220 10 0 CIAERN CSc1cccc(NCc2ccc(O)c(Cl)c2)c1 ZINC000043476657 175054984 /nfs/dbraw/zinc/05/49/84/175054984.db2.gz OTAMTPJZNQLPPE-UHFFFAOYSA-N 0 0 279.792 4.380 10 0 CIAERN CC(C)Oc1ccccc1NCc1ccc(O)c(Cl)c1 ZINC000043479675 175056014 /nfs/dbraw/zinc/05/60/14/175056014.db2.gz VVXDEZYDKLPQEZ-UHFFFAOYSA-N 0 0 291.778 4.445 10 0 CIAERN FC(F)(F)c1cc(-c2cc[nH]n2)cc(C(F)(F)F)c1 ZINC000043513213 175061618 /nfs/dbraw/zinc/06/16/18/175061618.db2.gz HRBJMDVPHVEWNY-UHFFFAOYSA-N 0 0 280.171 4.114 10 0 CIAERN CCN(c1ccccc1)c1ccc(N)cc1Br ZINC000043596461 175076732 /nfs/dbraw/zinc/07/67/32/175076732.db2.gz GPGTWYNQGPDPLK-UHFFFAOYSA-N 0 0 291.192 4.189 10 0 CIAERN CCc1ccc(C(=O)c2ccc(CC)s2)s1 ZINC000043639678 175084028 /nfs/dbraw/zinc/08/40/28/175084028.db2.gz NBYGWWPAVIEAOS-UHFFFAOYSA-N 0 0 250.388 4.165 10 0 CIAERN CCc1ccc([C@@H](O)c2ccc(Cl)s2)s1 ZINC000043640399 175084847 /nfs/dbraw/zinc/08/48/47/175084847.db2.gz IQKKYWIAGGBCPE-LLVKDONJSA-N 0 0 258.795 4.107 10 0 CIAERN O=C1CCCCC[C@H]1Cc1ccc(Br)s1 ZINC000043650023 175085295 /nfs/dbraw/zinc/08/52/95/175085295.db2.gz DLFMAKMCXAUHNY-VIFPVBQESA-N 0 0 287.222 4.203 10 0 CIAERN Cc1nn([C@@H](CC(C)C)c2ccccc2)c(N)c1Cl ZINC000043667456 175086577 /nfs/dbraw/zinc/08/65/77/175086577.db2.gz QMJHOELNTZMYME-ZDUSSCGKSA-N 0 0 277.799 4.063 10 0 CIAERN CC(C)CCCOCc1sccc1Br ZINC000043679697 175090704 /nfs/dbraw/zinc/09/07/04/175090704.db2.gz SUTKJDJBJJUJKS-UHFFFAOYSA-N 0 0 277.227 4.463 10 0 CIAERN O=C(CCc1cc(Br)cs1)c1ccccc1 ZINC000043687974 175094915 /nfs/dbraw/zinc/09/49/15/175094915.db2.gz JQZRUZQPFNOJMR-UHFFFAOYSA-N 0 0 295.201 4.326 10 0 CIAERN Fc1ccc(-c2csc(Br)c2)cc1 ZINC000044121030 175143019 /nfs/dbraw/zinc/14/30/19/175143019.db2.gz QGHSRGBCUWVWQP-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN CCCC[C@@H]1C[C@]1(Br)[C@@H](O)c1ccccc1 ZINC000044676030 175227108 /nfs/dbraw/zinc/22/71/08/175227108.db2.gz HHUABOVBWUINQY-HZSPNIEDSA-N 0 0 283.209 4.064 10 0 CIAERN Cc1nc2ccccc2c(OCc2ccccc2)c1C ZINC000044857663 175266364 /nfs/dbraw/zinc/26/63/64/175266364.db2.gz KNEGRICRHBMMPI-UHFFFAOYSA-N 0 0 263.340 4.431 10 0 CIAERN Cc1nc2ccc3cnc(Nc4ccccc4)nc3c2s1 ZINC000045337705 175360582 /nfs/dbraw/zinc/36/05/82/175360582.db2.gz DZTKJPVNRWPJLO-UHFFFAOYSA-N 0 0 292.367 4.292 10 0 CIAERN Cc1cc(NC2CCCC2)nc(Nc2ccccc2F)n1 ZINC000045337812 175360938 /nfs/dbraw/zinc/36/09/38/175360938.db2.gz DRLAZKBJEPCMTH-UHFFFAOYSA-N 0 0 286.354 4.022 10 0 CIAERN Fc1c(Cl)cccc1Nc1nc2c(c(Cl)n1)CCC2 ZINC000057343312 175592964 /nfs/dbraw/zinc/59/29/64/175592964.db2.gz SERHFTKFJLIFGC-UHFFFAOYSA-N 0 0 298.148 4.155 10 0 CIAERN COc1ccc(-c2ccc(Cl)c(Cl)c2)cc1O ZINC000065342788 175712619 /nfs/dbraw/zinc/71/26/19/175712619.db2.gz KAMZHMQVOQLMKU-UHFFFAOYSA-N 0 0 269.127 4.375 10 0 CIAERN Oc1ccc(Cl)c(-c2cc(O)cc(C(F)(F)F)c2)c1 ZINC000065344236 175713912 /nfs/dbraw/zinc/71/39/12/175713912.db2.gz WDFKNADTDNQQKE-UHFFFAOYSA-N 0 0 288.652 4.437 10 0 CIAERN Cc1cccc(Sc2ncccc2Br)c1 ZINC000071108062 176033958 /nfs/dbraw/zinc/03/39/58/176033958.db2.gz HGDLYCXHFMDZDH-UHFFFAOYSA-N 0 0 280.190 4.304 10 0 CIAERN Cc1cc(Br)ccc1OC1CCCCC1 ZINC000071136822 176036264 /nfs/dbraw/zinc/03/62/64/176036264.db2.gz AOKLNTRKXGFQSQ-UHFFFAOYSA-N 0 0 269.182 4.469 10 0 CIAERN Cc1ccc(Oc2nnc(Cl)c(C)c2C)cc1C ZINC000071170766 176051469 /nfs/dbraw/zinc/05/14/69/176051469.db2.gz JDWZDLLCPVVECJ-UHFFFAOYSA-N 0 0 262.740 4.156 10 0 CIAERN Cc1cc(C)cc(N(C)c2nnc(Cl)c(C)c2C)c1 ZINC000071187024 176060403 /nfs/dbraw/zinc/06/04/03/176060403.db2.gz PQBLCQJNEFQRFU-UHFFFAOYSA-N 0 0 275.783 4.132 10 0 CIAERN Cc1c(C)c(Sc2ccc(F)c(F)c2)nnc1Cl ZINC000071187199 176060744 /nfs/dbraw/zinc/06/07/44/176060744.db2.gz RNINNIGYKHELBG-UHFFFAOYSA-N 0 0 286.734 4.176 10 0 CIAERN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)s1 ZINC000071214702 176086090 /nfs/dbraw/zinc/08/60/90/176086090.db2.gz OZAQWKYBTMMTHR-UHFFFAOYSA-N 0 0 292.791 4.012 10 0 CIAERN Fc1cc(Cl)c(Br)c(C(F)(F)F)c1 ZINC000071254481 176095454 /nfs/dbraw/zinc/09/54/54/176095454.db2.gz KBNXXGGLHJNRDH-UHFFFAOYSA-N 0 0 277.442 4.260 10 0 CIAERN Nc1sc2c(c1C(=O)c1ccccc1)CCCCCC2 ZINC000071332700 176125751 /nfs/dbraw/zinc/12/57/51/176125751.db2.gz FYFFGISRQPBPCJ-UHFFFAOYSA-N 0 0 285.412 4.220 10 0 CIAERN O=Cc1ccc(OCc2cccs2)c(C(F)(F)F)c1 ZINC000071399039 176151796 /nfs/dbraw/zinc/15/17/96/176151796.db2.gz RPXCDNHLAZIIPC-UHFFFAOYSA-N 0 0 286.274 4.158 10 0 CIAERN Cc1ccncc1N[C@@H]1CCSc2ccccc21 ZINC000071413269 176158491 /nfs/dbraw/zinc/15/84/91/176158491.db2.gz IVDRGTQQOFMKMO-CYBMUJFWSA-N 0 0 256.374 4.039 10 0 CIAERN Cc1ccncc1N[C@H](C)c1ccc(Br)cc1 ZINC000071413239 176158626 /nfs/dbraw/zinc/15/86/26/176158626.db2.gz NJVZEINATSSRRC-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN Cc1ccc2c(CO)c(Cl)n(Cc3ccccc3)c2c1C ZINC000071465645 176181817 /nfs/dbraw/zinc/18/18/17/176181817.db2.gz PNSVVBUTXLIHPV-UHFFFAOYSA-N 0 0 299.801 4.452 10 0 CIAERN Cc1cc2nc(Cl)c(C3CCCC3)c(Cl)n2n1 ZINC000071476534 176187260 /nfs/dbraw/zinc/18/72/60/176187260.db2.gz KHDUWFKFZPIAEO-UHFFFAOYSA-N 0 0 270.163 4.002 10 0 CIAERN COc1c(Br)ccc2ccc(Cl)cc21 ZINC000071477646 176187436 /nfs/dbraw/zinc/18/74/36/176187436.db2.gz AADGIUDZRZEFQU-UHFFFAOYSA-N 0 0 271.541 4.264 10 0 CIAERN C=Cc1ccc(CO[C@](F)(C(F)F)C(F)(F)F)cc1 ZINC000071602840 176228530 /nfs/dbraw/zinc/22/85/30/176228530.db2.gz CLSJJYHEGNASDC-LLVKDONJSA-N 0 0 284.199 4.339 10 0 CIAERN Cc1ccc(Nc2ccccc2N)cc1Br ZINC000071627854 176236389 /nfs/dbraw/zinc/23/63/89/176236389.db2.gz RISHTSKVAGIHSI-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN C[C@@H]1C[C@@H]1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000072095012 176314981 /nfs/dbraw/zinc/31/49/81/176314981.db2.gz XCXOVDRAPKVJBU-XOKHGSTOSA-N 0 0 297.423 4.045 10 0 CIAERN Brc1cc2scc(Br)c2s1 ZINC000072188014 176335972 /nfs/dbraw/zinc/33/59/72/176335972.db2.gz DOXWISNBDAHQBD-UHFFFAOYSA-N 0 0 298.024 4.488 10 0 CIAERN Brc1cc(Br)cc(C2CC2)c1 ZINC000072193355 176336652 /nfs/dbraw/zinc/33/66/52/176336652.db2.gz IGWUDPMRDNUVBS-UHFFFAOYSA-N 0 0 275.971 4.089 10 0 CIAERN Brc1nc(-c2ccsc2)nc2ccccc12 ZINC000072192242 176336782 /nfs/dbraw/zinc/33/67/82/176336782.db2.gz BPQWTEOONILXPF-UHFFFAOYSA-N 0 0 291.173 4.121 10 0 CIAERN Brc1nc(C2CCCC2)nc2ccccc12 ZINC000072192216 176336813 /nfs/dbraw/zinc/33/68/13/176336813.db2.gz FYSJMPSVYVQIFC-UHFFFAOYSA-N 0 0 277.165 4.050 10 0 CIAERN Cc1cc2sc(-c3ccc(N)c(C)c3)nc2c(C)c1 ZINC000073635417 176479921 /nfs/dbraw/zinc/47/99/21/176479921.db2.gz ULMIHUDGVZOBII-UHFFFAOYSA-N 0 0 268.385 4.471 10 0 CIAERN CC(C)(C)OCc1c(F)ccc(Br)c1F ZINC000075915387 176829806 /nfs/dbraw/zinc/82/98/06/176829806.db2.gz CGQYKMYAHQCBNC-UHFFFAOYSA-N 0 0 279.124 4.042 10 0 CIAERN Cc1cc(Oc2ccc(Cl)c(Cl)c2)ncc1N ZINC000076401677 177017386 /nfs/dbraw/zinc/01/73/86/177017386.db2.gz SKXWYLHWOYRDKO-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Clc1ccc2c(c1)NC1(CN2)CCCCCC1 ZINC000076861278 177124594 /nfs/dbraw/zinc/12/45/94/177124594.db2.gz OMNHLOQDTAXBFG-UHFFFAOYSA-N 0 0 250.773 4.270 10 0 CIAERN Cc1ccc(C)c(SCc2nccn2C(C)C)c1 ZINC000171677734 335074123 /nfs/dbraw/zinc/07/41/23/335074123.db2.gz MMAVNGUXAZRIQB-UHFFFAOYSA-N 0 0 260.406 4.373 10 0 CIAERN Fc1ccc([C@H]2C[C@H]2c2nc(-c3ccccc3)no2)cc1F ZINC000171777713 335079318 /nfs/dbraw/zinc/07/93/18/335079318.db2.gz YZWDJKCMMQDRSQ-CHWSQXEVSA-N 0 0 298.292 4.286 10 0 CIAERN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](C(F)(F)F)C2)o1 ZINC000179622026 260058597 /nfs/dbraw/zinc/05/85/97/260058597.db2.gz POCSYXBGNKIHBZ-NTZNESFSSA-N 0 0 287.325 4.177 10 0 CIAERN CCc1nc(C)cc(N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000306055036 260114377 /nfs/dbraw/zinc/11/43/77/260114377.db2.gz QRYRWQBAYVFIRK-VIFPVBQESA-N 0 0 281.812 4.235 10 0 CIAERN CC(C)c1nn(C)cc1N[C@@H](c1ccccc1)C1CC1 ZINC000312501032 260132786 /nfs/dbraw/zinc/13/27/86/260132786.db2.gz ZVDUVXAEFZWQRN-KRWDZBQOSA-N 0 0 269.392 4.107 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccccc1Br)c1ccco1 ZINC000035738993 260152893 /nfs/dbraw/zinc/15/28/93/260152893.db2.gz LBDJTMPPRVOEIP-WDEREUQCSA-N 0 0 294.192 4.454 10 0 CIAERN COc1cc(C)nc(CNc2ccccc2C(C)C)c1 ZINC000214107776 260231232 /nfs/dbraw/zinc/23/12/32/260231232.db2.gz WBJVOQRIKQZJCK-UHFFFAOYSA-N 0 0 270.376 4.134 10 0 CIAERN COC[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000234759286 260377032 /nfs/dbraw/zinc/37/70/32/260377032.db2.gz QLLBMMOPZDWDLD-HNNXBMFYSA-N 0 0 261.752 4.140 10 0 CIAERN CCOc1cccc(N[C@H](C)c2c(C)nn(CC)c2C)c1 ZINC000045171730 260650160 /nfs/dbraw/zinc/65/01/60/260650160.db2.gz SGZBFPSLPHABBL-GFCCVEGCSA-N 0 0 287.407 4.092 10 0 CIAERN COc1ccc2c(c1)[C@@H](Nc1ccccc1C)CC2 ZINC000092835460 261058934 /nfs/dbraw/zinc/05/89/34/261058934.db2.gz XDISCZSTKSUQMM-KRWDZBQOSA-N 0 0 253.345 4.103 10 0 CIAERN Cc1ccc([C@H](C)N[C@@H](C)c2cccnc2Cl)o1 ZINC000158122403 261158929 /nfs/dbraw/zinc/15/89/29/261158929.db2.gz GFCKXIFFOXTBDW-QWRGUYRKSA-N 0 0 264.756 4.048 10 0 CIAERN CC(C)n1ccnc1CS[C@H](C)c1ccccc1 ZINC000175275227 261217970 /nfs/dbraw/zinc/21/79/70/261217970.db2.gz PTPDYCFCRWGRFT-CYBMUJFWSA-N 0 0 260.406 4.458 10 0 CIAERN C[C@@H](N(C)C(=O)N[C@@H](C)c1cccc(Cl)c1)C1(C)CC1 ZINC000176348631 261278349 /nfs/dbraw/zinc/27/83/49/261278349.db2.gz NIXWBTFQORIPHF-NWDGAFQWSA-N 0 0 294.826 4.231 10 0 CIAERN Cc1ccc(Br)c(N[C@H](C)c2cncs2)c1 ZINC000163064720 261304821 /nfs/dbraw/zinc/30/48/21/261304821.db2.gz XAWZDILHXGADCQ-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN C[C@H](CNc1ccc(Br)cn1)c1cccs1 ZINC000301391533 261334648 /nfs/dbraw/zinc/33/46/48/261334648.db2.gz ZUGKPBKHDIMNSF-SECBINFHSA-N 0 0 297.221 4.121 10 0 CIAERN Cc1cnc(N[C@@H](C)c2cccc(Cl)c2)s1 ZINC000302129346 261347426 /nfs/dbraw/zinc/34/74/26/261347426.db2.gz GHVWQADPSDQLNC-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN CC(C)CC(C)(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000177581633 261363318 /nfs/dbraw/zinc/36/33/18/261363318.db2.gz KFUYKUPOFLLVJA-NEPJUHHUSA-N 0 0 293.373 4.296 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)c2ccc(Cl)s2)o1 ZINC000175483943 261609980 /nfs/dbraw/zinc/60/99/80/261609980.db2.gz YGRPEOYYKOAZLW-NXEZZACHSA-N 0 0 297.807 4.284 10 0 CIAERN C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1cccs1 ZINC000179546742 261795184 /nfs/dbraw/zinc/79/51/84/261795184.db2.gz GUWYVWQRFFCIDK-WBMJQRKESA-N 0 0 285.412 4.119 10 0 CIAERN COCCC[C@H](C)C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000182225146 261930302 /nfs/dbraw/zinc/93/03/02/261930302.db2.gz MVEQJDIYDMSBNC-LSDHHAIUSA-N 0 0 291.435 4.050 10 0 CIAERN Cc1cccc([C@H](C)SCc2nnc(C(C)C)n2C)c1 ZINC000182356221 261935360 /nfs/dbraw/zinc/93/53/60/261935360.db2.gz ICXHNMPJOKMQGS-ZDUSSCGKSA-N 0 0 289.448 4.241 10 0 CIAERN COc1ccsc1[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000186083119 262079215 /nfs/dbraw/zinc/07/92/15/262079215.db2.gz NHZLPILQYZCMAS-GHMZBOCLSA-N 0 0 265.378 4.070 10 0 CIAERN c1ccc(COc2ccccc2CNc2ccccn2)cc1 ZINC000019778105 262193968 /nfs/dbraw/zinc/19/39/68/262193968.db2.gz WHQAABYBLUJZNI-UHFFFAOYSA-N 0 0 290.366 4.273 10 0 CIAERN Cc1sc2nc(C)nc(N[C@H](C)C(C)C)c2c1C ZINC000311190194 262202854 /nfs/dbraw/zinc/20/28/54/262202854.db2.gz FCHFPSHYPLZSSF-SECBINFHSA-N 0 0 263.410 4.073 10 0 CIAERN COc1ccc(C)cc1NCc1ccc2ncccc2c1 ZINC000020248158 262244355 /nfs/dbraw/zinc/24/43/55/262244355.db2.gz NHRWKHAPIQXCCY-UHFFFAOYSA-N 0 0 278.355 4.164 10 0 CIAERN Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000221733153 262292909 /nfs/dbraw/zinc/29/29/09/262292909.db2.gz FPJLCFDWJFLIHE-ZIAGYGMSSA-N 0 0 272.367 4.249 10 0 CIAERN Clc1cc(N[C@@H]2CCSc3ccccc32)ccn1 ZINC000129841769 264339770 /nfs/dbraw/zinc/33/97/70/264339770.db2.gz ANIAXYLOVIDVPH-GFCCVEGCSA-N 0 0 276.792 4.384 10 0 CIAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1cscn1 ZINC000165519873 264393415 /nfs/dbraw/zinc/39/34/15/264393415.db2.gz MCSDMKHWTXBRGX-QMMMGPOBSA-N 0 0 272.295 4.335 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2sccc2C)c1 ZINC000094854598 265258129 /nfs/dbraw/zinc/25/81/29/265258129.db2.gz JRGCMPKWYJDILD-JTQLQIEISA-N 0 0 265.353 4.377 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000094854424 265258299 /nfs/dbraw/zinc/25/82/99/265258299.db2.gz RUWBJZIWPRSFIU-JTQLQIEISA-N 0 0 263.287 4.147 10 0 CIAERN C[C@H](CC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116049256 267121017 /nfs/dbraw/zinc/12/10/17/267121017.db2.gz ZCCBFONIOQUYIY-GDBMZVCRSA-N 0 0 283.371 4.137 10 0 CIAERN O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1ccco1 ZINC000116044999 267121207 /nfs/dbraw/zinc/12/12/07/267121207.db2.gz ONMHRVSAWRORBA-ZDUSSCGKSA-N 0 0 293.725 4.049 10 0 CIAERN Cc1ccc(F)c(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116477124 267152993 /nfs/dbraw/zinc/15/29/93/267152993.db2.gz QRSBATUELNENKE-AWEZNQCLSA-N 0 0 288.322 4.096 10 0 CIAERN Cc1nc(CN[C@H]2c3ccccc3CCC2(C)C)oc1C ZINC000183129639 327758048 /nfs/dbraw/zinc/75/80/48/327758048.db2.gz RXEMWOWOEHOJDB-KRWDZBQOSA-N 0 0 284.403 4.095 10 0 CIAERN C[C@H](NCc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000178610931 327794952 /nfs/dbraw/zinc/79/49/52/327794952.db2.gz FBRGOJVDRGGVSJ-ZETCQYMHSA-N 0 0 292.351 4.074 10 0 CIAERN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)nc2)o1 ZINC000179096260 327799151 /nfs/dbraw/zinc/79/91/51/327799151.db2.gz KGXHJQBWGPTJLJ-QWRGUYRKSA-N 0 0 264.756 4.048 10 0 CIAERN Cc1cc(C(=O)N[C@@H](C)c2ccccc2Cl)ccc1F ZINC000063060404 327919070 /nfs/dbraw/zinc/91/90/70/327919070.db2.gz OWGHKXTVYADNAF-NSHDSACASA-N 0 0 291.753 4.279 10 0 CIAERN C[C@H](Nc1ccc(F)cn1)c1cccc(Cl)c1 ZINC000041075063 328026312 /nfs/dbraw/zinc/02/63/12/328026312.db2.gz UZLPPZAVZLBPEK-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN CCc1ccc([C@@H](C)Nc2cn(C)nc2C(C)C)s1 ZINC000388747736 328209909 /nfs/dbraw/zinc/20/99/09/328209909.db2.gz ZOSYUVBSOLZDCE-LLVKDONJSA-N 0 0 277.437 4.341 10 0 CIAERN CC[C@@H](C)c1noc(-c2ccc3ccccc3c2O)n1 ZINC000111686668 328374461 /nfs/dbraw/zinc/37/44/61/328374461.db2.gz DHSLOMWKNUHHEB-SNVBAGLBSA-N 0 0 268.316 4.109 10 0 CIAERN Cc1cnc([C@H](C)NCc2cc(Cl)cc(Cl)c2)o1 ZINC000227556515 329327345 /nfs/dbraw/zinc/32/73/45/329327345.db2.gz ORKKIJSTSYBGLK-VIFPVBQESA-N 0 0 285.174 4.141 10 0 CIAERN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)c(OC)c1 ZINC000036922109 326831182 /nfs/dbraw/zinc/83/11/82/326831182.db2.gz JDBIFYLNBCVAGC-OLZOCXBDSA-N 0 0 289.375 4.017 10 0 CIAERN Cc1nn(C)cc1[C@@H](C)Nc1cc(C(F)(F)F)ccc1C ZINC000091479016 327170972 /nfs/dbraw/zinc/17/09/72/327170972.db2.gz UNOAFCPYHCETEZ-SNVBAGLBSA-N 0 0 297.324 4.229 10 0 CIAERN FC(F)(F)c1ccc(N[C@H]2CCOc3ccccc32)nc1 ZINC000047915289 327276200 /nfs/dbraw/zinc/27/62/00/327276200.db2.gz CZYTZPOYITWUAK-LBPRGKRZSA-N 0 0 294.276 4.036 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)cc1F ZINC000088235263 327290420 /nfs/dbraw/zinc/29/04/20/327290420.db2.gz MPVWZHIGJYTAQJ-LBPRGKRZSA-N 0 0 296.345 4.106 10 0 CIAERN C[C@@H](NC(=O)[C@@H](C)CC1CCCC1)c1cccs1 ZINC000172088840 327480090 /nfs/dbraw/zinc/48/00/90/327480090.db2.gz KGFKELQZVGUSNI-NWDGAFQWSA-N 0 0 265.422 4.142 10 0 CIAERN C[C@@H](NC(=O)Nc1nccs1)c1ccc2ccccc2c1 ZINC000042754612 328771930 /nfs/dbraw/zinc/77/19/30/328771930.db2.gz XOLSMPWYKPOPIU-LLVKDONJSA-N 0 0 297.383 4.179 10 0 CIAERN c1coc([C@H]2CCCN2Cc2nc3ccccc3s2)c1 ZINC000172030906 329083563 /nfs/dbraw/zinc/08/35/63/329083563.db2.gz SLEQXRAZQDSGHQ-CYBMUJFWSA-N 0 0 284.384 4.226 10 0 CIAERN COc1ccc2nc(N[C@H](C)c3cccc(O)c3)ccc2c1 ZINC000174720588 329160974 /nfs/dbraw/zinc/16/09/74/329160974.db2.gz QZWHJNDUFWDMFN-GFCCVEGCSA-N 0 0 294.354 4.122 10 0 CIAERN C[C@@H](Nc1ccnc2ccsc21)c1cccc(O)c1 ZINC000174719765 329161061 /nfs/dbraw/zinc/16/10/61/329161061.db2.gz IIJHJQCIDSZLBL-SNVBAGLBSA-N 0 0 270.357 4.175 10 0 CIAERN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000176205417 329172582 /nfs/dbraw/zinc/17/25/82/329172582.db2.gz JDPNXLLZLXCYIM-NEPJUHHUSA-N 0 0 299.399 4.210 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2c(C)oc3ccccc32)o1 ZINC000184944769 329265956 /nfs/dbraw/zinc/26/59/56/329265956.db2.gz UQEOEFLCTKGAQJ-NSHDSACASA-N 0 0 283.327 4.134 10 0 CIAERN C[C@@H]1CC(CNc2ncc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000582921960 329289121 /nfs/dbraw/zinc/28/91/21/329289121.db2.gz TXNPZJZXDMEHDS-RKDXNWHRSA-N 0 0 289.206 4.004 10 0 CIAERN Cc1cnc([C@@H](C)NCc2cc(Cl)cc(Cl)c2)o1 ZINC000227556510 329327453 /nfs/dbraw/zinc/32/74/53/329327453.db2.gz ORKKIJSTSYBGLK-SECBINFHSA-N 0 0 285.174 4.141 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(F)c2)o1 ZINC000127974192 329603725 /nfs/dbraw/zinc/60/37/25/329603725.db2.gz OYMDMZHCYIOKPF-OAHLLOKOSA-N 0 0 287.334 4.095 10 0 CIAERN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000134156079 329657532 /nfs/dbraw/zinc/65/75/32/329657532.db2.gz GJDCYQXFCRHGLW-XJKSGUPXSA-N 0 0 289.419 4.439 10 0 CIAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000138975373 329678445 /nfs/dbraw/zinc/67/84/45/329678445.db2.gz VLBMOJYLSVUQBY-BDAKNGLRSA-N 0 0 284.190 4.128 10 0 CIAERN C[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000247469467 329881064 /nfs/dbraw/zinc/88/10/64/329881064.db2.gz RSUKHSAOSZLRJA-RDBSUJKOSA-N 0 0 292.448 4.023 10 0 CIAERN Cc1ccccc1[C@H](NCc1ccco1)c1ccccc1 ZINC000105689627 330327854 /nfs/dbraw/zinc/32/78/54/330327854.db2.gz HRGNSYYRODWHNW-LJQANCHMSA-N 0 0 277.367 4.467 10 0 CIAERN CCc1ccc(N[C@@H](C)c2c(C)nn(CC)c2C)cc1 ZINC000045167655 330340649 /nfs/dbraw/zinc/34/06/49/330340649.db2.gz TXNISLDANBXKMZ-LBPRGKRZSA-N 0 0 271.408 4.255 10 0 CIAERN CC[C@H](Nc1c(F)c(F)nc(F)c1F)c1cccs1 ZINC000084693619 330362620 /nfs/dbraw/zinc/36/26/20/330362620.db2.gz XSTRYSXJYQNUMT-LURJTMIESA-N 0 0 290.285 4.263 10 0 CIAERN CC[C@@H](Nc1nc(C(C)C)ns1)c1cccs1 ZINC000087641335 330373879 /nfs/dbraw/zinc/37/38/79/330373879.db2.gz HGTQCIOTYOBIBH-SECBINFHSA-N 0 0 267.423 4.286 10 0 CIAERN O=Cc1cc(-c2c(F)cccc2Br)cs1 ZINC000536957767 330383663 /nfs/dbraw/zinc/38/36/63/330383663.db2.gz HGWYPNYBEZLFBH-UHFFFAOYSA-N 0 0 285.137 4.129 10 0 CIAERN O=C(Nc1cc(Cl)ccc1F)c1ccc2cc[nH]c2c1 ZINC000059006586 330395091 /nfs/dbraw/zinc/39/50/91/330395091.db2.gz ABFDYIXNQGYYQX-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN COCc1ccccc1N[C@@H](C)CCCC(F)(F)F ZINC000163263342 331012116 /nfs/dbraw/zinc/01/21/16/331012116.db2.gz IZUHNCKLZQSQJB-NSHDSACASA-N 0 0 275.314 4.366 10 0 CIAERN COCc1ccccc1N[C@H](C)CCCC(F)(F)F ZINC000163263471 331012211 /nfs/dbraw/zinc/01/22/11/331012211.db2.gz IZUHNCKLZQSQJB-LLVKDONJSA-N 0 0 275.314 4.366 10 0 CIAERN C[C@@H](Nc1ccc(N2CCCCC2)cc1)c1cncs1 ZINC000164966989 331305440 /nfs/dbraw/zinc/30/54/40/331305440.db2.gz HTYYKPYVBDXLFB-CYBMUJFWSA-N 0 0 287.432 4.307 10 0 CIAERN Clc1ccc2nc(NCc3cncs3)sc2c1 ZINC000165408268 331306183 /nfs/dbraw/zinc/30/61/83/331306183.db2.gz UWRPNSFUFYHCIL-UHFFFAOYSA-N 0 0 281.793 4.018 10 0 CIAERN C[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccs1 ZINC000172088836 335094000 /nfs/dbraw/zinc/09/40/00/335094000.db2.gz KGFKELQZVGUSNI-NEPJUHHUSA-N 0 0 265.422 4.142 10 0 CIAERN CC[C@H](C)c1csc(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000305987080 333002990 /nfs/dbraw/zinc/00/29/90/333002990.db2.gz GJRPIESVOACXSM-JTQLQIEISA-N 0 0 283.437 4.276 10 0 CIAERN CC[C@@H](C)c1csc(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000305987082 333003050 /nfs/dbraw/zinc/00/30/50/333003050.db2.gz GJRPIESVOACXSM-SNVBAGLBSA-N 0 0 283.437 4.276 10 0 CIAERN CC[C@H](C)[C@H](C)N(C(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000175184115 333016704 /nfs/dbraw/zinc/01/67/04/333016704.db2.gz GYRVZQDPYGSZMZ-AVGNSLFASA-N 0 0 294.464 4.418 10 0 CIAERN CC(C)N(C(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000175567329 333026933 /nfs/dbraw/zinc/02/69/33/333026933.db2.gz JRPFAXMUDQPIAH-CQSZACIVSA-N 0 0 296.414 4.483 10 0 CIAERN Cc1cscc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000176163362 333039688 /nfs/dbraw/zinc/03/96/88/333039688.db2.gz ZHLHOCJLIHVUCU-SECBINFHSA-N 0 0 297.782 4.340 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)c2oc(C)cc2C)o1 ZINC000176875576 333049765 /nfs/dbraw/zinc/04/97/65/333049765.db2.gz IQMGOHYMEJZYDG-CQSZACIVSA-N 0 0 287.359 4.165 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCC2CCC2)o1 ZINC000176875975 333049768 /nfs/dbraw/zinc/04/97/68/333049768.db2.gz FTZLPOYBLJQKHD-INIZCTEOSA-N 0 0 289.419 4.476 10 0 CIAERN O=C(Nc1ccsc1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000177698403 333062005 /nfs/dbraw/zinc/06/20/05/333062005.db2.gz PXXXTTKMKYMXQZ-CYBMUJFWSA-N 0 0 292.791 4.211 10 0 CIAERN CC(C)c1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c(C(C)C)c1 ZINC000178054202 333067261 /nfs/dbraw/zinc/06/72/61/333067261.db2.gz GLKVESFPSHTRGO-DYVFJYSZSA-N 0 0 289.419 4.439 10 0 CIAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H](C)C2CC2)cc1 ZINC000178387719 333071939 /nfs/dbraw/zinc/07/19/39/333071939.db2.gz FTCBFOQPCKWAQW-STQMWFEESA-N 0 0 259.393 4.033 10 0 CIAERN CCCC(CCC)C(=O)N[C@@H](C)c1cccs1 ZINC000178679448 333076744 /nfs/dbraw/zinc/07/67/44/333076744.db2.gz RGINAFLNJOXCAM-NSHDSACASA-N 0 0 253.411 4.142 10 0 CIAERN CSc1cccc(C)c1NC(=O)c1ccc2cc[nH]c2c1 ZINC000184621883 333130693 /nfs/dbraw/zinc/13/06/93/333130693.db2.gz JHNUAUBTVBGXKV-UHFFFAOYSA-N 0 0 296.395 4.451 10 0 CIAERN CCn1ccnc1CSCc1cc(Cl)ccc1F ZINC000190047490 333202574 /nfs/dbraw/zinc/20/25/74/333202574.db2.gz PAJFHSFKFZXYGW-UHFFFAOYSA-N 0 0 284.787 4.129 10 0 CIAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccoc1Cl ZINC000192291364 333234055 /nfs/dbraw/zinc/23/40/55/333234055.db2.gz OBLBHIVZBJXMHU-LBPRGKRZSA-N 0 0 296.153 4.004 10 0 CIAERN CCn1nc(C)c([C@@H](C)Nc2cc(F)cc(Cl)c2)c1C ZINC000226038907 333246447 /nfs/dbraw/zinc/24/64/47/333246447.db2.gz WRXABFXXMJNSAY-SECBINFHSA-N 0 0 295.789 4.485 10 0 CIAERN C[C@H](NC(=O)C(C)(C)c1ccccc1F)c1cccs1 ZINC000194770387 333277116 /nfs/dbraw/zinc/27/71/16/333277116.db2.gz LIOWFKXTASYOOF-NSHDSACASA-N 0 0 291.391 4.042 10 0 CIAERN C[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1cccs1 ZINC000194886474 333278644 /nfs/dbraw/zinc/27/86/44/333278644.db2.gz FRUPRMIKAZYHHJ-CYBMUJFWSA-N 0 0 287.428 4.293 10 0 CIAERN CO[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000227985038 333292014 /nfs/dbraw/zinc/29/20/14/333292014.db2.gz XODKJUWEHSPNHG-CABCVRRESA-N 0 0 269.388 4.039 10 0 CIAERN Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000230042844 333312541 /nfs/dbraw/zinc/31/25/41/333312541.db2.gz KXJBJOKXRRXBHC-BXKDBHETSA-N 0 0 296.208 4.132 10 0 CIAERN Cc1ccc(Br)c(NC(=O)[C@@H]2CCC[C@H]2C)c1 ZINC000230063754 333312755 /nfs/dbraw/zinc/31/27/55/333312755.db2.gz BHHPDPZXNLLFKB-GHMZBOCLSA-N 0 0 296.208 4.132 10 0 CIAERN CCS[C@@H]1CC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000230922466 333322721 /nfs/dbraw/zinc/32/27/21/333322721.db2.gz YFPWGQRICIHSLA-ZIAGYGMSSA-N 0 0 272.417 4.321 10 0 CIAERN Cc1ccccc1N[C@@H]1CCCc2ccc(O)cc21 ZINC000235783272 333372187 /nfs/dbraw/zinc/37/21/87/333372187.db2.gz PFEYDCISUYJPAJ-QGZVFWFLSA-N 0 0 253.345 4.190 10 0 CIAERN 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CNc1ccc(Cl)c(CSc2ccccc2OC)n1 ZINC000061640762 522624056 /nfs/dbraw/zinc/62/40/56/522624056.db2.gz CTUWSCSCXXCOOR-UHFFFAOYSA-N 0 0 294.807 4.078 10 0 CIAERN CC[C@H](Nc1cc(C)nc(Cl)n1)c1ccccc1 ZINC000052815057 522765531 /nfs/dbraw/zinc/76/55/31/522765531.db2.gz JIIAXDQTKIMZED-LBPRGKRZSA-N 0 0 261.756 4.002 10 0 CIAERN CC[C@@H](Nc1ccc(C(F)(F)F)cc1N)C(C)C ZINC000049128238 522955191 /nfs/dbraw/zinc/95/51/91/522955191.db2.gz SUEAKJQPNDGUTL-LLVKDONJSA-N 0 0 260.303 4.134 10 0 CIAERN CC[C@@H](Nc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000061099673 522955817 /nfs/dbraw/zinc/95/58/17/522955817.db2.gz YBFZWEBYMZSNHG-LLVKDONJSA-N 0 0 255.239 4.260 10 0 CIAERN CC[C@@H](Nc1ccccc1[C@@H](C)O)c1cccs1 ZINC000049542678 522965114 /nfs/dbraw/zinc/96/51/14/522965114.db2.gz XDHHJNNYWXEVSN-DGCLKSJQSA-N 0 0 261.390 4.365 10 0 CIAERN COc1ccc(-c2cc(Cl)ccc2Cl)cc1N ZINC000049591119 523108669 /nfs/dbraw/zinc/10/86/69/523108669.db2.gz IXRKUXNPUVJJTA-UHFFFAOYSA-N 0 0 268.143 4.251 10 0 CIAERN CC[C@@H](c1cccs1)n1c(=S)[nH]nc1C(C)C ZINC000049531466 523108864 /nfs/dbraw/zinc/10/88/64/523108864.db2.gz CIVYWIFWRZHQMN-VIFPVBQESA-N 0 0 267.423 4.125 10 0 CIAERN COc1ccc(Br)cc1COC1CCCCC1 ZINC000049600840 523501760 /nfs/dbraw/zinc/50/17/60/523501760.db2.gz MKSQCZDZAKLLHU-UHFFFAOYSA-N 0 0 299.208 4.307 10 0 CIAERN COc1ccc(Br)cc1NC(C1CC1)C1CC1 ZINC000049563014 523505124 /nfs/dbraw/zinc/50/51/24/523505124.db2.gz BTXOTYJZVDZCRW-UHFFFAOYSA-N 0 0 296.208 4.058 10 0 CIAERN CCn1ccnc1CS[C@H](C)c1ccccc1C ZINC000161918766 523545331 /nfs/dbraw/zinc/54/53/31/523545331.db2.gz UDQSLHONAMLFEL-CYBMUJFWSA-N 0 0 260.406 4.206 10 0 CIAERN CCc1ccc(OCc2ccc(Cl)cc2N)cc1 ZINC000050443500 524007252 /nfs/dbraw/zinc/00/72/52/524007252.db2.gz VLDAZIJUZVIEHU-UHFFFAOYSA-N 0 0 261.752 4.064 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C2CCCC2)o1 ZINC000128450411 524034518 /nfs/dbraw/zinc/03/45/18/524034518.db2.gz QLYNXXDTFZHYPA-HNNXBMFYSA-N 0 0 275.392 4.086 10 0 CIAERN Cc1ccc(C)c(COc2cc(C)c(N)cc2C)c1 ZINC000062997889 524105240 /nfs/dbraw/zinc/10/52/40/524105240.db2.gz OGBQJWCJFYNGSF-UHFFFAOYSA-N 0 0 255.361 4.081 10 0 CIAERN COc1ccc(Cl)cc1C[C@@H](O)c1ccccc1Cl ZINC000053787283 524213562 /nfs/dbraw/zinc/21/35/62/524213562.db2.gz YIMFRUMQOYENPQ-CQSZACIVSA-N 0 0 297.181 4.278 10 0 CIAERN Cc1cc(C)c(C[C@@H](O)c2ccccc2F)c(C)c1 ZINC000062774153 524273960 /nfs/dbraw/zinc/27/39/60/524273960.db2.gz MYBUFLPPCIYUIN-QGZVFWFLSA-N 0 0 258.336 4.027 10 0 CIAERN C[C@@H]1CCC[C@@H](SCC(=O)c2ccc(F)cc2)C1 ZINC000054692973 524320601 /nfs/dbraw/zinc/32/06/01/524320601.db2.gz VBDFHJIOHBWXAV-BXUZGUMPSA-N 0 0 266.381 4.320 10 0 CIAERN Cc1cccc(CC(=O)c2ccc(Cl)s2)c1 ZINC000052127691 524343357 /nfs/dbraw/zinc/34/33/57/524343357.db2.gz OGMMCJQOVWODQA-UHFFFAOYSA-N 0 0 250.750 4.135 10 0 CIAERN C[C@H]1CC[C@H](Nc2cccc(F)n2)c2ccccc21 ZINC000158984578 524423951 /nfs/dbraw/zinc/42/39/51/524423951.db2.gz GCWSLYNNIUVPEA-FZMZJTMJSA-N 0 0 256.324 4.271 10 0 CIAERN Cc1cccc2ncnc(N[C@@H](C)c3ccc(F)c(F)c3)c12 ZINC000301486876 534788324 /nfs/dbraw/zinc/78/83/24/534788324.db2.gz ICVXTYISWQREMY-NSHDSACASA-N 0 0 299.324 4.390 10 0 CIAERN Cc1cc(C)cc([C@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785567 524472771 /nfs/dbraw/zinc/47/27/71/524472771.db2.gz KBRXMRZVSLVHJQ-HNNXBMFYSA-N 0 0 264.727 4.178 10 0 CIAERN Cc1cccc(Cn2c3ccc(F)cc3[nH]c2=S)c1 ZINC000048266272 524493044 /nfs/dbraw/zinc/49/30/44/524493044.db2.gz ZPXXZOQMJRBLDR-UHFFFAOYSA-N 0 0 272.348 4.195 10 0 CIAERN COc1ccccc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000073848765 524619708 /nfs/dbraw/zinc/61/97/08/524619708.db2.gz RYCBMCKFNFGDRS-QGZVFWFLSA-N 0 0 283.371 4.074 10 0 CIAERN Cc1cccc(NCCSc2ccc(F)cc2)c1 ZINC000048937153 524677736 /nfs/dbraw/zinc/67/77/36/524677736.db2.gz XIELBRHFFLSGDD-UHFFFAOYSA-N 0 0 261.365 4.338 10 0 CIAERN Cc1ccc(C[C@H](O)c2ccc(F)cc2Cl)cc1C ZINC000061845733 524685891 /nfs/dbraw/zinc/68/58/91/524685891.db2.gz IFBUSDRBGIGWPS-INIZCTEOSA-N 0 0 278.754 4.372 10 0 CIAERN Cc1cccc(Oc2ccc([C@@H](C)O)cc2Cl)c1 ZINC000061697581 524787871 /nfs/dbraw/zinc/78/78/71/524787871.db2.gz KTXDTDXAYQDDGA-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN Cc1ccc(F)c([C@](C)(O)c2ccccc2Cl)c1 ZINC000055191247 524836659 /nfs/dbraw/zinc/83/66/59/524836659.db2.gz CYCRNOPKKLMBIN-OAHLLOKOSA-N 0 0 264.727 4.043 10 0 CIAERN Cc1ccc(F)cc1[C@@](C)(O)c1cccc(Cl)c1 ZINC000055191127 524874847 /nfs/dbraw/zinc/87/48/47/524874847.db2.gz YEFRIJUOHAZFSE-HNNXBMFYSA-N 0 0 264.727 4.043 10 0 CIAERN Cc1cc(Cl)ccc1OCCCC(C)(C)C(N)=S ZINC000057901584 524904650 /nfs/dbraw/zinc/90/46/50/524904650.db2.gz CATWCRIWOYARLZ-UHFFFAOYSA-N 0 0 285.840 4.120 10 0 CIAERN Cc1cccc2c1O[C@@H](c1ccc(Cl)cc1)CN2 ZINC000062538625 524961140 /nfs/dbraw/zinc/96/11/40/524961140.db2.gz CUPSVHGMRNEDGG-CQSZACIVSA-N 0 0 259.736 4.194 10 0 CIAERN Cc1cc(N)c2c(Cl)c(Cl)cc(Cl)c2n1 ZINC000050869187 525034965 /nfs/dbraw/zinc/03/49/65/525034965.db2.gz LGCAAHVAQKTJJD-UHFFFAOYSA-N 0 0 261.539 4.086 10 0 CIAERN Cc1cc(N)ccc1SCc1csc(C(C)C)n1 ZINC000049277053 525039465 /nfs/dbraw/zinc/03/94/65/525039465.db2.gz BSFHPDHMYRUYDF-UHFFFAOYSA-N 0 0 278.446 4.449 10 0 CIAERN Cc1ccc(N[C@@H](C)c2ccccc2Cl)cc1N ZINC000061701687 525308969 /nfs/dbraw/zinc/30/89/69/525308969.db2.gz GGEVVHZPVGAKQS-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(N[C@H](C)c2ccc(Br)cc2)nc1 ZINC000049526221 525316398 /nfs/dbraw/zinc/31/63/98/525316398.db2.gz YRWTYQUXKQPFGU-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN Cc1ccc(N[C@H](C)Cc2ccco2)c(Br)c1 ZINC000062769448 525316550 /nfs/dbraw/zinc/31/65/50/525316550.db2.gz JGIOKRNSGVHUSM-LLVKDONJSA-N 0 0 294.192 4.394 10 0 CIAERN Cc1ccc(N[C@H](C)c2ccccc2Cl)c(N)c1 ZINC000049506556 525319115 /nfs/dbraw/zinc/31/91/15/525319115.db2.gz MPCKNZXSZICALW-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Nc2cccc(N)c2C)c(Br)c1 ZINC000062724330 525325691 /nfs/dbraw/zinc/32/56/91/525325691.db2.gz LJVMYZCBSXZPRH-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Cc1ccccc1Oc1cccc(Cl)c1C(N)=S ZINC000052908338 525325915 /nfs/dbraw/zinc/32/59/15/525325915.db2.gz OYGRPERKNQVRFA-UHFFFAOYSA-N 0 0 277.776 4.075 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1c(N)cccc1Cl ZINC000049525432 525360832 /nfs/dbraw/zinc/36/08/32/525360832.db2.gz ZLTRBNBMSBYZPX-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC000078035585 525412825 /nfs/dbraw/zinc/41/28/25/525412825.db2.gz IEZYPGNDVDJJDW-STQMWFEESA-N 0 0 273.401 4.037 10 0 CIAERN Cc1cc([C@H](C)Nc2ccc(N)cc2F)c(C)s1 ZINC000049506144 525531511 /nfs/dbraw/zinc/53/15/11/525531511.db2.gz GHLNMEXCWGNKHO-VIFPVBQESA-N 0 0 264.369 4.259 10 0 CIAERN C[C@H](Nc1ccc(Br)cn1)c1cccc(F)c1 ZINC000049531140 525647019 /nfs/dbraw/zinc/64/70/19/525647019.db2.gz DEUNETWMHGRYPV-VIFPVBQESA-N 0 0 295.155 4.156 10 0 CIAERN C[C@H](Nc1ccc(N)cc1F)c1cccc(Cl)c1 ZINC000049515078 525655213 /nfs/dbraw/zinc/65/52/13/525655213.db2.gz SECVTARQHRPRHF-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc(SCc2cc(C)ccc2C)c(N)c1 ZINC000049256925 525662535 /nfs/dbraw/zinc/66/25/35/525662535.db2.gz NAKCFJWKNWQNIV-UHFFFAOYSA-N 0 0 257.402 4.486 10 0 CIAERN Cc1ccc(Sc2ccc(F)c(F)c2)cc1N ZINC000061702089 525671423 /nfs/dbraw/zinc/67/14/23/525671423.db2.gz PUGHTHARCJYEDY-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1N)c1cccc(Cl)c1 ZINC000049515046 525706296 /nfs/dbraw/zinc/70/62/96/525706296.db2.gz YMSKORLIFKUFGB-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccccc1N)c1cccc(Br)c1 ZINC000049564132 525721984 /nfs/dbraw/zinc/72/19/84/525721984.db2.gz LRTJZOHOFAAOHL-SNVBAGLBSA-N 0 0 291.192 4.204 10 0 CIAERN C[C@@](N)(c1nc2cccc(Cl)c2s1)c1ccccc1 ZINC000052879278 525750879 /nfs/dbraw/zinc/75/08/79/525750879.db2.gz BAYMQSSRUATTTE-HNNXBMFYSA-N 0 0 288.803 4.172 10 0 CIAERN Cc1c(N)cccc1Sc1ccc(C(F)(F)F)cn1 ZINC000062725560 525821772 /nfs/dbraw/zinc/82/17/72/525821772.db2.gz SJBJLJYVHSDGEM-UHFFFAOYSA-N 0 0 284.306 4.142 10 0 CIAERN C[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000052924697 525852729 /nfs/dbraw/zinc/85/27/29/525852729.db2.gz XXSCAVBXDACZIZ-QMMMGPOBSA-N 0 0 256.223 4.019 10 0 CIAERN C[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000052924698 525864112 /nfs/dbraw/zinc/86/41/12/525864112.db2.gz XXSCAVBXDACZIZ-MRVPVSSYSA-N 0 0 256.223 4.019 10 0 CIAERN C[C@@H](O)c1ccc(N(C)C2CCCCC2)c(Cl)c1 ZINC000061694869 525868647 /nfs/dbraw/zinc/86/86/47/525868647.db2.gz ZUBYAHRVTYMFMH-LLVKDONJSA-N 0 0 267.800 4.162 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccccc2[C@@H](C)O)s1 ZINC000049542556 525949878 /nfs/dbraw/zinc/94/98/78/525949878.db2.gz SBKCIVUCIRXDDE-NWDGAFQWSA-N 0 0 261.390 4.283 10 0 CIAERN Cc1ccc([C@H](N)c2oc3cc(F)ccc3c2C)s1 ZINC000062749467 525964100 /nfs/dbraw/zinc/96/41/00/525964100.db2.gz QBVFHPXJXNCABE-AWEZNQCLSA-N 0 0 275.348 4.298 10 0 CIAERN C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(N)cc1F ZINC000062014055 526070495 /nfs/dbraw/zinc/07/04/95/526070495.db2.gz XAEYMMJRXHMURJ-JTQLQIEISA-N 0 0 278.758 4.259 10 0 CIAERN Cc1cc(C(=O)C2CCCC2)ccc1Br ZINC000049858729 526199273 /nfs/dbraw/zinc/19/92/73/526199273.db2.gz DXUFYDOVMTXJPG-UHFFFAOYSA-N 0 0 267.166 4.130 10 0 CIAERN O[C@H]1CCCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000055230231 526302757 /nfs/dbraw/zinc/30/27/57/526302757.db2.gz OBUFERONMLPQTH-SKDRFNHKSA-N 0 0 259.176 4.402 10 0 CIAERN c1c[nH]c(CNc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000051787911 526406873 /nfs/dbraw/zinc/40/68/73/526406873.db2.gz NPZMPQDWLBJZEZ-UHFFFAOYSA-N 0 0 260.340 4.198 10 0 CIAERN Cc1nc(Cl)cc(Oc2ccc3c(c2)CCCC3)n1 ZINC000052835321 526936333 /nfs/dbraw/zinc/93/63/33/526936333.db2.gz YMHJCJANRUZIBN-UHFFFAOYSA-N 0 0 274.751 4.110 10 0 CIAERN Clc1ccc(Cl)c(CN2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000061630455 526955066 /nfs/dbraw/zinc/95/50/66/526955066.db2.gz ZNNGFMKKQYIWSJ-VXGBXAGGSA-N 0 0 299.245 4.401 10 0 CIAERN Clc1ccc(OCCNc2ccccc2)cc1Cl ZINC000053586949 526957197 /nfs/dbraw/zinc/95/71/97/526957197.db2.gz FECOCLQSDHPQBB-UHFFFAOYSA-N 0 0 282.170 4.484 10 0 CIAERN Clc1ccccc1NCc1c[nH]c2ccccc12 ZINC000048936894 526990590 /nfs/dbraw/zinc/99/05/90/526990590.db2.gz ULNNGTYCCXALGL-UHFFFAOYSA-N 0 0 256.736 4.433 10 0 CIAERN Cc1nc([C@H](N)c2csc3ccccc32)sc1C ZINC000054465562 527069283 /nfs/dbraw/zinc/06/92/83/527069283.db2.gz HQGQZJOENOHKSA-CYBMUJFWSA-N 0 0 274.414 4.023 10 0 CIAERN O=C1O[C@@H](Nc2cccc(Cl)c2Cl)c2ccccc21 ZINC000047135456 527100375 /nfs/dbraw/zinc/10/03/75/527100375.db2.gz KTRWRVWVZMPZJR-CYBMUJFWSA-N 0 0 294.137 4.275 10 0 CIAERN Cn1c2ccccc2c2ccc(Br)cc21 ZINC000072206782 527111135 /nfs/dbraw/zinc/11/11/35/527111135.db2.gz MTQSUJQCUCSASJ-UHFFFAOYSA-N 0 0 260.134 4.094 10 0 CIAERN O=C(Nc1ccc(C2CCCCC2)cc1)C(F)(F)F ZINC000390825468 527166102 /nfs/dbraw/zinc/16/61/02/527166102.db2.gz YHKNNRFXCILKCK-UHFFFAOYSA-N 0 0 271.282 4.235 10 0 CIAERN O=C(Cc1cc(F)ccc1F)c1ccc(Cl)cc1F ZINC000062785246 527212318 /nfs/dbraw/zinc/21/23/18/527212318.db2.gz DOQOBRGNFVCVEF-UHFFFAOYSA-N 0 0 284.664 4.183 10 0 CIAERN Cc1nc[nH]c1CNc1c(Cl)cccc1C(F)(F)F ZINC000054794428 527213342 /nfs/dbraw/zinc/21/33/42/527213342.db2.gz VKLZUYFRPRYKBF-UHFFFAOYSA-N 0 0 289.688 4.002 10 0 CIAERN Nc1cc(Cl)ccc1COC1CCCCCC1 ZINC000050443699 527451669 /nfs/dbraw/zinc/45/16/69/527451669.db2.gz ZAYPNSQXUGIDGW-UHFFFAOYSA-N 0 0 253.773 4.162 10 0 CIAERN Nc1onc(-c2ccc(Cl)cc2F)c1-c1cccs1 ZINC000052902022 527581390 /nfs/dbraw/zinc/58/13/90/527581390.db2.gz RNAZDCGPQONNKP-UHFFFAOYSA-N 0 0 294.738 4.445 10 0 CIAERN O[C@@H](Cc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000055202693 527664089 /nfs/dbraw/zinc/66/40/89/527664089.db2.gz RZMQOONBIOXFKA-ZDUSSCGKSA-N 0 0 285.145 4.409 10 0 CIAERN O[C@@H](Cc1ccc(Cl)s1)C1(c2ccccc2)CC1 ZINC000062780754 527664434 /nfs/dbraw/zinc/66/44/34/527664434.db2.gz VXARHOBEHVXAGG-ZDUSSCGKSA-N 0 0 278.804 4.037 10 0 CIAERN O[C@@H]1CCCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000055230250 527667822 /nfs/dbraw/zinc/66/78/22/527667822.db2.gz OCMPXKVMUKMXCH-ZWNOBZJWSA-N 0 0 259.176 4.402 10 0 CIAERN O[C@@H]1CCCCC[C@H]1c1cccc(Cl)c1Cl ZINC000055230233 527668824 /nfs/dbraw/zinc/66/88/24/527668824.db2.gz OBUFERONMLPQTH-JOYOIKCWSA-N 0 0 259.176 4.402 10 0 CIAERN CC(C)c1ccc(/C=C\C(=O)NCc2cccs2)cc1 ZINC000096507994 528057523 /nfs/dbraw/zinc/05/75/23/528057523.db2.gz WPMSUGVFDZWHOQ-YFHOEESVSA-N 0 0 285.412 4.201 10 0 CIAERN C[C@@H](Nc1ccccc1Br)c1ccco1 ZINC000019922670 567880111 /nfs/dbraw/zinc/88/01/11/567880111.db2.gz RSCUBWVJFUQFLF-SECBINFHSA-N 0 0 266.138 4.215 10 0 CIAERN CCC(C)(C)[C@@H]1CCC(=O)[C@H](C(F)(F)F)CC1 ZINC000725256034 567915344 /nfs/dbraw/zinc/91/53/44/567915344.db2.gz PKHCMELMISHOJE-VHSXEESVSA-N 0 0 250.304 4.360 10 0 CIAERN CC(C)(C)c1ccc2ccnc(Br)c2c1 ZINC000082766536 570349108 /nfs/dbraw/zinc/34/91/08/570349108.db2.gz RNAPHSLKBHOTKG-UHFFFAOYSA-N 0 0 264.166 4.295 10 0 CIAERN C[C@@H]1CC[C@](O)(c2ccc(Br)cc2)C[C@H]1C ZINC000521401813 570340155 /nfs/dbraw/zinc/34/01/55/570340155.db2.gz QLUHOXPEOBDWGC-JTNHKYCSSA-N 0 0 283.209 4.093 10 0 CIAERN CCc1nc2cc(Br)c(F)cc2c(C)c1C ZINC000669372249 566949349 /nfs/dbraw/zinc/94/93/49/566949349.db2.gz KSYSROFIEGFCGB-UHFFFAOYSA-N 0 0 282.156 4.316 10 0 CIAERN O=C1CC[C@@H](Sc2ccc(Cl)c(Cl)c2)C1 ZINC000083867350 567027005 /nfs/dbraw/zinc/02/70/05/567027005.db2.gz BIGNNQCBQNIDAB-MRVPVSSYSA-N 0 0 261.173 4.207 10 0 CIAERN O=C1CCC[C@H]1Sc1ccc(Cl)c(Cl)c1 ZINC000083867366 567027977 /nfs/dbraw/zinc/02/79/77/567027977.db2.gz SVBQLXHOPGVSDJ-LLVKDONJSA-N 0 0 261.173 4.207 10 0 CIAERN CNc1cc2nc(-c3ccccc3C)oc2c(C)c1 ZINC000226270066 567038920 /nfs/dbraw/zinc/03/89/20/567038920.db2.gz KTMLXEHGMUNNAW-UHFFFAOYSA-N 0 0 252.317 4.153 10 0 CIAERN CC(=O)c1sccc1-c1ccc(Br)cc1 ZINC000096915996 567041294 /nfs/dbraw/zinc/04/12/94/567041294.db2.gz DQZJPXRENXPRIE-UHFFFAOYSA-N 0 0 281.174 4.380 10 0 CIAERN CCNc1ccc(N2CCCC[C@H]2C)c(Br)c1 ZINC000226285084 567041386 /nfs/dbraw/zinc/04/13/86/567041386.db2.gz FDJKYXGXSDWFIW-LLVKDONJSA-N 0 0 297.240 4.260 10 0 CIAERN COc1cc([C@@H]2C[C@H]3C[C@@H]2[C@@H](C)C3(C)C)ccc1O ZINC000012874420 567864418 /nfs/dbraw/zinc/86/44/18/567864418.db2.gz NUEKYQUPPRJHFP-ZRJCITRHSA-N 0 0 260.377 4.187 10 0 CIAERN C[C@]1(c2ccc3ccccc3c2)OC(=O)c2ccccc21 ZINC000017351878 567875753 /nfs/dbraw/zinc/87/57/53/567875753.db2.gz JVUFRYOBPMEEPM-LJQANCHMSA-N 0 0 274.319 4.274 10 0 in-vitro CIAERN O=Cc1ccc(-c2cc(C(F)(F)F)cnc2Cl)cc1 ZINC000584881283 567882781 /nfs/dbraw/zinc/88/27/81/567882781.db2.gz PPKKTLLBZJYOII-UHFFFAOYSA-N 0 0 285.652 4.233 10 0 CIAERN CCc1ccc(-c2nc3cc(OC)ccc3o2)cc1 ZINC000073639753 567893213 /nfs/dbraw/zinc/89/32/13/567893213.db2.gz BTSWGUUEQOZLFB-UHFFFAOYSA-N 0 0 253.301 4.066 10 0 CIAERN CCc1cc(N)cc2nc(-c3ccccc3Cl)oc21 ZINC000073642596 567893570 /nfs/dbraw/zinc/89/35/70/567893570.db2.gz VKVJLMVEOXBRHV-UHFFFAOYSA-N 0 0 272.735 4.293 10 0 CIAERN CC(=O)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000078942417 567906242 /nfs/dbraw/zinc/90/62/42/567906242.db2.gz NRHFUAPESWFWDH-UHFFFAOYSA-N 0 0 264.683 4.474 10 0 CIAERN CC[C@@H](C)Cc1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246783 567908564 /nfs/dbraw/zinc/90/85/64/567908564.db2.gz WZNMYVWKWVYXDO-SNVBAGLBSA-N 0 0 265.788 4.095 10 0 CIAERN CCCc1ccc2c(c1)[C@@H](CC(=O)OC(C)(C)C)CCN2 ZINC000725253592 567910973 /nfs/dbraw/zinc/91/09/73/567910973.db2.gz ABGLAQBDVBOUAF-CQSZACIVSA-N 0 0 289.419 4.270 10 0 CIAERN CCn1cc(C(F)F)c(-c2cccc(Cl)c2F)n1 ZINC000725270740 567924840 /nfs/dbraw/zinc/92/48/40/567924840.db2.gz RYZPHBYYTHMLLT-UHFFFAOYSA-N 0 0 274.673 4.300 10 0 CIAERN CC[C@H](C)c1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243058 570254829 /nfs/dbraw/zinc/25/48/29/570254829.db2.gz HYEUGBJOPSQMKJ-VIFPVBQESA-N 0 0 265.788 4.194 10 0 CIAERN Clc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000034236290 570347423 /nfs/dbraw/zinc/34/74/23/570347423.db2.gz ZHEWVEUZEXJQTG-UHFFFAOYSA-N 0 0 277.154 4.461 10 0 CIAERN FC(F)(F)c1ccc(-c2ccc3c(c2)C=CC3)nc1 ZINC000675054801 570352145 /nfs/dbraw/zinc/35/21/45/570352145.db2.gz ZKHJSXACCQFHHV-UHFFFAOYSA-N 0 0 261.246 4.337 10 0 CIAERN Nc1c(F)ccc(-c2ccc(F)c(Cl)c2)c1F ZINC000675057266 570364637 /nfs/dbraw/zinc/36/46/37/570364637.db2.gz ZRLMQLPSIXAILJ-UHFFFAOYSA-N 0 0 257.642 4.007 10 0 CIAERN C[C@@H]1CC[C@@](O)(c2cccc(Br)c2)C[C@H]1C ZINC000675059688 570365737 /nfs/dbraw/zinc/36/57/37/570365737.db2.gz UISWGWNSMWTPBY-GYSYKLTISA-N 0 0 283.209 4.093 10 0 CIAERN FC(F)(F)CNc1ccc(Cl)cc1Br ZINC000088122852 570369972 /nfs/dbraw/zinc/36/99/72/570369972.db2.gz SQIKOHGQMPPTHM-UHFFFAOYSA-N 0 0 288.494 4.077 10 0 CIAERN CC(C)c1cc(Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000685959512 570406809 /nfs/dbraw/zinc/40/68/09/570406809.db2.gz OYUVEORYZKCOFV-UHFFFAOYSA-N 0 0 273.978 4.080 10 0 CIAERN Cc1c(N)cccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000019280912 570407916 /nfs/dbraw/zinc/40/79/16/570407916.db2.gz ADMIYMBAMAMKBU-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Fc1ccc(/C=C/Br)c(C(F)(F)F)c1 ZINC000606296635 570408347 /nfs/dbraw/zinc/40/83/47/570408347.db2.gz WJMJRLNXBAYKJS-ONEGZZNKSA-N 0 0 269.035 4.210 10 0 CIAERN Nc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1Cl ZINC000037014747 570411291 /nfs/dbraw/zinc/41/12/91/570411291.db2.gz SWSMVLJIKYTFFH-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN CCC1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000038816648 570412093 /nfs/dbraw/zinc/41/20/93/570412093.db2.gz ABHFHXPJTHMWQW-UHFFFAOYSA-N 0 0 283.209 4.237 10 0 CIAERN O=C(/C=C\c1ccc(Cl)cc1)NC1CCCCCC1 ZINC000096505716 230385312 /nfs/dbraw/zinc/38/53/12/230385312.db2.gz ZDTCTIOPVOBBST-XFXZXTDPSA-N 0 0 277.795 4.192 10 0 CIAERN COc1ccc(Cl)cc1[C@](C)(Cl)C(F)(F)F ZINC000095643065 185017359 /nfs/dbraw/zinc/01/73/59/185017359.db2.gz VEFFVQBRNNKNHC-VIFPVBQESA-N 0 0 273.081 4.365 10 0 CIAERN Oc1cc(Br)ccc1CC1CCCCC1 ZINC000095712493 185019035 /nfs/dbraw/zinc/01/90/35/185019035.db2.gz VPRMFIKVTFVPIP-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN CC(C)(C)c1cccc(OC2CC2)c1Br ZINC000095723147 185020269 /nfs/dbraw/zinc/02/02/69/185020269.db2.gz ZJZBFZCMDHBPSF-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN c1ccc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)nc1 ZINC000082508639 178074713 /nfs/dbraw/zinc/07/47/13/178074713.db2.gz ZMRSXVNISICHJL-QGZVFWFLSA-N 0 0 294.398 4.008 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509702 178075782 /nfs/dbraw/zinc/07/57/82/178075782.db2.gz BZZBWUKCRYBIIO-GHMZBOCLSA-N 0 0 281.831 4.418 10 0 CIAERN CC(C)c1nc(Cl)cc(N[C@@H](C)c2ccccc2)n1 ZINC000082509564 178076016 /nfs/dbraw/zinc/07/60/16/178076016.db2.gz WOCIVCQZPWXZPR-NSHDSACASA-N 0 0 275.783 4.427 10 0 CIAERN Cc1cccc(C(=O)c2cccc(Br)c2)c1C ZINC000095916802 185030717 /nfs/dbraw/zinc/03/07/17/185030717.db2.gz ACVFBHHORFMZOZ-UHFFFAOYSA-N 0 0 289.172 4.297 10 0 CIAERN CCc1ccc2c(c1)S[C@@H]1C=C(CC)C=C[C@@H]1N2 ZINC000095930520 185032767 /nfs/dbraw/zinc/03/27/67/185032767.db2.gz CUVZXVBLBXHDHS-DZGCQCFKSA-N 0 0 257.402 4.410 10 0 CIAERN CCc1ccc(-c2nnc(Cl)cc2Cl)cc1 ZINC000095935502 185033386 /nfs/dbraw/zinc/03/33/86/185033386.db2.gz QHATZJPLINNXBB-UHFFFAOYSA-N 0 0 253.132 4.013 10 0 CIAERN CCCCCC1=C(C(=O)OCC)CC[C@@H]2CCCCN12 ZINC000095933441 185033588 /nfs/dbraw/zinc/03/35/88/185033588.db2.gz ZQMZPBBYULFFHJ-AWEZNQCLSA-N 0 0 279.424 4.032 10 0 CIAERN COc1cc2nccc(Cl)c2cc1OCc1ccccc1 ZINC000095935597 185033730 /nfs/dbraw/zinc/03/37/30/185033730.db2.gz VKIDMVXAAMVIKE-UHFFFAOYSA-N 0 0 299.757 4.476 10 0 CIAERN COc1cc(C)c(Br)cc1C(C)(C)C ZINC000082620264 178129339 /nfs/dbraw/zinc/12/93/39/178129339.db2.gz AAAJTPWYYSVDCB-UHFFFAOYSA-N 0 0 257.171 4.064 10 0 CIAERN COc1cc(Cl)c(C(=O)CC(C)C)cc1Cl ZINC000082621656 178133900 /nfs/dbraw/zinc/13/39/00/178133900.db2.gz DGUYBMXJAFGXHY-UHFFFAOYSA-N 0 0 261.148 4.231 10 0 CIAERN Brc1ccc2cnc(-c3ccccc3)nc2c1 ZINC000096028923 185067701 /nfs/dbraw/zinc/06/77/01/185067701.db2.gz AAYMPYKUKMXZNM-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN CC(C)c1ccc(NC(=O)c2cccc(Cl)c2N)cc1 ZINC000082698822 178199257 /nfs/dbraw/zinc/19/92/57/178199257.db2.gz IEEMIJKIOXBWTN-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN CCc1cccc(C)c1NC(=O)c1cccc(Cl)c1N ZINC000082698832 178199531 /nfs/dbraw/zinc/19/95/31/178199531.db2.gz JWZPTRGBYXVVAW-UHFFFAOYSA-N 0 0 288.778 4.045 10 0 CIAERN Fc1ccc2nc(NC3CCCCC3)sc2c1 ZINC000082727951 178244363 /nfs/dbraw/zinc/24/43/63/178244363.db2.gz HMRWGYJJOVKIIA-UHFFFAOYSA-N 0 0 250.342 4.180 10 0 CIAERN Fc1cc(Br)cc2c(Cl)cc(Cl)nc12 ZINC000082788893 178294235 /nfs/dbraw/zinc/29/42/35/178294235.db2.gz IRFUHDFNPNRQDG-UHFFFAOYSA-N 0 0 294.938 4.443 10 0 CIAERN c1ccc(CNc2ccccc2-c2ccccn2)cc1 ZINC000096675552 185109779 /nfs/dbraw/zinc/10/97/79/185109779.db2.gz SASHALCVAJFDOW-UHFFFAOYSA-N 0 0 260.340 4.361 10 0 CIAERN Fc1ccc(-c2csc(Br)c2)c(F)c1 ZINC000096943118 185133622 /nfs/dbraw/zinc/13/36/22/185133622.db2.gz VPVWUAKVADDABR-UHFFFAOYSA-N 0 0 275.117 4.456 10 0 CIAERN FC(F)(F)c1nc2cccc(Br)c2s1 ZINC000096977762 185145359 /nfs/dbraw/zinc/14/53/59/185145359.db2.gz DSHWUFWFGWKCTA-UHFFFAOYSA-N 0 0 282.084 4.078 10 0 CIAERN Cc1cc(C)cc(CNc2cnc(Cl)c(C)c2)c1 ZINC000083442654 178456154 /nfs/dbraw/zinc/45/61/54/178456154.db2.gz MPRGJFPHVVONPO-UHFFFAOYSA-N 0 0 260.768 4.272 10 0 CIAERN CCc1cc(N[C@H](c2ccc(F)cc2)C2CC2)nc(C)n1 ZINC000302041179 529561939 /nfs/dbraw/zinc/56/19/39/529561939.db2.gz IATMETNJCVFCMZ-KRWDZBQOSA-N 0 0 285.366 4.050 10 0 CIAERN CC[C@H](Nc1cc(C)c(C)nn1)c1ccc(Cl)cc1 ZINC000302285072 529675206 /nfs/dbraw/zinc/67/52/06/529675206.db2.gz JWDIPSJINCVEEJ-AWEZNQCLSA-N 0 0 275.783 4.310 10 0 CIAERN CCc1cccc(CC)c1NCc1ccc(OC)cc1 ZINC000083514749 178545179 /nfs/dbraw/zinc/54/51/79/178545179.db2.gz ORNSGOSFYNSYGJ-UHFFFAOYSA-N 0 0 269.388 4.432 10 0 CIAERN Clc1ccc(/C=C/c2ccnc(N3CCCCC3)n2)cc1 ZINC000072443586 136481313 /nfs/dbraw/zinc/48/13/13/136481313.db2.gz WAGFRVXFDZFLNE-RMKNXTFCSA-N 0 0 299.805 4.291 10 0 CIAERN C[C@@]12CC(C)(C)C[C@H](O)[C@@H]1[C@@H]1CCCCCC[C@@H]12 ZINC000098089861 185686500 /nfs/dbraw/zinc/68/65/00/185686500.db2.gz ZLYGZWSVTNTPHH-MDLJMBGESA-N 0 0 250.426 4.390 10 0 CIAERN CC[C@@H](C)P(c1ccccc1N(C)C)[C@@H](C)CC ZINC000098090973 185686534 /nfs/dbraw/zinc/68/65/34/185686534.db2.gz CPMFZCOSAHULNQ-UUVAVEHKSA-N 0 0 265.381 4.457 10 0 CIAERN Clc1nc(-c2ccccc2)c(Br)s1 ZINC000098178550 185698330 /nfs/dbraw/zinc/69/83/30/185698330.db2.gz KDSNEFCFMAJZKQ-UHFFFAOYSA-N 0 0 274.570 4.226 10 0 CIAERN CC(=O)Cc1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000098169735 185696960 /nfs/dbraw/zinc/69/69/60/185696960.db2.gz RXHUVOGJTUOEGO-UHFFFAOYSA-N 0 0 262.711 4.278 10 0 CIAERN ClC1(Cl)[C@@H]2CCCC[C@H]3[C@H]([C@H]21)C3(Cl)Cl ZINC000100017540 185701271 /nfs/dbraw/zinc/70/12/71/185701271.db2.gz BBPBENGIKVHXME-SOSBWXJGSA-N 0 0 274.018 4.400 10 0 CIAERN CC(C)OC(=O)CN1c2ccccc2Sc2ccccc21 ZINC000009940850 136556528 /nfs/dbraw/zinc/55/65/28/136556528.db2.gz CBZNRNYHKZNHEB-UHFFFAOYSA-N 0 0 299.395 4.241 10 0 CIAERN CN1c2ccccc2C=C[C@H]1n1ccc2ccccc21 ZINC000211799962 136582058 /nfs/dbraw/zinc/58/20/58/136582058.db2.gz WAGQWVPZLRVAPV-GOSISDBHSA-N 0 0 260.340 4.303 10 0 CIAERN CCCC1CCC(O)(c2cc(C)ccc2F)CC1 ZINC000103941804 185865530 /nfs/dbraw/zinc/86/55/30/185865530.db2.gz HIESAMINMKFVLT-UHFFFAOYSA-N 0 0 250.357 4.312 10 0 CIAERN CCC[C@@H](c1cccs1)n1c(Cl)nnc1C1CC1 ZINC000103927222 185863397 /nfs/dbraw/zinc/86/33/97/185863397.db2.gz YVNZONJBXVYTAO-JTQLQIEISA-N 0 0 281.812 4.260 10 0 CIAERN CCCNc1cc(C2CC2)nc(-c2ccc(C)s2)n1 ZINC000103971257 185871360 /nfs/dbraw/zinc/87/13/60/185871360.db2.gz KKPDHRXFRQVKAS-UHFFFAOYSA-N 0 0 273.405 4.213 10 0 CIAERN CNc1cc(C2CC2)nc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000103964290 185870192 /nfs/dbraw/zinc/87/01/92/185870192.db2.gz BIFPWBRODAAGIY-UHFFFAOYSA-N 0 0 294.185 4.370 10 0 CIAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(F)cc1OC ZINC000103985467 185875415 /nfs/dbraw/zinc/87/54/15/185875415.db2.gz HCSKGIOUFPMFSB-WCQYABFASA-N 0 0 253.361 4.461 10 0 CIAERN CCCCCC[C@@H](C)O[C@H]1CCCCCC[C@@H]1O ZINC000103981405 185873895 /nfs/dbraw/zinc/87/38/95/185873895.db2.gz PYURSJBUZQYNTL-PMPSAXMXSA-N 0 0 256.430 4.446 10 0 CIAERN CC1(C)Cc2cc(C(=O)C3CCCCC3)ccc2O1 ZINC000104010369 185881402 /nfs/dbraw/zinc/88/14/02/185881402.db2.gz OSFSXGUACRMTMA-UHFFFAOYSA-N 0 0 258.361 4.163 10 0 CIAERN CCCc1cc(NC)c2cc(Br)cc(F)c2n1 ZINC000104013546 185882676 /nfs/dbraw/zinc/88/26/76/185882676.db2.gz BCYFRECCZFHHOD-UHFFFAOYSA-N 0 0 297.171 4.131 10 0 CIAERN CCCCCCOc1nc(Cl)nc2ccccc21 ZINC000104014803 185882877 /nfs/dbraw/zinc/88/28/77/185882877.db2.gz GJMMBGDDDMKQJR-UHFFFAOYSA-N 0 0 264.756 4.242 10 0 CIAERN CCNc1cc(C(F)(F)F)nc2cc(C)cc(C)c21 ZINC000104000268 185879109 /nfs/dbraw/zinc/87/91/09/185879109.db2.gz PBEYHADPELTPBK-UHFFFAOYSA-N 0 0 268.282 4.302 10 0 CIAERN Cc1ccc(N)cc1-c1cccc(C(F)(F)F)c1 ZINC000104059575 185888112 /nfs/dbraw/zinc/88/81/12/185888112.db2.gz SNOITTFGCFIOJJ-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN Cc1ccc2cccc(Oc3cccc(Cl)n3)c2n1 ZINC000104108178 185896762 /nfs/dbraw/zinc/89/67/62/185896762.db2.gz GHQXDNXTDOHWNX-UHFFFAOYSA-N 0 0 270.719 4.384 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1cc(OC(C)C)c(F)cc1N ZINC000104134048 185904427 /nfs/dbraw/zinc/90/44/27/185904427.db2.gz GZHOPYWTQBLWHF-MNOVXSKESA-N 0 0 268.376 4.042 10 0 CIAERN CCc1nc(-c2ccc([C@H]3C[C@H]3C)o2)nc(Cl)c1C ZINC000104158211 185913877 /nfs/dbraw/zinc/91/38/77/185913877.db2.gz ARGDJAMWTKOWGD-SCZZXKLOSA-N 0 0 276.767 4.384 10 0 CIAERN CC1(n2c3cccc(F)c3[nH]c2=S)CCCCC1 ZINC000104160326 185914894 /nfs/dbraw/zinc/91/48/94/185914894.db2.gz WURLEMUVPQFCAX-UHFFFAOYSA-N 0 0 264.369 4.143 10 0 CIAERN Cc1cc(N)cc(C)c1OCc1ccc(Cl)cc1 ZINC000104186932 185919218 /nfs/dbraw/zinc/91/92/18/185919218.db2.gz HWQRFXJAKRXLRT-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN CC[C@@H](C)c1nc2sc3c(c2c(Cl)n1)CCC3 ZINC000104211667 185932607 /nfs/dbraw/zinc/93/26/07/185932607.db2.gz RMGITWJXRKKGRX-SSDOTTSWSA-N 0 0 266.797 4.347 10 0 CIAERN CCCc1c(Cl)ncnc1N[C@H]1CCCC[C@@H]1C ZINC000104212311 185932762 /nfs/dbraw/zinc/93/27/62/185932762.db2.gz OVTACZIJZJSPIA-JQWIXIFHSA-N 0 0 267.804 4.073 10 0 CIAERN Cc1c(Cl)ncnc1Sc1nc2ccccc2s1 ZINC000104214193 185933318 /nfs/dbraw/zinc/93/33/18/185933318.db2.gz FUWFCGCTMMBCTE-UHFFFAOYSA-N 0 0 293.804 4.199 10 0 CIAERN Nc1cccc(Cl)c1-c1nc(C2CCCCC2)no1 ZINC000104219474 185934890 /nfs/dbraw/zinc/93/48/90/185934890.db2.gz KLYJJJROGGDBPH-UHFFFAOYSA-N 0 0 277.755 4.020 10 0 CIAERN CCCc1c(Cl)ncnc1N(C)[C@H]1CCCC[C@@H]1C ZINC000104221427 185935458 /nfs/dbraw/zinc/93/54/58/185935458.db2.gz MCYVLUWUZMQPDB-AAEUAGOBSA-N 0 0 281.831 4.097 10 0 CIAERN Fc1ccc2sc(NC[C@@H]3C[C@H]4CC[C@@H]3C4)nc2c1 ZINC000104248569 185943318 /nfs/dbraw/zinc/94/33/18/185943318.db2.gz SBGLXXUSJRADJT-AXFHLTTASA-N 0 0 276.380 4.284 10 0 CIAERN C[C@H](O)c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000104285242 185955040 /nfs/dbraw/zinc/95/50/40/185955040.db2.gz MEYHZANNOFVYES-VIFPVBQESA-N 0 0 266.312 4.169 10 0 CIAERN O=Cc1c(Cl)cccc1Sc1nc2ccccc2o1 ZINC000104284360 185955528 /nfs/dbraw/zinc/95/55/28/185955528.db2.gz FVTNWQVXLKLPDY-UHFFFAOYSA-N 0 0 289.743 4.445 10 0 CIAERN Cc1nn(C2CCCC2)c2cc(Br)ccc12 ZINC000089200411 179752138 /nfs/dbraw/zinc/75/21/38/179752138.db2.gz IRHUFJARLAXULO-UHFFFAOYSA-N 0 0 279.181 4.222 10 0 CIAERN COc1ccccc1SCc1c(N)cccc1Cl ZINC000104312041 185964384 /nfs/dbraw/zinc/96/43/84/185964384.db2.gz FVZLNLUKDMACLW-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN Cc1ccc([C@H](C)O)c(OCc2ccc(Cl)s2)c1 ZINC000104327747 185970467 /nfs/dbraw/zinc/97/04/67/185970467.db2.gz KAGAWGOXKOOBGQ-JTQLQIEISA-N 0 0 282.792 4.342 10 0 CIAERN CSc1ccc(O[C@H](C)c2ccc(N)cc2)cc1 ZINC000104334565 185973651 /nfs/dbraw/zinc/97/36/51/185973651.db2.gz CPIIRMRPTPETAU-LLVKDONJSA-N 0 0 259.374 4.131 10 0 CIAERN CSc1ccc(Oc2nc3ccc(N)cc3s2)cc1 ZINC000104345329 185976914 /nfs/dbraw/zinc/97/69/14/185976914.db2.gz PXEFPJZWSIZEFT-UHFFFAOYSA-N 0 0 288.397 4.393 10 0 CIAERN CC[C@H]1CCCC[C@@H]1n1nc(C)c(Br)c1C ZINC000104382359 185987162 /nfs/dbraw/zinc/98/71/62/185987162.db2.gz XNDCDBOSCXNTGA-RYUDHWBXSA-N 0 0 285.229 4.404 10 0 CIAERN CC1=N[C@H]1c1ccc(Br)c2ccccc21 ZINC000090375275 179979179 /nfs/dbraw/zinc/97/91/79/179979179.db2.gz FCWBKVYQEBULJQ-CYBMUJFWSA-N 0 0 260.134 4.118 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccc(F)c(Cl)c2)c(F)c1 ZINC000104423477 185997074 /nfs/dbraw/zinc/99/70/74/185997074.db2.gz RFPBZMORKJNMIJ-MRVPVSSYSA-N 0 0 284.689 4.464 10 0 CIAERN COc1ccc(C)cc1[C@H](O)C[C@H](C)C(C)(C)C ZINC000104434202 186000862 /nfs/dbraw/zinc/00/08/62/186000862.db2.gz SRRPNGPCGJWXHQ-GXTWGEPZSA-N 0 0 250.382 4.109 10 0 CIAERN Oc1ccc(Oc2ccc(-c3nccs3)cc2)cc1 ZINC000090713641 180028506 /nfs/dbraw/zinc/02/85/06/180028506.db2.gz MDQVZLBJWGHFIF-UHFFFAOYSA-N 0 0 269.325 4.308 10 0 CIAERN COc1ccc(-c2c(C)oc3cc(OC)cc(OC)c32)cc1 ZINC000090547382 180000823 /nfs/dbraw/zinc/00/08/23/180000823.db2.gz CXBBWNFDISQLDV-UHFFFAOYSA-N 0 0 298.338 4.434 10 0 CIAERN COc1cc(F)c(C(=O)C[C@@H](C)C(C)(C)C)c(F)c1 ZINC000104435550 186001723 /nfs/dbraw/zinc/00/17/23/186001723.db2.gz XMXNMKNIMVRMAJ-SECBINFHSA-N 0 0 270.319 4.228 10 0 CIAERN CCC(CC)[C@@H](C)Nc1ccc(Cl)cc1C(N)=S ZINC000104438475 186002495 /nfs/dbraw/zinc/00/24/95/186002495.db2.gz IBDBTBLXKGUHOC-SECBINFHSA-N 0 0 284.856 4.211 10 0 CIAERN Oc1c(-c2ccsc2)cc(Cl)c2cccnc12 ZINC000090698088 180027199 /nfs/dbraw/zinc/02/71/99/180027199.db2.gz WONGLKMRCKTYJK-UHFFFAOYSA-N 0 0 261.733 4.322 10 0 CIAERN Clc1cccc2nc(NCCc3cscn3)sc21 ZINC000104444989 186004805 /nfs/dbraw/zinc/00/48/05/186004805.db2.gz DULBSBMWNKJDSI-UHFFFAOYSA-N 0 0 295.820 4.061 10 0 CIAERN COc1ccc([C@H](O)C[C@H](C)C(C)(C)C)cc1Cl ZINC000104450178 186007171 /nfs/dbraw/zinc/00/71/71/186007171.db2.gz FCYWSDMDDLBUIF-GXFFZTMASA-N 0 0 270.800 4.454 10 0 CIAERN Cc1cc(C)c(NC=C2C(=O)Nc3ccccc32)c(C)c1 ZINC000104489568 186007792 /nfs/dbraw/zinc/00/77/92/186007792.db2.gz MIOAUSWLKZPBRV-XNTDXEJSSA-N 0 0 278.355 4.017 10 0 CIAERN COc1cccc(CSc2cc(Cl)ccn2)c1 ZINC000091362085 180141471 /nfs/dbraw/zinc/14/14/71/180141471.db2.gz PKSXKSBICKAKHG-UHFFFAOYSA-N 0 0 265.765 4.036 10 0 CIAERN O=C(c1ccc(Cl)cc1)n1c(=S)oc2ccccc21 ZINC000107626002 186182267 /nfs/dbraw/zinc/18/22/67/186182267.db2.gz NZWDKPQRCHZWKP-UHFFFAOYSA-N 0 0 289.743 4.306 10 0 CIAERN CC1CCC(Cn2c3ccccc3[nH]c2=S)CC1 ZINC000110423076 186295347 /nfs/dbraw/zinc/29/53/47/186295347.db2.gz BRAHEEAMPLEXDN-UHFFFAOYSA-N 0 0 260.406 4.151 10 0 CIAERN Clc1nc(C2CCCCC2)nc2c1CCCCC2 ZINC000110446278 186296667 /nfs/dbraw/zinc/29/66/67/186296667.db2.gz WSRYXUPJAWRXBM-UHFFFAOYSA-N 0 0 264.800 4.447 10 0 CIAERN CCNc1nc(-c2cccc(Cl)c2)nc(CC)c1C ZINC000110476721 186299455 /nfs/dbraw/zinc/29/94/55/186299455.db2.gz ZJIRRTDKPDQNES-UHFFFAOYSA-N 0 0 275.783 4.100 10 0 CIAERN FC(F)c1cccc(Br)c1Br ZINC000112731843 186527009 /nfs/dbraw/zinc/52/70/09/186527009.db2.gz WVTDKMLXPWYZLJ-UHFFFAOYSA-N 0 0 285.913 4.149 10 0 CIAERN O[C@H](c1ccccc1F)c1ccc2c3c(cccc31)CC2 ZINC000158862004 188397171 /nfs/dbraw/zinc/39/71/71/188397171.db2.gz WVCXHBGHEIBCHC-IBGZPJMESA-N 0 0 278.326 4.159 10 0 CIAERN Cc1cccc([C@H](O)c2ccc3c4c(cccc42)CC3)c1 ZINC000158884258 188398869 /nfs/dbraw/zinc/39/88/69/188398869.db2.gz LQQODCXJIUOSPN-FQEVSTJZSA-N 0 0 274.363 4.329 10 0 CIAERN Cc1ccc([C@H](O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000158887072 188399122 /nfs/dbraw/zinc/39/91/22/188399122.db2.gz VWSJUYXLPCVXJZ-FQEVSTJZSA-N 0 0 274.363 4.329 10 0 CIAERN O=C(c1ccccc1)[C@H](c1ccccc1)c1cccnc1 ZINC000169318299 188657690 /nfs/dbraw/zinc/65/76/90/188657690.db2.gz MZWFQARJUKGTKY-GOSISDBHSA-N 0 0 273.335 4.096 10 0 CIAERN O=C(c1sc(Cl)nc1C(F)(F)F)c1ccccc1 ZINC000217010245 189707958 /nfs/dbraw/zinc/70/79/58/189707958.db2.gz JMJWKBXHDKNOOE-UHFFFAOYSA-N 0 0 291.681 4.046 10 0 CIAERN CCCCC(=O)Nc1c(C)nc(Oc2ccccc2)nc1C ZINC000224339904 189741706 /nfs/dbraw/zinc/74/17/06/189741706.db2.gz VWKWEMUPNATGBD-UHFFFAOYSA-N 0 0 299.374 4.014 10 0 CIAERN Cc1ccc(/C=C/c2nc3cc(N)cc(C)c3o2)cc1 ZINC000226249964 189770763 /nfs/dbraw/zinc/77/07/63/189770763.db2.gz OIAGLKNFFIHUMD-BQYQJAHWSA-N 0 0 264.328 4.197 10 0 CIAERN FC(F)(F)c1ccc(N2CCCC2)c(-n2cccc2)c1 ZINC000226245297 189770792 /nfs/dbraw/zinc/77/07/92/189770792.db2.gz NOEZZFFMIYLZDH-UHFFFAOYSA-N 0 0 280.293 4.096 10 0 CIAERN O=c1oc2ccccc2cc1-c1ccc(-n2cccc2)cc1 ZINC000226280711 189771069 /nfs/dbraw/zinc/77/10/69/189771069.db2.gz SLAZKYDVEZTUTO-UHFFFAOYSA-N 0 0 287.318 4.251 10 0 CIAERN CCNc1ccc(NC(=O)c2cccs2)c(Cl)c1 ZINC000226285486 189771388 /nfs/dbraw/zinc/77/13/88/189771388.db2.gz WDXKEFXSJILZCE-UHFFFAOYSA-N 0 0 280.780 4.086 10 0 CIAERN CCOP(=O)(Cc1c(C)cccc1C)OCC ZINC000238857223 189901358 /nfs/dbraw/zinc/90/13/58/189901358.db2.gz YJKGTPLNMBMATG-UHFFFAOYSA-N 0 0 256.282 4.070 10 0 CIAERN Cc1ccc(Nc2ncccc2Br)c(F)c1 ZINC000042376135 184553546 /nfs/dbraw/zinc/55/35/46/184553546.db2.gz RYJCNVNWPPBOQU-UHFFFAOYSA-N 0 0 281.128 4.035 10 0 CIAERN COc1cc(Cl)c(N[C@H]2CCC[C@H](C)C2)cc1OC ZINC000037043658 184539071 /nfs/dbraw/zinc/53/90/71/184539071.db2.gz YIAQZHYFDVHWDD-QWRGUYRKSA-N 0 0 283.799 4.348 10 0 CIAERN Cc1nn([C@H](C)C(=O)c2ccc(Cl)cc2)c(C)c1Cl ZINC000050587134 184565026 /nfs/dbraw/zinc/56/50/26/184565026.db2.gz OGKUPOKCCYJVDB-SNVBAGLBSA-N 0 0 297.185 4.251 10 0 CIAERN CCSC1=NC2(CCCCC2)[C@@H]2CCCC[C@H]2O1 ZINC000000500820 169657151 /nfs/dbraw/zinc/65/71/51/169657151.db2.gz XNCCGUSFNFNFPN-CHWSQXEVSA-N 0 0 267.438 4.387 10 0 CIAERN Cc1ccc([C@@H](C)NCc2ccc([C@@H]3C[C@@H]3C)o2)o1 ZINC000035043345 260005202 /nfs/dbraw/zinc/00/52/02/260005202.db2.gz DFKOJKLAWKVUDG-ZKYQVNSYSA-N 0 0 259.349 4.155 10 0 CIAERN CC(C)N(Cc1cccc(Cl)c1)C(F)(F)F ZINC000095088086 184938708 /nfs/dbraw/zinc/93/87/08/184938708.db2.gz ZEQXQDUDXDMQRS-UHFFFAOYSA-N 0 0 251.679 4.070 10 0 CIAERN CCC(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000001597443 169721857 /nfs/dbraw/zinc/72/18/57/169721857.db2.gz BHFLFCBDGYNXQE-INIZCTEOSA-N 0 0 274.747 4.383 10 0 CIAERN COCC[C@H](Nc1cccc(F)n1)c1ccc(Cl)cc1 ZINC000301666679 533314244 /nfs/dbraw/zinc/31/42/44/533314244.db2.gz WYSCMBYVGFKTSF-ZDUSSCGKSA-N 0 0 294.757 4.064 10 0 CIAERN CCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1 ZINC000226346806 130824408 /nfs/dbraw/zinc/82/44/08/130824408.db2.gz MJHIULMVYBESAP-UHFFFAOYSA-N 0 0 288.778 4.045 10 0 CIAERN C[C@H](NC(=O)CCCC(C)(C)C)c1cccs1 ZINC000171429627 335065670 /nfs/dbraw/zinc/06/56/70/335065670.db2.gz KZOHFTIUHCBSLM-NSHDSACASA-N 0 0 253.411 4.142 10 0 CIAERN C[C@@H](NC(=O)CCCC(C)(C)C)c1cccs1 ZINC000171429631 335065751 /nfs/dbraw/zinc/06/57/51/335065751.db2.gz KZOHFTIUHCBSLM-LLVKDONJSA-N 0 0 253.411 4.142 10 0 CIAERN CCCCCN(CCCCC)S(=O)(=O)c1ccccc1 ZINC000001696585 169744570 /nfs/dbraw/zinc/74/45/70/169744570.db2.gz BJKNCQPCAUDKPO-UHFFFAOYSA-N 0 0 297.464 4.058 10 0 CIAERN CC(C)(C)Cc1ccc(OCCOc2ccccn2)cc1 ZINC000005138127 170069852 /nfs/dbraw/zinc/06/98/52/170069852.db2.gz YFKBFGLODWNOKH-UHFFFAOYSA-N 0 0 285.387 4.128 10 0 CIAERN CCCC[C@H](c1ccccc1)n1nnc2ccccc21 ZINC000005310102 170084888 /nfs/dbraw/zinc/08/48/88/170084888.db2.gz LOURYVLYLRTFMY-MRXNPFEDSA-N 0 0 265.360 4.211 10 0 CIAERN CCn1c([C@H](C)n2nnc3ccccc32)cc2ccccc21 ZINC000005328048 170085840 /nfs/dbraw/zinc/08/58/40/170085840.db2.gz BNEYDXAFIMXXKR-ZDUSSCGKSA-N 0 0 290.370 4.015 10 0 CIAERN Cc1c(-c2ccccc2)cn2c3ccccc3n(C)c12 ZINC000005330519 170086145 /nfs/dbraw/zinc/08/61/45/170086145.db2.gz JDAQTQYNRVBGQZ-UHFFFAOYSA-N 0 0 260.340 4.406 10 0 CIAERN Cc1ccc(NCc2c[nH]c3ccccc23)cc1C ZINC000005337668 170087536 /nfs/dbraw/zinc/08/75/36/170087536.db2.gz ORNFZXFXANYWDA-UHFFFAOYSA-N 0 0 250.345 4.397 10 0 CIAERN C[C@@H](O)CC1c2ccccc2C=Cc2ccccc21 ZINC000005370769 170089921 /nfs/dbraw/zinc/08/99/21/170089921.db2.gz ZILUGPYFSFCPPG-CYBMUJFWSA-N 0 0 250.341 4.073 10 0 CIAERN Cc1cc(C)n([C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000005379348 170091621 /nfs/dbraw/zinc/09/16/21/170091621.db2.gz NREIKYBHYCGGPY-IBGZPJMESA-N 0 0 276.383 4.332 10 0 CIAERN Cc1ccnc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000005394657 170094307 /nfs/dbraw/zinc/09/43/07/170094307.db2.gz HEQRGAFCQRYQBR-RMKNXTFCSA-N 0 0 280.371 4.165 10 0 CIAERN CCCCCNC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000005463669 170101580 /nfs/dbraw/zinc/10/15/80/170101580.db2.gz COPMRDKEDATTCG-FMIVXFBMSA-N 0 0 259.393 4.130 10 0 CIAERN Cc1ccc(C(C)(C)C)cc1C(=O)c1ccc(N)cc1 ZINC000005520591 170107581 /nfs/dbraw/zinc/10/75/81/170107581.db2.gz IOVSJZFJWIWQEG-UHFFFAOYSA-N 0 0 267.372 4.106 10 0 CIAERN CCN(C(=O)C(C)(C)C)c1cccc2ccccc21 ZINC000005573456 170114996 /nfs/dbraw/zinc/11/49/96/170114996.db2.gz MQRXRHVQMFAEJL-UHFFFAOYSA-N 0 0 255.361 4.239 10 0 CIAERN CC[C@H](C(=O)n1c(C)nc2ccccc21)c1ccccc1 ZINC000005663729 170125523 /nfs/dbraw/zinc/12/55/23/170125523.db2.gz IDJQVCWUBAOZTN-HNNXBMFYSA-N 0 0 278.355 4.179 10 0 CIAERN C(=C/c1nc2ccccc2o1)\c1nc2ccccc2o1 ZINC000005669745 170125994 /nfs/dbraw/zinc/12/59/94/170125994.db2.gz ABEOQSWLOAHSPF-MDZDMXLPSA-N 0 0 262.268 4.139 10 0 CIAERN Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000005675661 170127162 /nfs/dbraw/zinc/12/71/62/170127162.db2.gz VNSGZUMNYHSFOP-RMKNXTFCSA-N 0 0 291.272 4.064 10 0 CIAERN CC(C)Sc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000005676943 170127214 /nfs/dbraw/zinc/12/72/14/170127214.db2.gz WPUZJJKHVWXKHO-SECBINFHSA-N 0 0 278.446 4.317 10 0 CIAERN Cc1ccc2[nH]c(=NC(=O)Oc3ccccc3)sc2c1 ZINC000005815195 170142433 /nfs/dbraw/zinc/14/24/33/170142433.db2.gz SDWVIOLBHKVKEI-UHFFFAOYSA-N 0 0 284.340 4.216 10 0 CIAERN CC[C@@H](c1ccc(O)cc1)[C@H](C)c1ccc(O)cc1 ZINC000005923220 170155828 /nfs/dbraw/zinc/15/58/28/170155828.db2.gz PYYFTORPKDTZJF-SJKOYZFVSA-N 0 0 256.345 4.395 10 0 CIAERN CSC1=CC[C@H](CC2=C(C(F)(F)F)N=NC2=O)C=C1 ZINC000006019674 170169320 /nfs/dbraw/zinc/16/93/20/170169320.db2.gz WZECYRMGVFUIDO-SSDOTTSWSA-N 0 0 288.294 4.008 10 0 CIAERN Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)n1 ZINC000006072161 170174273 /nfs/dbraw/zinc/17/42/73/170174273.db2.gz XYJIBRYJJRDFOQ-UHFFFAOYSA-N 0 0 272.710 4.398 10 0 CIAERN O=C(Nc1ncc(-c2ccccc2)o1)OCc1ccccc1 ZINC000006096390 170176085 /nfs/dbraw/zinc/17/60/85/170176085.db2.gz ZYIPABRMGYNQKB-UHFFFAOYSA-N 0 0 294.310 4.090 10 0 CIAERN Cc1ccccc1C(=O)Nc1ccccc1C1CC1 ZINC000006234569 170184509 /nfs/dbraw/zinc/18/45/09/170184509.db2.gz CFOKEWJBKIAHTM-UHFFFAOYSA-N 0 0 251.329 4.125 10 0 CIAERN Cc1csc(NC(=O)/C=C/c2ccc(C(C)C)cc2)n1 ZINC000006319345 170191015 /nfs/dbraw/zinc/19/10/15/170191015.db2.gz PGEDXUQDXLOIFR-RMKNXTFCSA-N 0 0 286.400 4.227 10 0 CIAERN CCOP(=O)(OCC)[C@@H](O)c1cccc2ccccc21 ZINC000006402400 170198655 /nfs/dbraw/zinc/19/86/55/170198655.db2.gz SBXJHSQQBUMQMD-OAHLLOKOSA-N 0 0 294.287 4.097 10 0 CIAERN CC[C@H](Oc1ccccc1)C(=O)N(CC)c1ccccc1C ZINC000006440023 170201573 /nfs/dbraw/zinc/20/15/73/170201573.db2.gz CPPZURMQWBMFKW-SFHVURJKSA-N 0 0 297.398 4.206 10 0 CIAERN C/C(=C/c1ccccc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000006470905 170203689 /nfs/dbraw/zinc/20/36/89/170203689.db2.gz DCSPZZNZJVDEDP-BHWVZIDZSA-N 0 0 293.410 4.227 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000006479200 170204167 /nfs/dbraw/zinc/20/41/67/170204167.db2.gz HHMQVIWSJBRJBN-WYMLVPIESA-N 0 0 251.329 4.037 10 0 CIAERN Cc1ccc(C(=O)C=C(Cl)C(Cl)Cl)cc1 ZINC000006522453 170209631 /nfs/dbraw/zinc/20/96/31/170209631.db2.gz ZOZDGQZLQYLOMU-UHFFFAOYSA-N 0 0 263.551 4.453 10 0 CIAERN CC[C@@H](C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006573834 170214680 /nfs/dbraw/zinc/21/46/80/170214680.db2.gz GSFHTUIWCKEEIT-SULWINFOSA-N 0 0 279.383 4.142 10 0 CIAERN O=[S@]1c2ccccc2SN1C1CCCCCCC1 ZINC000006583368 170215554 /nfs/dbraw/zinc/21/55/54/170215554.db2.gz YKQIIIBMOQSGJD-GOSISDBHSA-N 0 0 281.446 4.145 10 0 CIAERN OCc1cc(Cl)ccc1Sc1cccc(F)c1 ZINC000006926150 170255693 /nfs/dbraw/zinc/25/56/93/170255693.db2.gz KTTOWZJNFYYNOC-UHFFFAOYSA-N 0 0 268.740 4.123 10 0 CIAERN CCc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1 ZINC000006942202 170257553 /nfs/dbraw/zinc/25/75/53/170257553.db2.gz CQMHWDNKZFDABT-UHFFFAOYSA-N 0 0 299.443 4.124 10 0 CIAERN Cc1csc(SCC(=O)c2cc3ccccc3o2)n1 ZINC000007196251 170270951 /nfs/dbraw/zinc/27/09/51/170270951.db2.gz LSUDWINGFWUZNZ-UHFFFAOYSA-N 0 0 289.381 4.173 10 0 CIAERN CC(C)c1ccc(N[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000007225127 170272752 /nfs/dbraw/zinc/27/27/52/170272752.db2.gz MORSBDXIEFXLOU-AWEZNQCLSA-N 0 0 288.435 4.059 10 0 CIAERN CCCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000007660272 170296505 /nfs/dbraw/zinc/29/65/05/170296505.db2.gz KOXMZQHALXTNMM-LFYBBSHMSA-N 0 0 299.345 4.266 10 0 CIAERN CC(C)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000007668937 170296844 /nfs/dbraw/zinc/29/68/44/170296844.db2.gz NVBZMLVJEYRDGY-UHFFFAOYSA-N 0 0 289.762 4.380 10 0 CIAERN CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000008106232 170319267 /nfs/dbraw/zinc/31/92/67/170319267.db2.gz NKUHIMLIEBNWRP-OAHLLOKOSA-N 0 0 297.398 4.272 10 0 CIAERN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 ZINC000008162880 170322074 /nfs/dbraw/zinc/32/20/74/170322074.db2.gz HAXZVALHHDAWGJ-MRXNPFEDSA-N 0 0 297.398 4.326 10 0 CIAERN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 ZINC000008162876 170322167 /nfs/dbraw/zinc/32/21/67/170322167.db2.gz JXHWOYYUJHACQY-MRXNPFEDSA-N 0 0 297.398 4.326 10 0 CIAERN COc1ccc(-c2nc(-c3ccc(O)cc3)sc2C)cc1 ZINC000008297607 170329435 /nfs/dbraw/zinc/32/94/35/170329435.db2.gz YAMRAHBLGKUSLO-UHFFFAOYSA-N 0 0 297.379 4.500 10 0 CIAERN Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(Cl)n1 ZINC000008491485 170337847 /nfs/dbraw/zinc/33/78/47/170337847.db2.gz XDXMXQVJHSJSKT-UHFFFAOYSA-N 0 0 295.169 4.258 10 0 CIAERN O=C(NC1CCCCC1)c1cccc(-c2cccs2)c1 ZINC000008512954 170338688 /nfs/dbraw/zinc/33/86/88/170338688.db2.gz NGCKHLPWCMCQPL-UHFFFAOYSA-N 0 0 285.412 4.478 10 0 CIAERN Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(F)cc1 ZINC000008548430 170339429 /nfs/dbraw/zinc/33/94/29/170339429.db2.gz QJTCPHIQZZSYAA-UHFFFAOYSA-N 0 0 298.292 4.074 10 0 CIAERN Cc1cc(C(=O)Nc2ccc(F)cc2)c2cc(F)ccc2n1 ZINC000008548993 170339582 /nfs/dbraw/zinc/33/95/82/170339582.db2.gz LOKWRSIRYWOMQV-UHFFFAOYSA-N 0 0 298.292 4.074 10 0 CIAERN CC(C)Cn1c(Cc2cccs2)nc2ccccc21 ZINC000008786984 170355936 /nfs/dbraw/zinc/35/59/36/170355936.db2.gz FEOZFVGWQCZIGJ-UHFFFAOYSA-N 0 0 270.401 4.345 10 0 CIAERN CCOc1cccc2cc(C(=O)Nc3ccc(F)cc3)oc21 ZINC000008960915 170359837 /nfs/dbraw/zinc/35/98/37/170359837.db2.gz PSUQNKVPCHKDJJ-UHFFFAOYSA-N 0 0 299.301 4.223 10 0 CIAERN Cc1ccc2n1CCN(C(=O)Nc1ccccc1)[C@H]2C(C)C ZINC000009528321 170380152 /nfs/dbraw/zinc/38/01/52/170380152.db2.gz HXQSYEZXBFPFRN-KRWDZBQOSA-N 0 0 297.402 4.041 10 0 CIAERN Cc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 ZINC000013472536 170553450 /nfs/dbraw/zinc/55/34/50/170553450.db2.gz PWYJJIJHWOOEFN-UHFFFAOYSA-N 0 0 274.323 4.189 10 0 CIAERN Cc1ccc2oc(-c3ccc(C)c(C)c3)cc(=O)c2c1 ZINC000013491186 170555938 /nfs/dbraw/zinc/55/59/38/170555938.db2.gz ZDWHIUPOFYUFTK-UHFFFAOYSA-N 0 0 264.324 4.385 10 0 CIAERN Cc1sc(N)c(C(=O)c2ccc3ccccc3c2)c1C ZINC000013493369 170556877 /nfs/dbraw/zinc/55/68/77/170556877.db2.gz YVTOFYLDMHXDOH-UHFFFAOYSA-N 0 0 281.380 4.331 10 0 CIAERN Fc1ccc(F)c(NC(=S)Nc2cccc(Cl)c2)c1 ZINC000013787639 170594490 /nfs/dbraw/zinc/59/44/90/170594490.db2.gz WVWAXCVVLSAGLC-UHFFFAOYSA-N 0 0 298.745 4.427 10 0 CIAERN Cc1ccc(Cl)cc1NC(=S)N1CCC[C@H](C)C1 ZINC000013826278 170600735 /nfs/dbraw/zinc/60/07/35/170600735.db2.gz BUDPCLCWDKJISH-JTQLQIEISA-N 0 0 282.840 4.077 10 0 CIAERN CCCCc1ccc(NC(=S)N2CCCCC2)cc1 ZINC000013825805 170600791 /nfs/dbraw/zinc/60/07/91/170600791.db2.gz ALSQSDNEIIZYSE-UHFFFAOYSA-N 0 0 276.449 4.212 10 0 CIAERN CC[C@H](Nc1ncnc2ccccc21)c1ccccc1 ZINC000013863974 170605901 /nfs/dbraw/zinc/60/59/01/170605901.db2.gz LMCSPWSAHNTHIH-HNNXBMFYSA-N 0 0 263.344 4.193 10 0 CIAERN Cc1ccccc1OC(=O)c1ccc(OC(C)C)cc1 ZINC000014780177 170645275 /nfs/dbraw/zinc/64/52/75/170645275.db2.gz KUFJEMUMJULCKJ-UHFFFAOYSA-N 0 0 270.328 4.001 10 0 CIAERN CC(C)[C@H](C)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017054242 170724278 /nfs/dbraw/zinc/72/42/78/170724278.db2.gz FXVJTBQZBZLOBN-HNNXBMFYSA-N 0 0 297.398 4.040 10 0 CIAERN Nc1ccc(Cl)cc1NC(=O)c1cccc2ccccc21 ZINC000019268195 170765644 /nfs/dbraw/zinc/76/56/44/170765644.db2.gz FCBZJSRTWLXLLI-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN NC(=S)c1ccccc1COc1ccc2ccccc2c1 ZINC000019806151 170874992 /nfs/dbraw/zinc/87/49/92/170874992.db2.gz YSBSGEMIRSEVGG-UHFFFAOYSA-N 0 0 293.391 4.053 10 0 CIAERN Nc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000019811230 170879209 /nfs/dbraw/zinc/87/92/09/170879209.db2.gz PGAXOMUGCPJQHV-UHFFFAOYSA-N 0 0 296.157 4.220 10 0 CIAERN CC(=O)c1cc(F)ccc1Sc1ccc(F)cc1 ZINC000019871746 170902275 /nfs/dbraw/zinc/90/22/75/170902275.db2.gz CEGDJNFSCXRYLR-UHFFFAOYSA-N 0 0 264.296 4.319 10 0 CIAERN CC(=O)c1c(F)cccc1Sc1ccccc1F ZINC000019871726 170902331 /nfs/dbraw/zinc/90/23/31/170902331.db2.gz BQRKMVQSHJZWDH-UHFFFAOYSA-N 0 0 264.296 4.319 10 0 CIAERN c1ccc(Oc2ccccc2N[C@H]2CCSC2)cc1 ZINC000019904211 170915852 /nfs/dbraw/zinc/91/58/52/170915852.db2.gz GRIHDJJZKGQDTD-ZDUSSCGKSA-N 0 0 271.385 4.396 10 0 CIAERN CCOc1ccccc1N[C@@H](CC)c1ccc(O)cc1 ZINC000019903939 170916180 /nfs/dbraw/zinc/91/61/80/170916180.db2.gz SUYWHEXFJOQQTJ-HNNXBMFYSA-N 0 0 271.360 4.354 10 0 CIAERN C[C@@H](Nc1ccccc1C(F)(F)F)c1ccccn1 ZINC000019905200 170916385 /nfs/dbraw/zinc/91/63/85/170916385.db2.gz HLLBXLQODSBIBN-SNVBAGLBSA-N 0 0 266.266 4.274 10 0 CIAERN Clc1cc(Cl)c(NC[C@H]2CCOC2)cc1Cl ZINC000019906306 170918371 /nfs/dbraw/zinc/91/83/71/170918371.db2.gz SKDUNXZNNBETLG-SSDOTTSWSA-N 0 0 280.582 4.095 10 0 CIAERN C[C@H](Nc1cc(F)ccc1F)c1cccc(F)c1 ZINC000019907914 170920160 /nfs/dbraw/zinc/92/01/60/170920160.db2.gz ZCXPWFFHHRBGBU-VIFPVBQESA-N 0 0 251.251 4.277 10 0 CIAERN C[C@@H](Nc1cccc(F)c1)c1c(F)cccc1F ZINC000019920697 170928303 /nfs/dbraw/zinc/92/83/03/170928303.db2.gz FUTWFEOKMKDUDU-SECBINFHSA-N 0 0 251.251 4.277 10 0 CIAERN CCOc1cc(CNc2ccc(Cl)cc2)ccc1O ZINC000019921025 170928771 /nfs/dbraw/zinc/92/87/71/170928771.db2.gz LZCNMEJHJAEBNY-UHFFFAOYSA-N 0 0 277.751 4.056 10 0 CIAERN Fc1ccc(NCc2cccc(Br)c2)c(F)c1 ZINC000019951701 170939704 /nfs/dbraw/zinc/93/97/04/170939704.db2.gz XBADQVHTSQTLSW-UHFFFAOYSA-N 0 0 298.130 4.339 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc(F)cc1F ZINC000019952247 170940122 /nfs/dbraw/zinc/94/01/22/170940122.db2.gz CCUKGVIRPLTTEP-MRVPVSSYSA-N 0 0 269.241 4.416 10 0 CIAERN CCc1ccccc1N[C@@H]1CCOc2ccccc21 ZINC000019956848 170942094 /nfs/dbraw/zinc/94/20/94/170942094.db2.gz WCBFGHCSLHZRGZ-MRXNPFEDSA-N 0 0 253.345 4.185 10 0 CIAERN Cc1cc(F)ccc1N[C@@H]1CCOc2ccccc21 ZINC000019961500 170943876 /nfs/dbraw/zinc/94/38/76/170943876.db2.gz UDHIDFKHBPOAPN-OAHLLOKOSA-N 0 0 257.308 4.070 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccccc2C)c(OC)c1 ZINC000019965094 170946425 /nfs/dbraw/zinc/94/64/25/170946425.db2.gz FBRTWDLXBIZUFD-CYBMUJFWSA-N 0 0 271.360 4.185 10 0 CIAERN CCOc1ccc(OCC)c(N[C@@H]2CCC[C@H](C)C2)c1 ZINC000020021804 170971725 /nfs/dbraw/zinc/97/17/25/170971725.db2.gz DIFGZNCXSIAMSV-UONOGXRCSA-N 0 0 277.408 4.475 10 0 CIAERN Fc1cccc(NCc2cc(F)ccc2Br)c1 ZINC000020051113 170979309 /nfs/dbraw/zinc/97/93/09/170979309.db2.gz CTAMJCBIXVJXDL-UHFFFAOYSA-N 0 0 298.130 4.339 10 0 CIAERN CSCCCNc1ccc(-c2csc(C)n2)cc1 ZINC000020147493 171034742 /nfs/dbraw/zinc/03/47/42/171034742.db2.gz QOVAKJCVKPQFCN-UHFFFAOYSA-N 0 0 278.446 4.284 10 0 CIAERN Cc1nc([C@H](C)N[C@@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148088 171036019 /nfs/dbraw/zinc/03/60/19/171036019.db2.gz SNWGDSZBLZTDRW-UWVGGRQHSA-N 0 0 278.396 4.311 10 0 CIAERN Cc1nc([C@H](C)N[C@@H](C)c2cccs2)c(C)s1 ZINC000020148661 171037212 /nfs/dbraw/zinc/03/72/12/171037212.db2.gz GGXNLHNPBOBMFI-IUCAKERBSA-N 0 0 266.435 4.233 10 0 CIAERN Oc1cccc(N[C@@H]2CCSc3ccccc32)c1 ZINC000020193713 171059508 /nfs/dbraw/zinc/05/95/08/171059508.db2.gz VGOBPCRQSULBPQ-CQSZACIVSA-N 0 0 257.358 4.041 10 0 CIAERN Cc1nc(CNc2ccccc2SC(F)F)cs1 ZINC000020252903 171104801 /nfs/dbraw/zinc/10/48/01/171104801.db2.gz IXPGFXKUFAQWGR-UHFFFAOYSA-N 0 0 286.372 4.378 10 0 CIAERN Cc1nc(-c2ccc(NCc3c(C)noc3C)cc2)cs1 ZINC000020253352 171105503 /nfs/dbraw/zinc/10/55/03/171105503.db2.gz CSNPVBBPELFILY-UHFFFAOYSA-N 0 0 299.399 4.335 10 0 CIAERN CC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020267822 171124440 /nfs/dbraw/zinc/12/44/40/171124440.db2.gz UZFHEYCJRPUELP-UHFFFAOYSA-N 0 0 255.100 4.456 10 0 CIAERN Cn1cccc1CNc1cc(C(F)(F)F)ccc1Cl ZINC000020358882 171158006 /nfs/dbraw/zinc/15/80/06/171158006.db2.gz YULJJZKBTAWUEX-UHFFFAOYSA-N 0 0 288.700 4.309 10 0 CIAERN COc1ccc2oc(C(=O)c3ccc(C)cc3)c(C)c2c1 ZINC000020362349 171161167 /nfs/dbraw/zinc/16/11/67/171161167.db2.gz DKKUPIUHVDTYEA-UHFFFAOYSA-N 0 0 280.323 4.289 10 0 CIAERN Nc1cnccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000020370697 171167763 /nfs/dbraw/zinc/16/77/63/171167763.db2.gz XAJXADJXTYMBNQ-UHFFFAOYSA-N 0 0 289.549 4.416 10 0 CIAERN Nc1ccccc1Oc1ccc(Br)cc1Cl ZINC000020372821 171169202 /nfs/dbraw/zinc/16/92/02/171169202.db2.gz RHXFPFBXKGPKGX-UHFFFAOYSA-N 0 0 298.567 4.477 10 0 CIAERN Nc1cccc(Cl)c1NCc1ccccc1Cl ZINC000020382732 171173174 /nfs/dbraw/zinc/17/31/74/171173174.db2.gz CWBGJNWNIYOCJN-UHFFFAOYSA-N 0 0 267.159 4.188 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1ccc(N)c(C(F)(F)F)c1 ZINC000020383685 171174412 /nfs/dbraw/zinc/17/44/12/171174412.db2.gz ZXBNSUAQUSVAKO-ZANVPECISA-N 0 0 272.314 4.278 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1N ZINC000020383667 171174636 /nfs/dbraw/zinc/17/46/36/171174636.db2.gz XBWPJMKLEKKNMI-SKDRFNHKSA-N 0 0 272.314 4.278 10 0 CIAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000020389691 171179263 /nfs/dbraw/zinc/17/92/63/171179263.db2.gz AIJSNHBSMHPUNW-OAHLLOKOSA-N 0 0 275.710 4.273 10 0 CIAERN Oc1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000020391501 171180053 /nfs/dbraw/zinc/18/00/53/171180053.db2.gz PBLIRIZNKPOKJR-UHFFFAOYSA-N 0 0 255.100 4.491 10 0 CIAERN COC(=O)c1cccc(-c2ccc(C(C)C)cc2)c1 ZINC000020391611 171180142 /nfs/dbraw/zinc/18/01/42/171180142.db2.gz OHWQRYMEJWQUKN-UHFFFAOYSA-N 0 0 254.329 4.264 10 0 CIAERN CC(C)[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430484 171195242 /nfs/dbraw/zinc/19/52/42/171195242.db2.gz IDMNWSQUJTUMBD-MRVPVSSYSA-N 0 0 260.150 4.045 10 0 CIAERN Cc1ccc(CNc2ccc(F)cc2Br)o1 ZINC000020430584 171195628 /nfs/dbraw/zinc/19/56/28/171195628.db2.gz UNYJTGQYEIGCTA-UHFFFAOYSA-N 0 0 284.128 4.102 10 0 CIAERN C[C@H](Nc1ccc(F)cc1Br)c1cccnc1 ZINC000020430523 171195653 /nfs/dbraw/zinc/19/56/53/171195653.db2.gz QUILCYPGYYTVEY-VIFPVBQESA-N 0 0 295.155 4.156 10 0 CIAERN O=Cc1cc2ccccc2nc1Oc1ccc(Cl)cc1 ZINC000020445341 171206154 /nfs/dbraw/zinc/20/61/54/171206154.db2.gz CKFCWLAHVZXHNT-UHFFFAOYSA-N 0 0 283.714 4.493 10 0 CIAERN Cc1ccc(Nc2ccc(C(N)=S)cc2)c(Cl)c1 ZINC000020471441 171214024 /nfs/dbraw/zinc/21/40/24/171214024.db2.gz XQFGVWQQLOGYNV-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN Nc1ccc(Sc2ccccc2Cl)c(F)c1 ZINC000020474975 171219098 /nfs/dbraw/zinc/21/90/98/171219098.db2.gz TZWUITMRXAIBSV-UHFFFAOYSA-N 0 0 253.729 4.213 10 0 CIAERN Nc1ccc(Sc2ccc(Cl)cc2)c(F)c1 ZINC000020474962 171219113 /nfs/dbraw/zinc/21/91/13/171219113.db2.gz MJFPWNHQBLNHNO-UHFFFAOYSA-N 0 0 253.729 4.213 10 0 CIAERN CC(C)c1cccc(Nc2ccccc2C(N)=S)c1 ZINC000020475664 171219649 /nfs/dbraw/zinc/21/96/49/171219649.db2.gz RBHJWWBVSYATMP-UHFFFAOYSA-N 0 0 270.401 4.188 10 0 CIAERN CC(C)c1cccc(Nc2ccc(C(N)=S)cc2)c1 ZINC000020475665 171219992 /nfs/dbraw/zinc/21/99/92/171219992.db2.gz FJCZDPXTXGZPKX-UHFFFAOYSA-N 0 0 270.401 4.188 10 0 CIAERN C[C@@H](Nc1c(F)cccc1F)c1cccc(F)c1 ZINC000020476103 171220476 /nfs/dbraw/zinc/22/04/76/171220476.db2.gz MJWBYNXIWQCRPZ-SECBINFHSA-N 0 0 251.251 4.277 10 0 CIAERN CCCCN(CCCC)c1ccc(Cl)cc1N ZINC000020484617 171224403 /nfs/dbraw/zinc/22/44/03/171224403.db2.gz OMQLOVLWZOZBLY-UHFFFAOYSA-N 0 0 254.805 4.329 10 0 CIAERN CCCCCCOc1ccc(N)c(C(F)(F)F)c1 ZINC000020507090 171228688 /nfs/dbraw/zinc/22/86/88/171228688.db2.gz INXCLNFTQVXYPM-UHFFFAOYSA-N 0 0 261.287 4.247 10 0 CIAERN CCCCCC[C@H](C)Oc1ccc(C(N)=S)cc1 ZINC000020515181 171231854 /nfs/dbraw/zinc/23/18/54/171231854.db2.gz MLIJOSNRIBBLIF-LBPRGKRZSA-N 0 0 265.422 4.059 10 0 CIAERN CC(=O)c1ccccc1O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000020516899 171232725 /nfs/dbraw/zinc/23/27/25/171232725.db2.gz VSRONJKKUNEHSI-GXTWGEPZSA-N 0 0 260.377 4.483 10 0 CIAERN C[C@H]1C[C@@H](Oc2ccc(C=O)cc2F)CC(C)(C)C1 ZINC000020517142 171232733 /nfs/dbraw/zinc/23/27/33/171232733.db2.gz FMQGJHAQKHEOEJ-WCQYABFASA-N 0 0 264.340 4.232 10 0 CIAERN C[C@H]1CC=CC[C@H]1COc1cccc(Cl)c1C=O ZINC000020519340 171233636 /nfs/dbraw/zinc/23/36/36/171233636.db2.gz VESMIGJZWUXOSW-RYUDHWBXSA-N 0 0 264.752 4.134 10 0 CIAERN Nc1ccc(F)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000020521692 171234891 /nfs/dbraw/zinc/23/48/91/171234891.db2.gz OIWNUYKEIRVBSA-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccccc1Br ZINC000020524394 171237204 /nfs/dbraw/zinc/23/72/04/171237204.db2.gz JCUOVPWAPBQQQZ-JTQLQIEISA-N 0 0 286.213 4.065 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cccc2ccccc21 ZINC000020524196 171237262 /nfs/dbraw/zinc/23/72/62/171237262.db2.gz UFPWRQCEJWBWFU-CYBMUJFWSA-N 0 0 257.377 4.455 10 0 CIAERN CCc1ccc([C@H](C)Nc2cc(OC)ccc2OC)cc1 ZINC000020547548 171244831 /nfs/dbraw/zinc/24/48/31/171244831.db2.gz IAEVKTZSNCHCSR-ZDUSSCGKSA-N 0 0 285.387 4.439 10 0 CIAERN Cc1nc(-c2ccc(N[C@H](C)C3CC3)cc2)cs1 ZINC000020548437 171245308 /nfs/dbraw/zinc/24/53/08/171245308.db2.gz NKVPMRIBKJBYCD-SNVBAGLBSA-N 0 0 258.390 4.329 10 0 CIAERN CCc1ccc(CNc2cccc3ncccc32)cc1 ZINC000020548208 171245506 /nfs/dbraw/zinc/24/55/06/171245506.db2.gz JIASPRNBXHBWBT-UHFFFAOYSA-N 0 0 262.356 4.409 10 0 CIAERN CC(C)Oc1ccc([C@@H](C)NCc2ccco2)cc1F ZINC000020549979 171246640 /nfs/dbraw/zinc/24/66/40/171246640.db2.gz LEZUDYDIAZETOZ-GFCCVEGCSA-N 0 0 277.339 4.057 10 0 CIAERN Brc1cccc(NCCCc2ccccc2)c1 ZINC000020549848 171246769 /nfs/dbraw/zinc/24/67/69/171246769.db2.gz ZYTPAQXFXHJDCV-UHFFFAOYSA-N 0 0 290.204 4.494 10 0 CIAERN CCN(c1ccc(C(C)=O)cc1)c1ccccc1C ZINC000020552933 171248090 /nfs/dbraw/zinc/24/80/90/171248090.db2.gz APRXYWLPDBPVOU-UHFFFAOYSA-N 0 0 253.345 4.356 10 0 CIAERN C[C@H](Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000020557298 171250445 /nfs/dbraw/zinc/25/04/45/171250445.db2.gz IAUCFCKOINVVDW-AWEZNQCLSA-N 0 0 251.373 4.488 10 0 CIAERN CCC[C@H](C)Nc1ccc(Br)cc1C ZINC000020557669 171250809 /nfs/dbraw/zinc/25/08/09/171250809.db2.gz HOYPWLSFUGAPOS-JTQLQIEISA-N 0 0 256.187 4.358 10 0 CIAERN Cc1ccc(N[C@H](C)C(C)C)c(Br)c1 ZINC000020559673 171251063 /nfs/dbraw/zinc/25/10/63/171251063.db2.gz OVZKBNVEFWFQMU-SNVBAGLBSA-N 0 0 256.187 4.214 10 0 CIAERN FC1(F)Oc2ccc(NCC3CCCCC3)cc2O1 ZINC000020560363 171251555 /nfs/dbraw/zinc/25/15/55/171251555.db2.gz ZYMLQEOIAFLFOT-UHFFFAOYSA-N 0 0 269.291 4.000 10 0 CIAERN CC1CCC(Oc2ccc(N)c(C(F)(F)F)c2)CC1 ZINC000020565241 171253983 /nfs/dbraw/zinc/25/39/83/171253983.db2.gz SHGZIARDAGSUJQ-UHFFFAOYSA-N 0 0 273.298 4.245 10 0 CIAERN CC(=O)c1ccc(Oc2ccc(C)cc2C)c(F)c1 ZINC000020567365 171255213 /nfs/dbraw/zinc/25/52/13/171255213.db2.gz OFKUDOCTYFMCPH-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN Cc1c(Cl)cccc1Nc1ccc(N)cc1F ZINC000020584937 171258119 /nfs/dbraw/zinc/25/81/19/171258119.db2.gz VZNRUMYUQXMHGP-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN CCOc1ccccc1Nc1c(N)cccc1Cl ZINC000020584838 171258164 /nfs/dbraw/zinc/25/81/64/171258164.db2.gz FFGIXWVDDDZFPY-UHFFFAOYSA-N 0 0 262.740 4.065 10 0 CIAERN Cc1cc(Br)ccc1Nc1ccc(F)cc1N ZINC000020584985 171258460 /nfs/dbraw/zinc/25/84/60/171258460.db2.gz PLINFCXQKPYOOP-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Nc1ccc(Nc2cccc(Cl)c2)c(Cl)c1 ZINC000020585492 171258820 /nfs/dbraw/zinc/25/88/20/171258820.db2.gz XRQRJTVOZGCBHO-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Cc1ccc(F)c(Nc2c(N)cccc2Cl)c1 ZINC000020585865 171258861 /nfs/dbraw/zinc/25/88/61/171258861.db2.gz KRMRWLZUYRFJJF-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(F)c(Nc2ccc(Cl)cc2N)c1 ZINC000020585872 171258915 /nfs/dbraw/zinc/25/89/15/171258915.db2.gz GPESVWDESYETFF-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1ccc(Nc2cccc(Cl)c2F)c(Cl)c1 ZINC000020585914 171258943 /nfs/dbraw/zinc/25/89/43/171258943.db2.gz PUTVKHXYKLCYJM-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN CC(=O)[C@H]1C[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020594337 171263422 /nfs/dbraw/zinc/26/34/22/171263422.db2.gz RWAVHIKVDLBQDO-SJORKVTESA-N 0 0 252.313 4.171 10 0 CIAERN CC(=O)[C@@H]1C[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020594334 171263479 /nfs/dbraw/zinc/26/34/79/171263479.db2.gz RWAVHIKVDLBQDO-DLBZAZTESA-N 0 0 252.313 4.171 10 0 CIAERN CC(C)CSc1nnc(C(C)(C)C)n1-c1ccccc1 ZINC000020838571 171275426 /nfs/dbraw/zinc/27/54/26/171275426.db2.gz NDPWLGBASIIYET-UHFFFAOYSA-N 0 0 289.448 4.313 10 0 CIAERN C[C@H](CNc1cccc2cccnc21)c1ccccc1 ZINC000021011781 171287204 /nfs/dbraw/zinc/28/72/04/171287204.db2.gz HWHUPSJUTVKHDA-CQSZACIVSA-N 0 0 262.356 4.450 10 0 CIAERN Cc1ccc(N[C@H](C)CCc2ccc(O)cc2)c(C)c1 ZINC000021012238 171287437 /nfs/dbraw/zinc/28/74/37/171287437.db2.gz TZTUDIDWSYCPDU-OAHLLOKOSA-N 0 0 269.388 4.442 10 0 CIAERN C[C@@H]1CCc2cccc(OCCCc3ccccc3)c2N1 ZINC000021012105 171287572 /nfs/dbraw/zinc/28/75/72/171287572.db2.gz JLTJHEZSCBMSGQ-OAHLLOKOSA-N 0 0 281.399 4.445 10 0 CIAERN Nc1cccnc1Oc1ccc(Oc2ccccc2)cc1 ZINC000021012570 171287947 /nfs/dbraw/zinc/28/79/47/171287947.db2.gz LKCSRDHYUZWFFZ-UHFFFAOYSA-N 0 0 278.311 4.248 10 0 CIAERN COc1ccc(Cl)cc1NC1CCC(C)CC1 ZINC000021013792 171288777 /nfs/dbraw/zinc/28/87/77/171288777.db2.gz UISUXLISUXWIEO-UHFFFAOYSA-N 0 0 253.773 4.339 10 0 CIAERN COc1ccc(C)cc1NCCCc1ccccc1 ZINC000021013907 171288788 /nfs/dbraw/zinc/28/87/88/171288788.db2.gz WSVTVVLDTONDAM-UHFFFAOYSA-N 0 0 255.361 4.048 10 0 CIAERN COc1ccc2c(c1)CCC[C@H]2Nc1cc(F)cc(F)c1 ZINC000021027032 171291158 /nfs/dbraw/zinc/29/11/58/171291158.db2.gz WPCSSROHXOBNHQ-QGZVFWFLSA-N 0 0 289.325 4.463 10 0 CIAERN CC(=O)c1cc(F)ccc1O[C@H]1CCCc2ccccc21 ZINC000021045192 171294141 /nfs/dbraw/zinc/29/41/41/171294141.db2.gz RAYCIHGRKWJHCF-KRWDZBQOSA-N 0 0 284.330 4.485 10 0 CIAERN C[C@@H]1Cc2ccccc2N1c1c(N)cccc1Cl ZINC000021044572 171294274 /nfs/dbraw/zinc/29/42/74/171294274.db2.gz NGSZCJQECUSLLE-SNVBAGLBSA-N 0 0 258.752 4.005 10 0 CIAERN CCOc1ccc(OCC)c(NC2CCCCC2)c1 ZINC000021051492 171295268 /nfs/dbraw/zinc/29/52/68/171295268.db2.gz PNVAKJVLHUJAOS-UHFFFAOYSA-N 0 0 263.381 4.229 10 0 CIAERN COc1cc(Cl)c(C)cc1NC1CCCCC1 ZINC000021061307 171297313 /nfs/dbraw/zinc/29/73/13/171297313.db2.gz KDBCFCJHQNUMAA-UHFFFAOYSA-N 0 0 253.773 4.402 10 0 CIAERN CC1CCC(Oc2ccc(C(F)(F)F)cc2N)CC1 ZINC000021500644 171304974 /nfs/dbraw/zinc/30/49/74/171304974.db2.gz MHAKGHRDQXLINP-UHFFFAOYSA-N 0 0 273.298 4.245 10 0 CIAERN Cc1ccc(N[C@@H](C)CCc2ccc(O)cc2)cc1C ZINC000021500783 171305414 /nfs/dbraw/zinc/30/54/14/171305414.db2.gz BICLBVUZZZEFKA-HNNXBMFYSA-N 0 0 269.388 4.442 10 0 CIAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(F)c1 ZINC000021502727 171306237 /nfs/dbraw/zinc/30/62/37/171306237.db2.gz ZGVMHZFATQEZFU-SECBINFHSA-N 0 0 295.260 4.320 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(F)cc1N ZINC000021513619 171311302 /nfs/dbraw/zinc/31/13/02/171311302.db2.gz FABLSEMNPZNULT-FFSVYQOJSA-N 0 0 265.372 4.248 10 0 CIAERN C[C@H]1CCC[C@@H](Nc2ccccc2OC(F)F)C1 ZINC000021514995 171311846 /nfs/dbraw/zinc/31/18/46/171311846.db2.gz OAWNTGVPHFWQQB-WDEREUQCSA-N 0 0 255.308 4.279 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccccc2OC(F)F)C1 ZINC000021514993 171312009 /nfs/dbraw/zinc/31/20/09/171312009.db2.gz OAWNTGVPHFWQQB-GHMZBOCLSA-N 0 0 255.308 4.279 10 0 CIAERN Cc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1N ZINC000021515552 171312075 /nfs/dbraw/zinc/31/20/75/171312075.db2.gz ILQZXEUXTPKDNW-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CCC[C@@H](C)Nc1ccc(Br)c(C)c1 ZINC000021517456 171313592 /nfs/dbraw/zinc/31/35/92/171313592.db2.gz UMRCZIZHIPMJHZ-SNVBAGLBSA-N 0 0 256.187 4.358 10 0 CIAERN CC(C)C[C@@H](C)Nc1cccc(Br)c1 ZINC000021517881 171314092 /nfs/dbraw/zinc/31/40/92/171314092.db2.gz NBVOTULZVTWQHD-SNVBAGLBSA-N 0 0 256.187 4.296 10 0 CIAERN Cc1cc(Br)cc(C)c1NC1CCCC1 ZINC000021518137 171314589 /nfs/dbraw/zinc/31/45/89/171314589.db2.gz SYNFFVSMRQFUQJ-UHFFFAOYSA-N 0 0 268.198 4.420 10 0 CIAERN COc1ccc(Oc2ccccc2N)c(C(C)(C)C)c1 ZINC000021791782 171324369 /nfs/dbraw/zinc/32/43/69/171324369.db2.gz GKVROHUNHXRBQM-UHFFFAOYSA-N 0 0 271.360 4.367 10 0 CIAERN FC(F)(F)c1cccc(NCCc2ccccc2)c1 ZINC000021802322 171326392 /nfs/dbraw/zinc/32/63/92/171326392.db2.gz UYILXWNHHLHSLO-UHFFFAOYSA-N 0 0 265.278 4.360 10 0 CIAERN C[C@@H](Nc1nccs1)C12CC3CC(CC(C3)C1)C2 ZINC000021805502 171327351 /nfs/dbraw/zinc/32/73/51/171327351.db2.gz SHIDBLNHZJAZGM-QFGHMXTESA-N 0 0 262.422 4.160 10 0 CIAERN CC[C@H](C)CNc1ccc(Br)cc1F ZINC000021805890 171327470 /nfs/dbraw/zinc/32/74/70/171327470.db2.gz ZQJASPOJXJMIPC-QMMMGPOBSA-N 0 0 260.150 4.046 10 0 CIAERN CC(=O)c1cc(F)ccc1N1c2ccccc2C[C@@H]1C ZINC000021812140 171329614 /nfs/dbraw/zinc/32/96/14/171329614.db2.gz FKRWOLBCQFXZFF-NSHDSACASA-N 0 0 269.319 4.111 10 0 CIAERN COc1cc(N[C@@H]2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000021812028 171329742 /nfs/dbraw/zinc/32/97/42/171329742.db2.gz QSGFPYUORLKHBW-CMPLNLGQSA-N 0 0 283.799 4.348 10 0 CIAERN Cc1ccc(O)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1 ZINC000021812249 171329815 /nfs/dbraw/zinc/32/98/15/171329815.db2.gz RBMHIRFSBQFSOY-UHFFFAOYSA-N 0 0 283.371 4.250 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(Cl)cc1N ZINC000021816891 171332977 /nfs/dbraw/zinc/33/29/77/171332977.db2.gz HHLVCNCSIPVXSK-MFKMUULPSA-N 0 0 253.773 4.270 10 0 CIAERN C[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C=O ZINC000021817521 171333403 /nfs/dbraw/zinc/33/34/03/171333403.db2.gz AYOBMHURRATSSM-GWCFXTLKSA-N 0 0 252.741 4.110 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C=O ZINC000021817520 171333463 /nfs/dbraw/zinc/33/34/63/171333463.db2.gz AYOBMHURRATSSM-MFKMUULPSA-N 0 0 252.741 4.110 10 0 CIAERN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(C)c(C)c2)cc1 ZINC000021818526 171333703 /nfs/dbraw/zinc/33/37/03/171333703.db2.gz YDEVKWGSNNAULO-OAHLLOKOSA-N 0 0 282.387 4.051 10 0 CIAERN Nc1ccc(-c2ccccc2OC(F)(F)F)cc1Cl ZINC000021950921 171339795 /nfs/dbraw/zinc/33/97/95/171339795.db2.gz KWYOWWALZXQZPA-UHFFFAOYSA-N 0 0 287.668 4.488 10 0 CIAERN Cc1cc(Oc2ncc(Cl)cc2Cl)ccc1N ZINC000021960333 171342286 /nfs/dbraw/zinc/34/22/86/171342286.db2.gz VLDXCQMUDNHSMY-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN FC(F)(F)c1ccc(-n2ncc3sccc32)cc1 ZINC000021988168 171345605 /nfs/dbraw/zinc/34/56/05/171345605.db2.gz HPJJUKOZJCTATA-UHFFFAOYSA-N 0 0 268.263 4.106 10 0 CIAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(F)cc1 ZINC000022148957 171357590 /nfs/dbraw/zinc/35/75/90/171357590.db2.gz QIKFZZKLUIJFFC-SECBINFHSA-N 0 0 295.260 4.320 10 0 CIAERN CC[C@@H](C)CNc1ccc(C)cc1Br ZINC000022152590 171359529 /nfs/dbraw/zinc/35/95/29/171359529.db2.gz XRJFGQWRLSXBGC-SECBINFHSA-N 0 0 256.187 4.216 10 0 CIAERN Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1N ZINC000022154613 171361237 /nfs/dbraw/zinc/36/12/37/171361237.db2.gz WQJZXTSLHHQZDX-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN CSc1ccc(-c2ccc3c(c2)CCCN3)cc1 ZINC000022201365 171372467 /nfs/dbraw/zinc/37/24/67/171372467.db2.gz OGBZVVMBISAIDZ-UHFFFAOYSA-N 0 0 255.386 4.434 10 0 CIAERN C[C@H](NC(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000022584143 171392419 /nfs/dbraw/zinc/39/24/19/171392419.db2.gz ZBLDYIMRVJQFOL-VIFPVBQESA-N 0 0 295.716 4.109 10 0 CIAERN Cc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c(C)c1 ZINC000023651414 171425037 /nfs/dbraw/zinc/42/50/37/171425037.db2.gz JRRCHYGWEFXJQE-CYBMUJFWSA-N 0 0 287.790 4.448 10 0 CIAERN Cc1ccccc1[C@@H](C)NC(=O)c1c(F)cccc1Cl ZINC000023651867 171425085 /nfs/dbraw/zinc/42/50/85/171425085.db2.gz KBSXQMDGQRKARS-LLVKDONJSA-N 0 0 291.753 4.279 10 0 CIAERN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000028525073 171561938 /nfs/dbraw/zinc/56/19/38/171561938.db2.gz IRNSDCUGDAVGDQ-KRWDZBQOSA-N 0 0 298.773 4.038 10 0 CIAERN Clc1nc2ccsc2c(-c2cccs2)n1 ZINC000029046306 171584258 /nfs/dbraw/zinc/58/42/58/171584258.db2.gz GFDPXLUZWJSHBL-UHFFFAOYSA-N 0 0 252.751 4.073 10 0 in-vivo CIAERN Clc1ccc([C@H]2CCc3cccnc3O2)cc1Cl ZINC000029342179 171595149 /nfs/dbraw/zinc/59/51/49/171595149.db2.gz ZGZXPGYGYRATEU-CYBMUJFWSA-N 0 0 280.154 4.455 10 0 CIAERN Cc1ccc(Cl)c2cc(-c3ccccc3)c(=O)[nH]c12 ZINC000032099749 171696957 /nfs/dbraw/zinc/69/69/57/171696957.db2.gz JROXIQBNVVUVOA-UHFFFAOYSA-N 0 0 269.731 4.157 10 0 CIAERN CC(C)COc1ccccc1CNc1ccc(F)cc1 ZINC000032120640 171712048 /nfs/dbraw/zinc/71/20/48/171712048.db2.gz JRIIWTNTQJOVJA-UHFFFAOYSA-N 0 0 273.351 4.473 10 0 CIAERN O=C(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000032125743 171713429 /nfs/dbraw/zinc/71/34/29/171713429.db2.gz GQBKPVRWEFGFMF-UHFFFAOYSA-N 0 0 279.166 4.348 10 0 CIAERN O[C@H](CNc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000032128208 171714024 /nfs/dbraw/zinc/71/40/24/171714024.db2.gz QHDOTLQLJRKBAU-CQSZACIVSA-N 0 0 282.170 4.139 10 0 CIAERN C/C(=C/c1ccccc1)C(=O)n1cnc2cc(C)c(C)cc21 ZINC000033457610 171804319 /nfs/dbraw/zinc/80/43/19/171804319.db2.gz LDGWNXBLOZFFEZ-DHDCSXOGSA-N 0 0 290.366 4.397 10 0 CIAERN Oc1ccccc1Cc1nc2cc(Cl)ccc2s1 ZINC000033815372 171821544 /nfs/dbraw/zinc/82/15/44/171821544.db2.gz RANSTLYYIJRHAG-UHFFFAOYSA-N 0 0 275.760 4.246 10 0 CIAERN O=C(Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000034221138 171835064 /nfs/dbraw/zinc/83/50/64/171835064.db2.gz LVIPPFPAFLZUDL-UHFFFAOYSA-N 0 0 293.135 4.014 10 0 CIAERN Cc1ccc(C(=O)Cc2nc3ccccc3s2)cc1 ZINC000034332805 171837283 /nfs/dbraw/zinc/83/72/83/171837283.db2.gz ZNCQONMAMAFIHD-UHFFFAOYSA-N 0 0 267.353 4.030 10 0 CIAERN O[C@H](Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000034418597 171839245 /nfs/dbraw/zinc/83/92/45/171839245.db2.gz OHTIQHDMYVAVGE-LLVKDONJSA-N 0 0 273.184 4.331 10 0 CIAERN Cc1ccc2sc(NCc3ccccc3)nc2c1 ZINC000034651782 171847095 /nfs/dbraw/zinc/84/70/95/171847095.db2.gz AFTBIOKBGNTFAQ-UHFFFAOYSA-N 0 0 254.358 4.217 10 0 CIAERN C[C@@H](C(=O)c1cccc(Cl)c1)n1cnc2ccccc21 ZINC000034980401 171912891 /nfs/dbraw/zinc/91/28/91/171912891.db2.gz JYAPSPHGDXGYNS-NSHDSACASA-N 0 0 284.746 4.134 10 0 CIAERN CC(C)(C)SCCCC(=O)c1ccc(F)cc1 ZINC000034981009 171913845 /nfs/dbraw/zinc/91/38/45/171913845.db2.gz HTQWXGCBYDWSLH-UHFFFAOYSA-N 0 0 254.370 4.320 10 0 CIAERN Clc1ccc(Nc2ncc(Br)s2)cc1 ZINC000034987399 171914318 /nfs/dbraw/zinc/91/43/18/171914318.db2.gz NODIMWRKZZLBMF-UHFFFAOYSA-N 0 0 289.585 4.303 10 0 CIAERN C[C@@H](SCc1ccccc1)C(=O)c1ccc(F)cc1F ZINC000035046929 171950324 /nfs/dbraw/zinc/95/03/24/171950324.db2.gz UTIGOAXSKRZODB-LLVKDONJSA-N 0 0 292.350 4.469 10 0 CIAERN Cc1c2cc(C)ccc2oc1C(=O)c1cccs1 ZINC000035118670 171989188 /nfs/dbraw/zinc/98/91/88/171989188.db2.gz DIGHSNYXKKQADE-UHFFFAOYSA-N 0 0 256.326 4.342 10 0 CIAERN c1ccc(-c2ccccc2NC[C@H]2CCCCO2)cc1 ZINC000035150825 172013696 /nfs/dbraw/zinc/01/36/96/172013696.db2.gz LPFDLQLTDYIHGP-MRXNPFEDSA-N 0 0 267.372 4.335 10 0 CIAERN Cc1ccc(OCC(=O)c2ccccc2Cl)c(C)c1 ZINC000035181791 172035276 /nfs/dbraw/zinc/03/52/76/172035276.db2.gz XKSRJMJAUUOWQW-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN O=C(COc1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000035181722 172035319 /nfs/dbraw/zinc/03/53/19/172035319.db2.gz LYXXTVCQVNGIHR-UHFFFAOYSA-N 0 0 286.758 4.090 10 0 CIAERN CC(C)(C)c1ccc(OCC(=O)c2ccccc2)cc1 ZINC000035182096 172035600 /nfs/dbraw/zinc/03/56/00/172035600.db2.gz SYAGRJHYUQWNKI-UHFFFAOYSA-N 0 0 268.356 4.246 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000035181808 172035675 /nfs/dbraw/zinc/03/56/75/172035675.db2.gz UCOUZNUDRSGBLC-HNNXBMFYSA-N 0 0 268.356 4.262 10 0 CIAERN Cc1ccc(OCC(=O)c2ccc(Cl)s2)cc1C ZINC000035182348 172036008 /nfs/dbraw/zinc/03/60/08/172036008.db2.gz GESOIBGSBIUWPD-UHFFFAOYSA-N 0 0 280.776 4.280 10 0 CIAERN CC[C@H](C)S[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182588 172036072 /nfs/dbraw/zinc/03/60/72/172036072.db2.gz CEJDPETULWQKJW-UWVGGRQHSA-N 0 0 256.798 4.443 10 0 CIAERN CC[C@H](C)SCC(=O)c1c(C)cc(C)cc1C ZINC000035182554 172036219 /nfs/dbraw/zinc/03/62/19/172036219.db2.gz LCVPKXOXDDDBJI-ZDUSSCGKSA-N 0 0 250.407 4.326 10 0 CIAERN CCc1ccccc1O[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000035182453 172036241 /nfs/dbraw/zinc/03/62/41/172036241.db2.gz DVTDDXWQMPFQBV-LBPRGKRZSA-N 0 0 272.319 4.038 10 0 CIAERN O=C(COc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035183523 172036783 /nfs/dbraw/zinc/03/67/83/172036783.db2.gz FIEGMDUBRKFRPT-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(C)c(C)c2)cc1 ZINC000035183656 172036915 /nfs/dbraw/zinc/03/69/15/172036915.db2.gz PTPYBLQBNHTYJJ-HNNXBMFYSA-N 0 0 268.356 4.262 10 0 CIAERN Cc1ccc(O[C@H](C)C(=O)c2cc(C)ccc2C)cc1 ZINC000035183653 172036979 /nfs/dbraw/zinc/03/69/79/172036979.db2.gz KPNAVQMGBVGURI-OAHLLOKOSA-N 0 0 268.356 4.262 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)SCc2ccco2)cc1 ZINC000035183429 172037080 /nfs/dbraw/zinc/03/70/80/172037080.db2.gz YTNXRTNVSQVBTO-GFCCVEGCSA-N 0 0 260.358 4.093 10 0 CIAERN O=C(COc1ccccc1)c1cc(Cl)ccc1Cl ZINC000035183891 172037201 /nfs/dbraw/zinc/03/72/01/172037201.db2.gz AQZOXVIMTLHBPP-UHFFFAOYSA-N 0 0 281.138 4.255 10 0 CIAERN CC(C)c1ccc(C(=O)COc2cccc(F)c2)cc1 ZINC000035184123 172037272 /nfs/dbraw/zinc/03/72/72/172037272.db2.gz QZBKHNXMPVSPBF-UHFFFAOYSA-N 0 0 272.319 4.211 10 0 CIAERN CC(C)c1ccc(C(=O)COc2ccc(F)cc2)cc1 ZINC000035183874 172037472 /nfs/dbraw/zinc/03/74/72/172037472.db2.gz XBUXYJYKTQETJW-UHFFFAOYSA-N 0 0 272.319 4.211 10 0 CIAERN Cc1ccc(C)c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000035183845 172037576 /nfs/dbraw/zinc/03/75/76/172037576.db2.gz RMIOMUBVDKYWAI-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN O=C(COc1ccc2ccccc2c1)c1cccs1 ZINC000035184266 172037876 /nfs/dbraw/zinc/03/78/76/172037876.db2.gz LQKXRHXMYPXMAW-UHFFFAOYSA-N 0 0 268.337 4.163 10 0 CIAERN Cc1cccc(O[C@H](C)C(=O)c2ccc(F)cc2)c1C ZINC000035184350 172038168 /nfs/dbraw/zinc/03/81/68/172038168.db2.gz XDQZOGHDXZAFON-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN O=C(COc1cccc2ccccc21)c1cccs1 ZINC000035184140 172038275 /nfs/dbraw/zinc/03/82/75/172038275.db2.gz WBSOKQZSEINJGZ-UHFFFAOYSA-N 0 0 268.337 4.163 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000035184336 172038293 /nfs/dbraw/zinc/03/82/93/172038293.db2.gz SYJOREJZQRCPRD-HNNXBMFYSA-N 0 0 268.356 4.262 10 0 CIAERN Cc1nnc(Nc2ccc(F)c(Cl)c2)c2ccccc12 ZINC000035206193 172050084 /nfs/dbraw/zinc/05/00/84/172050084.db2.gz OTTCNVHTHHUAHM-UHFFFAOYSA-N 0 0 287.725 4.474 10 0 CIAERN CC(=O)CCCSc1ccc(C(C)(C)C)cc1 ZINC000035229301 172069907 /nfs/dbraw/zinc/06/99/07/172069907.db2.gz MIUWOIWWXHFXNM-UHFFFAOYSA-N 0 0 250.407 4.445 10 0 CIAERN C[C@H](Nc1ncccc1C(F)(F)F)c1cccs1 ZINC000035238080 172076772 /nfs/dbraw/zinc/07/67/72/172076772.db2.gz UELSBDWWAUTYCB-QMMMGPOBSA-N 0 0 272.295 4.335 10 0 CIAERN FC(F)(F)CNCc1cc(-c2cccs2)cs1 ZINC000035256104 172086043 /nfs/dbraw/zinc/08/60/43/172086043.db2.gz BXKCVBLOPUJIAY-UHFFFAOYSA-N 0 0 277.336 4.129 10 0 CIAERN Cc1cc(O[C@H]2CCCc3ccccc32)ccc1N ZINC000035278422 172097266 /nfs/dbraw/zinc/09/72/66/172097266.db2.gz YDSFHYYKBMEJEM-KRWDZBQOSA-N 0 0 253.345 4.034 10 0 CIAERN Cc1cc(Oc2ccccc2Br)ccc1N ZINC000035278446 172097548 /nfs/dbraw/zinc/09/75/48/172097548.db2.gz WHRKVTAVLHFQLR-UHFFFAOYSA-N 0 0 278.149 4.132 10 0 CIAERN Cc1cccc(Oc2ncc(Cl)cc2Cl)c1N ZINC000035283711 172101854 /nfs/dbraw/zinc/10/18/54/172101854.db2.gz PHEMPCXHEJJVTF-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Nc1cc(Cl)ccc1Nc1cc(Cl)ccc1F ZINC000035284527 172102879 /nfs/dbraw/zinc/10/28/79/172102879.db2.gz GFLMCOISCXDOJN-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN CCc1cc(OCc2cc(F)ccc2N)ccc1Cl ZINC000035308883 172122288 /nfs/dbraw/zinc/12/22/88/172122288.db2.gz OJAJIBVRPBIQGI-UHFFFAOYSA-N 0 0 279.742 4.203 10 0 CIAERN Nc1ccc(Oc2ccc(Cl)cc2)c2ncccc12 ZINC000035342201 172133993 /nfs/dbraw/zinc/13/39/93/172133993.db2.gz FTVJDWUPWFVWNB-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Nc1ccc(Nc2ccccc2Cl)c2ncccc12 ZINC000035342044 172134007 /nfs/dbraw/zinc/13/40/07/172134007.db2.gz ZPJZYLPCKRHFRN-UHFFFAOYSA-N 0 0 269.735 4.214 10 0 CIAERN Cc1ccc(C)c(Nc2ccc3scnc3c2N)c1 ZINC000035344490 172136522 /nfs/dbraw/zinc/13/65/22/172136522.db2.gz WGGBWBPEABTLMZ-UHFFFAOYSA-N 0 0 269.373 4.239 10 0 CIAERN CN(Cc1cccc(N)c1)Cc1c(Cl)cccc1Cl ZINC000035359987 172150618 /nfs/dbraw/zinc/15/06/18/172150618.db2.gz RSOUAJLDICOVOB-UHFFFAOYSA-N 0 0 295.213 4.208 10 0 CIAERN Cc1ccc(C)c(C(=O)c2cc3c(s2)CCC3)c1 ZINC000035368425 172159585 /nfs/dbraw/zinc/15/95/85/172159585.db2.gz MTLUVVAKKNMKHM-UHFFFAOYSA-N 0 0 256.370 4.085 10 0 CIAERN Cc1ccsc1C(=O)c1ccc2c(c1)CCCC2 ZINC000035368744 172160518 /nfs/dbraw/zinc/16/05/18/172160518.db2.gz DIUKPVRNKMSWOE-UHFFFAOYSA-N 0 0 256.370 4.166 10 0 CIAERN CCc1ccc(C(=O)c2cc3c(s2)CCC3)s1 ZINC000035369009 172160752 /nfs/dbraw/zinc/16/07/52/172160752.db2.gz XPPKOJXUSFWYSD-UHFFFAOYSA-N 0 0 262.399 4.092 10 0 CIAERN O=C(c1ccsc1)c1cc(Cl)sc1Cl ZINC000035379374 172162551 /nfs/dbraw/zinc/16/25/51/172162551.db2.gz NKPQSSPHDQGQIB-UHFFFAOYSA-N 0 0 263.170 4.347 10 0 CIAERN COc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1F ZINC000035423980 172192577 /nfs/dbraw/zinc/19/25/77/172192577.db2.gz UJGSBYGBWSVNHR-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1Cl)n1cccc1C=O ZINC000035431330 172199910 /nfs/dbraw/zinc/19/99/10/172199910.db2.gz RUBXETSKFQNZOG-VIFPVBQESA-N 0 0 268.143 4.217 10 0 CIAERN CN[C@@H](c1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000035469572 172220844 /nfs/dbraw/zinc/22/08/44/172220844.db2.gz YFSUPJYRKCKQTM-AWEZNQCLSA-N 0 0 285.696 4.066 10 0 CIAERN CCN[C@@H](c1cc(C)sc1C)C(F)(F)C(F)(F)F ZINC000035552019 172259465 /nfs/dbraw/zinc/25/94/65/172259465.db2.gz DBNIIKMQNUFNLI-VIFPVBQESA-N 0 0 287.297 4.213 10 0 CIAERN Cc1cccc(NC(=O)c2cc3cc(F)ccc3nc2C)c1 ZINC000035554318 172260859 /nfs/dbraw/zinc/26/08/59/172260859.db2.gz YDNHQJWTXUOFKQ-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN Cc1nc(COc2c3ccccc3ccc2[C@H](C)O)cs1 ZINC000035627982 172306686 /nfs/dbraw/zinc/30/66/86/172306686.db2.gz AXNUMSUHRFSLJB-NSHDSACASA-N 0 0 299.395 4.237 10 0 CIAERN Cc1ccc([C@H](N)c2oc3ccc(C)cc3c2C)s1 ZINC000035630559 172311893 /nfs/dbraw/zinc/31/18/93/172311893.db2.gz LSHOHUNGUDOBOJ-HNNXBMFYSA-N 0 0 271.385 4.468 10 0 CIAERN Cc1c2cc(C)ccc2oc1[C@H](N)c1ccc(F)cc1 ZINC000035630522 172311998 /nfs/dbraw/zinc/31/19/98/172311998.db2.gz ZIAVUHUGDMWQDU-MRXNPFEDSA-N 0 0 269.319 4.237 10 0 CIAERN Cc1cccc(Oc2ccc([C@H](C)O)cc2F)c1C ZINC000035632135 172314369 /nfs/dbraw/zinc/31/43/69/172314369.db2.gz WFDGAIPDXLUPNK-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN C[C@H](O)c1c(F)cccc1Oc1cccc(Cl)c1 ZINC000035632316 172314776 /nfs/dbraw/zinc/31/47/76/172314776.db2.gz VRTHULQKRNQTAK-VIFPVBQESA-N 0 0 266.699 4.325 10 0 CIAERN C[C@@H](O)c1cc(F)ccc1Oc1cccc2cccnc21 ZINC000035632463 172314896 /nfs/dbraw/zinc/31/48/96/172314896.db2.gz JNSHAPBRLMTWBJ-LLVKDONJSA-N 0 0 283.302 4.220 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccc([C@@H](C)O)cc1 ZINC000035632386 172314901 /nfs/dbraw/zinc/31/49/01/172314901.db2.gz SYKDIIDLNWNPHH-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN C[C@H](O)c1ccc(Oc2ccc3c(c2)CCC3)cc1 ZINC000035632450 172315118 /nfs/dbraw/zinc/31/51/18/172315118.db2.gz ULPACEDGXHYZLG-LBPRGKRZSA-N 0 0 254.329 4.021 10 0 CIAERN Cc1c(N)cccc1COc1cccc(C(C)C)c1 ZINC000035649348 172325203 /nfs/dbraw/zinc/32/52/03/172325203.db2.gz CZBUUQZPLCGUDK-UHFFFAOYSA-N 0 0 255.361 4.280 10 0 CIAERN Cc1c(N)cccc1COc1ccc(Cl)cc1Cl ZINC000035649372 172325350 /nfs/dbraw/zinc/32/53/50/172325350.db2.gz WJFLBSBTYATMJH-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN Cc1cc(OCc2cccc(N)c2C)ccc1Cl ZINC000035649432 172326252 /nfs/dbraw/zinc/32/62/52/172326252.db2.gz XBDKAICBPCUALL-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN Cc1ccc(NC2Cc3ccccc3C2)cc1Cl ZINC000035657834 172332585 /nfs/dbraw/zinc/33/25/85/172332585.db2.gz JAYKDKAKOVRVTQ-UHFFFAOYSA-N 0 0 257.764 4.228 10 0 CIAERN CCOC(=O)CCOc1cc(C)c(Cl)cc1C(C)C ZINC000035663467 172341889 /nfs/dbraw/zinc/34/18/89/172341889.db2.gz HDCVXCBDYQBPFM-UHFFFAOYSA-N 0 0 284.783 4.104 10 0 CIAERN Clc1cncc(Sc2ccc3ccccc3c2)n1 ZINC000035676537 172347203 /nfs/dbraw/zinc/34/72/03/172347203.db2.gz MUTXIIYQCPZNJM-UHFFFAOYSA-N 0 0 272.760 4.434 10 0 CIAERN C[C@@H](Nc1ccc(N)c(C(F)(F)F)c1)c1ccco1 ZINC000035739228 172393404 /nfs/dbraw/zinc/39/34/04/172393404.db2.gz TYOHFQDVBAIBQK-MRVPVSSYSA-N 0 0 270.254 4.054 10 0 CIAERN CCCCO[C@@H]1CCCCCCCCCC[C@H]1O ZINC000035924145 172424481 /nfs/dbraw/zinc/42/44/81/172424481.db2.gz VIVWISOMIANQHS-HZPDHXFCSA-N 0 0 256.430 4.447 10 0 CIAERN CCCCN(C)c1nc(Cl)nc2sc(CC)cc21 ZINC000036276867 172567943 /nfs/dbraw/zinc/56/79/43/172567943.db2.gz STNVRNMPFQNKFC-UHFFFAOYSA-N 0 0 283.828 4.143 10 0 CIAERN Cc1cccc(Nc2nc(Cl)nc3sccc32)c1 ZINC000036277442 172568758 /nfs/dbraw/zinc/56/87/58/172568758.db2.gz BFEHFXRIJQRPED-UHFFFAOYSA-N 0 0 275.764 4.397 10 0 CIAERN CCCc1ccc([C@@H](C)Nc2c(C)n[nH]c2C)cc1 ZINC000036735950 172666010 /nfs/dbraw/zinc/66/60/10/172666010.db2.gz PAFQVOWRKRWHEX-LLVKDONJSA-N 0 0 257.381 4.152 10 0 CIAERN CC(C)(C)c1ccc2oc(-c3cccc(N)c3)nc2c1 ZINC000036749710 172677082 /nfs/dbraw/zinc/67/70/82/172677082.db2.gz KTLURCXZGGPRRY-UHFFFAOYSA-N 0 0 266.344 4.375 10 0 CIAERN Nc1ccc(Nc2cc(Br)ccc2F)c(F)c1 ZINC000036751724 172677741 /nfs/dbraw/zinc/67/77/41/172677741.db2.gz MUQRRKIFFFBSLX-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN CC(C)CCNc1cc(Br)ccc1F ZINC000036751433 172677812 /nfs/dbraw/zinc/67/78/12/172677812.db2.gz UTWNUOSZTWYGSU-UHFFFAOYSA-N 0 0 260.150 4.046 10 0 CIAERN Cc1ccc(NC2CC(c3ccccc3)C2)c(F)c1 ZINC000036840578 172745733 /nfs/dbraw/zinc/74/57/33/172745733.db2.gz DWCAGKFOYANBED-UHFFFAOYSA-N 0 0 255.336 4.492 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccc(C(N)=S)cc1F ZINC000036887563 172783150 /nfs/dbraw/zinc/78/31/50/172783150.db2.gz ZKQSDIICIFAYGF-UHFFFAOYSA-N 0 0 295.766 4.214 10 0 CIAERN CCOc1cc2nc(CC)cc(Cl)c2cc1OCC ZINC000036912766 172799603 /nfs/dbraw/zinc/79/96/03/172799603.db2.gz MAMXTFJYNALTDW-UHFFFAOYSA-N 0 0 279.767 4.248 10 0 CIAERN C[C@H]1CCC[C@@H](Nc2cc3c(cc2Cl)OCCO3)C1 ZINC000036922418 172806091 /nfs/dbraw/zinc/80/60/91/172806091.db2.gz FPJMCJWEJHLPJQ-WDEREUQCSA-N 0 0 281.783 4.102 10 0 CIAERN Nc1onc(C2CCC2)c1-c1c(Cl)cccc1Cl ZINC000036936322 172815936 /nfs/dbraw/zinc/81/59/36/172815936.db2.gz JMFDHCRKXPZWRN-UHFFFAOYSA-N 0 0 283.158 4.498 10 0 CIAERN COC(=O)c1cc(C)ccc1N[C@H](C)CCC(C)C ZINC000036942429 172818630 /nfs/dbraw/zinc/81/86/30/172818630.db2.gz LIEYZQSVODGOOT-CYBMUJFWSA-N 0 0 263.381 4.018 10 0 CIAERN Cc1ccc(C)c(OCc2cc(N)ccc2Cl)c1C ZINC000036964855 172833111 /nfs/dbraw/zinc/83/31/11/172833111.db2.gz PYZFGYYYWUENRR-UHFFFAOYSA-N 0 0 275.779 4.426 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1ccc(OCC(F)(F)F)cc1 ZINC000036972513 172839780 /nfs/dbraw/zinc/83/97/80/172839780.db2.gz QOQXJOAATMOCBB-QWRGUYRKSA-N 0 0 275.314 4.474 10 0 CIAERN Nc1ccccc1OCCSc1ccc(Cl)cc1 ZINC000036986005 172851775 /nfs/dbraw/zinc/85/17/75/172851775.db2.gz ARJSMSDIXMLBBD-UHFFFAOYSA-N 0 0 279.792 4.093 10 0 CIAERN CC(C)CNc1ccc(C(F)(F)F)cc1Cl ZINC000037047605 172913578 /nfs/dbraw/zinc/91/35/78/172913578.db2.gz BRHVJUSFAPKRGI-UHFFFAOYSA-N 0 0 251.679 4.427 10 0 CIAERN Cn1ncc2c1CCC[C@@H]2Nc1ccc(Cl)c(Cl)c1 ZINC000037051558 172918554 /nfs/dbraw/zinc/91/85/54/172918554.db2.gz BJIVIWOVVSKOGQ-ZDUSSCGKSA-N 0 0 296.201 4.216 10 0 CIAERN Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(N)c1 ZINC000037064639 172927858 /nfs/dbraw/zinc/92/78/58/172927858.db2.gz ZJCWUUUZWISPRR-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN c1cc(-c2cccc(NCC3CCCCC3)c2)n[nH]1 ZINC000037137265 172977390 /nfs/dbraw/zinc/97/73/90/172977390.db2.gz DGBVAMRMWSMAGV-UHFFFAOYSA-N 0 0 255.365 4.069 10 0 CIAERN COc1ccc(N[C@@H](C)c2ccc(F)cc2Cl)cn1 ZINC000037185618 173016494 /nfs/dbraw/zinc/01/64/94/173016494.db2.gz BZQGPANHADWVOT-VIFPVBQESA-N 0 0 280.730 4.056 10 0 CIAERN CO[C@@H]1CCCC[C@@H]1Nc1cccc2ccccc21 ZINC000037188656 173018580 /nfs/dbraw/zinc/01/85/80/173018580.db2.gz CVSQNROUGOLMFL-DLBZAZTESA-N 0 0 255.361 4.209 10 0 CIAERN CCOc1ccccc1CSc1ccc(N)cc1F ZINC000037194027 173022887 /nfs/dbraw/zinc/02/28/87/173022887.db2.gz CKJLQYDDWDEVQQ-UHFFFAOYSA-N 0 0 277.364 4.099 10 0 CIAERN CO[C@H]1CCCC[C@H]1Nc1ccccc1SC(F)F ZINC000037197827 173024903 /nfs/dbraw/zinc/02/49/03/173024903.db2.gz RYIIFIXLLGQYCL-PWSUYJOCSA-N 0 0 287.375 4.371 10 0 CIAERN COc1ccc(CNc2ccc(Cl)cc2)cc1C ZINC000037202898 173026248 /nfs/dbraw/zinc/02/62/48/173026248.db2.gz VAMPEKZHZFWIEZ-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN COc1ccc(CNc2cccc(Cl)c2)cc1C ZINC000037202535 173026311 /nfs/dbraw/zinc/02/63/11/173026311.db2.gz HKOVLYYITQTZDF-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN Fc1ccc2sc(Nc3ccc(F)cc3F)nc2c1 ZINC000037206685 173027497 /nfs/dbraw/zinc/02/74/97/173027497.db2.gz MCRHQQFUTCVUBE-UHFFFAOYSA-N 0 0 280.274 4.457 10 0 CIAERN COc1ccc(Nc2nc3cc(Cl)ccc3s2)cn1 ZINC000037206557 173027741 /nfs/dbraw/zinc/02/77/41/173027741.db2.gz USNWVXQRMJAAPR-UHFFFAOYSA-N 0 0 291.763 4.097 10 0 CIAERN O=Cc1cc(F)ccc1Oc1ccccc1Br ZINC000037234024 173053378 /nfs/dbraw/zinc/05/33/78/173053378.db2.gz VZMJTEVBPOMSFQ-UHFFFAOYSA-N 0 0 295.107 4.193 10 0 CIAERN CCCCc1ccc(Nc2ccc(Cl)nn2)cc1 ZINC000037250993 173063248 /nfs/dbraw/zinc/06/32/48/173063248.db2.gz WTIBPERPIYDZFI-UHFFFAOYSA-N 0 0 261.756 4.216 10 0 CIAERN CCCOC(=O)c1ccc(N[C@@H](CC)C(C)C)cc1 ZINC000037251976 173063665 /nfs/dbraw/zinc/06/36/65/173063665.db2.gz JUFVTSYTZKNQFT-HNNXBMFYSA-N 0 0 263.381 4.100 10 0 CIAERN CC(C)(C)n1cc(CNc2cc(Cl)ccc2F)cn1 ZINC000037256875 173067733 /nfs/dbraw/zinc/06/77/33/173067733.db2.gz XDIKTXVXFJGGGB-UHFFFAOYSA-N 0 0 281.762 4.043 10 0 CIAERN COc1cc(C)ccc1[C@H](C)N[C@H](C)c1ccco1 ZINC000037260458 173070728 /nfs/dbraw/zinc/07/07/28/173070728.db2.gz OOCYCENHPSRMSE-QWHCGFSZSA-N 0 0 259.349 4.008 10 0 CIAERN CSc1ccccc1N[C@H]1CCc2ccccc2C1 ZINC000037279139 173088586 /nfs/dbraw/zinc/08/85/86/173088586.db2.gz HCFFRSXJXFVAAE-HNNXBMFYSA-N 0 0 269.413 4.378 10 0 CIAERN Cc1ccc(-n2nc(-c3cccs3)cc2N)cc1Cl ZINC000037291329 173096915 /nfs/dbraw/zinc/09/69/15/173096915.db2.gz SPNJWRBCFAWCON-UHFFFAOYSA-N 0 0 289.791 4.145 10 0 CIAERN CC(C)c1ccccc1NCc1ccc2c(c1)OCO2 ZINC000037301781 173107642 /nfs/dbraw/zinc/10/76/42/173107642.db2.gz CETCVULKSUDDBS-UHFFFAOYSA-N 0 0 269.344 4.151 10 0 CIAERN CC(C)[C@H](Nc1ccc2c(c1)CCO2)c1cccs1 ZINC000037313403 173116061 /nfs/dbraw/zinc/11/60/61/173116061.db2.gz HHWVNUKGZKTQMI-INIZCTEOSA-N 0 0 273.401 4.492 10 0 CIAERN Oc1ccc(N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000037316863 173117371 /nfs/dbraw/zinc/11/73/71/173117371.db2.gz AIRZFHSPPKAGHX-AWEZNQCLSA-N 0 0 275.348 4.180 10 0 CIAERN Cc1ccc(CNc2ccc(C)c(O)c2C)cc1C ZINC000037316521 173117594 /nfs/dbraw/zinc/11/75/94/173117594.db2.gz OHLAIHYGZZAXID-UHFFFAOYSA-N 0 0 255.361 4.238 10 0 CIAERN CC(C)(C)n1c2ccccc2nc1-c1ccc(N)cc1 ZINC000037323663 173124455 /nfs/dbraw/zinc/12/44/55/173124455.db2.gz DFXOXNITIJEFBE-UHFFFAOYSA-N 0 0 265.360 4.041 10 0 CIAERN Cc1c(O)cccc1OCc1ccc(C(C)C)cc1 ZINC000037324072 173125126 /nfs/dbraw/zinc/12/51/26/173125126.db2.gz AQRJQLNFXWUAJX-UHFFFAOYSA-N 0 0 256.345 4.403 10 0 CIAERN Nc1onc(-c2cccc(Cl)c2)c1-c1ccccc1 ZINC000037350041 173144842 /nfs/dbraw/zinc/14/48/42/173144842.db2.gz CAVSKVLLYNSEKF-UHFFFAOYSA-N 0 0 270.719 4.244 10 0 CIAERN C[C@@H]1C[C@@H]1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037354513 173146740 /nfs/dbraw/zinc/14/67/40/173146740.db2.gz RJHHUEFPZZOENG-WBMJQRKESA-N 0 0 252.313 4.318 10 0 CIAERN CCCc1ccc(C(=O)CCc2ccccc2)cc1 ZINC000037356978 173147960 /nfs/dbraw/zinc/14/79/60/173147960.db2.gz OGKNBQWUPILSBY-UHFFFAOYSA-N 0 0 252.357 4.455 10 0 CIAERN C[C@H](CC(=O)c1c[nH]c2ncccc12)CC(C)(C)C ZINC000037361744 173150932 /nfs/dbraw/zinc/15/09/32/173150932.db2.gz QAGKOTQZQRMEQV-LLVKDONJSA-N 0 0 258.365 4.208 10 0 CIAERN Cc1ccccc1C(=O)c1ccc(OC(C)C)cc1 ZINC000037362271 173151618 /nfs/dbraw/zinc/15/16/18/173151618.db2.gz WWDFPRZMAMTNIO-UHFFFAOYSA-N 0 0 254.329 4.013 10 0 CIAERN CCC[C@H](C)C(=O)c1ccc(OC)c2ccccc12 ZINC000037363222 173152591 /nfs/dbraw/zinc/15/25/91/173152591.db2.gz YQYTZCZDXVBIFS-LBPRGKRZSA-N 0 0 256.345 4.467 10 0 CIAERN CCC(CC)C(=O)c1ccc(OC)c2ccccc12 ZINC000037363240 173153460 /nfs/dbraw/zinc/15/34/60/173153460.db2.gz VIWAMYICYSIBJU-UHFFFAOYSA-N 0 0 256.345 4.467 10 0 CIAERN CCC[C@@H](C)C(=O)c1cc2c(cc1Cl)OCCCO2 ZINC000037364552 173154112 /nfs/dbraw/zinc/15/41/12/173154112.db2.gz FVOITHUKNDJRAD-SNVBAGLBSA-N 0 0 282.767 4.120 10 0 CIAERN Fc1cc(Br)ccc1-c1nc2ccccc2[nH]1 ZINC000037387633 173170923 /nfs/dbraw/zinc/17/09/23/173170923.db2.gz QUCCGSGXTTYMIL-UHFFFAOYSA-N 0 0 291.123 4.132 10 0 CIAERN CCCc1cc(Cl)c2cc(F)c(F)c(F)c2n1 ZINC000037413114 173189504 /nfs/dbraw/zinc/18/95/04/173189504.db2.gz VSOATWJTCBELPL-UHFFFAOYSA-N 0 0 259.658 4.258 10 0 CIAERN Clc1cc(Cl)cc(CNc2ccc3n[nH]cc3c2)c1 ZINC000037424175 173199256 /nfs/dbraw/zinc/19/92/56/173199256.db2.gz MKJIYQFJBLEEGA-UHFFFAOYSA-N 0 0 292.169 4.482 10 0 CIAERN Oc1cccc(NCc2cc(Cl)cc(Cl)c2)c1 ZINC000037423734 173199590 /nfs/dbraw/zinc/19/95/90/173199590.db2.gz JGQKAZRCJSJTNP-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN CCCn1c2ccc(C)cc2nc1-c1cccc(N)c1 ZINC000037438216 173208831 /nfs/dbraw/zinc/20/88/31/173208831.db2.gz XUQUVNCHFVGJHD-UHFFFAOYSA-N 0 0 265.360 4.004 10 0 CIAERN Cn1c2ccc(Cl)cc2nc1-c1cc(Cl)ccc1O ZINC000037440906 173210396 /nfs/dbraw/zinc/21/03/96/173210396.db2.gz MBSRUPTUBUCHEX-UHFFFAOYSA-N 0 0 293.153 4.253 10 0 CIAERN CCn1c(-c2sccc2N)nc2cccc(Cl)c21 ZINC000037443859 173212021 /nfs/dbraw/zinc/21/20/21/173212021.db2.gz BPUZHJSXEFCBFG-UHFFFAOYSA-N 0 0 277.780 4.020 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)c1ccc(F)cc1 ZINC000037528884 173252309 /nfs/dbraw/zinc/25/23/09/173252309.db2.gz NJOCKPZXTWSLEW-DAXOMENPSA-N 0 0 250.357 4.106 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)c1ccc(F)cc1 ZINC000037529014 173252388 /nfs/dbraw/zinc/25/23/88/173252388.db2.gz ZQEKXHUUANBZJL-GDBMZVCRSA-N 0 0 250.357 4.250 10 0 CIAERN O=C(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 ZINC000037531897 173253300 /nfs/dbraw/zinc/25/33/00/173253300.db2.gz PIGAWZOZHAFCJZ-UHFFFAOYSA-N 0 0 279.166 4.348 10 0 CIAERN C[C@@](O)(CCc1ccccc1)c1ccccc1Cl ZINC000037531670 173253521 /nfs/dbraw/zinc/25/35/21/173253521.db2.gz DKXHAPYEKCZKJJ-MRXNPFEDSA-N 0 0 260.764 4.180 10 0 CIAERN Cc1cccc(C[C@@H](O)c2ccc(C(C)C)cc2)c1 ZINC000037532415 173253689 /nfs/dbraw/zinc/25/36/89/173253689.db2.gz PUOCONZAHZJILU-GOSISDBHSA-N 0 0 254.373 4.395 10 0 CIAERN Cc1ccc(C[C@H](O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000037532784 173253866 /nfs/dbraw/zinc/25/38/66/173253866.db2.gz YRESFFBCWWTIFT-HNNXBMFYSA-N 0 0 295.209 4.448 10 0 CIAERN Cc1ccc(C[C@H](O)c2cccc(Br)c2)cc1 ZINC000037532691 173253952 /nfs/dbraw/zinc/25/39/52/173253952.db2.gz MQQPZRNFBPXFFC-HNNXBMFYSA-N 0 0 291.188 4.034 10 0 CIAERN CC(C)c1ccc([C@H](O)Cc2ccc(F)cc2)cc1 ZINC000037532398 173253958 /nfs/dbraw/zinc/25/39/58/173253958.db2.gz PKJNRSMPCNTGJT-QGZVFWFLSA-N 0 0 258.336 4.225 10 0 CIAERN O[C@H](CCc1ccccc1)c1cccc(Br)c1 ZINC000037532706 173254069 /nfs/dbraw/zinc/25/40/69/173254069.db2.gz MOVKRUUKWKZHRW-OAHLLOKOSA-N 0 0 291.188 4.115 10 0 CIAERN CCc1cc(Cl)nc(-c2ccc(OC(C)C)cc2)n1 ZINC000037742927 173664046 /nfs/dbraw/zinc/66/40/46/173664046.db2.gz AJDBYFGFMAAGJJ-UHFFFAOYSA-N 0 0 276.767 4.147 10 0 CIAERN CCc1cccc(C)c1N[C@@H](C)c1cccc(O)c1 ZINC000037763732 173690510 /nfs/dbraw/zinc/69/05/10/173690510.db2.gz MWFSDDVUWRRQER-ZDUSSCGKSA-N 0 0 255.361 4.436 10 0 CIAERN COC(=O)Nc1cccc(N[C@H](C)c2cccs2)c1 ZINC000037776253 173707797 /nfs/dbraw/zinc/70/77/97/173707797.db2.gz STVXRFRTZUGFHB-SNVBAGLBSA-N 0 0 276.361 4.100 10 0 CIAERN CCc1ncc(CNc2ccc(C(F)(F)F)cc2)s1 ZINC000037923719 173861892 /nfs/dbraw/zinc/86/18/92/173861892.db2.gz XUFZLYLMPBTJHD-UHFFFAOYSA-N 0 0 286.322 4.336 10 0 CIAERN FC(F)(F)Sc1ccc(-c2noc(Cl)n2)cc1 ZINC000037926907 173865215 /nfs/dbraw/zinc/86/52/15/173865215.db2.gz PQKPRZDOXIHUAR-UHFFFAOYSA-N 0 0 280.658 4.002 10 0 CIAERN CCCOc1cccc(CNc2cc(F)ccc2F)c1 ZINC000038038251 174038678 /nfs/dbraw/zinc/03/86/78/174038678.db2.gz OSMWCWKDBRPFDT-UHFFFAOYSA-N 0 0 277.314 4.366 10 0 CIAERN Cc1ccc(Nc2c(F)cc(N)cc2F)c(Cl)c1 ZINC000038040032 174040349 /nfs/dbraw/zinc/04/03/49/174040349.db2.gz QGPOUYOOMBILFE-UHFFFAOYSA-N 0 0 268.694 4.252 10 0 CIAERN Cc1ccc(Sc2c(F)cc(N)cc2F)cc1C ZINC000038040418 174040407 /nfs/dbraw/zinc/04/04/07/174040407.db2.gz PTUMABUQPUCLLK-UHFFFAOYSA-N 0 0 265.328 4.315 10 0 CIAERN CCCOc1ccccc1Oc1c(F)cc(N)cc1F ZINC000038040294 174040536 /nfs/dbraw/zinc/04/05/36/174040536.db2.gz PIOFFMDQVRLUSJ-UHFFFAOYSA-N 0 0 279.286 4.128 10 0 CIAERN COc1cc(N)c(Cl)cc1-c1nc2c(cccc2C)o1 ZINC000038052682 174064028 /nfs/dbraw/zinc/06/40/28/174064028.db2.gz YCGOQHWQZADWIK-UHFFFAOYSA-N 0 0 288.734 4.047 10 0 CIAERN O=C(CCC1CCCC1)c1ccc2c(c1)CCCO2 ZINC000038057593 174068003 /nfs/dbraw/zinc/06/80/03/174068003.db2.gz NMMSXPWQIKKAEV-UHFFFAOYSA-N 0 0 258.361 4.165 10 0 CIAERN Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1N ZINC000038069247 174081037 /nfs/dbraw/zinc/08/10/37/174081037.db2.gz APJQXBOAJWGANN-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN CCC(=O)c1cccc(-c2ccc(OC)c(C)c2)c1 ZINC000038071947 174082790 /nfs/dbraw/zinc/08/27/90/174082790.db2.gz PNCCTDMNLYSVEW-UHFFFAOYSA-N 0 0 254.329 4.263 10 0 CIAERN COc1ccc(-c2ccccc2C(C)=O)cc1Cl ZINC000038071880 174082911 /nfs/dbraw/zinc/08/29/11/174082911.db2.gz HZFUQKVNAVRGNV-UHFFFAOYSA-N 0 0 260.720 4.218 10 0 CIAERN CC[C@@H](C)c1ccccc1Oc1ccc(Cl)nn1 ZINC000038082337 174091175 /nfs/dbraw/zinc/09/11/75/174091175.db2.gz WPZLCGKOYDZHFV-SNVBAGLBSA-N 0 0 262.740 4.436 10 0 CIAERN COc1ccc(Cl)cc1C(=O)Cc1ccccc1C ZINC000038126873 174131679 /nfs/dbraw/zinc/13/16/79/174131679.db2.gz ZPLDXIOMVCCGAI-UHFFFAOYSA-N 0 0 274.747 4.082 10 0 CIAERN Fc1ccc(CNc2cncc(-c3ccncc3)c2)cc1F ZINC000038236715 174137231 /nfs/dbraw/zinc/13/72/31/174137231.db2.gz GMWSIRMYCNSEKR-UHFFFAOYSA-N 0 0 297.308 4.034 10 0 CIAERN CC1(C)OP(=O)(CCc2ccccc2)OC1(C)C ZINC000038340476 174140086 /nfs/dbraw/zinc/14/00/86/174140086.db2.gz IVDKHLYPEGRENZ-UHFFFAOYSA-N 0 0 268.293 4.026 10 0 CIAERN CC1=C[C@H](c2ccccc2)c2c(=O)oc3ccccc3c2O1 ZINC000038600327 174149038 /nfs/dbraw/zinc/14/90/38/174149038.db2.gz KMPSOFDQEUDDIF-OAHLLOKOSA-N 0 0 290.318 4.221 10 0 in-vitro CIAERN CC1=CC[C@@H](C(C)(C)OC(=O)c2ccccc2)CC1 ZINC000038632988 174149708 /nfs/dbraw/zinc/14/97/08/174149708.db2.gz SNCWRHHQNIWULG-OAHLLOKOSA-N 0 0 258.361 4.368 10 0 CIAERN CC(C)c1ccc2c(c1)OC(C)(C)C[C@@]2(O)C(C)C ZINC000038611742 174150051 /nfs/dbraw/zinc/15/00/51/174150051.db2.gz CBBXPPAYCJSBPI-QGZVFWFLSA-N 0 0 262.393 4.215 10 0 CIAERN CC(C)OC(=O)[C@H](c1ccsc1)C1CCCCC1 ZINC000038643160 174150862 /nfs/dbraw/zinc/15/08/62/174150862.db2.gz NXLPGUAUJVEXTR-AWEZNQCLSA-N 0 0 266.406 4.364 10 0 CIAERN FC(F)(F)c1cccc(-c2cccnc2Cl)c1 ZINC000038876792 174158402 /nfs/dbraw/zinc/15/84/02/174158402.db2.gz QURHFNCKCIAQHJ-UHFFFAOYSA-N 0 0 257.642 4.421 10 0 CIAERN O=C(c1ccc(Cl)cc1)c1ccc2ccccc2n1 ZINC000039237236 174166884 /nfs/dbraw/zinc/16/68/84/174166884.db2.gz XVHQTNKRSJARIQ-UHFFFAOYSA-N 0 0 267.715 4.119 10 0 CIAERN Cc1ccc(N)c(C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000039643325 174171703 /nfs/dbraw/zinc/17/17/03/174171703.db2.gz VOPSFKLAYZMTOZ-UHFFFAOYSA-N 0 0 280.154 4.115 10 0 CIAERN CCCCCc1ccc(C(=O)OCC)cc1Br ZINC000039951945 174177217 /nfs/dbraw/zinc/17/72/17/174177217.db2.gz MGUHBPMSMUXZOC-UHFFFAOYSA-N 0 0 299.208 4.359 10 0 CIAERN Cc1ccc([S@@](=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000039953610 174178013 /nfs/dbraw/zinc/17/80/13/174178013.db2.gz NQICGNSARVCSGJ-CNVJLJKISA-N 0 0 294.460 4.495 10 0 CIAERN Clc1cccc(-c2cc(Cl)n3nccc3n2)c1Cl ZINC000039955964 174179223 /nfs/dbraw/zinc/17/92/23/174179223.db2.gz BJGASJUQCCWBQZ-UHFFFAOYSA-N 0 0 298.560 4.357 10 0 CIAERN COc1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963692 174179518 /nfs/dbraw/zinc/17/95/18/174179518.db2.gz MKOQTIDMGXJPOK-UHFFFAOYSA-N 0 0 268.291 4.126 10 0 CIAERN CCOC(=O)c1cccc(-c2ccc(C)cc2C)c1 ZINC000040174819 174201092 /nfs/dbraw/zinc/20/10/92/174201092.db2.gz FBHSQYNWRRJGDX-UHFFFAOYSA-N 0 0 254.329 4.147 10 0 CIAERN Cc1ccc(C)c(OCCn2cnc3cc(C)c(C)cc32)c1 ZINC000040224036 174207339 /nfs/dbraw/zinc/20/73/39/174207339.db2.gz BVZQHPRICRXRAG-UHFFFAOYSA-N 0 0 294.398 4.349 10 0 CIAERN Cc1cccc(OCCCn2cnc3ccccc32)c1C ZINC000040223933 174207436 /nfs/dbraw/zinc/20/74/36/174207436.db2.gz IGFXBHREKTUDFU-UHFFFAOYSA-N 0 0 280.371 4.122 10 0 CIAERN CC(C)c1ccc(OCc2nc3ccccc3n2C)cc1 ZINC000040235575 174212195 /nfs/dbraw/zinc/21/21/95/174212195.db2.gz LGAVHQWAPKLAAI-UHFFFAOYSA-N 0 0 280.371 4.276 10 0 CIAERN CCCn1c2ccccc2nc1-c1ccccc1C ZINC000040239443 174212225 /nfs/dbraw/zinc/21/22/25/174212225.db2.gz YGDUBRZFXXRNBZ-UHFFFAOYSA-N 0 0 250.345 4.422 10 0 CIAERN O[C@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000040247582 174214957 /nfs/dbraw/zinc/21/49/57/174214957.db2.gz QRTPUNHXTUWUGD-NSHDSACASA-N 0 0 259.157 4.137 10 0 CIAERN Cc1cc(C)c([C@H](O)c2ccccc2Cl)c(C)c1 ZINC000040249243 174215455 /nfs/dbraw/zinc/21/54/55/174215455.db2.gz HRNSDZHJTHKJNF-MRXNPFEDSA-N 0 0 260.764 4.347 10 0 CIAERN CCOCCCn1c(Cc2ccccc2)nc2ccccc21 ZINC000040389484 174252117 /nfs/dbraw/zinc/25/21/17/174252117.db2.gz TZEISMSRWCBSNZ-UHFFFAOYSA-N 0 0 294.398 4.054 10 0 CIAERN Oc1cccc(-c2csc(-c3cccc(O)c3)c2)c1 ZINC000040391436 174252302 /nfs/dbraw/zinc/25/23/02/174252302.db2.gz FIVXNZZSAFLVFQ-UHFFFAOYSA-N 0 0 268.337 4.493 10 0 in-vivo CIAERN CCOCCCn1c2ccccc2nc1-c1cccs1 ZINC000040389508 174252348 /nfs/dbraw/zinc/25/23/48/174252348.db2.gz YOUCUTAWQABWDM-UHFFFAOYSA-N 0 0 286.400 4.191 10 0 CIAERN Cc1cc(Nc2cccc(F)c2)nc2ccccc12 ZINC000040400816 174253222 /nfs/dbraw/zinc/25/32/22/174253222.db2.gz MAYYAJPKTREWFC-UHFFFAOYSA-N 0 0 252.292 4.426 10 0 CIAERN COCCn1c2ccc(Cl)cc2nc1-c1ccccc1 ZINC000040404682 174254240 /nfs/dbraw/zinc/25/42/40/174254240.db2.gz JAHDULQWAHSMHS-UHFFFAOYSA-N 0 0 286.762 4.003 10 0 CIAERN CCCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040417518 174256030 /nfs/dbraw/zinc/25/60/30/174256030.db2.gz UYMKHRPGAMLQSV-UHFFFAOYSA-N 0 0 250.773 4.397 10 0 CIAERN Cc1cccc(-c2nc3ccc(Cl)cc3n2C)c1 ZINC000040417057 174256053 /nfs/dbraw/zinc/25/60/53/174256053.db2.gz HLONUPSPBJYSQP-UHFFFAOYSA-N 0 0 256.736 4.202 10 0 CIAERN CCCc1c(N)c(C(C)=O)ccc1OCc1ccccc1 ZINC000040441625 174262906 /nfs/dbraw/zinc/26/29/06/174262906.db2.gz SLFKKGIODTYJAV-UHFFFAOYSA-N 0 0 283.371 4.003 10 0 CIAERN Cc1c(-c2ccc(C)c(C)c2)nc2sc(C3CC3)nn12 ZINC000040964890 174441117 /nfs/dbraw/zinc/44/11/17/174441117.db2.gz LOYYGTNSYIKINL-UHFFFAOYSA-N 0 0 283.400 4.260 10 0 CIAERN Cc1ccn2cc(-c3ccc(OC(C)C)cc3)nc2c1 ZINC000040965362 174441120 /nfs/dbraw/zinc/44/11/20/174441120.db2.gz XTAAUCXJCPFYFG-UHFFFAOYSA-N 0 0 266.344 4.097 10 0 CIAERN CC(=O)c1sc2nc(-c3ccccc3Cl)cn2c1C ZINC000041005657 174448272 /nfs/dbraw/zinc/44/82/72/174448272.db2.gz YBBADKMDHOMABO-UHFFFAOYSA-N 0 0 290.775 4.227 10 0 CIAERN Cc1cccc(C(=O)Nc2ccnc3cc(Cl)ccc32)c1 ZINC000041057790 174465248 /nfs/dbraw/zinc/46/52/48/174465248.db2.gz XYHYXQZSJRQIFE-UHFFFAOYSA-N 0 0 296.757 4.449 10 0 CIAERN Brc1ccc(NCC2CCCC2)cc1 ZINC000041324130 174520660 /nfs/dbraw/zinc/52/06/60/174520660.db2.gz KEAXEOZOYPREKY-UHFFFAOYSA-N 0 0 254.171 4.051 10 0 CIAERN CCCc1noc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000041392915 174545791 /nfs/dbraw/zinc/54/57/91/174545791.db2.gz NMCLUIGXTOJIGT-UHFFFAOYSA-N 0 0 271.147 4.183 10 0 CIAERN Cc1cccc(OCCNc2ccc(F)c(Cl)c2)c1 ZINC000041435129 174552299 /nfs/dbraw/zinc/55/22/99/174552299.db2.gz NEXOGFHPKJKFAE-UHFFFAOYSA-N 0 0 279.742 4.278 10 0 CIAERN COc1ccc(C)cc1COc1ccc(C)cc1C(C)=O ZINC000041458907 174554746 /nfs/dbraw/zinc/55/47/46/174554746.db2.gz OMZPSPCCQSXHAQ-UHFFFAOYSA-N 0 0 284.355 4.094 10 0 CIAERN FC(F)(F)Oc1ccc2ncc(Cl)c(Cl)c2c1 ZINC000041702368 174608552 /nfs/dbraw/zinc/60/85/52/174608552.db2.gz QROFKUKPBWXZDV-UHFFFAOYSA-N 0 0 282.048 4.440 10 0 CIAERN CCC[C@@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000042239950 174663209 /nfs/dbraw/zinc/66/32/09/174663209.db2.gz QGDGIDYCUKFKNU-GHMZBOCLSA-N 0 0 298.224 4.063 10 0 CIAERN Fc1ccc(F)c(COc2ccccc2Br)c1 ZINC000042254779 174667056 /nfs/dbraw/zinc/66/70/56/174667056.db2.gz QIXCKKDHFABOIK-UHFFFAOYSA-N 0 0 299.114 4.306 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000042557257 174793256 /nfs/dbraw/zinc/79/32/56/174793256.db2.gz CXESIHRKGKSQDR-NTSWFWBYSA-N 0 0 267.241 4.229 10 0 CIAERN CCC1CCC(Nc2ccc(Cl)cc2N)CC1 ZINC000042578004 174803270 /nfs/dbraw/zinc/80/32/70/174803270.db2.gz FMYBZHHMHDVJOZ-UHFFFAOYSA-N 0 0 252.789 4.303 10 0 CIAERN CC(=O)c1ccc(N(C)[C@@H]2CCCC[C@H]2C)c(F)c1 ZINC000042608038 174820692 /nfs/dbraw/zinc/82/06/92/174820692.db2.gz WHMXOWMUKMFQCM-IAQYHMDHSA-N 0 0 263.356 4.043 10 0 CIAERN Cc1ccsc1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000042728626 174858239 /nfs/dbraw/zinc/85/82/39/174858239.db2.gz MFQROQUKCQJLLA-UHFFFAOYSA-N 0 0 270.275 4.306 10 0 CIAERN C[C@H](N(C)c1ccc(N)c(C(F)(F)F)c1)C(C)(C)C ZINC000042739733 174861316 /nfs/dbraw/zinc/86/13/16/174861316.db2.gz NRMPQRQEAQTTDD-VIFPVBQESA-N 0 0 274.330 4.158 10 0 CIAERN CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000043319187 175005739 /nfs/dbraw/zinc/00/57/39/175005739.db2.gz SBSWHOKLILONGA-NSHDSACASA-N 0 0 290.388 4.193 10 0 CIAERN Oc1ccc(CNc2ccccc2Cl)cc1Cl ZINC000043476868 175054569 /nfs/dbraw/zinc/05/45/69/175054569.db2.gz KMHYQRMGKXGJLY-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN O=C1CCCCC[C@H]1Cc1ccc(F)cc1Cl ZINC000043650012 175085598 /nfs/dbraw/zinc/08/55/98/175085598.db2.gz OZWIEDYQYCTOPI-NSHDSACASA-N 0 0 254.732 4.171 10 0 CIAERN O[C@@H](CCc1ccc(Cl)s1)c1ccccc1 ZINC000043656479 175085694 /nfs/dbraw/zinc/08/56/94/175085694.db2.gz VAXJUDMBFIQJME-LBPRGKRZSA-N 0 0 252.766 4.068 10 0 CIAERN Cc1nn(C2CCC(C(C)(C)C)CC2)c(N)c1Cl ZINC000043667342 175086491 /nfs/dbraw/zinc/08/64/91/175086491.db2.gz WGXDPASIQJIDPQ-UHFFFAOYSA-N 0 0 269.820 4.205 10 0 CIAERN Cc1ncc(-c2cc(Cl)nc(-c3ccccc3)n2)s1 ZINC000044119286 175142117 /nfs/dbraw/zinc/14/21/17/175142117.db2.gz JRVILIMCQDBGSI-UHFFFAOYSA-N 0 0 287.775 4.229 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000045794818 175383660 /nfs/dbraw/zinc/38/36/60/175383660.db2.gz SKBQVIRTDCSEDL-ZDUSSCGKSA-N 0 0 296.370 4.177 10 0 CIAERN Fc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)c(F)c1 ZINC000057343431 175592995 /nfs/dbraw/zinc/59/29/95/175592995.db2.gz FAQCMDYLESZPAN-UHFFFAOYSA-N 0 0 295.720 4.031 10 0 CIAERN CC(=O)Nc1nc(-c2ccco2)c(-c2ccccc2)s1 ZINC000059757774 175633703 /nfs/dbraw/zinc/63/37/03/175633703.db2.gz VZIKHMGXXIYQJO-UHFFFAOYSA-N 0 0 284.340 4.029 10 0 CIAERN COC(=O)c1ccc2c(c1)CC[C@@H](CCC(C)(C)C)C2 ZINC000575141533 335071994 /nfs/dbraw/zinc/07/19/94/335071994.db2.gz RVLSPJKMVJPJGQ-ZDUSSCGKSA-N 0 0 274.404 4.404 10 0 CIAERN COc1cc(-c2cc(C(F)(F)F)ccc2OC)ccc1O ZINC000065342926 175712356 /nfs/dbraw/zinc/71/23/56/175712356.db2.gz NSIZEABHPKHPBG-UHFFFAOYSA-N 0 0 298.260 4.095 10 0 CIAERN COc1ccc(-c2cccc3ccccc32)cc1O ZINC000065342729 175712777 /nfs/dbraw/zinc/71/27/77/175712777.db2.gz BAIPAZKZDRFUIB-UHFFFAOYSA-N 0 0 250.297 4.221 10 0 CIAERN CCCOc1ccc(-c2csc(Br)n2)cc1 ZINC000066346176 175757863 /nfs/dbraw/zinc/75/78/63/175757863.db2.gz XSOOZMDLBFACNE-UHFFFAOYSA-N 0 0 298.205 4.361 10 0 CIAERN CCO[C@@H](C)c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1 ZINC000067805996 175794333 /nfs/dbraw/zinc/79/43/33/175794333.db2.gz LKVNGARUWLHESH-ZDUSSCGKSA-N 0 0 293.366 4.293 10 0 CIAERN CC1SC(=S)N=C1c1ccc(Br)cc1 ZINC000070598272 175995386 /nfs/dbraw/zinc/99/53/86/175995386.db2.gz RPNBQJFXIYSOCZ-UHFFFAOYSA-N 0 0 286.219 4.170 10 0 CIAERN CCCCCN(c1ccc(Br)cn1)C(C)C ZINC000071107736 176033756 /nfs/dbraw/zinc/03/37/56/176033756.db2.gz ZSLQAKNEAJVTAS-UHFFFAOYSA-N 0 0 285.229 4.249 10 0 CIAERN Cc1ccccc1N(C)Cc1sccc1Br ZINC000071108711 176033875 /nfs/dbraw/zinc/03/38/75/176033875.db2.gz AOVMPNFJULAVCF-UHFFFAOYSA-N 0 0 296.233 4.455 10 0 CIAERN Fc1ccc(C(F)(F)F)cc1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000071139136 176037734 /nfs/dbraw/zinc/03/77/34/176037734.db2.gz DCUZCOGDGUOSFC-PTOFAABTSA-N 0 0 271.257 4.221 10 0 CIAERN Cc1c(C)c(N(C)Cc2cccc(Cl)c2)nnc1Cl ZINC000071171457 176051795 /nfs/dbraw/zinc/05/17/95/176051795.db2.gz GAQKCMCNWWJDAG-UHFFFAOYSA-N 0 0 296.201 4.037 10 0 CIAERN CC(C)c1nc2cc(N)ccc2n1[C@@H]1CCC[C@H]1C ZINC000071209439 176082260 /nfs/dbraw/zinc/08/22/60/176082260.db2.gz GFVHEWFDAPTMMF-BXUZGUMPSA-N 0 0 257.381 4.103 10 0 CIAERN c1ccc(C(O[C@H]2CCCCO2)c2ccccc2)cc1 ZINC000071261293 176096211 /nfs/dbraw/zinc/09/62/11/176096211.db2.gz YXGWESUPDNZCQM-KRWDZBQOSA-N 0 0 268.356 4.319 10 0 CIAERN CCc1cccc(CC)c1NC1=NC[C@@H](C2CC2)S1 ZINC000071306737 176115904 /nfs/dbraw/zinc/11/59/04/176115904.db2.gz HZFRNLVSBPFBED-AWEZNQCLSA-N 0 0 274.433 4.105 10 0 CIAERN Cc1ccncc1NC1CC(c2ccccc2Cl)C1 ZINC000071413675 176159152 /nfs/dbraw/zinc/15/91/52/176159152.db2.gz MGKDRFHJMOGQBP-UHFFFAOYSA-N 0 0 272.779 4.402 10 0 CIAERN C[C@H](O)c1c2ccccc2n(Cc2ccccc2)c1Cl ZINC000071464936 176181234 /nfs/dbraw/zinc/18/12/34/176181234.db2.gz IKQFYXUYJRYFNH-LBPRGKRZSA-N 0 0 285.774 4.396 10 0 CIAERN Cc1cc(N)cc(-c2cccc(C(F)(F)F)c2)c1 ZINC000071572879 176199284 /nfs/dbraw/zinc/19/92/84/176199284.db2.gz VDZHFJISOFCMEV-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN Cc1cc(N)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000071572880 176199410 /nfs/dbraw/zinc/19/94/10/176199410.db2.gz LKFJWISHYUSECT-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN Cc1ccc(C)c(-c2cc(Cl)nc(Cl)n2)c1 ZINC000071574523 176201658 /nfs/dbraw/zinc/20/16/58/176201658.db2.gz VMGSIGAQDBWAIW-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN Clc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071585833 176211844 /nfs/dbraw/zinc/21/18/44/176211844.db2.gz PVNMNEIRQWTEAS-UHFFFAOYSA-N 0 0 259.523 4.104 10 0 CIAERN Cc1ccc([C@H](C)Nc2nccc(C3CCCC3)n2)nc1 ZINC000071614066 176233694 /nfs/dbraw/zinc/23/36/94/176233694.db2.gz LHODPIGSFBDRPS-ZDUSSCGKSA-N 0 0 282.391 4.011 10 0 CIAERN CCN(Cc1ccc2c(c1)CCCN2)c1cccc(C)c1 ZINC000071631257 176236846 /nfs/dbraw/zinc/23/68/46/176236846.db2.gz IJLTUUFSVCDBTI-UHFFFAOYSA-N 0 0 280.415 4.380 10 0 CIAERN Nc1nc(CSc2ccc(Cl)c(Cl)c2)cs1 ZINC000071647551 176240547 /nfs/dbraw/zinc/24/05/47/176240547.db2.gz ZGEHIZBUQIJOSR-UHFFFAOYSA-N 0 0 291.228 4.324 10 0 CIAERN C[N@H+](CCC(=O)[O-])C1CCCCCCCCCCC1 ZINC000071738315 176257165 /nfs/dbraw/zinc/25/71/65/176257165.db2.gz QTCZEBDRVJOAGL-UHFFFAOYSA-N 0 0 269.429 4.066 10 0 CIAERN COc1ccc2cc(-c3cccc(CO)c3)ccc2c1 ZINC000071792056 176263222 /nfs/dbraw/zinc/26/32/22/176263222.db2.gz PBKDCHPDHFNOPW-UHFFFAOYSA-N 0 0 264.324 4.008 10 0 CIAERN OCc1ccccc1-c1cccc(OCc2ccccc2)c1 ZINC000071792871 176263243 /nfs/dbraw/zinc/26/32/43/176263243.db2.gz GCJUZTZWPOPOKI-UHFFFAOYSA-N 0 0 290.362 4.425 10 0 CIAERN Cc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1 ZINC000072124638 176320595 /nfs/dbraw/zinc/32/05/95/176320595.db2.gz CEAPJZVOEQSFCZ-UHFFFAOYSA-N 0 0 250.297 4.077 10 0 CIAERN Brc1ccccc1-n1nccc1-c1ccccc1 ZINC000072190464 176336000 /nfs/dbraw/zinc/33/60/00/176336000.db2.gz GKMLGQFIARWSRV-UHFFFAOYSA-N 0 0 299.171 4.302 10 0 CIAERN COc1ccc(-c2ccsc2Br)cc1 ZINC000072191899 176336262 /nfs/dbraw/zinc/33/62/62/176336262.db2.gz XUVANDHJIZBQKJ-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN Cc1ccc(-c2ccsc2Br)cc1 ZINC000072191902 176336476 /nfs/dbraw/zinc/33/64/76/176336476.db2.gz RVAYVIFWFPUSGY-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN Cc1ccc2c(c1)NC(=O)CC(/C=C/c1ccccc1)=N2 ZINC000072236420 176345865 /nfs/dbraw/zinc/34/58/65/176345865.db2.gz FOKKBDNZTDRMGB-CMDGGOBGSA-N 0 0 276.339 4.123 10 0 CIAERN CCOc1cccc2c(Oc3cccc(N)c3)ccnc12 ZINC000072237131 176346163 /nfs/dbraw/zinc/34/61/63/176346163.db2.gz VSJVGUPVMZZFDS-UHFFFAOYSA-N 0 0 280.327 4.008 10 0 CIAERN CCOc1ccc2nccc(Oc3cccc(N)c3)c2c1 ZINC000072237240 176346307 /nfs/dbraw/zinc/34/63/07/176346307.db2.gz YSOAPIMHEYPUNS-UHFFFAOYSA-N 0 0 280.327 4.008 10 0 CIAERN Brc1ccc2nc(-c3ccncc3)sc2c1 ZINC000073638668 176480317 /nfs/dbraw/zinc/48/03/17/176480317.db2.gz IHIXRUICFVELTD-UHFFFAOYSA-N 0 0 291.173 4.121 10 0 CIAERN Cc1ccn2c(N)c(-c3ccc4ccccc4c3)nc2c1 ZINC000074541946 176583072 /nfs/dbraw/zinc/58/30/72/176583072.db2.gz BJZRNROQDADMHR-UHFFFAOYSA-N 0 0 273.339 4.045 10 0 CIAERN CC(C)c1ccc(Cn2cc(CO)c3ccccc32)cc1 ZINC000077009288 177145292 /nfs/dbraw/zinc/14/52/92/177145292.db2.gz QDGPOGKQNBDGPD-UHFFFAOYSA-N 0 0 279.383 4.305 10 0 CIAERN Cc1ccc(C[C@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000179956850 260082633 /nfs/dbraw/zinc/08/26/33/260082633.db2.gz QPAFPGXBINQVJB-KBPBESRZSA-N 0 0 287.428 4.113 10 0 CIAERN Cc1ccc(SCc2nccn2C(C)C)cc1C ZINC000171677723 335074156 /nfs/dbraw/zinc/07/41/56/335074156.db2.gz RWZQYMPAHWMSNL-UHFFFAOYSA-N 0 0 260.406 4.373 10 0 CIAERN FC(F)(F)c1cccc(N[C@@H]2CCc3ccccc32)n1 ZINC000301064818 227436842 /nfs/dbraw/zinc/43/68/42/227436842.db2.gz AVLFSXHOPQODDC-GFCCVEGCSA-N 0 0 278.277 4.200 10 0 CIAERN C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1cccs1 ZINC000179546621 260054461 /nfs/dbraw/zinc/05/44/61/260054461.db2.gz XNUZRVMTJSHKDD-MRVPVSSYSA-N 0 0 283.755 4.032 10 0 CIAERN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](C(F)(F)F)C2)o1 ZINC000179622000 260058422 /nfs/dbraw/zinc/05/84/22/260058422.db2.gz POCSYXBGNKIHBZ-MDZLAQPJSA-N 0 0 287.325 4.177 10 0 CIAERN C[C@@H]1C[C@@H](C(=O)N(C)c2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180339724 260098453 /nfs/dbraw/zinc/09/84/53/260098453.db2.gz AYONEBMKJDYCPG-VXGBXAGGSA-N 0 0 294.826 4.160 10 0 CIAERN CC(C)c1nn(C)cc1N[C@H](c1ccccc1)C1CC1 ZINC000312501034 260132644 /nfs/dbraw/zinc/13/26/44/260132644.db2.gz ZVDUVXAEFZWQRN-QGZVFWFLSA-N 0 0 269.392 4.107 10 0 CIAERN CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086962570 260211100 /nfs/dbraw/zinc/21/11/00/260211100.db2.gz XNFBUFDUZUAYOU-LVDPKSTMSA-N 0 0 295.467 4.214 10 0 CIAERN CCC1CCC(c2noc(Cc3cccc(O)c3)n2)CC1 ZINC000087939433 260241659 /nfs/dbraw/zinc/24/16/59/260241659.db2.gz PUTHFHPBFNVUNA-UHFFFAOYSA-N 0 0 286.375 4.050 10 0 CIAERN CCC1CCC(c2noc(-c3ccccc3O)n2)CC1 ZINC000087939418 260241820 /nfs/dbraw/zinc/24/18/20/260241820.db2.gz BQXIFDUEIUYOBF-UHFFFAOYSA-N 0 0 272.348 4.126 10 0 CIAERN CCCn1ccc(CNc2ccc3nc(C)sc3c2)c1 ZINC000091010553 260264529 /nfs/dbraw/zinc/26/45/29/260264529.db2.gz UZLAXEFMIFCHTM-UHFFFAOYSA-N 0 0 285.416 4.428 10 0 CIAERN CCn1cccc1CNc1ccc2nc(C)sc2c1 ZINC000091023742 260265065 /nfs/dbraw/zinc/26/50/65/260265065.db2.gz YAXMKEZSZGYNHS-UHFFFAOYSA-N 0 0 271.389 4.038 10 0 CIAERN CC1(C)C[C@@H](Nc2ccnc(Cl)c2)c2ccccc2O1 ZINC000129922304 260391093 /nfs/dbraw/zinc/39/10/93/260391093.db2.gz CEFUFGUPRXWRFZ-CYBMUJFWSA-N 0 0 288.778 4.449 10 0 CIAERN CSc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2 ZINC000092232069 260491583 /nfs/dbraw/zinc/49/15/83/260491583.db2.gz OBARJJYKIDBHQK-UHFFFAOYSA-N 0 0 298.411 4.019 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C=C2CCC2)o1 ZINC000153079441 261073094 /nfs/dbraw/zinc/07/30/94/261073094.db2.gz PWAJMYMNMVRFKH-HNNXBMFYSA-N 0 0 273.376 4.006 10 0 CIAERN C[C@H](NCc1noc(C2CC2)n1)c1ccc(C(C)(C)C)cc1 ZINC000154399147 261091132 /nfs/dbraw/zinc/09/11/32/261091132.db2.gz JNKWJRHJJDXGSX-LBPRGKRZSA-N 0 0 299.418 4.095 10 0 CIAERN CCn1ccnc1CSCc1cc(C)sc1C ZINC000175293907 261216619 /nfs/dbraw/zinc/21/66/19/261216619.db2.gz MYJNDQODFSPUNH-UHFFFAOYSA-N 0 0 266.435 4.015 10 0 CIAERN C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1cccc(Cl)c1 ZINC000176348598 261278828 /nfs/dbraw/zinc/27/88/28/261278828.db2.gz NIXWBTFQORIPHF-RYUDHWBXSA-N 0 0 294.826 4.231 10 0 CIAERN CC(C)N(Cc1nccn1C(C)C)c1ccc(F)cc1 ZINC000103473163 261284273 /nfs/dbraw/zinc/28/42/73/261284273.db2.gz GMJJAHYYTGDZSE-UHFFFAOYSA-N 0 0 275.371 4.018 10 0 CIAERN CCOc1cc(C)ccc1N[C@@H](C)c1cncs1 ZINC000165695369 261375820 /nfs/dbraw/zinc/37/58/20/261375820.db2.gz PBSTWTBCTQXGBP-NSHDSACASA-N 0 0 262.378 4.023 10 0 CIAERN Cc1cnc(CN[C@H](C)c2ccc(CC(C)C)cc2)o1 ZINC000181407182 261430217 /nfs/dbraw/zinc/43/02/17/261430217.db2.gz HYQKCQWIKHECCB-CQSZACIVSA-N 0 0 272.392 4.032 10 0 CIAERN C[C@@H](OC(=O)[C@H](C)c1cccnc1)c1ccccc1Cl ZINC000178640726 261753990 /nfs/dbraw/zinc/75/39/90/261753990.db2.gz PWPPKGXGFBFJKW-VXGBXAGGSA-N 0 0 289.762 4.143 10 0 CIAERN CCc1nc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2C)cs1 ZINC000182223069 261930498 /nfs/dbraw/zinc/93/04/98/261930498.db2.gz DIVKCULNKWQKFL-PRXAMGSTSA-N 0 0 286.444 4.290 10 0 CIAERN Cc1ccccc1N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000182531252 261941850 /nfs/dbraw/zinc/94/18/50/261941850.db2.gz ISSDBWXQYZUQQN-AWEZNQCLSA-N 0 0 296.370 4.125 10 0 CIAERN C[C@@H](c1ccccn1)N(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183540437 261979652 /nfs/dbraw/zinc/97/96/52/261979652.db2.gz GDWMETPYHRUYAX-QLFBSQMISA-N 0 0 288.435 4.063 10 0 CIAERN CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000222164946 262327711 /nfs/dbraw/zinc/32/77/11/262327711.db2.gz YSAKWAOZIBMWFT-XKAARJIMSA-N 0 0 267.463 4.452 10 0 CIAERN C[C@H](NC(=O)N1CCC2(CCC2)C1)c1ccc(Cl)s1 ZINC000093156016 263034563 /nfs/dbraw/zinc/03/45/63/263034563.db2.gz UXPVUGIWQLYYHG-JTQLQIEISA-N 0 0 298.839 4.048 10 0 CIAERN C[C@H](Nc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000276911538 263038510 /nfs/dbraw/zinc/03/85/10/263038510.db2.gz PDFGOHYXBYIUJS-LURJTMIESA-N 0 0 278.324 4.397 10 0 CIAERN CCc1nc(Cl)c(C)c(NCCCCC(F)(F)F)n1 ZINC000128948393 264305333 /nfs/dbraw/zinc/30/53/33/264305333.db2.gz WJSQUEVKMHDIIF-UHFFFAOYSA-N 0 0 295.736 4.145 10 0 CIAERN C[C@@H](Nc1ncccc1F)c1ccc(Cl)s1 ZINC000054700770 264344264 /nfs/dbraw/zinc/34/42/64/264344264.db2.gz QMIUDRXSWMENRC-SSDOTTSWSA-N 0 0 256.733 4.109 10 0 CIAERN CCn1ccnc1CSCc1ccc(Cl)c(F)c1 ZINC000190805891 264969340 /nfs/dbraw/zinc/96/93/40/264969340.db2.gz QBDUHLPJIHGNGN-UHFFFAOYSA-N 0 0 284.787 4.129 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c(F)c1 ZINC000094195803 265223724 /nfs/dbraw/zinc/22/37/24/265223724.db2.gz NSLLIDUEQXSPMT-NSHDSACASA-N 0 0 291.753 4.279 10 0 CIAERN Cc1ccc(F)c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000094820610 265257981 /nfs/dbraw/zinc/25/79/81/265257981.db2.gz DXHPQXZFYQPQPJ-LBPRGKRZSA-N 0 0 289.325 4.073 10 0 CIAERN O=C(c1csc2ccccc12)N1CCC[C@H]1c1ccco1 ZINC000116043388 267120880 /nfs/dbraw/zinc/12/08/80/267120880.db2.gz ALYGSUAWYJWNGZ-AWEZNQCLSA-N 0 0 297.379 4.472 10 0 CIAERN CC(C)C[C@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116045781 267121248 /nfs/dbraw/zinc/12/12/48/267121248.db2.gz RLOKGOVPQXMFLN-KBPBESRZSA-N 0 0 263.381 4.015 10 0 CIAERN CSc1ccsc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047096 267121273 /nfs/dbraw/zinc/12/12/73/267121273.db2.gz GZFVLXNRPCZSKI-JTQLQIEISA-N 0 0 293.413 4.040 10 0 CIAERN CC(C)C[C@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116045777 267121315 /nfs/dbraw/zinc/12/13/15/267121315.db2.gz RLOKGOVPQXMFLN-UONOGXRCSA-N 0 0 263.381 4.015 10 0 CIAERN Cc1ccc2cc(C(=O)N3CCC[C@@H]3c3ccco3)[nH]c2c1 ZINC000116212345 267134072 /nfs/dbraw/zinc/13/40/72/267134072.db2.gz FZBWEDFXVDSXHU-MRXNPFEDSA-N 0 0 294.354 4.047 10 0 CIAERN c1coc([C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 ZINC000116297259 267137485 /nfs/dbraw/zinc/13/74/85/267137485.db2.gz HWDCRVQQPMLZQC-OAHLLOKOSA-N 0 0 294.354 4.272 10 0 CIAERN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116474007 267153044 /nfs/dbraw/zinc/15/30/44/267153044.db2.gz IADWXSDBYJWVMX-OAHLLOKOSA-N 0 0 284.359 4.265 10 0 CIAERN C[C@H](NC(=O)Cc1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000118975730 267283195 /nfs/dbraw/zinc/28/31/95/267283195.db2.gz CDEUVZBKCVPELK-VIFPVBQESA-N 0 0 298.169 4.006 10 0 CIAERN O=C(Nc1ccc2ncsc2c1)c1cccc2[nH]ccc21 ZINC000170023509 327637850 /nfs/dbraw/zinc/63/78/50/327637850.db2.gz RXRSTIGLLHCNOA-UHFFFAOYSA-N 0 0 293.351 4.030 10 0 CIAERN Clc1ccc(OCc2ccccc2)cc1Cl ZINC000575154995 327654255 /nfs/dbraw/zinc/65/42/55/327654255.db2.gz VTZGHZROKCHAOP-UHFFFAOYSA-N 0 0 252.120 4.228 10 0 CIAERN Clc1cc(Cl)cc(OCc2ccccc2)c1 ZINC000575154566 327654707 /nfs/dbraw/zinc/65/47/07/327654707.db2.gz AOZUPLGESQGSCS-UHFFFAOYSA-N 0 0 252.120 4.228 10 0 CIAERN Clc1cnc(N[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000047915296 327682528 /nfs/dbraw/zinc/68/25/28/327682528.db2.gz LNUWULCZAXNJQX-LBPRGKRZSA-N 0 0 295.169 4.324 10 0 CIAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H](C)c2cccnc2)cc1 ZINC000173654063 327772777 /nfs/dbraw/zinc/77/27/77/327772777.db2.gz WRRGGGDCFMILSV-CABCVRRESA-N 0 0 296.414 4.186 10 0 CIAERN C[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000163715929 328042086 /nfs/dbraw/zinc/04/20/86/328042086.db2.gz RSUKHSAOSZLRJA-HZSPNIEDSA-N 0 0 292.448 4.023 10 0 CIAERN CC(C)n1ccnc1CSCc1c(F)cccc1F ZINC000182838010 329245549 /nfs/dbraw/zinc/24/55/49/329245549.db2.gz CCVOVEOXBKAKNV-UHFFFAOYSA-N 0 0 282.359 4.176 10 0 CIAERN CC[C@H](Nc1ncnc2sccc21)c1ccccc1 ZINC000050197657 328391263 /nfs/dbraw/zinc/39/12/63/328391263.db2.gz SFDWGQILJSYAAK-ZDUSSCGKSA-N 0 0 269.373 4.255 10 0 CIAERN O=C(/C=C\c1cccc(Cl)c1)Nc1ccc(F)c(F)c1 ZINC000033744193 326900998 /nfs/dbraw/zinc/90/09/98/326900998.db2.gz VEDFTPCZDGYCGB-DAXSKMNVSA-N 0 0 293.700 4.270 10 0 CIAERN CCCn1ccc(CNc2cc(OC)ccc2Cl)c1 ZINC000091012984 327165236 /nfs/dbraw/zinc/16/52/36/327165236.db2.gz NYPNQVDPUGXTCW-UHFFFAOYSA-N 0 0 278.783 4.172 10 0 CIAERN CCC1(NC(=O)N[C@H](C)c2ccc(Cl)s2)CCC1 ZINC000091230021 327167219 /nfs/dbraw/zinc/16/72/19/327167219.db2.gz IBLUOLDJSCRBJZ-SECBINFHSA-N 0 0 286.828 4.094 10 0 CIAERN CC[C@H](Nc1cc(C(C)C)ncn1)c1ccccc1 ZINC000051628796 328626397 /nfs/dbraw/zinc/62/63/97/328626397.db2.gz OHNMEMWEJKJEIN-AWEZNQCLSA-N 0 0 255.365 4.163 10 0 CIAERN CCOc1ccc([C@H](C)Nc2cc(OC)ccc2F)cc1 ZINC000094854821 328626881 /nfs/dbraw/zinc/62/68/81/328626881.db2.gz DADZIKWMVDROPA-LBPRGKRZSA-N 0 0 289.350 4.406 10 0 CIAERN CC(C)(C)CCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116039022 328933791 /nfs/dbraw/zinc/93/37/91/328933791.db2.gz IQRBPINNKIMRNP-CYBMUJFWSA-N 0 0 263.381 4.160 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cccc(C(F)F)c2)o1 ZINC000171435793 329075904 /nfs/dbraw/zinc/07/59/04/329075904.db2.gz NUXNFPOPVPQERL-JTQLQIEISA-N 0 0 279.286 4.017 10 0 CIAERN CCCCC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000173444323 329146954 /nfs/dbraw/zinc/14/69/54/329146954.db2.gz WKENBCDSQJQUTP-GOEBONIOSA-N 0 0 291.439 4.070 10 0 CIAERN O=C(CCCC1CCCC1)N1CCC[C@H]1c1ccco1 ZINC000173509487 329148524 /nfs/dbraw/zinc/14/85/24/329148524.db2.gz JXUISUFUPRDXMG-HNNXBMFYSA-N 0 0 275.392 4.304 10 0 CIAERN O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000176329289 329174653 /nfs/dbraw/zinc/17/46/53/329174653.db2.gz WZCZZPSXDVOSED-JHBSALDVSA-N 0 0 299.345 4.186 10 0 CIAERN C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)O1 ZINC000178060797 329191959 /nfs/dbraw/zinc/19/19/59/329191959.db2.gz RROFYMYRCOCZAK-MEDUHNTESA-N 0 0 295.338 4.092 10 0 CIAERN CC1(C)CCC[C@H](C(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000178927304 329203106 /nfs/dbraw/zinc/20/31/06/329203106.db2.gz PRQXEXLNIQAIPA-UONOGXRCSA-N 0 0 275.392 4.160 10 0 CIAERN C[C@H](Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccccn1 ZINC000179620884 329210605 /nfs/dbraw/zinc/21/06/05/329210605.db2.gz KVQVWZBKLWXHRC-LBPRGKRZSA-N 0 0 298.777 4.094 10 0 CIAERN CC(=O)Nc1ccc([C@@H](C)Nc2ccccc2C)cc1 ZINC000182181184 329240457 /nfs/dbraw/zinc/24/04/57/329240457.db2.gz NJIUNOMWQQUYID-CYBMUJFWSA-N 0 0 268.360 4.127 10 0 CIAERN Cc1ccc(-c2n[nH]cc2CNc2ccc(C)nc2C)cc1 ZINC000184900179 329263788 /nfs/dbraw/zinc/26/37/88/329263788.db2.gz LTZQLWNHHLKTBO-UHFFFAOYSA-N 0 0 292.386 4.009 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116420255 329545113 /nfs/dbraw/zinc/54/51/13/329545113.db2.gz UEDAINCOVJCIDL-HOCLYGCPSA-N 0 0 298.386 4.196 10 0 CIAERN CCOC(=O)[C@@H](C)c1nc(-c2cccc(Cl)c2)cs1 ZINC000336811579 329558463 /nfs/dbraw/zinc/55/84/63/329558463.db2.gz NPRAYJNJVXXQPS-VIFPVBQESA-N 0 0 295.791 4.130 10 0 CIAERN CSCCCCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125186851 329578953 /nfs/dbraw/zinc/57/89/53/329578953.db2.gz PQQKRBOHPCJVBP-BBRMVZONSA-N 0 0 291.460 4.275 10 0 CIAERN Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000133813791 329655646 /nfs/dbraw/zinc/65/56/46/329655646.db2.gz RRDCWQITBQWTEC-QGZVFWFLSA-N 0 0 297.398 4.193 10 0 CIAERN CC1(C)CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000194137714 329685371 /nfs/dbraw/zinc/68/53/71/329685371.db2.gz KIVRAPVBWIQBPA-ZIAGYGMSSA-N 0 0 275.392 4.160 10 0 CIAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@H]1c1ccco1 ZINC000246983500 329873926 /nfs/dbraw/zinc/87/39/26/329873926.db2.gz PEKYJCIDRLSASZ-XHSDSOJGSA-N 0 0 287.403 4.160 10 0 CIAERN CCCCSCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000248179179 329888243 /nfs/dbraw/zinc/88/82/43/329888243.db2.gz XPNSVFPNAKZKKC-MRXNPFEDSA-N 0 0 291.460 4.104 10 0 CIAERN Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000248589442 329895330 /nfs/dbraw/zinc/89/53/30/329895330.db2.gz RKUJJHWLUIMEKG-WXHSDQCUSA-N 0 0 294.464 4.091 10 0 CIAERN CC(C)c1nn(C)cc1N[C@@H]1CCCc2sccc21 ZINC000336809954 330123521 /nfs/dbraw/zinc/12/35/21/330123521.db2.gz XOYWFPUQFQKFBC-GFCCVEGCSA-N 0 0 275.421 4.095 10 0 CIAERN FC(F)(F)CNCc1cc(C(F)(F)F)ccc1Cl ZINC000510178225 332896176 /nfs/dbraw/zinc/89/61/76/332896176.db2.gz XMZIFSGBIRCQBA-UHFFFAOYSA-N 0 0 291.622 4.011 10 0 CIAERN CCC(=O)c1ccc(-c2ccc3c(c2)CCOC3)cc1 ZINC000527587079 330264454 /nfs/dbraw/zinc/26/44/54/330264454.db2.gz DKAVSPXSXPBXAB-UHFFFAOYSA-N 0 0 266.340 4.019 10 0 CIAERN CC[C@@H](c1ccccc1)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371449 330337228 /nfs/dbraw/zinc/33/72/28/330337228.db2.gz VZGXNGAKQGLOJS-KRWDZBQOSA-N 0 0 297.446 4.053 10 0 CIAERN CCc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000055274634 330364026 /nfs/dbraw/zinc/36/40/26/330364026.db2.gz VXSUMPGEHBQCBO-KBPBESRZSA-N 0 0 299.336 4.100 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1nc(C(C)C)ns1 ZINC000087641304 330373829 /nfs/dbraw/zinc/37/38/29/330373829.db2.gz DTPUQGWXBGQQRG-LLVKDONJSA-N 0 0 261.394 4.143 10 0 CIAERN Cc1ccc(-c2cc(C(F)(F)F)c(Cl)nn2)cc1 ZINC000536960635 330384167 /nfs/dbraw/zinc/38/41/67/330384167.db2.gz SEDYMTNEPGROSY-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN Fc1cccc(-c2cc(Br)cs2)c1 ZINC000536961294 330384379 /nfs/dbraw/zinc/38/43/79/330384379.db2.gz YULBMOMPFQNHQB-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2ccsc2)c1 ZINC000094854372 330429667 /nfs/dbraw/zinc/42/96/67/330429667.db2.gz MFESZAZOXVHWKW-SECBINFHSA-N 0 0 251.326 4.069 10 0 CIAERN CCCOc1cc(C)ccc1N[C@@H](C)c1cncs1 ZINC000165697214 331306403 /nfs/dbraw/zinc/30/64/03/331306403.db2.gz XTDKCOYSDLUEOT-LBPRGKRZSA-N 0 0 276.405 4.413 10 0 CIAERN CC[C@]12CC[C@@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C=C[C@@H]2O ZINC000504361696 332709273 /nfs/dbraw/zinc/70/92/73/332709273.db2.gz QZNDMYQKEAEONA-DEPCRRQNSA-N 0 0 298.426 4.078 10 0 CIAERN CCC(CC)NC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173293829 332968332 /nfs/dbraw/zinc/96/83/32/332968332.db2.gz HRIAXFPLEXMRAA-AWEZNQCLSA-N 0 0 278.396 4.013 10 0 CIAERN C[C@H](NC(=O)N1C[C@H](C)CCC[C@@H]1C)c1cccs1 ZINC000174820433 333007997 /nfs/dbraw/zinc/00/79/97/333007997.db2.gz DUHMVLMXDKEELW-AGIUHOORSA-N 0 0 280.437 4.029 10 0 CIAERN CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000175184078 333016678 /nfs/dbraw/zinc/01/66/78/333016678.db2.gz GYRVZQDPYGSZMZ-RWMBFGLXSA-N 0 0 294.464 4.418 10 0 CIAERN CC[C@H](SCc1nccn1CC)c1ccccc1 ZINC000175295417 333020230 /nfs/dbraw/zinc/02/02/30/333020230.db2.gz UMDNAODYVYKELO-AWEZNQCLSA-N 0 0 260.406 4.288 10 0 CIAERN CC(C)N(C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)C1CC1 ZINC000175983810 333038369 /nfs/dbraw/zinc/03/83/69/333038369.db2.gz RLHIGVNHMYAPJH-JTQLQIEISA-N 0 0 298.789 4.123 10 0 CIAERN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000176163494 333039700 /nfs/dbraw/zinc/03/97/00/333039700.db2.gz WZXYWXCWBWUNDT-JTQLQIEISA-N 0 0 295.741 4.180 10 0 CIAERN CC(C)CC1(C(=O)N[C@@H](C)c2cccs2)CCC1 ZINC000176332039 333040999 /nfs/dbraw/zinc/04/09/99/333040999.db2.gz NJLUTXNNHUVGKL-LBPRGKRZSA-N 0 0 265.422 4.142 10 0 CIAERN C[C@H](Nc1ccncc1Cl)c1ccc(F)c(F)c1 ZINC000176747622 333046577 /nfs/dbraw/zinc/04/65/77/333046577.db2.gz IWARTGNDAJDAJG-QMMMGPOBSA-N 0 0 268.694 4.186 10 0 CIAERN CCc1nc(C)cc(N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000311436362 333068456 /nfs/dbraw/zinc/06/84/56/333068456.db2.gz HNARKZBTTIRNTB-NSHDSACASA-N 0 0 275.783 4.174 10 0 CIAERN Cc1cc(Cl)ccc1C(=O)N[C@@H](C)c1cccs1 ZINC000178208783 333069387 /nfs/dbraw/zinc/06/93/87/333069387.db2.gz IPCQRJQAQQKFBU-JTQLQIEISA-N 0 0 279.792 4.201 10 0 CIAERN Cc1cc(Cl)ccc1C(=O)N[C@H](C)c1cccs1 ZINC000178208797 333069475 /nfs/dbraw/zinc/06/94/75/333069475.db2.gz IPCQRJQAQQKFBU-SNVBAGLBSA-N 0 0 279.792 4.201 10 0 CIAERN Cc1cc(N2CCCC2)ccc1N[C@@H]1CCC1(C)C ZINC000311667708 333071035 /nfs/dbraw/zinc/07/10/35/333071035.db2.gz XULLVFNZHJICAN-MRXNPFEDSA-N 0 0 258.409 4.196 10 0 CIAERN C[C@@H](NC(=O)[C@@H](C)C1CC1)c1ccc2ccccc2c1 ZINC000178387420 333072023 /nfs/dbraw/zinc/07/20/23/333072023.db2.gz HXYBUOBTBYTYLC-QWHCGFSZSA-N 0 0 267.372 4.063 10 0 CIAERN CCCCc1ccc(N[C@H](C)c2cn(C)nc2C)cc1 ZINC000087407066 333083560 /nfs/dbraw/zinc/08/35/60/333083560.db2.gz PNPVNVINTRMKCD-CYBMUJFWSA-N 0 0 271.408 4.244 10 0 CIAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000087409549 333083629 /nfs/dbraw/zinc/08/36/29/333083629.db2.gz UHSVRCTWWZZLKN-SNVBAGLBSA-N 0 0 297.324 4.229 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2cccc3cc[nH]c32)cc1F ZINC000088353058 333088188 /nfs/dbraw/zinc/08/81/88/333088188.db2.gz WDLGIZQDBQRVBX-GFCCVEGCSA-N 0 0 296.345 4.106 10 0 CIAERN Cc1ccc([C@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)cc1F ZINC000088511460 333089647 /nfs/dbraw/zinc/08/96/47/333089647.db2.gz SSDDWFVBCSYEPT-JTQLQIEISA-N 0 0 297.295 4.402 10 0 CIAERN COc1ccc(F)c(N[C@@H]2CCc3c2cccc3F)c1 ZINC000214560645 333117080 /nfs/dbraw/zinc/11/70/80/333117080.db2.gz UOTAXVBYCFMHTO-OAHLLOKOSA-N 0 0 275.298 4.073 10 0 CIAERN C=Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000185245564 333137408 /nfs/dbraw/zinc/13/74/08/333137408.db2.gz SMCDOQNQPILENY-KBPBESRZSA-N 0 0 297.320 4.181 10 0 CIAERN Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C)c1Br ZINC000220840504 333169654 /nfs/dbraw/zinc/16/96/54/333169654.db2.gz BHGDNNLHBPTQMU-ONGXEEELSA-N 0 0 296.208 4.132 10 0 CIAERN OCc1cccc(N[C@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000191943778 333227399 /nfs/dbraw/zinc/22/73/99/333227399.db2.gz KIIVJQHFBPYHNS-MSOLQXFVSA-N 0 0 285.362 4.066 10 0 CIAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccoc1Cl ZINC000192291371 333234086 /nfs/dbraw/zinc/23/40/86/333234086.db2.gz OBLBHIVZBJXMHU-GFCCVEGCSA-N 0 0 296.153 4.004 10 0 CIAERN CCn1nc(C)c([C@H](C)Nc2cc(F)cc(Cl)c2)c1C ZINC000226038916 333246441 /nfs/dbraw/zinc/24/64/41/333246441.db2.gz WRXABFXXMJNSAY-VIFPVBQESA-N 0 0 295.789 4.485 10 0 CIAERN c1cc2c(ccnc2N[C@@H]2CCCc3ccccc32)o1 ZINC000227531651 333285344 /nfs/dbraw/zinc/28/53/44/333285344.db2.gz GVCQAVOPTADWMC-OAHLLOKOSA-N 0 0 264.328 4.317 10 0 CIAERN CCS[C@@H]1CC[C@H](Nc2nc3ccccc3nc2C)C1 ZINC000230922748 333322650 /nfs/dbraw/zinc/32/26/50/333322650.db2.gz VAYJOIVVRZRRGZ-QWHCGFSZSA-N 0 0 287.432 4.024 10 0 CIAERN CCS[C@@H]1CC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000230922821 333322731 /nfs/dbraw/zinc/32/27/31/333322731.db2.gz FQYLZVUKKUCLBH-NXEZZACHSA-N 0 0 290.354 4.187 10 0 CIAERN CSC1(CNc2ccc(C(F)(F)F)cc2)CC1 ZINC000235162576 333366371 /nfs/dbraw/zinc/36/63/71/333366371.db2.gz DTOVNLCSXZUWMA-UHFFFAOYSA-N 0 0 261.312 4.013 10 0 CIAERN Cc1cnc([C@@H](C)Nc2cc(C)[nH+]c3ccccc23)o1 ZINC000235287537 333367284 /nfs/dbraw/zinc/36/72/84/333367284.db2.gz KREJSPMLHUZOOU-GFCCVEGCSA-N 0 0 267.332 4.013 10 0 CIAERN Cc1ccnc(N[C@@H](C)c2cccs2)c1Br ZINC000235542332 333370726 /nfs/dbraw/zinc/37/07/26/333370726.db2.gz OACPIJWGEVHXEX-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN Cc1nocc1CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000339171334 335142092 /nfs/dbraw/zinc/14/20/92/335142092.db2.gz LZMURANIWBJWAW-MRVPVSSYSA-N 0 0 285.174 4.141 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1cccc(-n2cccn2)c1 ZINC000037127493 333490671 /nfs/dbraw/zinc/49/06/71/333490671.db2.gz AYMZRUUSSKWNOO-OAHLLOKOSA-N 0 0 277.371 4.354 10 0 CIAERN c1cc(-c2cccc(N[C@@H]3CCc4ccccc43)c2)n[nH]1 ZINC000037137345 333496717 /nfs/dbraw/zinc/49/67/17/333496717.db2.gz KPUOSNCWBPDCMG-GOSISDBHSA-N 0 0 275.355 4.176 10 0 CIAERN COc1ccc([C@H](Nc2cccc(OC)c2)C2CC2)cc1 ZINC000037215482 333515801 /nfs/dbraw/zinc/51/58/01/333515801.db2.gz WJGLSUZPJVCXHF-GOSISDBHSA-N 0 0 283.371 4.267 10 0 CIAERN C[C@H](NCc1nc2ccccc2n1C)c1cccc(Cl)c1 ZINC000066969818 333631875 /nfs/dbraw/zinc/63/18/75/333631875.db2.gz SUKUZBYBQBZKOK-LBPRGKRZSA-N 0 0 299.805 4.078 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cc(F)c(Cl)cc2F)o1 ZINC000128871786 333722519 /nfs/dbraw/zinc/72/25/19/333722519.db2.gz OYZCODLAGNRDEA-QMMMGPOBSA-N 0 0 299.704 4.011 10 0 CIAERN C[C@@H](NC(=O)N1CCC[C@H]1C)c1ccc2ccccc2c1 ZINC000073489577 333973318 /nfs/dbraw/zinc/97/33/18/333973318.db2.gz CPQNRVLDYFHFPE-ZIAGYGMSSA-N 0 0 282.387 4.095 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](CC)SC)o1 ZINC000132568070 333985074 /nfs/dbraw/zinc/98/50/74/333985074.db2.gz UCMOLUMGSIZPMA-ZFWWWQNUSA-N 0 0 295.448 4.037 10 0 CIAERN CCc1cnc([C@H](C)Nc2cc(C)nc(C(C)C)n2)s1 ZINC000134929380 334108907 /nfs/dbraw/zinc/10/89/07/334108907.db2.gz MUAFOQQVLLKECV-NSHDSACASA-N 0 0 290.436 4.100 10 0 CIAERN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)c1cccs1 ZINC000078026345 334121046 /nfs/dbraw/zinc/12/10/46/334121046.db2.gz BFKBCIYDZQKPGL-DOMZBBRYSA-N 0 0 285.412 4.045 10 0 CIAERN CC[C@H]1CC[C@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000080427876 334171194 /nfs/dbraw/zinc/17/11/94/334171194.db2.gz COYWFBWHWBGOME-LRDDRELGSA-N 0 0 272.392 4.026 10 0 CIAERN CC[C@@H]1CC[C@@H](Nc2ccccc2N2CCCC2)C1 ZINC000080438181 334171481 /nfs/dbraw/zinc/17/14/81/334171481.db2.gz MHFVNRZBLQKEHF-HUUCEWRRSA-N 0 0 258.409 4.277 10 0 CIAERN COc1cccc(/C(C)=C/c2nc(-c3ccsc3)no2)c1 ZINC000081533204 334194662 /nfs/dbraw/zinc/19/46/62/334194662.db2.gz DTBBCMDFAOKCJV-DHZHZOJOSA-N 0 0 298.367 4.367 10 0 CIAERN COCc1ccccc1N[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081631226 334201098 /nfs/dbraw/zinc/20/10/98/334201098.db2.gz HPBJETCLPHIKBX-GDBMZVCRSA-N 0 0 259.393 4.214 10 0 CIAERN O=C(Nc1cccc(C(F)F)c1)c1cccc2[nH]ccc21 ZINC000081649913 334202083 /nfs/dbraw/zinc/20/20/83/334202083.db2.gz JVSXKBPSUJEUBE-UHFFFAOYSA-N 0 0 286.281 4.358 10 0 CIAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccccc1C ZINC000245930493 334224556 /nfs/dbraw/zinc/22/45/56/334224556.db2.gz JBWDPKOKALUGHN-IMJJTQAJSA-N 0 0 299.439 4.346 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000248151129 334295932 /nfs/dbraw/zinc/29/59/32/334295932.db2.gz JZUGQGQAYSUAMC-DOPJRALCSA-N 0 0 297.373 4.115 10 0 CIAERN O=C(Nc1ccccc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000154785073 334704681 /nfs/dbraw/zinc/70/46/81/334704681.db2.gz PKIITUGKGFDIBQ-INIZCTEOSA-N 0 0 284.334 4.025 10 0 CIAERN CCc1ccc([C@H](C)Nc2nnc(C(F)F)s2)cc1 ZINC000268583757 334713382 /nfs/dbraw/zinc/71/33/82/334713382.db2.gz KDJRSWWEARQOAQ-QMMMGPOBSA-N 0 0 283.347 4.211 10 0 CIAERN CC(C)c1nnc(CSCc2cccc(Cl)c2)n1C ZINC000194697995 336037708 /nfs/dbraw/zinc/03/77/08/336037708.db2.gz XURCKEBZZUFEKQ-UHFFFAOYSA-N 0 0 295.839 4.025 10 0 CIAERN CC[C@H](Nc1cccc(-n2cccn2)c1)c1ccsc1 ZINC000382098152 336081692 /nfs/dbraw/zinc/08/16/92/336081692.db2.gz JDWJYQQCOKAWDA-INIZCTEOSA-N 0 0 283.400 4.497 10 0 CIAERN CCCCCC[C@H](C)OCc1cccnc1NCC ZINC000052755188 520132365 /nfs/dbraw/zinc/13/23/65/520132365.db2.gz FTHQNDSQSLSNIF-AWEZNQCLSA-N 0 0 264.413 4.389 10 0 CIAERN CCCNc1snnc1CSc1ccc(Cl)cc1 ZINC000050833799 520204687 /nfs/dbraw/zinc/20/46/87/520204687.db2.gz OBKDIQTZAYLQLC-UHFFFAOYSA-N 0 0 299.852 4.306 10 0 CIAERN CCCCSCc1nc2sccc2c(NCC)n1 ZINC000050838370 520957945 /nfs/dbraw/zinc/95/79/45/520957945.db2.gz MXCXUSIFGDHGKM-UHFFFAOYSA-N 0 0 281.450 4.156 10 0 CIAERN CCC[C@H](Nc1cccc(F)c1N)c1cccs1 ZINC000049542378 521179444 /nfs/dbraw/zinc/17/94/44/521179444.db2.gz VECJJJLYMMIEAY-NSHDSACASA-N 0 0 264.369 4.423 10 0 CIAERN CCN(c1ccc([C@H](C)O)cc1Cl)C1CCCC1 ZINC000061695380 521492875 /nfs/dbraw/zinc/49/28/75/521492875.db2.gz HGKHUEIHZUJPOY-NSHDSACASA-N 0 0 267.800 4.162 10 0 CIAERN CN[C@@H](c1ccc(Cl)cc1F)c1cc(C)ccc1F ZINC000062786238 522368110 /nfs/dbraw/zinc/36/81/10/522368110.db2.gz KCWNIZKKTAZCKR-HNNXBMFYSA-N 0 0 281.733 4.235 10 0 CIAERN CC(=O)c1cc(Cl)ccc1OCCC(C)(C)C ZINC000050210661 518280758 /nfs/dbraw/zinc/28/07/58/518280758.db2.gz CRSRANPRHSXSAP-UHFFFAOYSA-N 0 0 254.757 4.358 10 0 CIAERN CC(=O)c1ccc(SCc2ccccc2C)cc1 ZINC000054964169 518410396 /nfs/dbraw/zinc/41/03/96/518410396.db2.gz HCJKAGGIZINGDK-UHFFFAOYSA-N 0 0 256.370 4.490 10 0 CIAERN Cc1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3o2)n1 ZINC000301293312 534403221 /nfs/dbraw/zinc/40/32/21/534403221.db2.gz VYUBGRFUFUETRZ-JTQLQIEISA-N 0 0 287.750 4.358 10 0 CIAERN CC(=O)CCCCn1cc(Br)c2ccccc21 ZINC000055310362 519412238 /nfs/dbraw/zinc/41/22/38/519412238.db2.gz NCFDYOBVBWHPOF-UHFFFAOYSA-N 0 0 294.192 4.163 10 0 CIAERN Cc1nc(Cl)cc(N[C@H](c2ccccc2)[C@H]2C[C@@H]2C)n1 ZINC000301280471 534425748 /nfs/dbraw/zinc/42/57/48/534425748.db2.gz JYHYBHBRHWHTAX-YNZJMPHRSA-N 0 0 287.794 4.248 10 0 CIAERN CC(C)Cc1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000139060285 519449602 /nfs/dbraw/zinc/44/96/02/519449602.db2.gz LDOLTRLQVNBVKS-UONOGXRCSA-N 0 0 271.408 4.020 10 0 CIAERN CC(C)Nc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000062668536 519740994 /nfs/dbraw/zinc/74/09/94/519740994.db2.gz QYVSLUVIAJSRBT-UHFFFAOYSA-N 0 0 270.163 4.204 10 0 CIAERN CC(C)Oc1ccc([C@@H](O)C2CCCCCC2)cc1 ZINC000053715954 519781681 /nfs/dbraw/zinc/78/16/81/519781681.db2.gz FAQWSQUSQIRRHU-KRWDZBQOSA-N 0 0 262.393 4.478 10 0 CIAERN CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@@H]1C ZINC000076032941 519841267 /nfs/dbraw/zinc/84/12/67/519841267.db2.gz HEAWRSMOOYOXPG-WFASDCNBSA-N 0 0 274.408 4.463 10 0 CIAERN CCCCC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000128572594 519906782 /nfs/dbraw/zinc/90/67/82/519906782.db2.gz RXZMQXIQLVEMIA-AWEZNQCLSA-N 0 0 263.381 4.086 10 0 CIAERN CCCNc1ccc(Oc2ccccc2OC)cc1 ZINC000062796950 520165250 /nfs/dbraw/zinc/16/52/50/520165250.db2.gz LCKJKWIVZNSVRM-UHFFFAOYSA-N 0 0 257.333 4.309 10 0 CIAERN CCCNc1nc(CSCC(C)C)nc2sccc21 ZINC000050837642 520187953 /nfs/dbraw/zinc/18/79/53/520187953.db2.gz XAMRCHXMXJTSEQ-UHFFFAOYSA-N 0 0 295.477 4.402 10 0 CIAERN CCNc1cc(C(F)F)nc2c(OC)ccc(Cl)c12 ZINC000061629624 520265423 /nfs/dbraw/zinc/26/54/23/520265423.db2.gz QUXJEQCEGYLAMF-UHFFFAOYSA-N 0 0 286.709 4.266 10 0 CIAERN CCNc1ccc(Cl)c(CO[C@H](C)CC(C)C)n1 ZINC000061640315 520309413 /nfs/dbraw/zinc/30/94/13/520309413.db2.gz QPLAZGCRDIPELL-LLVKDONJSA-N 0 0 270.804 4.118 10 0 CIAERN CCCCN(C(=O)c1cc(Cl)ccc1O)[C@H](C)CC ZINC000055487523 520355384 /nfs/dbraw/zinc/35/53/84/520355384.db2.gz NDEAQIXKNWUZBV-LLVKDONJSA-N 0 0 283.799 4.086 10 0 CIAERN CCCCN(C)C(=O)c1cc(Cl)ccc1NCCC ZINC000050712079 520393066 /nfs/dbraw/zinc/39/30/66/520393066.db2.gz TUEKPOYLSSYCLH-UHFFFAOYSA-N 0 0 282.815 4.034 10 0 CIAERN CCCOc1cccc(C(=O)c2ccc(C)cc2)c1 ZINC000061667434 520447216 /nfs/dbraw/zinc/44/72/16/520447216.db2.gz TYQLBFXTXNAEKN-UHFFFAOYSA-N 0 0 254.329 4.015 10 0 CIAERN CCCCN(CCCC)c1nc(C)c(C(C)=O)s1 ZINC000054861803 520499009 /nfs/dbraw/zinc/49/90/09/520499009.db2.gz BCIWVDVOQPHQQW-UHFFFAOYSA-N 0 0 268.426 4.061 10 0 CIAERN CCC[C@H](Nc1ccc(F)cn1)c1cccs1 ZINC000049545909 521179474 /nfs/dbraw/zinc/17/94/74/521179474.db2.gz JBGAWHUBUCSSQZ-NSHDSACASA-N 0 0 250.342 4.236 10 0 CIAERN CCCCc1nc(Cl)c(CN[C@@H](C)c2ccccc2)[nH]1 ZINC000088398636 521301429 /nfs/dbraw/zinc/30/14/29/521301429.db2.gz FPFABWWDWVBSMG-LBPRGKRZSA-N 0 0 291.826 4.257 10 0 CIAERN CCN(Cc1ccc(Cl)cc1N)c1ccc(F)cc1 ZINC000050443282 521311028 /nfs/dbraw/zinc/31/10/28/521311028.db2.gz VVVNBRKTQDOHDR-UHFFFAOYSA-N 0 0 278.758 4.088 10 0 CIAERN CCCc1cc(Cl)nc(C2(c3ccccc3)CC2)n1 ZINC000062780407 521366266 /nfs/dbraw/zinc/36/62/66/521366266.db2.gz AQCANVSTJPLCJE-UHFFFAOYSA-N 0 0 272.779 4.162 10 0 CIAERN CCC(CC)(c1ccccc1)[C@@H](O)Cc1cccs1 ZINC000062783566 521479946 /nfs/dbraw/zinc/47/99/46/521479946.db2.gz KITHOOXMUGUXAY-INIZCTEOSA-N 0 0 274.429 4.410 10 0 CIAERN CCCc1nc2cc(Br)cc(Cl)c2o1 ZINC000062556125 521542250 /nfs/dbraw/zinc/54/22/50/521542250.db2.gz VRCGWIVBIYCLFO-UHFFFAOYSA-N 0 0 274.545 4.196 10 0 CIAERN CCOc1ccccc1Nc1cc(C)nc2nc(C)ccc12 ZINC000047162403 521556445 /nfs/dbraw/zinc/55/64/45/521556445.db2.gz GPRGIKXYNQCIED-UHFFFAOYSA-N 0 0 293.370 4.389 10 0 CIAERN CCOc1ccccc1[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000036960054 521583361 /nfs/dbraw/zinc/58/33/61/521583361.db2.gz WFPMLHWMHWJAQX-UONOGXRCSA-N 0 0 273.376 4.399 10 0 CIAERN CCCN(CCC)c1ccc([C@@H](C)O)cc1Cl ZINC000061694716 521650860 /nfs/dbraw/zinc/65/08/60/521650860.db2.gz MHOBFEKBUKIFCV-LLVKDONJSA-N 0 0 255.789 4.020 10 0 CIAERN CCCN(CCC)c1ccc([C@H](C)O)cc1Cl ZINC000061694717 521651158 /nfs/dbraw/zinc/65/11/58/521651158.db2.gz MHOBFEKBUKIFCV-NSHDSACASA-N 0 0 255.789 4.020 10 0 CIAERN COC[C@@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000103391592 522176535 /nfs/dbraw/zinc/17/65/35/522176535.db2.gz IQGBEGWJOXJACU-GFCCVEGCSA-N 0 0 295.448 4.107 10 0 CIAERN COc1cc(Cl)c(C)cc1Nc1cc(C)nc(Cl)n1 ZINC000052814146 522520239 /nfs/dbraw/zinc/52/02/39/522520239.db2.gz NPNGQWVZKMWIRX-UHFFFAOYSA-N 0 0 298.173 4.152 10 0 CIAERN CNc1cc(C(F)(F)F)nc2c(Cl)cc(C)cc12 ZINC000050869019 522564932 /nfs/dbraw/zinc/56/49/32/522564932.db2.gz HSMLTWIYNQMCGR-UHFFFAOYSA-N 0 0 274.673 4.257 10 0 CIAERN CC[C@H](Nc1ccc(C(F)(F)F)cc1N)C(C)C ZINC000049128235 522764409 /nfs/dbraw/zinc/76/44/09/522764409.db2.gz SUEAKJQPNDGUTL-NSHDSACASA-N 0 0 260.303 4.134 10 0 CIAERN CC[C@H](Nc1ccc(F)cc1N)c1cccs1 ZINC000049529153 522767036 /nfs/dbraw/zinc/76/70/36/522767036.db2.gz QPXDSVQKFJFASP-NSHDSACASA-N 0 0 250.342 4.033 10 0 CIAERN CC[C@H](Nc1ccccc1[C@H](C)O)c1cccs1 ZINC000049542679 522776827 /nfs/dbraw/zinc/77/68/27/522776827.db2.gz XDHHJNNYWXEVSN-AAEUAGOBSA-N 0 0 261.390 4.365 10 0 CIAERN CC[C@H]1CCCC[C@H]1Nc1nncc2ccccc21 ZINC000047873456 523064021 /nfs/dbraw/zinc/06/40/21/523064021.db2.gz USUHBNPTLRPDPZ-SWLSCSKDSA-N 0 0 255.365 4.011 10 0 CIAERN CCc1sc([C@H](C)Nc2ccc3nccnc3n2)cc1C ZINC000157783230 523079629 /nfs/dbraw/zinc/07/96/29/523079629.db2.gz KEJBSVSLWULENY-NSHDSACASA-N 0 0 298.415 4.130 10 0 CIAERN CCc1ccc(C(=O)c2cc(Cl)ccc2Cl)o1 ZINC000051726253 523898764 /nfs/dbraw/zinc/89/87/64/523898764.db2.gz YPISYUMIRLRWTF-UHFFFAOYSA-N 0 0 269.127 4.380 10 0 CIAERN C[C@H]1CCC[C@@H](SCc2nc(N)ccc2Cl)C1 ZINC000061640812 524155032 /nfs/dbraw/zinc/15/50/32/524155032.db2.gz CYKAAUMCZMPHHX-VHSXEESVSA-N 0 0 270.829 4.129 10 0 CIAERN Cc1ccc(C)c([C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000052945432 524205304 /nfs/dbraw/zinc/20/53/04/524205304.db2.gz LKFFCRIKUXLNTR-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN Cc1cc(C)cc(CC(=O)c2ccccc2Cl)c1 ZINC000050438684 524373553 /nfs/dbraw/zinc/37/35/53/524373553.db2.gz LKFHLNMYJXKQSA-UHFFFAOYSA-N 0 0 258.748 4.382 10 0 CIAERN Cc1cc(C)cc(Nc2cccc(Cl)c2C(N)=S)c1 ZINC000052904132 524439416 /nfs/dbraw/zinc/43/94/16/524439416.db2.gz PSHYMSVMEZKLQI-UHFFFAOYSA-N 0 0 290.819 4.335 10 0 CIAERN Cc1cc(C)cc([C@@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785568 524464246 /nfs/dbraw/zinc/46/42/46/524464246.db2.gz KBRXMRZVSLVHJQ-OAHLLOKOSA-N 0 0 264.727 4.178 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@H](c1cccs1)C(C)C ZINC000049557845 524609886 /nfs/dbraw/zinc/60/98/86/524609886.db2.gz FVESTPJWGOZKJU-HNNXBMFYSA-N 0 0 261.390 4.224 10 0 CIAERN Cc1cccc(N[C@@H](C)c2cncs2)c1Cl ZINC000134532507 524695836 /nfs/dbraw/zinc/69/58/36/524695836.db2.gz IFPUNLWYAIWABO-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN Cc1cc(CNc2ccc(Cl)c(F)c2)c(C)n1C ZINC000052790079 524788714 /nfs/dbraw/zinc/78/87/14/524788714.db2.gz CKVLCYQXIDVPFR-UHFFFAOYSA-N 0 0 266.747 4.047 10 0 CIAERN Cc1cc(CNc2ccc(F)c(F)c2F)ccc1F ZINC000050544578 524788794 /nfs/dbraw/zinc/78/87/94/524788794.db2.gz LRTAGJYYGFSUMH-UHFFFAOYSA-N 0 0 269.241 4.164 10 0 CIAERN C[C@H]1C[C@@H](OC(=O)c2cccc(Cl)n2)CC(C)(C)C1 ZINC000070168435 524823557 /nfs/dbraw/zinc/82/35/57/524823557.db2.gz OMJJFHZMOJAVAB-WDEREUQCSA-N 0 0 281.783 4.107 10 0 CIAERN Cc1cc(Cl)cc2c1O[C@@H](c1ccccc1)CN2 ZINC000062538605 524878698 /nfs/dbraw/zinc/87/86/98/524878698.db2.gz HBRHDPXWBQCIIQ-CQSZACIVSA-N 0 0 259.736 4.194 10 0 CIAERN Cc1ccc(N(C)c2ccc([C@H](C)O)cc2Cl)cc1 ZINC000061696976 524890231 /nfs/dbraw/zinc/89/02/31/524890231.db2.gz KPEISQAKTPERKX-LBPRGKRZSA-N 0 0 275.779 4.470 10 0 CIAERN Cc1cccc2c(Cl)nc(-c3ccsc3)nc12 ZINC000062772425 524937916 /nfs/dbraw/zinc/93/79/16/524937916.db2.gz BLSNPKNSJZKAQC-UHFFFAOYSA-N 0 0 260.749 4.320 10 0 CIAERN Cc1cc(F)cc(Cl)c1NC(=O)OC(C)(C)C ZINC000299889063 524940230 /nfs/dbraw/zinc/94/02/30/524940230.db2.gz CXSXOECMHDEBIX-UHFFFAOYSA-N 0 0 259.708 4.135 10 0 CIAERN Cc1cc(F)ccc1-c1nc(C(C)(C)C)sc1N ZINC000050568982 524962507 /nfs/dbraw/zinc/96/25/07/524962507.db2.gz HCGINZFFOMBXOK-UHFFFAOYSA-N 0 0 264.369 4.137 10 0 CIAERN Cc1cc(F)ccc1[C@](C)(O)c1ccc(Cl)cc1 ZINC000055191035 525011084 /nfs/dbraw/zinc/01/10/84/525011084.db2.gz CBVCGWLAMIFMKW-OAHLLOKOSA-N 0 0 264.727 4.043 10 0 CIAERN Cc1cc(N)cnc1Nc1ccc(Cl)cc1Cl ZINC000052812422 525040811 /nfs/dbraw/zinc/04/08/11/525040811.db2.gz JXWMRWIWDGIBBP-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN C[C@](O)(Cc1ccc(F)cc1F)c1ccccc1Cl ZINC000050885507 525185602 /nfs/dbraw/zinc/18/56/02/525185602.db2.gz GOZUSBIENAVTRE-HNNXBMFYSA-N 0 0 282.717 4.068 10 0 CIAERN Cc1ccccc1N(C)c1ccc(Cl)cc1C(N)=S ZINC000052859088 525216072 /nfs/dbraw/zinc/21/60/72/525216072.db2.gz BNIRAVHTNRSGIB-UHFFFAOYSA-N 0 0 290.819 4.051 10 0 CIAERN Cc1ccc(NCCOc2ccc(Cl)cc2C)cc1 ZINC000066162294 525279242 /nfs/dbraw/zinc/27/92/42/525279242.db2.gz DPQDYNKFMGIWHQ-UHFFFAOYSA-N 0 0 275.779 4.448 10 0 CIAERN Cc1ccc(NCc2c[nH]c3ccccc23)cc1F ZINC000049136645 525281961 /nfs/dbraw/zinc/28/19/61/525281961.db2.gz JRQIZGBELHJTGK-UHFFFAOYSA-N 0 0 254.308 4.228 10 0 CIAERN Cc1ccc(N[C@H](C)c2ccc(Cl)cc2)c(N)c1 ZINC000049515514 525316998 /nfs/dbraw/zinc/31/69/98/525316998.db2.gz PTCDSQJQGSYTCW-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Nc2ccc(C(N)=S)cc2Cl)c(F)c1 ZINC000062795215 525322524 /nfs/dbraw/zinc/32/25/24/525322524.db2.gz DVSQINKUQPHUJZ-UHFFFAOYSA-N 0 0 294.782 4.165 10 0 CIAERN Cc1ccc(Nc2ccc(Cl)c(F)c2)cc1N ZINC000061701614 525322725 /nfs/dbraw/zinc/32/27/25/525322725.db2.gz KMDWGWNEILZKJT-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(Nc2ccccc2C(F)(F)F)cc1N ZINC000061700961 525324899 /nfs/dbraw/zinc/32/48/99/525324899.db2.gz UBPRDMRKCDSYRX-UHFFFAOYSA-N 0 0 266.266 4.340 10 0 CIAERN Cc1ccccc1Oc1ccc(C(N)=S)cc1Cl ZINC000062796413 525326512 /nfs/dbraw/zinc/32/65/12/525326512.db2.gz LSRWWDWXGSXTRP-UHFFFAOYSA-N 0 0 277.776 4.075 10 0 CIAERN COc1ccc([C@H](O)c2ccc(Cl)s2)cc1Cl ZINC000051172823 525379693 /nfs/dbraw/zinc/37/96/93/525379693.db2.gz GVTYZWARSDWACB-LBPRGKRZSA-N 0 0 289.183 4.145 10 0 CIAERN Cc1ccc(OCCCNc2ccccc2)cc1C ZINC000053566557 525413289 /nfs/dbraw/zinc/41/32/89/525413289.db2.gz ZIFIORIKSZYEAF-UHFFFAOYSA-N 0 0 255.361 4.184 10 0 CIAERN Cc1cc([C@@H](C)Nc2cccc(F)c2N)c(C)s1 ZINC000049506233 525478984 /nfs/dbraw/zinc/47/89/84/525478984.db2.gz QVHLYNUOXGRTCY-SECBINFHSA-N 0 0 264.369 4.259 10 0 CIAERN Cc1cc([C@H](C)Nc2ccc(N)cc2C)c(C)s1 ZINC000049506154 525532647 /nfs/dbraw/zinc/53/26/47/525532647.db2.gz ZNNXERJJYKJLRT-NSHDSACASA-N 0 0 260.406 4.429 10 0 CIAERN C[C@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1cccs1 ZINC000193112494 525536772 /nfs/dbraw/zinc/53/67/72/525536772.db2.gz QLXBXMSESZBJJS-RYUDHWBXSA-N 0 0 299.399 4.210 10 0 CIAERN Cc1cc([C@H](CO)Nc2cccc(Cl)c2)c(C)s1 ZINC000049688033 525537009 /nfs/dbraw/zinc/53/70/09/525537009.db2.gz BOOCFHFYORQNOG-AWEZNQCLSA-N 0 0 281.808 4.164 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1nccs1 ZINC000070732336 525606980 /nfs/dbraw/zinc/60/69/80/525606980.db2.gz BMHFGLSPWQIWCD-JGVFFNPUSA-N 0 0 272.826 4.270 10 0 CIAERN C[C@H](Nc1ccc(N)cc1Cl)c1cccc(F)c1 ZINC000049529023 525655462 /nfs/dbraw/zinc/65/54/62/525655462.db2.gz LEMOOLABXWCJSR-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc(SCc2csc(C(C)C)n2)c(N)c1 ZINC000049277050 525663678 /nfs/dbraw/zinc/66/36/78/525663678.db2.gz HQQDQGKRXUVIJE-UHFFFAOYSA-N 0 0 278.446 4.449 10 0 CIAERN Cc1ccc(SCc2nc(N)ccc2Cl)cc1C ZINC000061640649 525663949 /nfs/dbraw/zinc/66/39/49/525663949.db2.gz QYDWLOZTOPDVGO-UHFFFAOYSA-N 0 0 278.808 4.226 10 0 CIAERN C[C@H](Nc1cccc(Cl)c1C(N)=S)C1CCCCC1 ZINC000052908078 525668536 /nfs/dbraw/zinc/66/85/36/525668536.db2.gz CIIPPOXJEVBGSD-JTQLQIEISA-N 0 0 296.867 4.355 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cn1)c1ccc(F)cc1 ZINC000049509391 525705287 /nfs/dbraw/zinc/70/52/87/525705287.db2.gz HRDNXCHWQWOVBQ-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN C[C@@H](Nc1cccc(F)n1)c1cccc(Br)c1 ZINC000042417109 525717247 /nfs/dbraw/zinc/71/72/47/525717247.db2.gz HKCCTJFNPMWYOZ-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN C[C@@H](Nc1cncc(Cl)n1)c1ccc(Cl)s1 ZINC000042291514 525723203 /nfs/dbraw/zinc/72/32/03/525723203.db2.gz SMCRFXYZCLLFLQ-ZCFIWIBFSA-N 0 0 274.176 4.018 10 0 CIAERN Cc1ccc([C@@H](N)c2oc3ccc(Cl)cc3c2C)o1 ZINC000050211286 525768741 /nfs/dbraw/zinc/76/87/41/525768741.db2.gz DHPHLKGUOIFOKU-CQSZACIVSA-N 0 0 275.735 4.344 10 0 CIAERN C[C@@](O)(c1ccccc1)c1cccc(Cl)c1Cl ZINC000055190447 525781578 /nfs/dbraw/zinc/78/15/78/525781578.db2.gz NTPQVIAEWKNBRE-CQSZACIVSA-N 0 0 267.155 4.249 10 0 CIAERN Cc1ccc([C@@H](O)c2cc3ccccc3o2)cc1C ZINC000062797452 525783396 /nfs/dbraw/zinc/78/33/96/525783396.db2.gz AMWZPCZXCXMWOA-QGZVFWFLSA-N 0 0 252.313 4.131 10 0 CIAERN C[C@@H](O)c1ccc(F)cc1OCc1cccc(Cl)c1 ZINC000062749301 525868527 /nfs/dbraw/zinc/86/85/27/525868527.db2.gz IRRIWIYXVDQWCA-SNVBAGLBSA-N 0 0 280.726 4.111 10 0 CIAERN Cc1ccc(-c2noc(N)c2-c2cccs2)cc1F ZINC000052902113 525881711 /nfs/dbraw/zinc/88/17/11/525881711.db2.gz IXMLQDYWNLWAKR-UHFFFAOYSA-N 0 0 274.320 4.100 10 0 CIAERN C[C@@H](OCc1cccs1)C(=O)c1ccc(Cl)cc1 ZINC000050161821 525913870 /nfs/dbraw/zinc/91/38/70/525913870.db2.gz VXYUGPKCXKNRJO-SNVBAGLBSA-N 0 0 280.776 4.190 10 0 CIAERN CSc1ccc(/C=C(\c2ccccc2)[N+](=O)[O-])cc1 ZINC000054684787 525949763 /nfs/dbraw/zinc/94/97/63/525949763.db2.gz YWYQZQDHNJRBFV-RVDMUPIBSA-N 0 0 271.341 4.183 10 0 CIAERN Cc1ccc([C@H]2CNc3cccc(Cl)c3O2)cc1 ZINC000062538633 526027611 /nfs/dbraw/zinc/02/76/11/526027611.db2.gz GMKUGSTUGSNPGO-CQSZACIVSA-N 0 0 259.736 4.194 10 0 CIAERN C[C@@H](c1cccs1)N(C)c1cccc(Cl)c1CO ZINC000049727729 526147099 /nfs/dbraw/zinc/14/70/99/526147099.db2.gz QWJXCYFPDUXENF-JTQLQIEISA-N 0 0 281.808 4.091 10 0 CIAERN Cc1ccc2c(c1)NC[C@H](c1ccc(Cl)cc1)O2 ZINC000062538589 526172184 /nfs/dbraw/zinc/17/21/84/526172184.db2.gz ILEICCOYICGWAD-OAHLLOKOSA-N 0 0 259.736 4.194 10 0 CIAERN Cc1ccc2c(c1)[nH]c(=S)n2C(C1CC1)C1CC1 ZINC000049236280 526214970 /nfs/dbraw/zinc/21/49/70/526214970.db2.gz MQYUSXKCHFNPMV-UHFFFAOYSA-N 0 0 258.390 4.368 10 0 CIAERN O[C@H](Cc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000049346750 526294927 /nfs/dbraw/zinc/29/49/27/526294927.db2.gz SHKPGZLSTGXCOZ-CQSZACIVSA-N 0 0 285.145 4.409 10 0 CIAERN O[C@H](c1ccc(Cl)s1)C1(c2ccccc2)CC1 ZINC000061618468 526299344 /nfs/dbraw/zinc/29/93/44/526299344.db2.gz OVCNWHOZGRVCGT-CYBMUJFWSA-N 0 0 264.777 4.167 10 0 CIAERN O[C@H]1CCCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055230243 526302156 /nfs/dbraw/zinc/30/21/56/526302156.db2.gz OCMPXKVMUKMXCH-GWCFXTLKSA-N 0 0 259.176 4.402 10 0 CIAERN O=C(CC1CCC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151704580 526350889 /nfs/dbraw/zinc/35/08/89/526350889.db2.gz PVTAPHWZNYFHTJ-INIZCTEOSA-N 0 0 299.414 4.129 10 0 CIAERN Fc1ccc([C@H]2CNc3cc(Cl)ccc3O2)cc1 ZINC000062540057 526367648 /nfs/dbraw/zinc/36/76/48/526367648.db2.gz MWGRLCAPNCCSIY-CQSZACIVSA-N 0 0 263.699 4.025 10 0 CIAERN Fc1cccc(-c2nc3sccc3c(Cl)n2)c1 ZINC000050790822 526381849 /nfs/dbraw/zinc/38/18/49/526381849.db2.gz ZSFBUPWNDFGQOR-UHFFFAOYSA-N 0 0 264.712 4.151 10 0 CIAERN Fc1cccc2c1[nH]c(=S)n2CCc1ccsc1 ZINC000049184851 526403706 /nfs/dbraw/zinc/40/37/06/526403706.db2.gz ZKHJPGHLRFAADG-UHFFFAOYSA-N 0 0 278.377 4.142 10 0 CIAERN Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000154168155 526582396 /nfs/dbraw/zinc/58/23/96/526582396.db2.gz ZKSFJVQBSSDQNA-UONOGXRCSA-N 0 0 288.391 4.015 10 0 CIAERN O=C(c1cccc(OC(F)(F)F)c1)C1CCCCC1 ZINC000061703298 526773294 /nfs/dbraw/zinc/77/32/94/526773294.db2.gz FGGRVBSAPQMTQZ-UHFFFAOYSA-N 0 0 272.266 4.348 10 0 CIAERN NC(=S)c1ccc(Cl)cc1Oc1ccccc1Cl ZINC000062788662 527118464 /nfs/dbraw/zinc/11/84/64/527118464.db2.gz HPUMQZFFPTZOAA-UHFFFAOYSA-N 0 0 298.194 4.420 10 0 CIAERN NC(=S)c1ccc(Oc2cccc(F)c2F)c(Cl)c1 ZINC000062796476 527120789 /nfs/dbraw/zinc/12/07/89/527120789.db2.gz GALXXBKHYPEKOZ-UHFFFAOYSA-N 0 0 299.729 4.045 10 0 CIAERN O=C(Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC000049598160 527225634 /nfs/dbraw/zinc/22/56/34/527225634.db2.gz REEOFFXQZAYPNH-UHFFFAOYSA-N 0 0 293.135 4.014 10 0 CIAERN Cn1cccc1CNc1ccc(C(F)(F)F)cc1Cl ZINC000049537661 527400640 /nfs/dbraw/zinc/40/06/40/527400640.db2.gz FAALULILTKDBFW-UHFFFAOYSA-N 0 0 288.700 4.309 10 0 CIAERN Nc1n[nH]c(-c2c(F)cccc2Cl)c1-c1cccs1 ZINC000052901449 527421980 /nfs/dbraw/zinc/42/19/80/527421980.db2.gz GUNUQCAKUAAJSG-UHFFFAOYSA-N 0 0 293.754 4.180 10 0 CIAERN Nc1ccc(F)c(F)c1Nc1cc(Cl)ccc1F ZINC000053164941 527488196 /nfs/dbraw/zinc/48/81/96/527488196.db2.gz FZZYLCCBHFXDLS-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN Nc1cccc(-c2nc3cc(C(F)(F)F)ccc3o2)c1 ZINC000062557164 527512478 /nfs/dbraw/zinc/51/24/78/527512478.db2.gz BLNKVJVBDYAIQD-UHFFFAOYSA-N 0 0 278.233 4.096 10 0 CIAERN O[C@@H](Cc1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000062607629 527664092 /nfs/dbraw/zinc/66/40/92/527664092.db2.gz CNFMUYAHKFVLAQ-AWEZNQCLSA-N 0 0 286.680 4.033 10 0 CIAERN O[C@@H](c1ccc(Cl)cc1F)C1=CCCCCC1 ZINC000050329584 527666192 /nfs/dbraw/zinc/66/61/92/527666192.db2.gz CZLFHCWAKYODFX-CQSZACIVSA-N 0 0 254.732 4.403 10 0 CIAERN O[C@H](CCC1CCCCC1)Cc1cccc(F)c1 ZINC000062141391 527683278 /nfs/dbraw/zinc/68/32/78/527683278.db2.gz DLAGLMLVCVTSOI-MRXNPFEDSA-N 0 0 250.357 4.090 10 0 CIAERN FC(F)(F)c1ccccc1-c1csc(NC2CC2)n1 ZINC000061714538 527686186 /nfs/dbraw/zinc/68/61/86/527686186.db2.gz JDQBTRVWUPEINT-UHFFFAOYSA-N 0 0 284.306 4.403 10 0 CIAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(SC(F)F)cc1 ZINC000087407446 527697767 /nfs/dbraw/zinc/69/77/67/527697767.db2.gz IWUIGMBIZBNEKD-SECBINFHSA-N 0 0 297.374 4.216 10 0 CIAERN CC[C@H]1CNc2ccc(F)cc2N1Cc1ccccc1 ZINC000076972440 536169929 /nfs/dbraw/zinc/16/99/29/536169929.db2.gz HYIFVKUGULDNOP-HNNXBMFYSA-N 0 0 270.351 4.036 10 0 CIAERN Cc1cc(C(C)C)nc2ccc(Br)cc12 ZINC000667393947 566932993 /nfs/dbraw/zinc/93/29/93/566932993.db2.gz BSBXAEAFPNEYPF-UHFFFAOYSA-N 0 0 264.166 4.429 10 0 CIAERN FC(F)(F)CNc1cc(Cl)cc(Br)c1 ZINC000307399689 570239818 /nfs/dbraw/zinc/23/98/18/570239818.db2.gz AFLICEDWVQDDPZ-UHFFFAOYSA-N 0 0 288.494 4.077 10 0 CIAERN CC(=O)c1c2ccccc2oc1-c1ccc(O)cc1 ZINC000001736196 560184621 /nfs/dbraw/zinc/18/46/21/560184621.db2.gz CUTLWGKWIWWQBH-UHFFFAOYSA-N 0 0 252.269 4.008 10 0 in-vitro CIAERN Cc1c(C)c(C2CC2)nc2cc(Br)ccc12 ZINC000667395535 566933047 /nfs/dbraw/zinc/93/30/47/566933047.db2.gz WLBPAZUONKHGHR-UHFFFAOYSA-N 0 0 276.177 4.492 10 0 CIAERN Cc1c(C)c(C2CC2)nc2ccc(Br)cc12 ZINC000667394017 566933942 /nfs/dbraw/zinc/93/39/42/566933942.db2.gz OJBGVEYPBQNNSF-UHFFFAOYSA-N 0 0 276.177 4.492 10 0 CIAERN Cc1c(Br)cccc1-c1ccc(F)c(N)c1F ZINC000675056855 567021953 /nfs/dbraw/zinc/02/19/53/567021953.db2.gz QYZPZTCFQHXVAY-UHFFFAOYSA-N 0 0 298.130 4.285 10 0 CIAERN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(C)c(N)c1 ZINC000226265245 567039131 /nfs/dbraw/zinc/03/91/31/567039131.db2.gz WQEAPELQJBMMJN-GFCCVEGCSA-N 0 0 282.387 4.343 10 0 CIAERN CNc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000226270242 567039275 /nfs/dbraw/zinc/03/92/75/567039275.db2.gz WKOIJFFYAXKVMN-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN CC[C@@H](C)c1ccccc1NC(=O)c1cccc(N)c1 ZINC000226265202 567039383 /nfs/dbraw/zinc/03/93/83/567039383.db2.gz BLYIHRBPSFKUSW-GFCCVEGCSA-N 0 0 268.360 4.035 10 0 CIAERN CCc1ccc2oc(-c3ccc(NC)cc3)nc2c1 ZINC000226281098 567040694 /nfs/dbraw/zinc/04/06/94/567040694.db2.gz GPKSDBJAJQRFNG-UHFFFAOYSA-N 0 0 252.317 4.099 10 0 CIAERN CNc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000226285797 567041304 /nfs/dbraw/zinc/04/13/04/567041304.db2.gz RZPJWCLWBNLAHP-UHFFFAOYSA-N 0 0 280.327 4.035 10 0 CIAERN Clc1ccc(-c2nc3cnccc3o2)cc1Cl ZINC000226281491 567041359 /nfs/dbraw/zinc/04/13/59/567041359.db2.gz YBJNVBUUVBDDKN-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN Cc1cc(-n2cccc2)ccc1N1CCC(C)CC1 ZINC000226275953 567041396 /nfs/dbraw/zinc/04/13/96/567041396.db2.gz IIBZTTGWFCGIIC-UHFFFAOYSA-N 0 0 254.377 4.022 10 0 CIAERN c1ccn(-c2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000226281038 567041462 /nfs/dbraw/zinc/04/14/62/567041462.db2.gz QFMTUENYCJOJRU-UHFFFAOYSA-N 0 0 260.296 4.286 10 0 CIAERN Clc1ccc2c(Cl)ncc(Br)c2c1 ZINC000096856503 567041588 /nfs/dbraw/zinc/04/15/88/567041588.db2.gz ZEMZJQUVBIRRSI-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN c1csc([C@H]2CCCCN2c2nc3ccccc3o2)n1 ZINC000299682307 567146629 /nfs/dbraw/zinc/14/66/29/567146629.db2.gz RDFFTHHFMJJYRH-GFCCVEGCSA-N 0 0 285.372 4.016 10 0 CIAERN O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000616578712 567212919 /nfs/dbraw/zinc/21/29/19/567212919.db2.gz POVHYVSAXMFQGP-UHFFFAOYSA-N 0 0 273.641 4.126 10 0 CIAERN CCc1ccc2oc(-c3cccc(OC)c3)nc2c1 ZINC000062536652 567219545 /nfs/dbraw/zinc/21/95/45/567219545.db2.gz PJSQQEBGYSHHJE-UHFFFAOYSA-N 0 0 253.301 4.066 10 0 CIAERN CC(C)Cc1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000406086488 567892885 /nfs/dbraw/zinc/89/28/85/567892885.db2.gz CNKURJDZUSCIGV-ZHACJKMWSA-N 0 0 260.377 4.240 10 0 CIAERN COc1ccc(-c2nc3c(cc(C)cc3C)s2)cc1N ZINC000073635444 567893150 /nfs/dbraw/zinc/89/31/50/567893150.db2.gz PJYWQOFPHORXGV-UHFFFAOYSA-N 0 0 284.384 4.171 10 0 CIAERN Cc1cccc2nc(Cc3ccc(Cl)cc3)oc21 ZINC000073638708 567893478 /nfs/dbraw/zinc/89/34/78/567893478.db2.gz SVLRKDWSIPNDCI-UHFFFAOYSA-N 0 0 257.720 4.380 10 0 CIAERN CC(C)(C)c1ccc(-c2nc3ncccc3o2)cc1 ZINC000073638989 567893535 /nfs/dbraw/zinc/89/35/35/567893535.db2.gz LVECYUSZALPZEA-UHFFFAOYSA-N 0 0 252.317 4.187 10 0 CIAERN CCc1cc(N)cc2nc(Cc3ccc(Cl)cc3)oc21 ZINC000073642637 567893557 /nfs/dbraw/zinc/89/35/57/567893557.db2.gz CWXAPCIMAMEPMQ-UHFFFAOYSA-N 0 0 286.762 4.217 10 0 CIAERN Clc1cc2nc(-c3ccncc3)oc2c(Cl)c1 ZINC000073638680 567893576 /nfs/dbraw/zinc/89/35/76/567893576.db2.gz VYQVDTZTRGJBDE-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN Cc1nc(N)sc1-c1cccc(Cl)c1Cl ZINC000058003680 567895457 /nfs/dbraw/zinc/89/54/57/567895457.db2.gz DUOJTOKVXULZIP-UHFFFAOYSA-N 0 0 259.161 4.008 10 0 CIAERN C[Si](C)(C)CCSCc1cnc(Cl)s1 ZINC000725245413 567908313 /nfs/dbraw/zinc/90/83/13/567908313.db2.gz HTFAJGDSTJJHDF-UHFFFAOYSA-N 0 0 265.907 4.368 10 0 CIAERN CC[C@@H](C)Cc1nc2cc(C3CCC3)cc(Cl)n2n1 ZINC000725245473 567908343 /nfs/dbraw/zinc/90/83/43/567908343.db2.gz JAXAJVLCNBNGFM-SNVBAGLBSA-N 0 0 277.799 4.239 10 0 CIAERN CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253889 567911556 /nfs/dbraw/zinc/91/15/56/567911556.db2.gz PJCMJOMGAJKWLU-CHWSQXEVSA-N 0 0 275.392 4.096 10 0 CIAERN CC[C@H]1C[C@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253890 567911667 /nfs/dbraw/zinc/91/16/67/567911667.db2.gz PJCMJOMGAJKWLU-OLZOCXBDSA-N 0 0 275.392 4.096 10 0 CIAERN CCC(C)(C)[C@@H]1CCC(=O)[C@@H](C(F)(F)F)CC1 ZINC000725256033 567915355 /nfs/dbraw/zinc/91/53/55/567915355.db2.gz PKHCMELMISHOJE-UWVGGRQHSA-N 0 0 250.304 4.360 10 0 CIAERN COC(=O)c1cc(Cl)nc2c1[C@H](C)CC[C@@H]2C(C)C ZINC000725260607 567917264 /nfs/dbraw/zinc/91/72/64/567917264.db2.gz UKMZBMMLGITLSM-NXEZZACHSA-N 0 0 281.783 4.159 10 0 CIAERN COC(=O)c1cc(Cl)nc2c1[C@@H](C)CC[C@H]2C(C)C ZINC000725260611 567917351 /nfs/dbraw/zinc/91/73/51/567917351.db2.gz UKMZBMMLGITLSM-UWVGGRQHSA-N 0 0 281.783 4.159 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2cc(F)ccc2F)n1 ZINC000725269651 567924277 /nfs/dbraw/zinc/92/42/77/567924277.db2.gz BXQDEADYWFFWON-UHFFFAOYSA-N 0 0 272.245 4.347 10 0 CIAERN CCn1cc(C(F)F)c(-c2ccc(Cl)cc2F)n1 ZINC000725270454 567924681 /nfs/dbraw/zinc/92/46/81/567924681.db2.gz NKRHEPUILHMISJ-UHFFFAOYSA-N 0 0 274.673 4.300 10 0 CIAERN O=Cc1ccc(-c2cccc(Br)c2F)s1 ZINC000404895341 570238101 /nfs/dbraw/zinc/23/81/01/570238101.db2.gz YKQCPQCZSPGIFR-UHFFFAOYSA-N 0 0 285.137 4.129 10 0 CIAERN CC(C)NC(=O)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140117 570248293 /nfs/dbraw/zinc/24/82/93/570248293.db2.gz RXFIJJVLHBHEQW-UHFFFAOYSA-N 0 0 290.366 4.040 10 0 CIAERN CC(C)(C)OC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000725273791 570264000 /nfs/dbraw/zinc/26/40/00/570264000.db2.gz HDINOQWQLDYAJS-VAWYXSNFSA-N 0 0 288.387 4.363 10 0 CIAERN Cc1sc(-c2cn(C)nc2C(C)C)cc1Br ZINC000675070427 570366605 /nfs/dbraw/zinc/36/66/05/570366605.db2.gz YHAIZKBPYBZQBL-UHFFFAOYSA-N 0 0 299.237 4.343 10 0 CIAERN CCc1cc(C)nc2cc(Br)c(C)cc12 ZINC000669372009 570350614 /nfs/dbraw/zinc/35/06/14/570350614.db2.gz GVPMLEDRKJVUQV-UHFFFAOYSA-N 0 0 264.166 4.177 10 0 CIAERN C[C@H](c1ccccc1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000669372053 570350693 /nfs/dbraw/zinc/35/06/93/570350693.db2.gz HHSRBYJOZPIODD-GRGSLBFTSA-N 0 0 291.394 4.010 10 0 CIAERN N=C1c2ccccc2CN1c1ccc(SC(F)F)cc1 ZINC000003210538 570362523 /nfs/dbraw/zinc/36/25/23/570362523.db2.gz GUANIJAENQBXNC-UHFFFAOYSA-N 0 0 290.338 4.347 10 0 CIAERN Cc1ccc(Cl)cc1-c1ccc(F)c(N)c1F ZINC000675056496 570364456 /nfs/dbraw/zinc/36/44/56/570364456.db2.gz KVVUSOASZNVBBC-UHFFFAOYSA-N 0 0 253.679 4.176 10 0 CIAERN C[C@@H]1C[C@@H](C)CC(O)(c2ccc(Br)cc2)C1 ZINC000675059334 570365407 /nfs/dbraw/zinc/36/54/07/570365407.db2.gz OJHBKJNGALVWPH-GHMZBOCLSA-N 0 0 283.209 4.093 10 0 CIAERN Cc1cc(-c2nc(Br)cs2)c(C)cc1C=O ZINC000675073167 570366929 /nfs/dbraw/zinc/36/69/29/570366929.db2.gz TXQLIFPTRWMHQP-UHFFFAOYSA-N 0 0 296.189 4.002 10 0 CIAERN O=C(/C=C\c1c(F)cccc1Cl)Nc1ccccc1 ZINC000096508043 230385558 /nfs/dbraw/zinc/38/55/58/230385558.db2.gz OHRCPFGMVSFLQZ-KTKRTIGZSA-N 0 0 275.710 4.131 10 0 CIAERN CCn1c2ccccc2nc1Nc1ccc(Cl)cc1 ZINC000000513588 230366447 /nfs/dbraw/zinc/36/64/47/230366447.db2.gz CVBUJWDPHCTBLA-UHFFFAOYSA-N 0 0 271.751 4.453 10 0 CIAERN COc1cccc2nc(-c3cccs3)nc(Cl)c21 ZINC000095630412 185016982 /nfs/dbraw/zinc/01/69/82/185016982.db2.gz OZHCILQBTWUTGL-UHFFFAOYSA-N 0 0 276.748 4.020 10 0 CIAERN COc1c(C)cc(-c2nc3cnc(Cl)cc3o2)cc1C ZINC000095643113 185017380 /nfs/dbraw/zinc/01/73/80/185017380.db2.gz LPHYYJOBQUINSS-UHFFFAOYSA-N 0 0 288.734 4.169 10 0 CIAERN CC(=S)Nc1ccccc1OCc1ccccc1 ZINC000095643208 185017438 /nfs/dbraw/zinc/01/74/38/185017438.db2.gz SCGDPANUQGHGTM-UHFFFAOYSA-N 0 0 257.358 4.025 10 0 CIAERN Oc1cccc(CC2CCCCC2)c1Br ZINC000095719876 185018761 /nfs/dbraw/zinc/01/87/61/185018761.db2.gz RMAKRAWFOKNMCV-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN CC(C)c1cc(Br)ccc1OC1CC1 ZINC000095721094 185019619 /nfs/dbraw/zinc/01/96/19/185019619.db2.gz MOJCVADEOGSBSI-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN CC(C)(C)Oc1ccc(Br)c(OC2CC2)c1 ZINC000095724101 185020679 /nfs/dbraw/zinc/02/06/79/185020679.db2.gz CRLVYIBVOHQXSM-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)c1cc(OC2CC2)ccc1Br ZINC000095724218 185020792 /nfs/dbraw/zinc/02/07/92/185020792.db2.gz ZLJGHGASTNAMIJ-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN Cc1cc(-c2n[nH]c(=S)n2C(C)C)c2ccccc2n1 ZINC000082470945 178043978 /nfs/dbraw/zinc/04/39/78/178043978.db2.gz IKYGHMZANGZFOV-UHFFFAOYSA-N 0 0 284.388 4.045 10 0 CIAERN CC(C)(C)c1cc(Br)cc(OC2CC2)c1 ZINC000095741999 185024650 /nfs/dbraw/zinc/02/46/50/185024650.db2.gz WMJOLBZRWCLNJL-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501719 178065927 /nfs/dbraw/zinc/06/59/27/178065927.db2.gz KAMNQXLSCHJYQC-JGVFFNPUSA-N 0 0 293.720 4.139 10 0 CIAERN CC(C)c1nc(Cl)cc(NCCc2ccc(F)cc2)n1 ZINC000082509604 178076106 /nfs/dbraw/zinc/07/61/06/178076106.db2.gz QKRNREYWYMUYSK-UHFFFAOYSA-N 0 0 293.773 4.047 10 0 CIAERN CC(C)c1nc(Cl)cc(N[C@H]2CCCC[C@H]2C)n1 ZINC000082509568 178076140 /nfs/dbraw/zinc/07/61/40/178076140.db2.gz ALZFDRICAMMBEN-MNOVXSKESA-N 0 0 267.804 4.244 10 0 CIAERN CC(C)c1nc(Cl)cc(N[C@H](C)c2ccccc2)n1 ZINC000082509565 178076315 /nfs/dbraw/zinc/07/63/15/178076315.db2.gz WOCIVCQZPWXZPR-LLVKDONJSA-N 0 0 275.783 4.427 10 0 CIAERN CCCc1nc(Cl)cc(N[C@H]2CCCC[C@H]2C)n1 ZINC000082509765 178076803 /nfs/dbraw/zinc/07/68/03/178076803.db2.gz WLQBDFALTHDWNN-MNOVXSKESA-N 0 0 267.804 4.073 10 0 CIAERN FC(F)(F)c1ccc2cc(-c3ccccc3)[nH]c2n1 ZINC000095830897 185029369 /nfs/dbraw/zinc/02/93/69/185029369.db2.gz BZJDLKQWORAFOC-UHFFFAOYSA-N 0 0 262.234 4.249 10 0 CIAERN CC1(C)CCC(=O)c2[nH]c3ccc(Br)cc3c21 ZINC000095835696 185029708 /nfs/dbraw/zinc/02/97/08/185029708.db2.gz AVUQQRZASWKIBW-UHFFFAOYSA-N 0 0 292.176 4.185 10 0 CIAERN FC(F)(F)c1cc(Br)c2cccnc2c1 ZINC000095835577 185029712 /nfs/dbraw/zinc/02/97/12/185029712.db2.gz QZJNYPTZDZADOK-UHFFFAOYSA-N 0 0 276.055 4.016 10 0 CIAERN Clc1ccc(-c2nc3ccc(Cl)nc3o2)cc1 ZINC000095835592 185029926 /nfs/dbraw/zinc/02/99/26/185029926.db2.gz QSZYTQBEEQRNNU-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN Cc1cnc(N[C@H](C)c2ccccc2)c(Br)c1 ZINC000082586828 178123465 /nfs/dbraw/zinc/12/34/65/178123465.db2.gz QNXLHPBNYJHERI-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN Cc1cnc(N[C@@H](C)c2ccccc2)c(Br)c1 ZINC000082586827 178123473 /nfs/dbraw/zinc/12/34/73/178123473.db2.gz QNXLHPBNYJHERI-NSHDSACASA-N 0 0 291.192 4.326 10 0 CIAERN Clc1cc(Cl)c2cc(Br)sc2n1 ZINC000095930471 185032598 /nfs/dbraw/zinc/03/25/98/185032598.db2.gz RFAXZLZDEYCYAM-UHFFFAOYSA-N 0 0 282.977 4.366 10 0 CIAERN S=C(Oc1ccccc1Cl)c1cccnc1Cl ZINC000095931706 185032636 /nfs/dbraw/zinc/03/26/36/185032636.db2.gz CJDXLMZDVBYZND-UHFFFAOYSA-N 0 0 284.167 4.143 10 0 CIAERN CCc1ccc2c(c1)S[C@H]1C=C(CC)C=C[C@@H]1N2 ZINC000095930521 185033005 /nfs/dbraw/zinc/03/30/05/185033005.db2.gz CUVZXVBLBXHDHS-ZFWWWQNUSA-N 0 0 257.402 4.410 10 0 CIAERN CCOC(CCc1cccc(C(C)(C)C)c1)OCC ZINC000095934431 185033604 /nfs/dbraw/zinc/03/36/04/185033604.db2.gz WMKFNQGQSYLVOB-UHFFFAOYSA-N 0 0 264.409 4.316 10 0 CIAERN O=C(/C=C\c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000095938844 185034755 /nfs/dbraw/zinc/03/47/55/185034755.db2.gz OGJOMXQPBHQZSJ-FPLPWBNLSA-N 0 0 284.186 4.019 10 0 CIAERN COC[C@@H](Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000095940742 185036006 /nfs/dbraw/zinc/03/60/06/185036006.db2.gz CRRDAJUMDTYFBN-OAHLLOKOSA-N 0 0 299.267 4.043 10 0 CIAERN Brc1ccc(-c2ncc3ccccc3n2)cc1 ZINC000096028900 185067113 /nfs/dbraw/zinc/06/71/13/185067113.db2.gz VNAVDRAEEFUSOQ-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN CCC(=O)c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082709023 178218636 /nfs/dbraw/zinc/21/86/36/178218636.db2.gz KHMJINJYPSISKC-UHFFFAOYSA-N 0 0 261.324 4.495 10 0 CIAERN COc1ccc(CCNc2cc(Cl)ccc2OC)cc1 ZINC000082712272 178225140 /nfs/dbraw/zinc/22/51/40/178225140.db2.gz MZIGNJZNHQNNTD-UHFFFAOYSA-N 0 0 291.778 4.012 10 0 CIAERN Brc1ccc2[nH]c(Nc3ccccc3)nc2c1 ZINC000082740645 178263721 /nfs/dbraw/zinc/26/37/21/178263721.db2.gz KZLQVTKMRKYKRF-UHFFFAOYSA-N 0 0 288.148 4.069 10 0 CIAERN CC(C)c1ccc2ccnc(Br)c2c1 ZINC000082766529 178280616 /nfs/dbraw/zinc/28/06/16/178280616.db2.gz HPEFHTPJSCCRII-UHFFFAOYSA-N 0 0 250.139 4.121 10 0 CIAERN Fc1cc(Br)c2nc(Cl)cc(Cl)c2c1 ZINC000082788896 178294152 /nfs/dbraw/zinc/29/41/52/178294152.db2.gz NBCWJRRGEDCZCL-UHFFFAOYSA-N 0 0 294.938 4.443 10 0 CIAERN C[C@H](Nc1ccccc1Br)c1nccs1 ZINC000083142291 178341146 /nfs/dbraw/zinc/34/11/46/178341146.db2.gz AUKSQKBNGDQYKM-QMMMGPOBSA-N 0 0 283.194 4.079 10 0 CIAERN CC(=O)c1ccc(Cl)c(NCc2ccccc2)c1 ZINC000096840836 185116794 /nfs/dbraw/zinc/11/67/94/185116794.db2.gz IPAVWNYHUMUJLU-UHFFFAOYSA-N 0 0 259.736 4.155 10 0 CIAERN FC(F)(F)c1nc2ccc(Br)cc2s1 ZINC000096977761 185145237 /nfs/dbraw/zinc/14/52/37/185145237.db2.gz YQFBGJRCFCOOGJ-UHFFFAOYSA-N 0 0 282.084 4.078 10 0 CIAERN CC(C)c1c(Cl)ncnc1NC1CCC(C)CC1 ZINC000097030469 185154824 /nfs/dbraw/zinc/15/48/24/185154824.db2.gz YHYNLXSUTVQCAE-UHFFFAOYSA-N 0 0 267.804 4.244 10 0 CIAERN CC(C)c1ccccc1NCc1ccncc1Cl ZINC000083442675 178456580 /nfs/dbraw/zinc/45/65/80/178456580.db2.gz KIURIAQKGNFQLW-UHFFFAOYSA-N 0 0 260.768 4.471 10 0 CIAERN Cc1ccc(NCc2c(F)cccc2Cl)cc1O ZINC000083482760 178507643 /nfs/dbraw/zinc/50/76/43/178507643.db2.gz WFVUXUOWLOKIPJ-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN Cc1nc(Cl)ccc1NCc1ccccc1Cl ZINC000083493903 178518721 /nfs/dbraw/zinc/51/87/21/178518721.db2.gz IHBGHUNKOZDIOU-UHFFFAOYSA-N 0 0 267.159 4.309 10 0 CIAERN Cc1cc(-n2cccc2)ccc1N1CCCC[C@H]1C ZINC000226275896 136386798 /nfs/dbraw/zinc/38/67/98/136386798.db2.gz FEDBZAJLQUOGHQ-OAHLLOKOSA-N 0 0 254.377 4.165 10 0 CIAERN CCc1cc(N)cc(Cl)c1N1[C@@H](C)CCC[C@@H]1C ZINC000226315434 136387034 /nfs/dbraw/zinc/38/70/34/136387034.db2.gz AVDRIEHHYPZMRX-QWRGUYRKSA-N 0 0 266.816 4.252 10 0 CIAERN C[C@H]1CCC[C@H](C)N1c1c(Cl)cc(N)cc1Cl ZINC000226316415 136387086 /nfs/dbraw/zinc/38/70/86/136387086.db2.gz PZQFFPFNSLADLO-IUCAKERBSA-N 0 0 273.207 4.343 10 0 CIAERN Clc1ccc(-c2cccc(Br)n2)cc1 ZINC000084025112 178772810 /nfs/dbraw/zinc/77/28/10/178772810.db2.gz RVZYRMXTNVWERB-UHFFFAOYSA-N 0 0 268.541 4.165 10 0 CIAERN CSc1nnc(SCc2ccccc2Cl)s1 ZINC000097569202 185628543 /nfs/dbraw/zinc/62/85/43/185628543.db2.gz JGFSCDURYUSMFT-UHFFFAOYSA-N 0 0 288.850 4.206 10 0 CIAERN C/C=C1/CC[C@@H](c2cccc3ccccc32)C(=O)O1 ZINC000098087779 185685885 /nfs/dbraw/zinc/68/58/85/185685885.db2.gz NFGSPRGAJGNUSU-UGAGFWCUSA-N 0 0 252.313 4.164 10 0 CIAERN F/C(=C\Oc1ccc(Br)cc1)C(F)(F)F ZINC000098210822 185699915 /nfs/dbraw/zinc/69/99/15/185699915.db2.gz XHXYUOXTORUBHZ-YVMONPNESA-N 0 0 285.034 4.201 10 0 CIAERN C[C@@H]1C(=O)Oc2cc(C3CCCCC3)c(Cl)cc21 ZINC000100711260 185723191 /nfs/dbraw/zinc/72/31/91/185723191.db2.gz ICKWWGZRRMNBQD-VIFPVBQESA-N 0 0 264.752 4.410 10 0 CIAERN Nc1sc(-c2ccccc2)cc1-c1ccccn1 ZINC000103067551 185806462 /nfs/dbraw/zinc/80/64/62/185806462.db2.gz SBTCDWRMIPSDAZ-UHFFFAOYSA-N 0 0 252.342 4.059 10 0 CIAERN C[C@H](c1ccc(Cl)cc1)n1c(Cl)nnc1C(C)(C)C ZINC000103928189 185863000 /nfs/dbraw/zinc/86/30/00/185863000.db2.gz OCVFWGAFSZXBCQ-SECBINFHSA-N 0 0 298.217 4.492 10 0 CIAERN Cc1ccc(Cc2sc(N)nc2C(C)(C)C)c(C)c1 ZINC000103941464 185865564 /nfs/dbraw/zinc/86/55/64/185865564.db2.gz VPBVEGZUCBCLAX-UHFFFAOYSA-N 0 0 274.433 4.230 10 0 CIAERN C[C@@H](Nc1nc2ccc(N)cc2s1)C1CCCCC1 ZINC000103939087 185864586 /nfs/dbraw/zinc/86/45/86/185864586.db2.gz IAZTYXCMIAPVNC-SNVBAGLBSA-N 0 0 275.421 4.259 10 0 CIAERN Cc1ccc(C)c(C[C@@](C)(O)c2ccc(Cl)cc2)c1 ZINC000103939286 185864613 /nfs/dbraw/zinc/86/46/13/185864613.db2.gz COEOVCYCCMKOSV-QGZVFWFLSA-N 0 0 274.791 4.407 10 0 CIAERN Cc1cc(C)cc(C[C@@]2(O)C[C@@H](C)CC(C)(C)C2)c1 ZINC000103944422 185865593 /nfs/dbraw/zinc/86/55/93/185865593.db2.gz QQGVOOJEVPVTDW-YJBOKZPZSA-N 0 0 260.421 4.423 10 0 CIAERN Cc1cccc(C[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2O)c1 ZINC000103989520 185876059 /nfs/dbraw/zinc/87/60/59/185876059.db2.gz ZJPBOTPCBPNKCJ-BBWFWOEESA-N 0 0 260.421 4.361 10 0 CIAERN CNc1cc(C(C)(C)C)nc2c(F)c(Cl)ccc12 ZINC000103993731 185877333 /nfs/dbraw/zinc/87/73/33/185877333.db2.gz CEGCBMPKKIJBOZ-UHFFFAOYSA-N 0 0 266.747 4.367 10 0 CIAERN Cc1ccc(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2O)cc1C ZINC000103991274 185877342 /nfs/dbraw/zinc/87/73/42/185877342.db2.gz JPNMJVCEIUFSJG-BZSNNMDCSA-N 0 0 260.421 4.279 10 0 CIAERN CCOc1cc(N[C@@H](C)c2ccsc2)c(N)cc1F ZINC000104126551 185899791 /nfs/dbraw/zinc/89/97/91/185899791.db2.gz ITKVKEUCQNYRMU-VIFPVBQESA-N 0 0 280.368 4.041 10 0 CIAERN CCOC(=O)[C@H](Nc1cccc(Cl)c1)C(CC)CC ZINC000104173348 185916245 /nfs/dbraw/zinc/91/62/45/185916245.db2.gz WMVURWZSRQERBM-CQSZACIVSA-N 0 0 283.799 4.120 10 0 CIAERN CCCCN(c1ccc(C(C)=O)cc1F)[C@@H](C)CC ZINC000104183659 185918526 /nfs/dbraw/zinc/91/85/26/185918526.db2.gz KWSQDSOUAPZKHH-LBPRGKRZSA-N 0 0 265.372 4.433 10 0 CIAERN C[C@H]1CCCC[C@@H]1CNc1cc(Cl)ccc1C(N)=S ZINC000104185934 185919042 /nfs/dbraw/zinc/91/90/42/185919042.db2.gz FVKWFJKBDLMSME-WDEREUQCSA-N 0 0 296.867 4.212 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(N)cc2C(F)F)C1 ZINC000104210288 185932056 /nfs/dbraw/zinc/93/20/56/185932056.db2.gz XWJJPKNZHOJFIC-MWLCHTKSSA-N 0 0 254.324 4.197 10 0 CIAERN CCc1c(Cl)ncnc1NC(C)(C)CC(C)(C)C ZINC000104210673 185932296 /nfs/dbraw/zinc/93/22/96/185932296.db2.gz DRSYJROBZNFCMC-UHFFFAOYSA-N 0 0 269.820 4.319 10 0 CIAERN CCCc1c(Cl)ncnc1N[C@@H]1CCCC[C@@H]1CC ZINC000104219910 185934365 /nfs/dbraw/zinc/93/43/65/185934365.db2.gz GZGQFSGXSDHALM-WCQYABFASA-N 0 0 281.831 4.463 10 0 CIAERN CCOc1cc(N[C@H](C)CCCC(C)C)ccc1N ZINC000104237107 185939449 /nfs/dbraw/zinc/93/94/49/185939449.db2.gz UYNWBGKZBKJIRD-CYBMUJFWSA-N 0 0 264.413 4.294 10 0 CIAERN CCc1c(Cl)ncnc1O[C@H]1CCCC[C@H]1CC ZINC000104221236 185935591 /nfs/dbraw/zinc/93/55/91/185935591.db2.gz LJINZTHGXMYLCE-PWSUYJOCSA-N 0 0 268.788 4.040 10 0 CIAERN CCC1CCC(CNc2nc(C)nc(Cl)c2C)CC1 ZINC000104223062 185935647 /nfs/dbraw/zinc/93/56/47/185935647.db2.gz OOWVNXZNBMUQBJ-UHFFFAOYSA-N 0 0 281.831 4.375 10 0 CIAERN Cc1ccc(CNc2ccc(N)cc2C(F)F)s1 ZINC000104224635 185936222 /nfs/dbraw/zinc/93/62/22/185936222.db2.gz QZUPRCPSFNEREE-UHFFFAOYSA-N 0 0 268.332 4.188 10 0 CIAERN Cc1cc(C=O)ccc1Sc1nc2ccccc2o1 ZINC000104284366 185955239 /nfs/dbraw/zinc/95/52/39/185955239.db2.gz TYMZOPHVOUNIJO-UHFFFAOYSA-N 0 0 269.325 4.100 10 0 CIAERN c1cn(CCCOc2ccccc2)c2ccccc12 ZINC000104289533 185956439 /nfs/dbraw/zinc/95/64/39/185956439.db2.gz FPCMQMFZIZKBJE-UHFFFAOYSA-N 0 0 251.329 4.110 10 0 CIAERN CSc1ccc2c(ccn2C(=O)OC(C)(C)C)c1 ZINC000089208877 179754535 /nfs/dbraw/zinc/75/45/35/179754535.db2.gz KOGVPJWVKOEVRM-UHFFFAOYSA-N 0 0 263.362 4.146 10 0 CIAERN CC[C@@H]1CCCC[C@H]1[C@](C)(O)c1ccccc1F ZINC000104382912 185988292 /nfs/dbraw/zinc/98/82/92/185988292.db2.gz JYBUZJWENDQGPO-IOASZLSFSA-N 0 0 250.357 4.250 10 0 CIAERN Cc1c(C)c(Oc2ccc(F)c(Cl)c2)nnc1Cl ZINC000104409349 185990838 /nfs/dbraw/zinc/99/08/38/185990838.db2.gz AXNMYNLVMUPUGJ-UHFFFAOYSA-N 0 0 287.121 4.332 10 0 CIAERN COC1CC(C)(C)N(O[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000090516566 179996488 /nfs/dbraw/zinc/99/64/88/179996488.db2.gz GVEOVRNYYWAAGX-CQSZACIVSA-N 0 0 291.435 4.347 10 0 CIAERN CCC(CC)[C@@H](C)Nc1ccc(N)cc1C(F)F ZINC000104433100 186000870 /nfs/dbraw/zinc/00/08/70/186000870.db2.gz HCTWZOBLLSDSOS-SECBINFHSA-N 0 0 256.340 4.443 10 0 CIAERN C[C@H](C(=O)c1cc2ccccc2n1C)c1ccccc1 ZINC000090623765 180015153 /nfs/dbraw/zinc/01/51/53/180015153.db2.gz CFIUKGFDXSEWIH-ZDUSSCGKSA-N 0 0 263.340 4.165 10 0 CIAERN C/C=C\c1cc(-c2ccc(Br)cc2)no1 ZINC000090628892 180016457 /nfs/dbraw/zinc/01/64/57/180016457.db2.gz LTIGYKYTAHSIQK-IHWYPQMZSA-N 0 0 264.122 4.137 10 0 CIAERN CC(C)[C@H]1C=C(COCc2ccccc2)[C@H](C(C)C)O1 ZINC000090766643 180038024 /nfs/dbraw/zinc/03/80/24/180038024.db2.gz YKWOPOIFXAYLLO-MSOLQXFVSA-N 0 0 274.404 4.209 10 0 CIAERN FC(F)(F)c1ccc(COc2cc(Cl)ccn2)cc1 ZINC000091362091 180141793 /nfs/dbraw/zinc/14/17/93/180141793.db2.gz KJMDCTJZZJFMLU-UHFFFAOYSA-N 0 0 287.668 4.333 10 0 CIAERN C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000106260434 186105894 /nfs/dbraw/zinc/10/58/94/186105894.db2.gz UELADHVFNHCOIP-MJHDQNEOSA-N 0 0 255.764 4.147 10 0 CIAERN O[C@H](CC1CCCC1)C1(c2ccccc2)CCCC1 ZINC000110446449 186296392 /nfs/dbraw/zinc/29/63/92/186296392.db2.gz AMKCTJYKIXFENQ-QGZVFWFLSA-N 0 0 258.405 4.440 10 0 CIAERN Clc1cc(Cl)nc([C@H]2CCCc3ccccc32)n1 ZINC000111727035 186450545 /nfs/dbraw/zinc/45/05/45/186450545.db2.gz VAVXIKGKPQOPOJ-NSHDSACASA-N 0 0 279.170 4.252 10 0 CIAERN FC(F)c1ccc(C(F)(F)F)cc1Br ZINC000112731813 186526222 /nfs/dbraw/zinc/52/62/22/186526222.db2.gz OZLSLSLLSWHXBF-UHFFFAOYSA-N 0 0 275.014 4.406 10 0 CIAERN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1ccccc1)N2 ZINC000169434748 188661116 /nfs/dbraw/zinc/66/11/16/188661116.db2.gz UNMNWKGQNLOJGL-BMGDILEWSA-N 0 0 265.356 4.239 10 0 CIAERN Cc1cc(N)cc2nc(-c3cc(F)c(F)cc3Cl)oc21 ZINC000226248660 189770423 /nfs/dbraw/zinc/77/04/23/189770423.db2.gz BSBFCDUBLHQJCS-UHFFFAOYSA-N 0 0 294.688 4.317 10 0 CIAERN O[C@H](c1ccc(F)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000226296776 189771739 /nfs/dbraw/zinc/77/17/39/189771739.db2.gz JYAFSCYYGPIXBO-HXUWFJFHSA-N 0 0 290.337 4.479 10 0 CIAERN Nc1ccc2nc(-c3ccc4c5c(cccc53)CC4)oc2c1 ZINC000226296076 189772036 /nfs/dbraw/zinc/77/20/36/189772036.db2.gz ROKXJCPVOSYZBS-UHFFFAOYSA-N 0 0 286.334 4.329 10 0 CIAERN CCn1ccnc1CS[C@H](C)c1ccc(F)cc1F ZINC000175292693 261216550 /nfs/dbraw/zinc/21/65/50/261216550.db2.gz QQSWMWKMALRRPV-SNVBAGLBSA-N 0 0 282.359 4.176 10 0 CIAERN C[C@H](CNc1ccnc(Cl)c1)c1cccs1 ZINC000301633281 261339000 /nfs/dbraw/zinc/33/90/00/261339000.db2.gz KBJRHCRGLRJRER-SECBINFHSA-N 0 0 252.770 4.012 10 0 CIAERN CCCCCCc1ccc(C(=O)N2CCCC2)s1 ZINC000253495154 189993488 /nfs/dbraw/zinc/99/34/88/189993488.db2.gz ANTZEVOFHZFNHX-UHFFFAOYSA-N 0 0 265.422 4.107 10 0 CIAERN CC[C@@H]1C(=O)C[C@H](c2ccccc2)O[C@H]1c1ccccc1 ZINC000256009303 190001919 /nfs/dbraw/zinc/00/19/19/190001919.db2.gz WOHVPMIOSALYON-QRQLOZEOSA-N 0 0 280.367 4.485 10 0 CIAERN Clc1cc2ccnc(Cl)c2cc1Br ZINC000261508862 190040489 /nfs/dbraw/zinc/04/04/89/190040489.db2.gz XTZCFMBXFKICPE-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN CCC[C@H](c1ccncc1)n1ccc2ccccc21 ZINC000000015679 169506653 /nfs/dbraw/zinc/50/66/53/169506653.db2.gz QHMFRKMGCLKZRZ-MRXNPFEDSA-N 0 0 250.345 4.426 10 0 CIAERN CC(C)c1ccc2nc(NC(=O)C(C)(C)C)sc2c1 ZINC000004348588 184531513 /nfs/dbraw/zinc/53/15/13/184531513.db2.gz ZCTAROROKCNIRE-UHFFFAOYSA-N 0 0 276.405 4.404 10 0 CIAERN CCOC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000049851621 184564901 /nfs/dbraw/zinc/56/49/01/184564901.db2.gz TZSKDKBZSHFVSA-LURJTMIESA-N 0 0 296.581 4.010 10 0 CIAERN Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)ccc1Cl ZINC000000504958 169658045 /nfs/dbraw/zinc/65/80/45/169658045.db2.gz QJTROAUTDHIQKS-RUDMXATFSA-N 0 0 290.721 4.406 10 0 CIAERN COc1ccc(-c2nc3cc(Cl)ccc3s2)cc1N ZINC000111309920 533194697 /nfs/dbraw/zinc/19/46/97/533194697.db2.gz IFFWFBIYBLMZSL-UHFFFAOYSA-N 0 0 290.775 4.208 10 0 CIAERN Cc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1N ZINC000226293390 256785277 /nfs/dbraw/zinc/78/52/77/256785277.db2.gz FHRVVRDXVBXKBW-UHFFFAOYSA-N 0 0 287.362 4.475 10 0 CIAERN CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000094755526 184854208 /nfs/dbraw/zinc/85/42/08/184854208.db2.gz VLJBSNOHGZRLFM-UHFFFAOYSA-N 0 0 254.329 4.309 10 0 CIAERN Cc1cccc(OC(=O)c2ccc(C(C)C)cc2)c1 ZINC000001284209 169694204 /nfs/dbraw/zinc/69/42/04/169694204.db2.gz WTXDILDHMFYBLH-UHFFFAOYSA-N 0 0 254.329 4.338 10 0 CIAERN CC(C)N(Cc1ccccc1Br)C(F)(F)F ZINC000095088065 184939236 /nfs/dbraw/zinc/93/92/36/184939236.db2.gz NDDITGOETLOUKQ-UHFFFAOYSA-N 0 0 296.130 4.179 10 0 CIAERN Clc1ccc(-c2cnn(Cc3ccccc3)c2)cc1 ZINC000001504586 169710364 /nfs/dbraw/zinc/71/03/64/169710364.db2.gz HJLKZJXYRNTIIA-UHFFFAOYSA-N 0 0 268.747 4.252 10 0 CIAERN COc1ccc(-c2noc(C)c2-c2ccc(OC)cc2)cc1 ZINC000001514765 169710960 /nfs/dbraw/zinc/71/09/60/169710960.db2.gz CKKXCPZQKHHECC-UHFFFAOYSA-N 0 0 295.338 4.334 10 0 CIAERN CCCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)C1CC1 ZINC000171422974 335065583 /nfs/dbraw/zinc/06/55/83/335065583.db2.gz VBJLMKCASJXMNZ-VIFPVBQESA-N 0 0 286.828 4.047 10 0 CIAERN C=C1c2cc(OCC)ccc2NC(=O)N1c1ccc(F)cc1 ZINC000005634147 134658195 /nfs/dbraw/zinc/65/81/95/134658195.db2.gz VUTFRZAQOBWYKY-UHFFFAOYSA-N 0 0 298.317 4.247 10 0 CIAERN C[C@H]1CCc2ccccc2N1CC(=O)c1ccccc1Cl ZINC000035037151 134787459 /nfs/dbraw/zinc/78/74/59/134787459.db2.gz QFZJGKXAFWVGBH-ZDUSSCGKSA-N 0 0 299.801 4.364 10 0 CIAERN CCCCc1ccc(C(=O)c2ccccc2F)cc1 ZINC000001997855 169765993 /nfs/dbraw/zinc/76/59/93/169765993.db2.gz HBAUGXMMWXCUJD-UHFFFAOYSA-N 0 0 256.320 4.399 10 0 CIAERN c1c(C23CC4CC(CC(C4)C2)C3)nc2n1Cc1ccccc1-2 ZINC000004721215 170004843 /nfs/dbraw/zinc/00/48/43/170004843.db2.gz LEEXDIWKCKYKMV-UHFFFAOYSA-N 0 0 290.410 4.380 10 0 CIAERN C[C@@]1(c2ccc3ccccc3c2)OC(=O)c2ccccc21 ZINC000004886832 170036537 /nfs/dbraw/zinc/03/65/37/170036537.db2.gz JVUFRYOBPMEEPM-IBGZPJMESA-N 0 0 274.319 4.274 10 0 in-vitro CIAERN Cc1ccccc1CSc1ccc(-c2ccncc2)nn1 ZINC000005108132 170066855 /nfs/dbraw/zinc/06/68/55/170066855.db2.gz CFFYMJMYPMZHNP-UHFFFAOYSA-N 0 0 293.395 4.139 10 0 CIAERN CCn1cncc1-c1cccc(OCc2ccccc2)c1 ZINC000005115261 170067156 /nfs/dbraw/zinc/06/71/56/170067156.db2.gz WKWGFDWONXCGLQ-UHFFFAOYSA-N 0 0 278.355 4.149 10 0 CIAERN Clc1ccc(CNc2ccccc2Cn2ccnc2)cc1 ZINC000005117306 170067797 /nfs/dbraw/zinc/06/77/97/170067797.db2.gz XSEISCCZWTVSRP-UHFFFAOYSA-N 0 0 297.789 4.197 10 0 CIAERN CC(C)CNc1nc(-c2ccc(F)cc2)cs1 ZINC000005156785 170071857 /nfs/dbraw/zinc/07/18/57/170071857.db2.gz MXWZTKKMJYITIG-UHFFFAOYSA-N 0 0 250.342 4.017 10 0 CIAERN COc1cccc2c(Nc3ccccc3C)ccnc12 ZINC000005161345 170072232 /nfs/dbraw/zinc/07/22/32/170072232.db2.gz SWIYBRDDDUUPGB-UHFFFAOYSA-N 0 0 264.328 4.295 10 0 CIAERN CC(C)[C@@H](c1cc2ccccc2[nH]1)n1nnc2ccccc21 ZINC000005284916 170082873 /nfs/dbraw/zinc/08/28/73/170082873.db2.gz MKVBWJOAODGSSL-SFHVURJKSA-N 0 0 290.370 4.158 10 0 CIAERN CCN(CC)c1ccc(Cc2ccc(OC)cc2OC)cc1 ZINC000005311801 170085049 /nfs/dbraw/zinc/08/50/49/170085049.db2.gz FABUYNTWEOIODY-UHFFFAOYSA-N 0 0 299.414 4.141 10 0 CIAERN CCOc1cc(-c2ccc[nH]2)c(OCC)cc1-c1ccc[nH]1 ZINC000005336021 170087155 /nfs/dbraw/zinc/08/71/55/170087155.db2.gz DIASUDPOUWOYMN-UHFFFAOYSA-N 0 0 296.370 4.474 10 0 CIAERN Cc1cccnc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000005394636 170094556 /nfs/dbraw/zinc/09/45/56/170094556.db2.gz RIXKNCLZEDJVRJ-DHZHZOJOSA-N 0 0 280.371 4.165 10 0 CIAERN Cc1cccc(C(O)(c2ccccc2)c2ccccc2)c1 ZINC000005418429 170096669 /nfs/dbraw/zinc/09/66/69/170096669.db2.gz XTQYDVBLZSPARY-UHFFFAOYSA-N 0 0 274.363 4.279 10 0 CIAERN Nc1ccc(C2CCC(c3ccc(N)cc3)CC2)cc1 ZINC000005420740 170097120 /nfs/dbraw/zinc/09/71/20/170097120.db2.gz DJCVCYUEICJZBD-UHFFFAOYSA-N 0 0 266.388 4.292 10 0 CIAERN C[C@H](NC(=O)CC1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005444012 170099852 /nfs/dbraw/zinc/09/98/52/170099852.db2.gz LXEJVFTVLVKPJA-GOBPUOAWSA-N 0 0 289.463 4.288 10 0 CIAERN C[C@H](NC(=O)CCc1ccccc1)c1cccc(Cl)c1 ZINC000005550740 170112058 /nfs/dbraw/zinc/11/20/58/170112058.db2.gz LPHOSIIHUWLUNN-ZDUSSCGKSA-N 0 0 287.790 4.150 10 0 CIAERN COc1ccc(Nc2nnc(Cl)c3ccccc23)cc1 ZINC000005586840 170116203 /nfs/dbraw/zinc/11/62/03/170116203.db2.gz GWPLXCCQMZGMBV-UHFFFAOYSA-N 0 0 285.734 4.035 10 0 CIAERN CCCCN(CCCC)c1ncnc2ccccc21 ZINC000005596447 170117691 /nfs/dbraw/zinc/11/76/91/170117691.db2.gz VMIYZTNCJPJTNJ-UHFFFAOYSA-N 0 0 257.381 4.036 10 0 CIAERN CCCOC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000005597455 170117719 /nfs/dbraw/zinc/11/77/19/170117719.db2.gz UPBIXGZEVDGIIW-UHFFFAOYSA-N 0 0 276.361 4.077 10 0 CIAERN CCCCOC(=O)Nc1ccccc1OCCCC ZINC000005707862 170131921 /nfs/dbraw/zinc/13/19/21/170131921.db2.gz LXFIOXPZBLEKDJ-UHFFFAOYSA-N 0 0 265.353 4.214 10 0 CIAERN CC(C)c1ccc(/C=C\C(=O)NCCc2ccccc2)cc1 ZINC000005860211 170147964 /nfs/dbraw/zinc/14/79/64/170147964.db2.gz JXDRMFSUJQFIPO-RAXLEYEMSA-N 0 0 293.410 4.182 10 0 CIAERN CCc1cc(NCc2ccc3ccccc3c2)c(=O)[nH]c1C ZINC000005887229 170150299 /nfs/dbraw/zinc/15/02/99/170150299.db2.gz PYCFOMVUDZAQSS-UHFFFAOYSA-N 0 0 292.382 4.011 10 0 CIAERN CCC(C)(C)[C@H]1CCc2[nH]c3ccccc3c(=O)c2C1 ZINC000005916870 170155292 /nfs/dbraw/zinc/15/52/92/170155292.db2.gz OTQILCSJBWHZRO-LBPRGKRZSA-N 0 0 269.388 4.069 10 0 CIAERN Cc1ccc(NC2=NC(=O)SC2=Cc2ccco2)cc1 ZINC000005931978 170157369 /nfs/dbraw/zinc/15/73/69/170157369.db2.gz GWWMHBPEAPAKET-UKTHLTGXSA-N 0 0 284.340 4.306 10 0 CIAERN CC[C@]12CCCn3ccc(c31)-c1ccccc1NC(=O)CC2 ZINC000005955119 170162006 /nfs/dbraw/zinc/16/20/06/170162006.db2.gz VLQAFTDOIRUYSZ-LJQANCHMSA-N 0 0 294.398 4.329 10 0 endogenous,in-man CIAERN CCOc1cccc(-c2nnc(-c3ccccc3CC)[nH]2)c1 ZINC000005956801 170162119 /nfs/dbraw/zinc/16/21/19/170162119.db2.gz OQIXMBRLORCZDL-UHFFFAOYSA-N 0 0 293.370 4.100 10 0 CIAERN CCCCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000006041978 170170886 /nfs/dbraw/zinc/17/08/86/170170886.db2.gz IHDSSTLNZIBLSL-UHFFFAOYSA-N 0 0 291.391 4.162 10 0 CIAERN CCCCN(CCCC)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000006042601 170171229 /nfs/dbraw/zinc/17/12/29/170171229.db2.gz KJBDKWMWOLUKCU-DLBZAZTESA-N 0 0 273.420 4.219 10 0 CIAERN CCCC[C@H](CC)C(=O)N(CC(C)C)CC(C)C ZINC000006042955 170171336 /nfs/dbraw/zinc/17/13/36/170171336.db2.gz DZMMYWVVEPFSHJ-HNNXBMFYSA-N 0 0 255.446 4.343 10 0 CIAERN COc1c2occc2c(O)c(-c2ccccc2)c1C ZINC000006068792 170173743 /nfs/dbraw/zinc/17/37/43/170173743.db2.gz AIVZIYVRCAUFHS-UHFFFAOYSA-N 0 0 254.285 4.122 10 0 CIAERN O=C1C=Cc2c(-c3ccccc3)c(-c3ccccc3)cn21 ZINC000006116793 170177347 /nfs/dbraw/zinc/17/73/47/170177347.db2.gz CSXPFBLHYYSSCL-UHFFFAOYSA-N 0 0 271.319 4.489 10 0 CIAERN C[C@@H](SCc1ccccc1)C(=O)c1ccccc1 ZINC000006183461 170181194 /nfs/dbraw/zinc/18/11/94/170181194.db2.gz MTEYHXBWCDUMOT-CYBMUJFWSA-N 0 0 256.370 4.191 10 0 CIAERN C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000006249951 170185483 /nfs/dbraw/zinc/18/54/83/170185483.db2.gz KQRMMAZCOMWUBC-LXSSAFMLSA-N 0 0 298.213 4.408 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000006280940 170188142 /nfs/dbraw/zinc/18/81/42/170188142.db2.gz DNXZKCWZPIZLAT-NTCAYCPXSA-N 0 0 265.356 4.345 10 0 CIAERN CC(C)CCNC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006305783 170189694 /nfs/dbraw/zinc/18/96/94/170189694.db2.gz IBDDQZZZUJLTIV-CYVLTUHYSA-N 0 0 293.410 4.390 10 0 CIAERN CCOc1ccccc1NC(=O)/C(C)=C/c1ccccc1 ZINC000006390583 170197801 /nfs/dbraw/zinc/19/78/01/170197801.db2.gz BVRBDISWNAHAST-BUHFOSPRSA-N 0 0 281.355 4.127 10 0 CIAERN Cc1ccc2sc(NC(=O)C3CCCCC3)nc2c1C ZINC000006478513 170204471 /nfs/dbraw/zinc/20/44/71/170204471.db2.gz COHLJTYEQKYXIY-UHFFFAOYSA-N 0 0 288.416 4.432 10 0 CIAERN Cc1cccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)c1 ZINC000006478639 170204523 /nfs/dbraw/zinc/20/45/23/170204523.db2.gz WJQJNLQXJNQCGD-UHFFFAOYSA-N 0 0 296.395 4.474 10 0 CIAERN CC[C@H](C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006573919 170214825 /nfs/dbraw/zinc/21/48/25/170214825.db2.gz GSFHTUIWCKEEIT-LSVCFVEQSA-N 0 0 279.383 4.142 10 0 CIAERN c1coc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)c1 ZINC000006575405 170214901 /nfs/dbraw/zinc/21/49/01/170214901.db2.gz SDXIQGSOAFXCLC-OAHLLOKOSA-N 0 0 278.311 4.228 10 0 CIAERN COc1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 ZINC000006952509 170258843 /nfs/dbraw/zinc/25/88/43/170258843.db2.gz NBPWXLLZQHZEBB-UHFFFAOYSA-N 0 0 266.344 4.362 10 0 CIAERN Cc1ccc(NC(=O)[C@H](C)Nc2cc(C)ccc2C)cc1 ZINC000007041965 170263879 /nfs/dbraw/zinc/26/38/79/170263879.db2.gz RYFTYWWCHGKMSA-HNNXBMFYSA-N 0 0 282.387 4.051 10 0 CIAERN COc1ccc(SCC(=O)c2cc3ccccc3o2)cc1 ZINC000007294720 170276412 /nfs/dbraw/zinc/27/64/12/170276412.db2.gz CSRXUBJGQPMGQM-UHFFFAOYSA-N 0 0 298.363 4.416 10 0 CIAERN CC(C)(C)OC(=O)Nc1ccc(Cl)cc1Cl ZINC000007610484 170293751 /nfs/dbraw/zinc/29/37/51/170293751.db2.gz LQSGHNHSWZXSFN-UHFFFAOYSA-N 0 0 262.136 4.340 10 0 CIAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000007885438 170305912 /nfs/dbraw/zinc/30/59/12/170305912.db2.gz SVJYPUGLFISLKW-DYVFJYSZSA-N 0 0 280.371 4.052 10 0 CIAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1 ZINC000007885484 170305963 /nfs/dbraw/zinc/30/59/63/170305963.db2.gz BLCRQKGQAKORKH-PXAZEXFGSA-N 0 0 298.361 4.191 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1 ZINC000007885485 170305985 /nfs/dbraw/zinc/30/59/85/170305985.db2.gz BLCRQKGQAKORKH-SJCJKPOMSA-N 0 0 298.361 4.191 10 0 CIAERN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000007924497 170308096 /nfs/dbraw/zinc/30/80/96/170308096.db2.gz DYKKSEVKCODSBP-MRXNPFEDSA-N 0 0 289.325 4.092 10 0 CIAERN C[C@@H](Nc1ncnc2sccc21)c1ccc(F)cc1 ZINC000008063267 170316832 /nfs/dbraw/zinc/31/68/32/170316832.db2.gz OESXPPFFSZLOTI-SECBINFHSA-N 0 0 273.336 4.004 10 0 CIAERN C[C@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000008086099 170318618 /nfs/dbraw/zinc/31/86/18/170318618.db2.gz DYAQGDFEUXNFTK-ZDUSSCGKSA-N 0 0 287.790 4.150 10 0 CIAERN CC(=O)c1cccc(Nc2ncnc3sc(C)c(C)c32)c1 ZINC000008148268 170321430 /nfs/dbraw/zinc/32/14/30/170321430.db2.gz GNSGZMNWGOQARX-UHFFFAOYSA-N 0 0 297.383 4.254 10 0 CIAERN CC(C)CC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 ZINC000008188625 170323586 /nfs/dbraw/zinc/32/35/86/170323586.db2.gz HSMLHZCZBGJXAW-UHFFFAOYSA-N 0 0 294.354 4.479 10 0 CIAERN CCN(CC)c1nc2ccc(C)cc2c(-c2ccccc2)n1 ZINC000008226429 170325600 /nfs/dbraw/zinc/32/56/00/170325600.db2.gz LRYJIMSOMJADGN-UHFFFAOYSA-N 0 0 291.398 4.451 10 0 CIAERN CCN(C(=O)c1ccnc(C(C)(C)C)c1)c1cccc(C)c1 ZINC000008226615 170325731 /nfs/dbraw/zinc/32/57/31/170325731.db2.gz FJMGZXXQBAPDFC-UHFFFAOYSA-N 0 0 296.414 4.354 10 0 CIAERN Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)c(C)c1 ZINC000008549654 170339578 /nfs/dbraw/zinc/33/95/78/170339578.db2.gz CKLQIIJQSDAKSQ-UHFFFAOYSA-N 0 0 282.387 4.248 10 0 CIAERN Cc1ccc(-c2nnc(-c3ccccc3Cl)[nH]2)cc1 ZINC000008550628 170339918 /nfs/dbraw/zinc/33/99/18/170339918.db2.gz UJBORAVMXAQDBE-UHFFFAOYSA-N 0 0 269.735 4.101 10 0 CIAERN CC(C)CCOc1cccc(C(=O)NC2CCCCC2)c1 ZINC000008567812 170340543 /nfs/dbraw/zinc/34/05/43/170340543.db2.gz UIOFUAFPGHZNJZ-UHFFFAOYSA-N 0 0 289.419 4.174 10 0 CIAERN CC(C)(O)c1nc2ccccc2n1CCC1CCCCC1 ZINC000008785942 170355998 /nfs/dbraw/zinc/35/59/98/170355998.db2.gz COSKZJYKYLVTED-UHFFFAOYSA-N 0 0 286.419 4.234 10 0 CIAERN CCOc1cccc2cc(C(=O)N(C)c3ccccc3)oc21 ZINC000008960901 170359886 /nfs/dbraw/zinc/35/98/86/170359886.db2.gz JQPDHHGAOMRORL-UHFFFAOYSA-N 0 0 295.338 4.108 10 0 CIAERN CCCOc1ccccc1C(=O)Nc1cccc(OCC)c1 ZINC000009817029 170386187 /nfs/dbraw/zinc/38/61/87/170386187.db2.gz GSSKKZUJBQCDIX-UHFFFAOYSA-N 0 0 299.370 4.126 10 0 CIAERN OC[C@H](Cc1ccccc1Cl)c1cccc(Cl)c1 ZINC000011734683 170436737 /nfs/dbraw/zinc/43/67/37/170436737.db2.gz XZPVFUSTRWGWHI-ZDUSSCGKSA-N 0 0 281.182 4.312 10 0 CIAERN COc1ccc(Cl)c2c(Cl)c3c(nc12)CCC3 ZINC000011763856 170440080 /nfs/dbraw/zinc/44/00/80/170440080.db2.gz CJQSCZHGPSWMAF-UHFFFAOYSA-N 0 0 268.143 4.039 10 0 CIAERN COc1ccc(/C=C\c2cc(C)c(C)c(C)c2)cc1O ZINC000013607869 170568736 /nfs/dbraw/zinc/56/87/36/170568736.db2.gz RYPSSPOIYQFPDK-WAYWQWQTSA-N 0 0 268.356 4.496 10 0 CIAERN CCOc1ccc(/C=C\c2cc(OC)cc(OC)c2)cc1 ZINC000013607316 170568849 /nfs/dbraw/zinc/56/88/49/170568849.db2.gz KDXLDHCWXKUFFD-WAYWQWQTSA-N 0 0 284.355 4.273 10 0 CIAERN Cc1ccc(Cl)cc1NC(=S)N1CCCC[C@H]1C ZINC000013826468 170601323 /nfs/dbraw/zinc/60/13/23/170601323.db2.gz YOQBUASCPFFUGP-LLVKDONJSA-N 0 0 282.840 4.220 10 0 CIAERN Cc1cccc(NC(=S)N2c3ccccc3C[C@H]2C)c1C ZINC000013838995 170604110 /nfs/dbraw/zinc/60/41/10/170604110.db2.gz ARZFMRQCHWXVIZ-CYBMUJFWSA-N 0 0 296.439 4.451 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013953070 170612531 /nfs/dbraw/zinc/61/25/31/170612531.db2.gz LVQICQRYXCFQHA-BOWTUIMFSA-N 0 0 285.431 4.328 10 0 CIAERN Cc1cccc(OC(=O)c2ccccc2OC(C)C)c1C ZINC000014782948 170645309 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/nfs/dbraw/zinc/87/51/31/170875131.db2.gz IDPJCEXDAWFRMF-UHFFFAOYSA-N 0 0 299.439 4.332 10 0 CIAERN Nc1cccc(Cl)c1Oc1cccc(Br)c1 ZINC000019845737 170894084 /nfs/dbraw/zinc/89/40/84/170894084.db2.gz FIUUABFOTFKXAU-UHFFFAOYSA-N 0 0 298.567 4.477 10 0 CIAERN CCc1ccc(Oc2cccc(F)c2C(C)=O)cc1 ZINC000019871477 170901823 /nfs/dbraw/zinc/90/18/23/170901823.db2.gz IVKZLDOLGQEYLI-UHFFFAOYSA-N 0 0 258.292 4.383 10 0 CIAERN COc1cc(CNc2cccc3ccccc32)ccc1O ZINC000019900782 170913077 /nfs/dbraw/zinc/91/30/77/170913077.db2.gz IVNALIMNTNRLAZ-UHFFFAOYSA-N 0 0 279.339 4.166 10 0 CIAERN c1ccc(-c2ccccc2NCc2ccncc2)cc1 ZINC000019901702 170913671 /nfs/dbraw/zinc/91/36/71/170913671.db2.gz KSZXBLFSKIVZGN-UHFFFAOYSA-N 0 0 260.340 4.361 10 0 CIAERN C[C@H](Nc1cccc2cccnc21)c1cccs1 ZINC000019903675 170915521 /nfs/dbraw/zinc/91/55/21/170915521.db2.gz JWFKRALOZPBNJF-NSHDSACASA-N 0 0 254.358 4.469 10 0 CIAERN C[C@@H]1C[C@H]1c1ccc(CNc2ccc(F)c(F)c2F)o1 ZINC000019907571 170919556 /nfs/dbraw/zinc/91/95/56/170919556.db2.gz 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266.344 4.350 10 0 CIAERN C[C@H](Nc1ccc2[nH]ccc2c1)c1cccc(O)c1 ZINC000020132629 171020809 /nfs/dbraw/zinc/02/08/09/171020809.db2.gz JAQLSHOIOIIJHK-NSHDSACASA-N 0 0 252.317 4.047 10 0 CIAERN Clc1cccc(CNc2ccc3[nH]ccc3c2)c1 ZINC000020132725 171020917 /nfs/dbraw/zinc/02/09/17/171020917.db2.gz YEMKWSSVYASAIW-UHFFFAOYSA-N 0 0 256.736 4.433 10 0 CIAERN Cc1csc2nc(-c3ccc(Br)cc3)cn12 ZINC000020132947 171021127 /nfs/dbraw/zinc/02/11/27/171021127.db2.gz LBBUBQWNYHXSRS-UHFFFAOYSA-N 0 0 293.189 4.134 10 0 CIAERN Cc1nc([C@@H](C)N[C@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148089 171035748 /nfs/dbraw/zinc/03/57/48/171035748.db2.gz SNWGDSZBLZTDRW-NXEZZACHSA-N 0 0 278.396 4.311 10 0 CIAERN Oc1cccc(NCc2ccc(Cl)c(Cl)c2)c1 ZINC000020193059 171058905 /nfs/dbraw/zinc/05/89/05/171058905.db2.gz KLBVDPPAYXMSQE-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1nc2ccccc2s1 ZINC000020193842 171059462 /nfs/dbraw/zinc/05/94/62/171059462.db2.gz QQMVSBNCBNONQF-SNVBAGLBSA-N 0 0 270.357 4.175 10 0 CIAERN Clc1cccc(NCc2ccccn2)c1Cl ZINC000020245787 171099341 /nfs/dbraw/zinc/09/93/41/171099341.db2.gz DKOFHZXEEIGQGN-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2)c(Cl)c1 ZINC000020301030 171139147 /nfs/dbraw/zinc/13/91/47/171139147.db2.gz HUTGWABHIDIZSM-GFCCVEGCSA-N 0 0 288.778 4.088 10 0 CIAERN COc1cc(C=O)ccc1OCc1ccc(C(C)C)cc1 ZINC000020302710 171139322 /nfs/dbraw/zinc/13/93/22/171139322.db2.gz YYGFUMLGHHRQMC-UHFFFAOYSA-N 0 0 284.355 4.210 10 0 CIAERN Nc1cccnc1Nc1cc(C(F)(F)F)ccc1Cl ZINC000020317634 171147886 /nfs/dbraw/zinc/14/78/86/171147886.db2.gz YHINXFHASRPRJW-UHFFFAOYSA-N 0 0 287.672 4.080 10 0 CIAERN CCCCC1CCC(C(=O)Nc2ccc(F)cc2N)CC1 ZINC000020344683 171154109 /nfs/dbraw/zinc/15/41/09/171154109.db2.gz LQSHJDKQEZTNIE-UHFFFAOYSA-N 0 0 292.398 4.343 10 0 CIAERN C[C@H](Nc1c(F)cccc1F)c1ccc(F)cc1 ZINC000020358662 171157201 /nfs/dbraw/zinc/15/72/01/171157201.db2.gz QLXYFQNRDDOXNG-VIFPVBQESA-N 0 0 251.251 4.277 10 0 CIAERN COc1ccc(OC)c(CNc2ccc(F)cc2Cl)c1 ZINC000020361130 171159588 /nfs/dbraw/zinc/15/95/88/171159588.db2.gz IGWBUHXPVXXQDK-UHFFFAOYSA-N 0 0 295.741 4.108 10 0 CIAERN Cc1ccc(O)c(C(=O)Nc2cccc(C(C)C)c2)c1 ZINC000020362201 171160562 /nfs/dbraw/zinc/16/05/62/171160562.db2.gz ONUDQBRABRUPBD-UHFFFAOYSA-N 0 0 269.344 4.076 10 0 CIAERN Cc1c2ccccc2oc1C(=O)c1ccc(F)cc1F ZINC000020362323 171160654 /nfs/dbraw/zinc/16/06/54/171160654.db2.gz KTWDXIXDYFECPT-UHFFFAOYSA-N 0 0 272.250 4.250 10 0 CIAERN Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)c(O)c1 ZINC000020362197 171161089 /nfs/dbraw/zinc/16/10/89/171161089.db2.gz LDSNYTPIGWPTOZ-UHFFFAOYSA-N 0 0 269.344 4.076 10 0 CIAERN COc1ccc(C(=O)c2oc3ccccc3c2C)cc1F ZINC000020362327 171161101 /nfs/dbraw/zinc/16/11/01/171161101.db2.gz YEUOHRGBSJBPRV-UHFFFAOYSA-N 0 0 284.286 4.120 10 0 CIAERN Cc1cc(C)c(-c2nc(-c3ccc(O)cc3)no2)c(C)c1 ZINC000020362915 171161671 /nfs/dbraw/zinc/16/16/71/171161671.db2.gz ZVHNIOGGZHRTJL-UHFFFAOYSA-N 0 0 280.327 4.034 10 0 CIAERN C[C@H](Nc1ccc(N)cn1)c1ccc(Cl)cc1Cl ZINC000020381433 171172407 /nfs/dbraw/zinc/17/24/07/171172407.db2.gz FUKQYEQDEFXQMJ-QMMMGPOBSA-N 0 0 282.174 4.144 10 0 CIAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc(Cl)cc1N ZINC000020383545 171174316 /nfs/dbraw/zinc/17/43/16/171174316.db2.gz WGEUMWAOXQABNA-CWSCBRNRSA-N 0 0 252.789 4.159 10 0 CIAERN Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1 ZINC000020423952 171190974 /nfs/dbraw/zinc/19/09/74/171190974.db2.gz KTJKVZGTBFJQAW-UHFFFAOYSA-N 0 0 278.233 4.096 10 0 CIAERN O=C(Cc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000020427008 171192891 /nfs/dbraw/zinc/19/28/91/171192891.db2.gz MEEOCQDMTCUNSU-UHFFFAOYSA-N 0 0 287.771 4.375 10 0 CIAERN CCCCc1ccc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1 ZINC000020428310 171193701 /nfs/dbraw/zinc/19/37/01/171193701.db2.gz ZNFNAJSGSKAZSJ-UHFFFAOYSA-N 0 0 293.366 4.243 10 0 CIAERN C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1 ZINC000020429896 171195214 /nfs/dbraw/zinc/19/52/14/171195214.db2.gz QJYSRYQFXULHGP-SECBINFHSA-N 0 0 265.715 4.358 10 0 CIAERN CCc1cccc(Oc2cccc(Cl)c2CO)c1 ZINC000020435084 171200584 /nfs/dbraw/zinc/20/05/84/171200584.db2.gz JAZZANCGLNHCFY-UHFFFAOYSA-N 0 0 262.736 4.187 10 0 CIAERN CC[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1CO ZINC000020435192 171200966 /nfs/dbraw/zinc/20/09/66/171200966.db2.gz GQKDFKFPEUCOSI-FZMZJTMJSA-N 0 0 268.784 4.180 10 0 CIAERN OCc1ccccc1Oc1cccc2ccccc21 ZINC000020435414 171201426 /nfs/dbraw/zinc/20/14/26/171201426.db2.gz QKMBXUOJYVMFIM-UHFFFAOYSA-N 0 0 250.297 4.124 10 0 CIAERN CC(C)CNc1c(Cl)cccc1C(F)(F)F ZINC000020442933 171205745 /nfs/dbraw/zinc/20/57/45/171205745.db2.gz MIYTWJKKAHCJGG-UHFFFAOYSA-N 0 0 251.679 4.427 10 0 CIAERN C[C@@H](Nc1cccc(Cl)c1F)c1ccncc1 ZINC000020472365 171215006 /nfs/dbraw/zinc/21/50/06/171215006.db2.gz MTHZSTNWHPFHCN-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN Cc1ccsc1CNc1cccc(Cl)c1F ZINC000020472425 171215042 /nfs/dbraw/zinc/21/50/42/171215042.db2.gz VYRRYVUVDPVRBZ-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN C[C@H](Nc1cccc(Cl)c1F)c1cccc(O)c1 ZINC000020472274 171215265 /nfs/dbraw/zinc/21/52/65/171215265.db2.gz CAEKACNRQYIDSR-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(N)cc1F ZINC000020474931 171219085 /nfs/dbraw/zinc/21/90/85/171219085.db2.gz ZIZKOURTTXOCMG-KFNAQCHYSA-N 0 0 265.372 4.248 10 0 CIAERN C[C@@H]1C[C@@H](Oc2ccc(N)cc2F)CC(C)(C)C1 ZINC000020506895 171228729 /nfs/dbraw/zinc/22/87/29/171228729.db2.gz DEAHUVQLUQPYCF-ZYHUDNBSSA-N 0 0 251.345 4.002 10 0 CIAERN C[C@@H]1C[C@H](Oc2ccc(F)cc2N)CC(C)(C)C1 ZINC000020506939 171228780 /nfs/dbraw/zinc/22/87/80/171228780.db2.gz ITSUWMBTHKBGRM-PWSUYJOCSA-N 0 0 251.345 4.002 10 0 CIAERN C[C@H]1C[C@H](Oc2ccc(N)cc2F)CC(C)(C)C1 ZINC000020506901 171228842 /nfs/dbraw/zinc/22/88/42/171228842.db2.gz DEAHUVQLUQPYCF-JQWIXIFHSA-N 0 0 251.345 4.002 10 0 CIAERN C[C@H]1CCC[C@@H](Oc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000020507238 171228994 /nfs/dbraw/zinc/22/89/94/171228994.db2.gz VXAIDSIITKSXLY-VHSXEESVSA-N 0 0 273.298 4.245 10 0 CIAERN C[C@H]1C[C@H](OCc2ccc(Cl)nc2)CC(C)(C)C1 ZINC000020513763 171231682 /nfs/dbraw/zinc/23/16/82/171231682.db2.gz PKULCGDPKZRJOA-AAEUAGOBSA-N 0 0 267.800 4.466 10 0 CIAERN CC(=O)c1ccc(O[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000020516907 171232876 /nfs/dbraw/zinc/23/28/76/171232876.db2.gz KIUSIIXEOLPKDG-BLLLJJGKSA-N 0 0 260.377 4.483 10 0 CIAERN CC(=O)c1c(F)cccc1OC[C@H]1CC=CC[C@@H]1C ZINC000020519263 171233455 /nfs/dbraw/zinc/23/34/55/171233455.db2.gz IRXZGASMLORMHH-WCQYABFASA-N 0 0 262.324 4.009 10 0 CIAERN O=Cc1c(Cl)cccc1OC/C=C/c1ccccc1 ZINC000020519298 171233494 /nfs/dbraw/zinc/23/34/94/171233494.db2.gz QJNRFENGTLFFKP-VMPITWQZSA-N 0 0 272.731 4.245 10 0 CIAERN CC(=O)c1cc(F)ccc1OC[C@H]1CC=CC[C@H]1C ZINC000020519274 171233686 /nfs/dbraw/zinc/23/36/86/171233686.db2.gz OJVZAUGBMVQBGX-DGCLKSJQSA-N 0 0 262.324 4.009 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(Cl)cc1C ZINC000020524498 171237182 /nfs/dbraw/zinc/23/71/82/171237182.db2.gz BKWKMMGLLKNWRQ-NSHDSACASA-N 0 0 255.789 4.264 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccccc1Br ZINC000020524393 171237437 /nfs/dbraw/zinc/23/74/37/171237437.db2.gz JCUOVPWAPBQQQZ-SNVBAGLBSA-N 0 0 286.213 4.065 10 0 CIAERN CCC[C@H](C)Nc1cc(OCC)ccc1OCC ZINC000020544820 171243006 /nfs/dbraw/zinc/24/30/06/171243006.db2.gz KGIMOXOVXSBZBV-LBPRGKRZSA-N 0 0 251.370 4.085 10 0 CIAERN COc1ccc(N[C@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000020545878 171243696 /nfs/dbraw/zinc/24/36/96/171243696.db2.gz PTDHHMFOQSGNLE-SNVBAGLBSA-N 0 0 296.292 4.282 10 0 CIAERN CC(C)(C)c1ccc(COc2cc(F)ccc2N)cc1 ZINC000020546104 171244016 /nfs/dbraw/zinc/24/40/16/171244016.db2.gz UYNIIYUASBXVKG-UHFFFAOYSA-N 0 0 273.351 4.284 10 0 CIAERN Cc1ccc(C)c(OC[C@@H](N)c2cc3ccccc3o2)c1 ZINC000020548214 171245482 /nfs/dbraw/zinc/24/54/82/171245482.db2.gz VVEHZJBCSHUDRW-OAHLLOKOSA-N 0 0 281.355 4.128 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2ccc(Br)cn2)[C@@H]1C ZINC000020548465 171245553 /nfs/dbraw/zinc/24/55/53/171245553.db2.gz ODFDVUJDBZAEKS-FOGDFJRCSA-N 0 0 283.213 4.081 10 0 CIAERN NC(=S)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000020549142 171246423 /nfs/dbraw/zinc/24/64/23/171246423.db2.gz LEHMZWZHLYJJAY-UHFFFAOYSA-N 0 0 298.194 4.420 10 0 CIAERN COc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1 ZINC000020552500 171247806 /nfs/dbraw/zinc/24/78/06/171247806.db2.gz UZIPDLMPVAZTEN-UHFFFAOYSA-N 0 0 291.778 4.278 10 0 CIAERN COc1cc(OC)c(NC2CCC(C)CC2)cc1Cl ZINC000020565064 171253381 /nfs/dbraw/zinc/25/33/81/171253381.db2.gz JXAJGYXXADZSRY-UHFFFAOYSA-N 0 0 283.799 4.348 10 0 CIAERN O=Cc1c(Cl)cccc1Oc1ccc(F)cc1F ZINC000020564726 171253459 /nfs/dbraw/zinc/25/34/59/171253459.db2.gz CDLTYMUJNILUGX-UHFFFAOYSA-N 0 0 268.646 4.223 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1cccc(C)c1C ZINC000020566900 171254751 /nfs/dbraw/zinc/25/47/51/171254751.db2.gz HKUQUVBMTYHWDV-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000020567498 171255033 /nfs/dbraw/zinc/25/50/33/171255033.db2.gz LRXMYVXBLMYIQO-KWQFWETISA-N 0 0 259.180 4.379 10 0 CIAERN FC(F)(F)c1cc(Cl)ccc1-n1cc[nH]c1=S ZINC000020581087 171257144 /nfs/dbraw/zinc/25/71/44/171257144.db2.gz YTFDPYUHAKXAMV-UHFFFAOYSA-N 0 0 278.686 4.207 10 0 CIAERN Cc1ccc(Nc2ccccc2N)c(Br)c1 ZINC000020584724 171258310 /nfs/dbraw/zinc/25/83/10/171258310.db2.gz WMUGNKLQTNKOCP-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Fc1ccc(CCn2c3ccccc3[nH]c2=S)cc1 ZINC000020584401 171258382 /nfs/dbraw/zinc/25/83/82/171258382.db2.gz KEVCNVYMFOMUMT-UHFFFAOYSA-N 0 0 272.348 4.081 10 0 CIAERN Nc1ccccc1Nc1ccc(C(F)(F)F)cc1 ZINC000020585263 171258464 /nfs/dbraw/zinc/25/84/64/171258464.db2.gz IMMOYWHCMFNLFT-UHFFFAOYSA-N 0 0 252.239 4.031 10 0 CIAERN Cc1ccc(Nc2ccc(Cl)cc2N)cc1F ZINC000020585660 171258922 /nfs/dbraw/zinc/25/89/22/171258922.db2.gz XDKLRMONBVKFRK-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1cc(C)cc(Nc2ccc(Br)cc2N)c1 ZINC000020585612 171258953 /nfs/dbraw/zinc/25/89/53/171258953.db2.gz MWIAJMPVKXVMAD-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Cc1cccc(Nc2ccc(Br)cc2N)c1C ZINC000020585736 171259115 /nfs/dbraw/zinc/25/91/15/171259115.db2.gz MKKXPAROXCONRE-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN S=c1[nH]nc(C2CC2)n1C1CCCCCCC1 ZINC000020589067 171260582 /nfs/dbraw/zinc/26/05/82/171260582.db2.gz NRRVXILMSWBDOK-UHFFFAOYSA-N 0 0 251.399 4.103 10 0 CIAERN Cc1n[nH]c(=S)n1[C@H](C)c1ccc(Cl)cc1Cl ZINC000020589998 171260751 /nfs/dbraw/zinc/26/07/51/171260751.db2.gz QLIKPTXUMYIGCS-ZCFIWIBFSA-N 0 0 288.203 4.165 10 0 CIAERN O=C(c1cc2cc(Cl)cc(Cl)c2o1)c1cccnc1 ZINC000020592649 171262326 /nfs/dbraw/zinc/26/23/26/171262326.db2.gz AHBXNJQNOCYPQZ-UHFFFAOYSA-N 0 0 292.121 4.366 10 0 CIAERN Cc1c2ccccc2oc1[C@H](N)c1ccc(Cl)cc1 ZINC000020592931 171262627 /nfs/dbraw/zinc/26/26/27/171262627.db2.gz MLPNYFDJGAATOY-OAHLLOKOSA-N 0 0 271.747 4.443 10 0 CIAERN CC(=O)[C@H]1C[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020594335 171263411 /nfs/dbraw/zinc/26/34/11/171263411.db2.gz RWAVHIKVDLBQDO-IAGOWNOFSA-N 0 0 252.313 4.171 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1Cl)c1ccncc1 ZINC000020595097 171264014 /nfs/dbraw/zinc/26/40/14/171264014.db2.gz KCWVLHWUMIHTIO-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN Nc1ccc(Nc2ccc(F)cc2Cl)c(Cl)c1 ZINC000020595318 171264129 /nfs/dbraw/zinc/26/41/29/171264129.db2.gz LOUZYWJZGDMZMU-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Cc1ccc(NC(=O)C[C@H](c2ccco2)n2cccc2)cc1 ZINC000020997420 171284280 /nfs/dbraw/zinc/28/42/80/171284280.db2.gz QUEPWPHPKCLUAQ-MRXNPFEDSA-N 0 0 294.354 4.008 10 0 CIAERN Cc1ccc(F)cc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000021008506 171285682 /nfs/dbraw/zinc/28/56/82/171285682.db2.gz GXDRWZNJKZGPGR-FZMZJTMJSA-N 0 0 259.324 4.463 10 0 CIAERN CC(C)(C)c1ccc(OCc2ccccc2C(N)=S)cc1 ZINC000021014306 171289147 /nfs/dbraw/zinc/28/91/47/171289147.db2.gz JBKJDEWWCUWPKE-UHFFFAOYSA-N 0 0 299.439 4.197 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1cc(OC)c(Cl)cc1OC ZINC000021014869 171289246 /nfs/dbraw/zinc/28/92/46/171289246.db2.gz ARBKIYSXDOIORP-VHSXEESVSA-N 0 0 271.788 4.204 10 0 CIAERN NC(=S)c1ccccc1Nc1ccc(Cl)cc1Cl ZINC000021016932 171289869 /nfs/dbraw/zinc/28/98/69/171289869.db2.gz AEYKHRKETIYTQB-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN Brc1ccc(NCC2CCCCC2)cc1 ZINC000021052788 171295146 /nfs/dbraw/zinc/29/51/46/171295146.db2.gz ZNEFNFDXSOIESN-UHFFFAOYSA-N 0 0 268.198 4.441 10 0 CIAERN Cc1cc(NCCC(C)C)ccc1Br ZINC000021056664 171295838 /nfs/dbraw/zinc/29/58/38/171295838.db2.gz LBEKOIJQWBMURP-UHFFFAOYSA-N 0 0 256.187 4.216 10 0 CIAERN Cc1cc(Oc2ccccc2C(N)=S)ccc1Cl ZINC000021061865 171297244 /nfs/dbraw/zinc/29/72/44/171297244.db2.gz SBXMJBCNWAYGQF-UHFFFAOYSA-N 0 0 277.776 4.075 10 0 CIAERN Cc1cc(C(=O)Nc2c(F)cccc2F)c(C)c(F)c1F ZINC000021266727 171300253 /nfs/dbraw/zinc/30/02/53/171300253.db2.gz NATBTIWKBNWKCT-UHFFFAOYSA-N 0 0 297.251 4.112 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000021286024 171300380 /nfs/dbraw/zinc/30/03/80/171300380.db2.gz OCYHEKKQEPEYEO-ZDUSSCGKSA-N 0 0 287.790 4.448 10 0 CIAERN Cc1cccc(NC(=O)c2cc(C)c(F)c(F)c2C)c1 ZINC000021266737 171300568 /nfs/dbraw/zinc/30/05/68/171300568.db2.gz QJTYBCLNJOUEHP-UHFFFAOYSA-N 0 0 275.298 4.142 10 0 CIAERN Cc1nn(C)c(C)c1NC1CCC(C(C)(C)C)CC1 ZINC000021501989 171305980 /nfs/dbraw/zinc/30/59/80/171305980.db2.gz JEUHSUQVCZRPBI-UHFFFAOYSA-N 0 0 263.429 4.054 10 0 CIAERN Cc1ccc(Cl)cc1NCc1cnn(-c2ccccc2)c1 ZINC000021502522 171306275 /nfs/dbraw/zinc/30/62/75/171306275.db2.gz NEOMFOGQRNHUSF-UHFFFAOYSA-N 0 0 297.789 4.446 10 0 CIAERN CCC[C@@H](C)CNc1ccccc1OC(F)(F)F ZINC000021504235 171306735 /nfs/dbraw/zinc/30/67/35/171306735.db2.gz CUBUZIGWBMZLPY-SNVBAGLBSA-N 0 0 261.287 4.433 10 0 CIAERN CCc1cccc(Oc2ccc(F)cc2C(C)=O)c1 ZINC000021504686 171307273 /nfs/dbraw/zinc/30/72/73/171307273.db2.gz XALKULQWLQJDIB-UHFFFAOYSA-N 0 0 258.292 4.383 10 0 CIAERN C[C@@H](Nc1cccnc1)c1ccc2c(c1)CCCC2 ZINC000021513810 171311344 /nfs/dbraw/zinc/31/13/44/171311344.db2.gz CWRRICGQHQRSQO-CYBMUJFWSA-N 0 0 252.361 4.134 10 0 CIAERN COc1ccc(C)cc1[C@@H](C)Nc1cc(F)cc(F)c1 ZINC000021516208 171312531 /nfs/dbraw/zinc/31/25/31/171312531.db2.gz WTEQLZULRNDCCS-LLVKDONJSA-N 0 0 277.314 4.455 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1cc(OC)cc(OC)c1 ZINC000021516237 171312609 /nfs/dbraw/zinc/31/26/09/171312609.db2.gz CSIIUECDVAUVQN-OLZOCXBDSA-N 0 0 265.397 4.331 10 0 CIAERN Cc1ccc(NCCc2ccccc2)c(Br)c1 ZINC000021516493 171312915 /nfs/dbraw/zinc/31/29/15/171312915.db2.gz IOSVWVKLYVROAW-UHFFFAOYSA-N 0 0 290.204 4.412 10 0 CIAERN CC(=O)c1ccccc1Oc1cccc2c1OC(C)(C)C2 ZINC000021517176 171313197 /nfs/dbraw/zinc/31/31/97/171313197.db2.gz HVGNKILQXJDVNU-UHFFFAOYSA-N 0 0 282.339 4.395 10 0 CIAERN CCC1CCC(Nc2ccc(F)c(F)c2F)CC1 ZINC000021789338 171323583 /nfs/dbraw/zinc/32/35/83/171323583.db2.gz KKYWWBZTKVHYLS-UHFFFAOYSA-N 0 0 257.299 4.485 10 0 CIAERN Cc1cc(OCc2cccc(C(N)=S)c2)ccc1C(C)C ZINC000021791961 171324284 /nfs/dbraw/zinc/32/42/84/171324284.db2.gz QSTUKHDKYLGAKE-UHFFFAOYSA-N 0 0 299.439 4.332 10 0 CIAERN CCCCNc1c(C)cc(Br)cc1C ZINC000021797510 171325266 /nfs/dbraw/zinc/32/52/66/171325266.db2.gz JKQPZXZXPQLSDD-UHFFFAOYSA-N 0 0 256.187 4.278 10 0 CIAERN C[C@H]1CCC[C@H](C)C1Nc1ccc2c(c1)OCCCO2 ZINC000021806091 171327477 /nfs/dbraw/zinc/32/74/77/171327477.db2.gz AEZAFOIFOBIKHD-STQMWFEESA-N 0 0 275.392 4.085 10 0 CIAERN C[C@H](Nc1nccs1)C12CC3CC(CC(C3)C1)C2 ZINC000021805505 171327500 /nfs/dbraw/zinc/32/75/00/171327500.db2.gz SHIDBLNHZJAZGM-OWWVKFPZSA-N 0 0 262.422 4.160 10 0 CIAERN CC(C)CC[C@@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021811039 171329470 /nfs/dbraw/zinc/32/94/70/171329470.db2.gz FPJIEOBZYGWZQT-SNVBAGLBSA-N 0 0 271.307 4.245 10 0 CIAERN Cc1cccc(C(=O)Nc2cccc3ccccc32)c1O ZINC000021813157 171330528 /nfs/dbraw/zinc/33/05/28/171330528.db2.gz PHPYVIAIVCNECO-UHFFFAOYSA-N 0 0 277.323 4.106 10 0 CIAERN COc1cc(OC)c(NC2CCCCCC2)cc1Cl ZINC000021817535 171333465 /nfs/dbraw/zinc/33/34/65/171333465.db2.gz UOAPNTSLEDRJQJ-UHFFFAOYSA-N 0 0 283.799 4.492 10 0 CIAERN CCOc1ccc(N[C@@H](C)CC(C)C)cc1OCC ZINC000021818771 171333895 /nfs/dbraw/zinc/33/38/95/171333895.db2.gz RKCICBJGPWYODM-ZDUSSCGKSA-N 0 0 265.397 4.331 10 0 CIAERN Nc1c(F)cc(F)cc1-c1cccc(C(F)(F)F)c1 ZINC000021950816 171339763 /nfs/dbraw/zinc/33/97/63/171339763.db2.gz RRSMPVSEBPHMOR-UHFFFAOYSA-N 0 0 273.204 4.233 10 0 CIAERN Nc1cccc(NC(=O)Nc2cccc3ccccc32)c1 ZINC000021955954 171341500 /nfs/dbraw/zinc/34/15/00/171341500.db2.gz VWEACYARBQVEAZ-UHFFFAOYSA-N 0 0 277.327 4.066 10 0 CIAERN Cc1c(N)cccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000021960819 171342817 /nfs/dbraw/zinc/34/28/17/171342817.db2.gz GMSSDBJNFPFMEX-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Nc1ccc(NC(=O)c2ccc3ccccc3c2)c(Cl)c1 ZINC000021964728 171343407 /nfs/dbraw/zinc/34/34/07/171343407.db2.gz ALXXXABLBLERHK-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN Nc1cc(NC(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000021966453 171343650 /nfs/dbraw/zinc/34/36/50/171343650.db2.gz YMKMOXIHIVIYIL-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN Cc1ccc2nn(Cc3ccccc3)c(OC(C)C)c2c1 ZINC000021998854 171347587 /nfs/dbraw/zinc/34/75/87/171347587.db2.gz OEFNYJCFMUJBKV-UHFFFAOYSA-N 0 0 280.371 4.180 10 0 CIAERN O=C(c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000022007552 171348598 /nfs/dbraw/zinc/34/85/98/171348598.db2.gz FDFRCNPIKPRFCA-UHFFFAOYSA-N 0 0 269.102 4.364 10 0 CIAERN Cc1cc2c(nc(Cl)nc2-c2ccccc2F)s1 ZINC000022054584 171351175 /nfs/dbraw/zinc/35/11/75/171351175.db2.gz CLDGMBWFNNEERV-UHFFFAOYSA-N 0 0 278.739 4.459 10 0 in-vitro CIAERN CSCCCNc1cc(Cl)ccc1Cl ZINC000022148780 171357658 /nfs/dbraw/zinc/35/76/58/171357658.db2.gz HKTURRVZHQXHLE-UHFFFAOYSA-N 0 0 250.194 4.158 10 0 CIAERN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(F)cc1 ZINC000022148958 171357682 /nfs/dbraw/zinc/35/76/82/171357682.db2.gz QIKFZZKLUIJFFC-VIFPVBQESA-N 0 0 295.260 4.320 10 0 CIAERN CC[C@H](C[C@@H](C)CC)Nc1ccc2c(c1)OCCO2 ZINC000022153508 171360539 /nfs/dbraw/zinc/36/05/39/171360539.db2.gz YYROTGPPUORKLB-QWHCGFSZSA-N 0 0 263.381 4.085 10 0 CIAERN CCc1c(C)sc(N)c1C(=O)c1cccc(Cl)c1 ZINC000027190978 171509520 /nfs/dbraw/zinc/50/95/20/171509520.db2.gz JPLDRKCIHNLFNR-UHFFFAOYSA-N 0 0 279.792 4.086 10 0 CIAERN CC1(C)Sc2ccccc2N1C(=O)c1ccccc1 ZINC000027587015 171524208 /nfs/dbraw/zinc/52/42/08/171524208.db2.gz ZMOWMFGDKIEWGO-UHFFFAOYSA-N 0 0 269.369 4.175 10 0 CIAERN Clc1ccc2oc(COc3ccccc3)nc2c1 ZINC000028815356 171576185 /nfs/dbraw/zinc/57/61/85/171576185.db2.gz ORJKZOUEJKDANQ-UHFFFAOYSA-N 0 0 259.692 4.060 10 0 CIAERN COc1ccc(-c2ncsc2-c2ccc(OC)cc2)cc1 ZINC000029310810 171592980 /nfs/dbraw/zinc/59/29/80/171592980.db2.gz UFMMPEWCEIBKJN-UHFFFAOYSA-N 0 0 297.379 4.494 10 0 CIAERN CC(C)(C)n1cc(C=O)c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000031885676 171653015 /nfs/dbraw/zinc/65/30/15/171653015.db2.gz BCTWJEHSKZRZRR-UHFFFAOYSA-N 0 0 297.185 4.424 10 0 CIAERN CCOc1ccc(-c2ccc(C(=O)CC)cc2)cc1 ZINC000032108263 171700092 /nfs/dbraw/zinc/70/00/92/171700092.db2.gz YSMRUPMYKVLIPF-UHFFFAOYSA-N 0 0 254.329 4.345 10 0 CIAERN CC(C)c1ccc(NCc2ccc3c(c2)OCO3)cc1 ZINC000032117260 171709503 /nfs/dbraw/zinc/70/95/03/171709503.db2.gz WWTKBLINICGGKU-UHFFFAOYSA-N 0 0 269.344 4.151 10 0 CIAERN Nc1ccc(SCCOc2ccc(Cl)cc2)cc1 ZINC000032126462 171713892 /nfs/dbraw/zinc/71/38/92/171713892.db2.gz RZNRCDNSOBEYRD-UHFFFAOYSA-N 0 0 279.792 4.093 10 0 CIAERN CCCC[C@@H](CC)C(=O)Nc1cc(C)nn1C1CCCC1 ZINC000032648596 171742651 /nfs/dbraw/zinc/74/26/51/171742651.db2.gz XQUQNUHYFNRBOW-CQSZACIVSA-N 0 0 291.439 4.462 10 0 CIAERN CCCC[C@H](CC)CNC(=O)/C=C\c1cccs1 ZINC000033456423 171804166 /nfs/dbraw/zinc/80/41/66/171804166.db2.gz YVIKSVYCMFTFFT-XPSMFNQNSA-N 0 0 265.422 4.094 10 0 CIAERN CC(C)c1c(Cl)ncnc1N[C@H](C)c1ccccc1 ZINC000034766980 171866465 /nfs/dbraw/zinc/86/64/65/171866465.db2.gz VZXUWSAWCGAUGL-LLVKDONJSA-N 0 0 275.783 4.427 10 0 CIAERN COC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000035014273 171931121 /nfs/dbraw/zinc/93/11/21/171931121.db2.gz DNFRLJGDWSAVNG-LBPRGKRZSA-N 0 0 287.334 4.094 10 0 CIAERN COc1ccccc1CNc1ccc(Cl)cc1F ZINC000035039906 171945369 /nfs/dbraw/zinc/94/53/69/171945369.db2.gz IXRUABZYJJAUQN-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN CCc1ccccc1O[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000035046910 171950613 /nfs/dbraw/zinc/95/06/13/171950613.db2.gz YWGOCDVDFGQXKO-NSHDSACASA-N 0 0 290.309 4.177 10 0 CIAERN Cc1nc2cc(SCc3ccco3)c(N)cc2s1 ZINC000035060467 171962179 /nfs/dbraw/zinc/96/21/79/171962179.db2.gz LOXUIEYWJICLCV-UHFFFAOYSA-N 0 0 276.386 4.072 10 0 CIAERN CCCCCCOc1cc2nc(C)sc2cc1N ZINC000035060440 171962264 /nfs/dbraw/zinc/96/22/64/171962264.db2.gz KPFDQIHDNBURDL-UHFFFAOYSA-N 0 0 264.394 4.146 10 0 CIAERN O=C(Nc1cccc(Cl)c1F)c1c[nH]c2ccccc12 ZINC000035134757 172001578 /nfs/dbraw/zinc/00/15/78/172001578.db2.gz WGBIIFHPLHVQMQ-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN c1ccc(Oc2ccccc2NC[C@@H]2CCCCO2)cc1 ZINC000035150836 172013434 /nfs/dbraw/zinc/01/34/34/172013434.db2.gz UXVJGXCNLVGTDN-INIZCTEOSA-N 0 0 283.371 4.460 10 0 CIAERN c1ccc(Oc2ccccc2NC[C@H]2CCCCO2)cc1 ZINC000035150837 172013791 /nfs/dbraw/zinc/01/37/91/172013791.db2.gz UXVJGXCNLVGTDN-MRXNPFEDSA-N 0 0 283.371 4.460 10 0 CIAERN Cc1cc(OCc2nnsc2Cl)ccc1C(C)C ZINC000035163577 172025018 /nfs/dbraw/zinc/02/50/18/172025018.db2.gz NZDFEQYRWQPVOG-UHFFFAOYSA-N 0 0 282.796 4.202 10 0 CIAERN COc1ccc(C)cc1CNc1cc(Cl)ccc1F ZINC000035174371 172027989 /nfs/dbraw/zinc/02/79/89/172027989.db2.gz DOSVTKCVEHKWAL-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN COc1ccc(Cl)cc1CNc1ccc(C)cc1F ZINC000035180114 172033465 /nfs/dbraw/zinc/03/34/65/172033465.db2.gz VUDPKXXNQQMIBH-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN COc1ccc(Cl)cc1CNc1ccc(C)c(F)c1 ZINC000035180072 172033512 /nfs/dbraw/zinc/03/35/12/172033512.db2.gz AUJYCGIXEKKHKT-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN CC(C)c1cccc(OCC(=O)c2cccs2)c1 ZINC000035182029 172035268 /nfs/dbraw/zinc/03/52/68/172035268.db2.gz ULPXUYAVVYHJEW-UHFFFAOYSA-N 0 0 260.358 4.133 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000035181807 172035361 /nfs/dbraw/zinc/03/53/61/172035361.db2.gz UCOUZNUDRSGBLC-OAHLLOKOSA-N 0 0 268.356 4.262 10 0 CIAERN CC(C)(C)c1ccc(OCC(=O)c2cccs2)cc1 ZINC000035182092 172035367 /nfs/dbraw/zinc/03/53/67/172035367.db2.gz NQMOGKQCSRCDRZ-UHFFFAOYSA-N 0 0 274.385 4.307 10 0 CIAERN CC(C)c1ccc(OCC(=O)c2ccc(F)cc2)cc1 ZINC000035181877 172035742 /nfs/dbraw/zinc/03/57/42/172035742.db2.gz BLTZWBHSRXIWOC-UHFFFAOYSA-N 0 0 272.319 4.211 10 0 CIAERN Cc1ccc(C)c(OCC(=O)c2ccc(Cl)s2)c1 ZINC000035182295 172035860 /nfs/dbraw/zinc/03/58/60/172035860.db2.gz VMGLLIGJKBIUEL-UHFFFAOYSA-N 0 0 280.776 4.280 10 0 CIAERN CC(C)CS[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182949 172036539 /nfs/dbraw/zinc/03/65/39/172036539.db2.gz VRMSBNAISGAOBN-SNVBAGLBSA-N 0 0 256.798 4.300 10 0 CIAERN Cc1ccc(OCC(=O)c2cc3ccccc3o2)cc1 ZINC000035183677 172036566 /nfs/dbraw/zinc/03/65/66/172036566.db2.gz FRGNANMDXHBNOJ-UHFFFAOYSA-N 0 0 266.296 4.003 10 0 CIAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(C)c(C)c2)cc1 ZINC000035183657 172036833 /nfs/dbraw/zinc/03/68/33/172036833.db2.gz PTPYBLQBNHTYJJ-OAHLLOKOSA-N 0 0 268.356 4.262 10 0 CIAERN CCc1ccc(C(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000035183851 172037265 /nfs/dbraw/zinc/03/72/65/172037265.db2.gz LOTJVTZDEIPWRG-GFCCVEGCSA-N 0 0 272.319 4.038 10 0 CIAERN COc1ccc(C(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000035184000 172037549 /nfs/dbraw/zinc/03/75/49/172037549.db2.gz FVPQJYUVHWTRGU-LBPRGKRZSA-N 0 0 272.369 4.059 10 0 CIAERN O=C(COc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000035183829 172037623 /nfs/dbraw/zinc/03/76/23/172037623.db2.gz CXUNFAHRQOFSDZ-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN CC[C@H]1CCCCN1c1n[nH]c(=S)n1C1CCCCC1 ZINC000035222088 172064987 /nfs/dbraw/zinc/06/49/87/172064987.db2.gz UPJLLLSYEKCSTE-LBPRGKRZSA-N 0 0 294.468 4.215 10 0 CIAERN Clc1ccc(CNc2cc3c(cc2Cl)OCO3)cc1 ZINC000035229646 172070334 /nfs/dbraw/zinc/07/03/34/172070334.db2.gz DIONKOCZWPIYAL-UHFFFAOYSA-N 0 0 296.153 4.334 10 0 CIAERN CCCOc1ccccc1Oc1ccc(N)c(C)c1 ZINC000035278380 172097237 /nfs/dbraw/zinc/09/72/37/172097237.db2.gz GZSUFVZFKQAPPC-UHFFFAOYSA-N 0 0 257.333 4.158 10 0 CIAERN Cc1cc(Sc2ccccc2Br)ccc1N ZINC000035278647 172097576 /nfs/dbraw/zinc/09/75/76/172097576.db2.gz SPJRUAYPJJETOT-UHFFFAOYSA-N 0 0 294.217 4.491 10 0 CIAERN Nc1ccc(Sc2ccc(F)cc2)c2ccncc12 ZINC000035333305 172131931 /nfs/dbraw/zinc/13/19/31/172131931.db2.gz MSTJDVPFFSKCRK-UHFFFAOYSA-N 0 0 270.332 4.107 10 0 CIAERN CC[C@@H](C)Sc1cc2nc(C)sc2cc1N ZINC000035343076 172134954 /nfs/dbraw/zinc/13/49/54/172134954.db2.gz GLNVFEICEAELPB-SSDOTTSWSA-N 0 0 252.408 4.078 10 0 CIAERN Nc1c2ncsc2ccc1Nc1cc(Cl)ccc1F ZINC000035344748 172136702 /nfs/dbraw/zinc/13/67/02/172136702.db2.gz WYLATYUODALTBM-UHFFFAOYSA-N 0 0 293.754 4.415 10 0 CIAERN Cc1cc(C(=O)c2c(C)c(C)cc(C)c2C)c(C)o1 ZINC000035368435 172159906 /nfs/dbraw/zinc/15/99/06/172159906.db2.gz RRDBNEWABZPVDK-UHFFFAOYSA-N 0 0 256.345 4.361 10 0 CIAERN CCc1ccc(C(=O)c2cc3c(s2)CCC3)cc1 ZINC000035368818 172160352 /nfs/dbraw/zinc/16/03/52/172160352.db2.gz YMVYITVYPZDXOR-UHFFFAOYSA-N 0 0 256.370 4.030 10 0 CIAERN Cc1cc(C(=O)c2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000035368591 172160369 /nfs/dbraw/zinc/16/03/69/172160369.db2.gz UTXOYAZLSHPVEH-UHFFFAOYSA-N 0 0 256.345 4.425 10 0 CIAERN CCc1cccc2c(C(=O)c3cccs3)c[nH]c21 ZINC000035369162 172160747 /nfs/dbraw/zinc/16/07/47/172160747.db2.gz QVHKWCKEMUZNNZ-UHFFFAOYSA-N 0 0 255.342 4.023 10 0 CIAERN Cc1ccc(C(=O)c2c[nH]c3cc(Cl)ccc23)s1 ZINC000035369739 172161530 /nfs/dbraw/zinc/16/15/30/172161530.db2.gz RXWSLZAVYKHSNJ-UHFFFAOYSA-N 0 0 275.760 4.422 10 0 CIAERN COc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1F ZINC000035423887 172192806 /nfs/dbraw/zinc/19/28/06/172192806.db2.gz AYLNXPXXZNZGCI-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN Cc1ccc(S[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000035434516 172202454 /nfs/dbraw/zinc/20/24/54/172202454.db2.gz MWCLFSIGKYEDNW-DZKIICNBSA-N 0 0 291.460 4.171 10 0 CIAERN Cc1oc2ncnc(Oc3ccc4cnccc4c3)c2c1C ZINC000035482038 172222467 /nfs/dbraw/zinc/22/24/67/172222467.db2.gz ZDNSMQBXJPBIKX-UHFFFAOYSA-N 0 0 291.310 4.180 10 0 CIAERN CN[C@H](c1c(C)cc(C)cc1C)C(F)(F)C(F)(F)F ZINC000035492277 172226042 /nfs/dbraw/zinc/22/60/42/172226042.db2.gz QOBOLWGACDEQIL-LLVKDONJSA-N 0 0 281.268 4.070 10 0 CIAERN CN[C@@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035502053 172236608 /nfs/dbraw/zinc/23/66/08/172236608.db2.gz MDTOLXPREMAAAP-VIFPVBQESA-N 0 0 276.188 4.265 10 0 CIAERN CN[C@@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035502038 172236717 /nfs/dbraw/zinc/23/67/17/172236717.db2.gz BVPNMCIDIPBKRX-SNVBAGLBSA-N 0 0 276.188 4.265 10 0 CIAERN CCN[C@H](c1ccc(CC)s1)C(F)(F)C(F)(F)F ZINC000035537333 172244441 /nfs/dbraw/zinc/24/44/41/172244441.db2.gz BWAURDLZXVURAZ-SECBINFHSA-N 0 0 287.297 4.159 10 0 CIAERN CCN[C@H](c1ccc(C)cc1C)C(F)(F)C(F)(F)F ZINC000035542589 172250517 /nfs/dbraw/zinc/25/05/17/172250517.db2.gz ZVLPHOITFIQGRU-LLVKDONJSA-N 0 0 281.268 4.152 10 0 CIAERN CCCCc1ccc([C@@H](NCC)C(F)(F)F)cc1 ZINC000035548038 172256231 /nfs/dbraw/zinc/25/62/31/172256231.db2.gz ICXGZIVRXJJPAS-CYBMUJFWSA-N 0 0 259.315 4.242 10 0 CIAERN O=C(Nc1cccc(O)c1)c1cccc(-c2ccccc2)c1 ZINC000035552154 172259198 /nfs/dbraw/zinc/25/91/98/172259198.db2.gz GBVVRZIKKZYHQH-UHFFFAOYSA-N 0 0 289.334 4.312 10 0 CIAERN CCN[C@@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035558640 172264584 /nfs/dbraw/zinc/26/45/84/172264584.db2.gz MPZKKJJLZYVVJI-CYBMUJFWSA-N 0 0 270.159 4.285 10 0 CIAERN CCN[C@@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035559199 172264650 /nfs/dbraw/zinc/26/46/50/172264650.db2.gz SFDIKBMVKLSYMW-SNVBAGLBSA-N 0 0 276.188 4.347 10 0 CIAERN CCCN[C@H](c1ccc(Br)cc1)C(F)(F)F ZINC000035574141 172270770 /nfs/dbraw/zinc/27/07/70/172270770.db2.gz QOTQJEZEKGSYMJ-SNVBAGLBSA-N 0 0 296.130 4.052 10 0 CIAERN CCCCCOc1c2ccccc2ccc1[C@@H](C)O ZINC000035627929 172306741 /nfs/dbraw/zinc/30/67/41/172306741.db2.gz WOIIXPQHMCJENM-CYBMUJFWSA-N 0 0 258.361 4.462 10 0 CIAERN C[C@H](O)c1ccc2ccccc2c1OC1CCCC1 ZINC000035628027 172307023 /nfs/dbraw/zinc/30/70/23/172307023.db2.gz KUZIWJRFPGIOHC-LBPRGKRZSA-N 0 0 256.345 4.215 10 0 CIAERN Cc1c2cc(C)ccc2oc1[C@H](N)c1cccs1 ZINC000035630526 172312175 /nfs/dbraw/zinc/31/21/75/172312175.db2.gz HOBRDDASOHJWBQ-CQSZACIVSA-N 0 0 257.358 4.159 10 0 CIAERN CCN(c1ccc(F)cc1[C@H](C)O)C1CCCCC1 ZINC000035631330 172313811 /nfs/dbraw/zinc/31/38/11/172313811.db2.gz QIBHLYWFKOVWGU-LBPRGKRZSA-N 0 0 265.372 4.038 10 0 CIAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2F)c(C)c1 ZINC000035632091 172314372 /nfs/dbraw/zinc/31/43/72/172314372.db2.gz XESVHQJUAZVKIE-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN Cc1cc(C)c(C)c(Oc2ccc([C@@H](C)O)cc2)c1 ZINC000035632476 172314918 /nfs/dbraw/zinc/31/49/18/172314918.db2.gz GCJJINGQQSAWCK-CQSZACIVSA-N 0 0 256.345 4.457 10 0 CIAERN C[C@@H](O)c1c(F)cccc1Oc1ccccc1Cl ZINC000035632205 172314961 /nfs/dbraw/zinc/31/49/61/172314961.db2.gz NDAUICCRIVDDNK-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN C[C@H](O)c1ccc(Oc2cccc3cccnc32)cc1 ZINC000035632458 172314984 /nfs/dbraw/zinc/31/49/84/172314984.db2.gz JIIICUSCKHJKOU-LBPRGKRZSA-N 0 0 265.312 4.080 10 0 CIAERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1C ZINC000035632240 172315102 /nfs/dbraw/zinc/31/51/02/172315102.db2.gz NQAWNTVXYZQDQC-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN Cc1ccc(C)c(Oc2ccc([C@H](C)O)cc2)c1C ZINC000035632535 172315526 /nfs/dbraw/zinc/31/55/26/172315526.db2.gz SEDLECXDSOJLKU-AWEZNQCLSA-N 0 0 256.345 4.457 10 0 CIAERN Cc1ccc(Cl)c(Oc2ccc([C@H](C)O)cc2)c1 ZINC000035632588 172315576 /nfs/dbraw/zinc/31/55/76/172315576.db2.gz XAUDGWVDQCKPDW-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN Cc1c(N)cccc1COc1cccc(Cl)c1Cl ZINC000035649431 172325865 /nfs/dbraw/zinc/32/58/65/172325865.db2.gz LOYWAKYMPQFTJE-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN Cc1ccc(Cl)c(OCc2cccc(N)c2C)c1 ZINC000035649498 172325945 /nfs/dbraw/zinc/32/59/45/172325945.db2.gz GAXXRASSGQDEQA-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN Cc1cc(OCc2cccc(N)c2C)cc(C)c1Cl ZINC000035649499 172325987 /nfs/dbraw/zinc/32/59/87/172325987.db2.gz YHVZHXRQJMMDMC-UHFFFAOYSA-N 0 0 275.779 4.426 10 0 CIAERN Cc1ccc(C)c(Oc2ccccc2[C@@H](C)O)c1C ZINC000035650745 172326705 /nfs/dbraw/zinc/32/67/05/172326705.db2.gz DDZJXHMESIKDOZ-CQSZACIVSA-N 0 0 256.345 4.457 10 0 CIAERN C[C@H](O)c1ccccc1Oc1ccc2c(c1)CCC2 ZINC000035650725 172326959 /nfs/dbraw/zinc/32/69/59/172326959.db2.gz YHYYBGZUPRYYCW-LBPRGKRZSA-N 0 0 254.329 4.021 10 0 CIAERN FC(F)Sc1ccccc1NC1CCSCC1 ZINC000035651906 172328346 /nfs/dbraw/zinc/32/83/46/172328346.db2.gz IXHCGXIUWFQWDT-UHFFFAOYSA-N 0 0 275.389 4.309 10 0 CIAERN Brc1ccccc1NC1Cc2ccccc2C1 ZINC000035657913 172332558 /nfs/dbraw/zinc/33/25/58/172332558.db2.gz AFUSOYIVQRVJHA-UHFFFAOYSA-N 0 0 288.188 4.028 10 0 CIAERN CC(C)c1cccc(NC2Cc3ccccc3C2)c1 ZINC000035658030 172332925 /nfs/dbraw/zinc/33/29/25/172332925.db2.gz UNNIGAKIOVFCGO-UHFFFAOYSA-N 0 0 251.373 4.389 10 0 CIAERN CC(=O)c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000035676338 172346385 /nfs/dbraw/zinc/34/63/85/172346385.db2.gz NFPJAUKRDREBTK-UHFFFAOYSA-N 0 0 264.296 4.319 10 0 CIAERN C[C@H](c1ccco1)n1c(-c2ccccc2)c[nH]c1=S ZINC000035739748 172394058 /nfs/dbraw/zinc/39/40/58/172394058.db2.gz LQSWRCSWLUYTGH-LLVKDONJSA-N 0 0 270.357 4.415 10 0 CIAERN COC(=O)/C=C\c1ccc(-c2cccc3ccccc32)o1 ZINC000035898930 172424757 /nfs/dbraw/zinc/42/47/57/172424757.db2.gz UYIBIWZWXBBHBB-BENRWUELSA-N 0 0 278.307 4.286 10 0 CIAERN CSc1cccc(NC(=O)c2cccc3[nH]ccc32)c1 ZINC000036165100 172481700 /nfs/dbraw/zinc/48/17/00/172481700.db2.gz LPZBQRNIIUOKIY-UHFFFAOYSA-N 0 0 282.368 4.142 10 0 CIAERN Cc1cc(N)cnc1Oc1ccc(C(C)(C)C)cc1 ZINC000036243224 172540154 /nfs/dbraw/zinc/54/01/54/172540154.db2.gz RYWYJBGNHYXHKL-UHFFFAOYSA-N 0 0 256.349 4.062 10 0 CIAERN COc1ccccc1Nc1nc(Cl)nc2sccc21 ZINC000036277462 172568691 /nfs/dbraw/zinc/56/86/91/172568691.db2.gz JEIBSIHPCRKKTL-UHFFFAOYSA-N 0 0 291.763 4.097 10 0 CIAERN O=C(Cc1csc2ccccc12)c1ccccc1 ZINC000036431146 172636462 /nfs/dbraw/zinc/63/64/62/172636462.db2.gz SFQHXQMUAGHQOQ-UHFFFAOYSA-N 0 0 252.338 4.327 10 0 CIAERN CN(c1ccccc1)c1cc(Br)ccc1C=O ZINC000036670347 172647527 /nfs/dbraw/zinc/64/75/27/172647527.db2.gz NWMDHVDHOAHLGA-UHFFFAOYSA-N 0 0 290.160 4.030 10 0 CIAERN Cc1cc(Nc2cccc(N)c2)ccc1Br ZINC000036720390 172657589 /nfs/dbraw/zinc/65/75/89/172657589.db2.gz BVNHIIKJIPYFSP-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN COc1ccc(N)cc1CSc1ccccc1Cl ZINC000036722339 172660143 /nfs/dbraw/zinc/66/01/43/172660143.db2.gz IQOBYOPKGATGLC-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN COc1ccc(C(=O)c2cc3c(s2)CCC3)c(Cl)c1 ZINC000036767293 172685124 /nfs/dbraw/zinc/68/51/24/172685124.db2.gz ZVHDDAVTAZNAGC-UHFFFAOYSA-N 0 0 292.787 4.130 10 0 CIAERN COc1ccc(C(=O)c2ccc(C)cc2C)c(Cl)c1 ZINC000036767394 172685204 /nfs/dbraw/zinc/68/52/04/172685204.db2.gz OOVBHTMWRNNDKS-UHFFFAOYSA-N 0 0 274.747 4.196 10 0 CIAERN Fc1ccccc1NC1CC(c2ccccc2F)C1 ZINC000036842421 172746405 /nfs/dbraw/zinc/74/64/05/172746405.db2.gz GDFFQZZKSPCLBR-UHFFFAOYSA-N 0 0 259.299 4.323 10 0 CIAERN C[C@H](c1ccncc1)n1c(=S)[nH]c2cc(Cl)ccc21 ZINC000036890140 172784707 /nfs/dbraw/zinc/78/47/07/172784707.db2.gz HZWHYVUNWNURNJ-SECBINFHSA-N 0 0 289.791 4.357 10 0 CIAERN CCOc1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1 ZINC000036912292 172799291 /nfs/dbraw/zinc/79/92/91/172799291.db2.gz IZNGUKWNVHZVKI-UHFFFAOYSA-N 0 0 296.395 4.458 10 0 CIAERN Cc1cc(-c2csc(-c3ccc(N)cc3)n2)c(C)o1 ZINC000036912300 172799483 /nfs/dbraw/zinc/79/94/83/172799483.db2.gz WRDIHANGWMOVKR-UHFFFAOYSA-N 0 0 270.357 4.269 10 0 CIAERN CCc1cc(Cl)c2cccc(OCC(F)(F)F)c2n1 ZINC000036912792 172799789 /nfs/dbraw/zinc/79/97/89/172799789.db2.gz XDEJRYRROFHULR-UHFFFAOYSA-N 0 0 289.684 4.392 10 0 CIAERN CC(=O)c1ccc(-c2ccc(F)c(F)c2F)s1 ZINC000036927420 172810131 /nfs/dbraw/zinc/81/01/31/172810131.db2.gz BMOAWWJCMGYQJE-UHFFFAOYSA-N 0 0 256.248 4.035 10 0 CIAERN COC(=O)c1ccc(Cl)cc1N[C@@H](C)c1cccs1 ZINC000036952430 172825560 /nfs/dbraw/zinc/82/55/60/172825560.db2.gz YDWGLBJBBVDPAU-VIFPVBQESA-N 0 0 295.791 4.361 10 0 CIAERN CC(C)C[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000036958309 172828906 /nfs/dbraw/zinc/82/89/06/172828906.db2.gz GABNQYLLXBRJEP-ZDUSSCGKSA-N 0 0 263.381 4.098 10 0 CIAERN COc1ccc([C@H](C)Nc2cccnc2Cl)cc1F ZINC000036982782 172849328 /nfs/dbraw/zinc/84/93/28/172849328.db2.gz APTUKYLVYPMYPN-VIFPVBQESA-N 0 0 280.730 4.056 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(CO)c1 ZINC000037048393 172914658 /nfs/dbraw/zinc/91/46/58/172914658.db2.gz CRIQSWYOUUOEII-HOTGVXAUSA-N 0 0 261.409 4.196 10 0 CIAERN CC(C)CC(CC(C)C)Nc1ccc2cn[nH]c2c1 ZINC000037134103 172975411 /nfs/dbraw/zinc/97/54/11/172975411.db2.gz XKTIJEICWIBRAU-UHFFFAOYSA-N 0 0 259.397 4.436 10 0 CIAERN Nc1ccc(SCc2ccc(F)cc2Cl)cc1 ZINC000037182550 173014970 /nfs/dbraw/zinc/01/49/70/173014970.db2.gz SWWXRNAFGJVLHH-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN FC(F)(F)c1ccccc1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000037196407 173024428 /nfs/dbraw/zinc/02/44/28/173024428.db2.gz ABHAXBVRSGJHSR-OUJBWJOFSA-N 0 0 253.267 4.082 10 0 CIAERN Cc1ccc2sc([C@H]3Cc4ccccc4N3)nc2c1 ZINC000037204415 173026490 /nfs/dbraw/zinc/02/64/90/173026490.db2.gz GBTRFZWJGYLYFJ-CQSZACIVSA-N 0 0 266.369 4.314 10 0 CIAERN Fc1ccc2sc(NCCc3cccs3)nc2c1 ZINC000037206672 173027475 /nfs/dbraw/zinc/02/74/75/173027475.db2.gz FVKWOAKIRKQMOF-UHFFFAOYSA-N 0 0 278.377 4.152 10 0 CIAERN Cc1ccc(C)c(Oc2ccc(F)cc2CO)c1C ZINC000037235411 173053347 /nfs/dbraw/zinc/05/33/47/173053347.db2.gz ZGSOBDUGLOUITR-UHFFFAOYSA-N 0 0 260.308 4.036 10 0 CIAERN CSc1ccccc1N[C@@H]1CCc2ccccc2C1 ZINC000037279137 173088422 /nfs/dbraw/zinc/08/84/22/173088422.db2.gz HCFFRSXJXFVAAE-OAHLLOKOSA-N 0 0 269.413 4.378 10 0 CIAERN O=Cc1cn(-c2ccccc2Cl)nc1-c1cccs1 ZINC000037295222 173099569 /nfs/dbraw/zinc/09/95/69/173099569.db2.gz XVKMQTPBXVQITP-UHFFFAOYSA-N 0 0 288.759 4.067 10 0 CIAERN COC(=O)c1cccc(NCc2ccc(C(C)C)cc2)c1 ZINC000037302026 173107187 /nfs/dbraw/zinc/10/71/87/173107187.db2.gz SHRMSEOLMQNXMY-UHFFFAOYSA-N 0 0 283.371 4.209 10 0 CIAERN CCCC(CCC)Nc1cccc(C(=O)OCC)c1 ZINC000037308123 173111135 /nfs/dbraw/zinc/11/11/35/173111135.db2.gz XCMJOLKJROLOKN-UHFFFAOYSA-N 0 0 263.381 4.244 10 0 CIAERN Oc1ccc(N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000037316864 173117335 /nfs/dbraw/zinc/11/73/35/173117335.db2.gz AIRZFHSPPKAGHX-CQSZACIVSA-N 0 0 275.348 4.180 10 0 CIAERN CC(C)[C@@H](Nc1ccc2cn[nH]c2c1)c1cccs1 ZINC000037317202 173117493 /nfs/dbraw/zinc/11/74/93/173117493.db2.gz BELHBBLUHOVOSF-OAHLLOKOSA-N 0 0 271.389 4.434 10 0 CIAERN Cc1ccc(N)c(-c2nc3ccccc3n2C(C)C)c1 ZINC000037323628 173124470 /nfs/dbraw/zinc/12/44/70/173124470.db2.gz HVEUZIPJZHZHCQ-UHFFFAOYSA-N 0 0 265.360 4.175 10 0 CIAERN CC(C)c1nccn1[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037340395 173142119 /nfs/dbraw/zinc/14/21/19/173142119.db2.gz MINPKJJEGCPRHQ-LLVKDONJSA-N 0 0 276.767 4.104 10 0 CIAERN Cc1ccc(C(=O)CO[C@@H]2CCCC[C@@H]2C)cc1C ZINC000037343695 173142916 /nfs/dbraw/zinc/14/29/16/173142916.db2.gz PYAYEOBHZMZNTE-SUMWQHHRSA-N 0 0 260.377 4.081 10 0 CIAERN Cc1cc(C)c(C(=O)CO[C@H](C)CC(C)C)c(C)c1 ZINC000037345626 173143259 /nfs/dbraw/zinc/14/32/59/173143259.db2.gz DCGFDVPVYJLCKO-OAHLLOKOSA-N 0 0 262.393 4.246 10 0 CIAERN Cc1ccc(-c2[nH]nc(N)c2-c2ccccc2C)s1 ZINC000037348312 173144076 /nfs/dbraw/zinc/14/40/76/173144076.db2.gz NRBKYOXKJWXZKE-UHFFFAOYSA-N 0 0 269.373 4.004 10 0 CIAERN Nc1onc(C2CCCC2)c1-c1c(F)cccc1Cl ZINC000037349956 173144853 /nfs/dbraw/zinc/14/48/53/173144853.db2.gz KKZICFQPAQVITL-UHFFFAOYSA-N 0 0 280.730 4.374 10 0 CIAERN C[C@@H]1C[C@H]1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037354517 173146929 /nfs/dbraw/zinc/14/69/29/173146929.db2.gz RJHHUEFPZZOENG-MLGOLLRUSA-N 0 0 252.313 4.318 10 0 CIAERN CCCC[C@H](CC)C(=O)c1ccc(NC(C)=O)cc1 ZINC000037356777 173147615 /nfs/dbraw/zinc/14/76/15/173147615.db2.gz WODCSIHDRUOKBC-ZDUSSCGKSA-N 0 0 261.365 4.044 10 0 CIAERN COc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1 ZINC000037357910 173147739 /nfs/dbraw/zinc/14/77/39/173147739.db2.gz FZNCDMJUNZKINQ-UHFFFAOYSA-N 0 0 281.138 4.233 10 0 CIAERN CCc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1 ZINC000037358119 173147785 /nfs/dbraw/zinc/14/77/85/173147785.db2.gz BTXVITBWFJOMNN-UHFFFAOYSA-N 0 0 274.747 4.142 10 0 CIAERN O=C(c1c[nH]c2ccccc12)c1ccc(F)cc1Cl ZINC000037361509 173151291 /nfs/dbraw/zinc/15/12/91/173151291.db2.gz XKDJZEBTVKORPU-UHFFFAOYSA-N 0 0 273.694 4.191 10 0 CIAERN COc1ccc(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC000037362742 173151726 /nfs/dbraw/zinc/15/17/26/173151726.db2.gz ORFQZJDVBGCTOC-LOWVWBTDSA-N 0 0 278.779 4.358 10 0 CIAERN O=C(c1c[nH]c2cc(F)ccc12)c1cccc(Cl)c1 ZINC000037368096 173157551 /nfs/dbraw/zinc/15/75/51/173157551.db2.gz XVTNNXIKNAUZER-UHFFFAOYSA-N 0 0 273.694 4.191 10 0 CIAERN O=C(Cc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000037373550 173162763 /nfs/dbraw/zinc/16/27/63/173162763.db2.gz UXBNOCLDXLEUTF-UHFFFAOYSA-N 0 0 287.771 4.375 10 0 CIAERN CC(=O)c1ccc(Sc2ccc(F)cc2F)c(F)c1 ZINC000037375010 173164687 /nfs/dbraw/zinc/16/46/87/173164687.db2.gz IUEFUWKKQUJVPK-UHFFFAOYSA-N 0 0 282.286 4.458 10 0 CIAERN Cc1ccc(Nc2ccc(F)c(Cl)c2)c(N)c1 ZINC000037401449 173178048 /nfs/dbraw/zinc/17/80/48/173178048.db2.gz WRZXDHQUACKODP-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(Oc2ccc(F)cc2Br)c(N)c1 ZINC000037401502 173178337 /nfs/dbraw/zinc/17/83/37/173178337.db2.gz SESLZDFGIZXQOK-UHFFFAOYSA-N 0 0 296.139 4.271 10 0 CIAERN Cc1cc2ccccc2n1Cc1ccc(Cl)c(N)c1 ZINC000037402580 173178973 /nfs/dbraw/zinc/17/89/73/173178973.db2.gz BXTFTBDXMRBGHK-UHFFFAOYSA-N 0 0 270.763 4.234 10 0 CIAERN Cc1cc(C)cc(OCc2cc(N)ccc2Cl)c1 ZINC000037403299 173179394 /nfs/dbraw/zinc/17/93/94/173179394.db2.gz FEYKIGWMQDKTLN-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN CC[C@H]1CCCC[C@H]1OCc1cc(N)ccc1Cl ZINC000037403384 173179718 /nfs/dbraw/zinc/17/97/18/173179718.db2.gz KPYPTTLOHKIQOE-XHDPSFHLSA-N 0 0 267.800 4.408 10 0 CIAERN C[C@H](c1ccco1)n1c2cccc(F)c2[nH]c1=S ZINC000037422842 173198621 /nfs/dbraw/zinc/19/86/21/173198621.db2.gz PAEUBDOYIQTQCQ-MRVPVSSYSA-N 0 0 262.309 4.040 10 0 CIAERN COc1cccc(COc2c(Cl)cc(N)cc2Cl)c1 ZINC000037428662 173199517 /nfs/dbraw/zinc/19/95/17/173199517.db2.gz CZJUPQIFIINHIX-UHFFFAOYSA-N 0 0 298.169 4.163 10 0 CIAERN COc1ccccc1C1(O)CCC(C(C)(C)C)CC1 ZINC000037528969 173252570 /nfs/dbraw/zinc/25/25/70/173252570.db2.gz QZJDREVAENWVJX-UHFFFAOYSA-N 0 0 262.393 4.119 10 0 CIAERN Cc1ccc([C@](C)(O)Cc2cccc(Cl)c2)cc1 ZINC000037530496 173252889 /nfs/dbraw/zinc/25/28/89/173252889.db2.gz KHOFWXSNGLXJSC-MRXNPFEDSA-N 0 0 260.764 4.099 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)Cc1ccccc1F ZINC000037530064 173253049 /nfs/dbraw/zinc/25/30/49/173253049.db2.gz OEABDGLKGJNBIL-NVXWUHKLSA-N 0 0 264.384 4.336 10 0 CIAERN Cc1ccc(C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000037532692 173253731 /nfs/dbraw/zinc/25/37/31/173253731.db2.gz MQQPZRNFBPXFFC-OAHLLOKOSA-N 0 0 291.188 4.034 10 0 CIAERN Cc1cccc(C[C@@H](O)Cc2ccc(Cl)cc2Cl)c1 ZINC000037532795 173253771 /nfs/dbraw/zinc/25/37/71/173253771.db2.gz YNQRYKHAGOZWEQ-OAHLLOKOSA-N 0 0 295.209 4.448 10 0 CIAERN O[C@@H](Cc1ccccc1Cl)c1cccc(Cl)c1 ZINC000037532486 173253792 /nfs/dbraw/zinc/25/37/92/173253792.db2.gz HUXWGGGQPRSCBE-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN Cc1ccccc1[C@H](O)Cc1ccc(Br)cc1 ZINC000037532564 173253829 /nfs/dbraw/zinc/25/38/29/173253829.db2.gz BGZQYCLBJHZURT-OAHLLOKOSA-N 0 0 291.188 4.034 10 0 CIAERN Cc1ccccc1C[C@H](O)c1cccc(Br)c1 ZINC000037532701 173254102 /nfs/dbraw/zinc/25/41/02/173254102.db2.gz BFAIJYMXBPJEAL-HNNXBMFYSA-N 0 0 291.188 4.034 10 0 CIAERN C[C@@H](Nc1ccn(C)n1)c1c(Cl)ccc(F)c1Cl ZINC000037560958 173271121 /nfs/dbraw/zinc/27/11/21/173271121.db2.gz SAOJSMRYDFVCIP-SSDOTTSWSA-N 0 0 288.153 4.039 10 0 CIAERN CCCCCC(CCCCC)Nc1ccn(C)n1 ZINC000037560714 173271375 /nfs/dbraw/zinc/27/13/75/173271375.db2.gz SHINMEZVDCDVIP-UHFFFAOYSA-N 0 0 251.418 4.361 10 0 CIAERN C[C@H](Nc1cccc(N2CCCC2)c1)c1ccco1 ZINC000037774995 173706934 /nfs/dbraw/zinc/70/69/34/173706934.db2.gz IZMDODDOXUOFGB-ZDUSSCGKSA-N 0 0 256.349 4.053 10 0 CIAERN CCOc1ccc(Cl)cc1NCc1ccc(C)o1 ZINC000037780893 173710812 /nfs/dbraw/zinc/71/08/12/173710812.db2.gz SRVFYHSJSBXHTM-UHFFFAOYSA-N 0 0 265.740 4.252 10 0 CIAERN CCOc1cccc(NCc2ccc(C)c(C)c2)c1 ZINC000037780404 173711112 /nfs/dbraw/zinc/71/11/12/173711112.db2.gz YNPQQFURNFHTAC-UHFFFAOYSA-N 0 0 255.361 4.314 10 0 CIAERN C[C@H](O)c1cc(F)ccc1Oc1ccc(F)cc1Cl ZINC000037902337 173833250 /nfs/dbraw/zinc/83/32/50/173833250.db2.gz GSUQRVYRAJYMAK-QMMMGPOBSA-N 0 0 284.689 4.464 10 0 CIAERN C[C@H](Nc1ccccc1-c1cccs1)c1cc[nH]n1 ZINC000037907851 173840743 /nfs/dbraw/zinc/84/07/43/173840743.db2.gz GSHJEJTZBPRSKI-NSHDSACASA-N 0 0 269.373 4.311 10 0 CIAERN C[C@@H](Nc1ccc(SC(F)(F)F)cc1)c1cc[nH]n1 ZINC000037907774 173840749 /nfs/dbraw/zinc/84/07/49/173840749.db2.gz OMIURAABRRBRQY-MRVPVSSYSA-N 0 0 287.310 4.195 10 0 CIAERN CCOC(=O)C1(Nc2cccc(Cl)c2)CCCCC1 ZINC000037955740 173897540 /nfs/dbraw/zinc/89/75/40/173897540.db2.gz UYSHESZUTXNSDL-UHFFFAOYSA-N 0 0 281.783 4.018 10 0 CIAERN CC(C)c1ccc(Oc2nsnc2Cl)cc1 ZINC000037981696 173941793 /nfs/dbraw/zinc/94/17/93/173941793.db2.gz KZCWFMLDOLNKBS-UHFFFAOYSA-N 0 0 254.742 4.107 10 0 CIAERN CCc1c(C)[nH]c2c(-c3ccccc3)cccc2c1=O ZINC000038005109 173967569 /nfs/dbraw/zinc/96/75/69/173967569.db2.gz RVQGTFBDCSSKKR-UHFFFAOYSA-N 0 0 263.340 4.066 10 0 CIAERN COc1ccc(NCc2cc(-c3ccccc3)cs2)cn1 ZINC000038030681 174022128 /nfs/dbraw/zinc/02/21/28/174022128.db2.gz VXBZIAMZDZTJGW-UHFFFAOYSA-N 0 0 296.395 4.431 10 0 CIAERN Nc1cc(F)c(Nc2cccc3ccccc32)c(F)c1 ZINC000038039949 174039436 /nfs/dbraw/zinc/03/94/36/174039436.db2.gz NYCUEOAEKFPXKB-UHFFFAOYSA-N 0 0 270.282 4.444 10 0 CIAERN Nc1cc(F)c(Oc2cccc3ccccc32)c(F)c1 ZINC000038040281 174040504 /nfs/dbraw/zinc/04/05/04/174040504.db2.gz BETBUYNAUMRDFA-UHFFFAOYSA-N 0 0 271.266 4.493 10 0 CIAERN Nc1cc(F)c(Oc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000038040367 174040585 /nfs/dbraw/zinc/04/05/85/174040585.db2.gz OBAYQCLNMUXTAG-UHFFFAOYSA-N 0 0 289.203 4.358 10 0 CIAERN CCc1ccc(COc2cccc3c2NCCC3)s1 ZINC000038056268 174067642 /nfs/dbraw/zinc/06/76/42/174067642.db2.gz WIKYFPZXNRAPFD-UHFFFAOYSA-N 0 0 273.401 4.248 10 0 CIAERN O=Cc1ccc(-c2ccc3ccccc3c2)cc1F ZINC000038069681 174081088 /nfs/dbraw/zinc/08/10/88/174081088.db2.gz SAEOFVASEDNFTO-UHFFFAOYSA-N 0 0 250.272 4.458 10 0 CIAERN CC(C)Oc1ccc(-c2ccc(F)c(C=O)c2)cc1 ZINC000038071914 174082762 /nfs/dbraw/zinc/08/27/62/174082762.db2.gz OPNBWBITZDCFLC-UHFFFAOYSA-N 0 0 258.292 4.092 10 0 CIAERN CCC(=O)c1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038071951 174082796 /nfs/dbraw/zinc/08/27/96/174082796.db2.gz MZODJIFRPDCUBR-UHFFFAOYSA-N 0 0 258.292 4.094 10 0 CIAERN O[C@H](Cc1cccc(Cl)c1)c1ccccc1Cl ZINC000038078395 174088578 /nfs/dbraw/zinc/08/85/78/174088578.db2.gz JOBUQKKTOTVUGN-CQSZACIVSA-N 0 0 267.155 4.270 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1cncc(Cl)n1 ZINC000038082336 174091180 /nfs/dbraw/zinc/09/11/80/174091180.db2.gz OATPZIPQHOIOMO-JTQLQIEISA-N 0 0 262.740 4.436 10 0 CIAERN CC(C)(C)c1ccccc1Oc1cncc(Cl)n1 ZINC000038082226 174091281 /nfs/dbraw/zinc/09/12/81/174091281.db2.gz AWADNMHDDWOLHF-UHFFFAOYSA-N 0 0 262.740 4.220 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1nsnc1Cl ZINC000038082342 174091331 /nfs/dbraw/zinc/09/13/31/174091331.db2.gz FGEBWUXWCPMOCC-QMMMGPOBSA-N 0 0 268.769 4.497 10 0 CIAERN CCSc1ccccc1NC(=O)c1ccc(Cl)nc1 ZINC000038102439 174118580 /nfs/dbraw/zinc/11/85/80/174118580.db2.gz XVPJWSJUYIQWDA-UHFFFAOYSA-N 0 0 292.791 4.099 10 0 CIAERN COc1ccc(Br)c(COc2ccccc2)c1 ZINC000038265314 174138436 /nfs/dbraw/zinc/13/84/36/174138436.db2.gz SCHSSILPQNELFM-UHFFFAOYSA-N 0 0 293.160 4.037 10 0 CIAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)CCC[C@@]43C)[C@@H]1CCC2=O ZINC000038295563 174138884 /nfs/dbraw/zinc/13/88/84/174138884.db2.gz OGXWKHLUSIUVRP-QTUVYZQZSA-N 0 0 288.431 4.167 10 0 CIAERN Oc1ccc(F)cc1-c1csc(Nc2ccccc2)n1 ZINC000038531534 174144205 /nfs/dbraw/zinc/14/42/05/174144205.db2.gz NPJJDJGWHNRPJL-UHFFFAOYSA-N 0 0 286.331 4.398 10 0 CIAERN O=c1cc(-c2ccc3ccccc3c2)[nH]c2ccccc12 ZINC000038860935 174158462 /nfs/dbraw/zinc/15/84/62/174158462.db2.gz FHSJPEFFQXUFCB-UHFFFAOYSA-N 0 0 271.319 4.348 10 0 CIAERN COc1ccc(-c2cccc3ccccc32)c(C=O)c1 ZINC000039000665 174161177 /nfs/dbraw/zinc/16/11/77/174161177.db2.gz AIJAGODATDMUIS-UHFFFAOYSA-N 0 0 262.308 4.328 10 0 CIAERN O=c1c2ccccc2oc(-c2ccccc2)c1N1CCCC1 ZINC000039119552 174163317 /nfs/dbraw/zinc/16/33/17/174163317.db2.gz NNHFUUNWUBTTJB-UHFFFAOYSA-N 0 0 291.350 4.060 10 0 CIAERN CCCCCC(=C=C(OCC)n1cncn1)c1ccccc1 ZINC000039174651 174165028 /nfs/dbraw/zinc/16/50/28/174165028.db2.gz LXZGEHHGHHVZGC-UHFFFAOYSA-N 0 0 297.402 4.376 10 0 CIAERN Cc1ccc2cc(-c3nc4ccccc4[nH]3)ccc2n1 ZINC000039218813 174165984 /nfs/dbraw/zinc/16/59/84/174165984.db2.gz YRSNSWXOQDJBDB-UHFFFAOYSA-N 0 0 259.312 4.087 10 0 CIAERN COc1ccc(Nc2ccnc3c(F)cccc23)c(OC)c1 ZINC000039963718 174179516 /nfs/dbraw/zinc/17/95/16/174179516.db2.gz WLHDLGNAVLNWDF-UHFFFAOYSA-N 0 0 298.317 4.135 10 0 CIAERN CC(C)c1ccc(OCCn2cnc3ccccc32)cc1 ZINC000040223927 174207701 /nfs/dbraw/zinc/20/77/01/174207701.db2.gz DEDRJRUBGUGGCW-UHFFFAOYSA-N 0 0 280.371 4.239 10 0 CIAERN Cc1cc(C)c(Cn2c3ccccc3nc2[C@H](C)O)c(C)c1 ZINC000040224843 174208133 /nfs/dbraw/zinc/20/81/33/174208133.db2.gz RPAOZKDKBZSPLW-HNNXBMFYSA-N 0 0 294.398 4.063 10 0 CIAERN CC(C)c1nc2ccccc2n1CC(=O)c1ccccc1 ZINC000040231412 174209775 /nfs/dbraw/zinc/20/97/75/174209775.db2.gz KFKDXCPRRROCEY-UHFFFAOYSA-N 0 0 278.355 4.043 10 0 CIAERN Cc1ccccc1[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000040254237 174216066 /nfs/dbraw/zinc/21/60/66/174216066.db2.gz WFIZEVXHMSDXKX-QGZVFWFLSA-N 0 0 254.373 4.374 10 0 CIAERN CCOc1cc(Cl)c([C@@H](O)CC(C)C)cc1OCC ZINC000040259550 174216717 /nfs/dbraw/zinc/21/67/17/174216717.db2.gz BQNIZMZHVYQLCC-ZDUSSCGKSA-N 0 0 286.799 4.217 10 0 CIAERN CCC(C)(C)c1ccc([C@@H](O)COc2cccc(N)c2)cc1 ZINC000040352177 174245117 /nfs/dbraw/zinc/24/51/17/174245117.db2.gz JBDVPSCLWDJVCY-SFHVURJKSA-N 0 0 299.414 4.069 10 0 CIAERN c1coc(Cn2c(Cc3ccccc3)nc3ccccc32)c1 ZINC000040390280 174252467 /nfs/dbraw/zinc/25/24/67/174252467.db2.gz IHMWRSFJDWTNJG-UHFFFAOYSA-N 0 0 288.350 4.268 10 0 CIAERN OCCCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040402370 174253579 /nfs/dbraw/zinc/25/35/79/174253579.db2.gz XZDQISWIXVJTBB-UHFFFAOYSA-N 0 0 292.810 4.120 10 0 CIAERN CCc1ccc(N(C)c2nc(C)nc3ccccc32)cc1 ZINC000040406869 174254185 /nfs/dbraw/zinc/25/41/85/174254185.db2.gz ZXKCLECYMVGCNR-UHFFFAOYSA-N 0 0 277.371 4.269 10 0 CIAERN CCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409568 174254253 /nfs/dbraw/zinc/25/42/53/174254253.db2.gz DTICSWHUBFZTAR-UHFFFAOYSA-N 0 0 294.276 4.259 10 0 CIAERN Clc1cccc2nc(C3CC3)n(Cc3ccco3)c21 ZINC000040409775 174254404 /nfs/dbraw/zinc/25/44/04/174254404.db2.gz PJVZCDXYDHXQNO-UHFFFAOYSA-N 0 0 272.735 4.208 10 0 CIAERN Cn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040410305 174254636 /nfs/dbraw/zinc/25/46/36/174254636.db2.gz QNVCKBOLZBXCJW-UHFFFAOYSA-N 0 0 276.261 4.259 10 0 CIAERN Cc1ccccc1OCc1nc2ccc(Cl)cc2n1C ZINC000040417077 174256195 /nfs/dbraw/zinc/25/61/95/174256195.db2.gz RNMORQNHSFILHC-UHFFFAOYSA-N 0 0 286.762 4.114 10 0 CIAERN CC(C)c1nn2cc(-c3ccccc3Cl)nc2s1 ZINC000040963595 174440296 /nfs/dbraw/zinc/44/02/96/174440296.db2.gz USMMFPPBWMHNPV-UHFFFAOYSA-N 0 0 277.780 4.235 10 0 CIAERN CCCOC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000041012953 174449754 /nfs/dbraw/zinc/44/97/54/174449754.db2.gz QTJZADQGFGVJED-UHFFFAOYSA-N 0 0 294.351 4.216 10 0 CIAERN Cc1ccc2c(NC(=O)c3cccc(F)c3)ccnc2c1C ZINC000041057996 174465284 /nfs/dbraw/zinc/46/52/84/174465284.db2.gz NBLUEWRPNFXVNQ-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN COc1cc(C)c([C@@H]2Cc3ccccc3N2)cc1C ZINC000041323563 174520310 /nfs/dbraw/zinc/52/03/10/174520310.db2.gz ODDUIIZZDOTRJF-INIZCTEOSA-N 0 0 253.345 4.021 10 0 CIAERN Clc1ccccc1-c1ccc(Br)nc1 ZINC000041388461 174543164 /nfs/dbraw/zinc/54/31/64/174543164.db2.gz UWAGKNKBIAPYFE-UHFFFAOYSA-N 0 0 268.541 4.165 10 0 CIAERN O=Cc1ccccc1OCCCc1ccc(Cl)cc1 ZINC000041412188 174549330 /nfs/dbraw/zinc/54/93/30/174549330.db2.gz YVCUEVJVIZWTIP-UHFFFAOYSA-N 0 0 274.747 4.164 10 0 CIAERN Cc1ccc(OCCNc2cc(Cl)ccc2C)cc1 ZINC000041414035 174549700 /nfs/dbraw/zinc/54/97/00/174549700.db2.gz BRTPGVBOCQYWTE-UHFFFAOYSA-N 0 0 275.779 4.448 10 0 CIAERN FC(F)(F)c1ccccc1NCCOc1ccccc1 ZINC000041436775 174552691 /nfs/dbraw/zinc/55/26/91/174552691.db2.gz OLKDAPBVMPFMIV-UHFFFAOYSA-N 0 0 281.277 4.196 10 0 CIAERN OC[C@H](c1cccc(Br)c1)C1CCCCC1 ZINC000041440278 174553563 /nfs/dbraw/zinc/55/35/63/174553563.db2.gz WENMKCZEBNPXFK-AWEZNQCLSA-N 0 0 283.209 4.105 10 0 CIAERN OC[C@H](Cc1cccc(F)c1)Cc1c(F)cccc1Cl ZINC000041486870 174561581 /nfs/dbraw/zinc/56/15/81/174561581.db2.gz VIAQWEALFPAZLK-GFCCVEGCSA-N 0 0 296.744 4.012 10 0 CIAERN COc1ccccc1N[C@@H](c1cccs1)C1CC1 ZINC000042328174 174686461 /nfs/dbraw/zinc/68/64/61/174686461.db2.gz GGFNNCYHYSYRDE-OAHLLOKOSA-N 0 0 259.374 4.320 10 0 CIAERN Cc1ccc(F)cc1Nc1ccc(Br)cn1 ZINC000042376654 174703513 /nfs/dbraw/zinc/70/35/13/174703513.db2.gz VOFFGUJEVIOKEY-UHFFFAOYSA-N 0 0 281.128 4.035 10 0 CIAERN Fc1ccc(Sc2ncccc2Br)cc1 ZINC000042376543 174703669 /nfs/dbraw/zinc/70/36/69/174703669.db2.gz KVTRIGUAQBNMPT-UHFFFAOYSA-N 0 0 284.153 4.134 10 0 CIAERN S=c1[nH]c2cccc(Cl)c2n1CCc1ccco1 ZINC000042591840 174811902 /nfs/dbraw/zinc/81/19/02/174811902.db2.gz KPXUIFWWNUMVGZ-UHFFFAOYSA-N 0 0 278.764 4.188 10 0 CIAERN Cc1ccsc1C(=O)c1ccccc1C(F)(F)F ZINC000042728525 174858184 /nfs/dbraw/zinc/85/81/84/174858184.db2.gz RCLUANNJADOJQP-UHFFFAOYSA-N 0 0 270.275 4.306 10 0 CIAERN Cc1ccsc1-c1nnc(Cl)c2ccccc21 ZINC000042730757 174859254 /nfs/dbraw/zinc/85/92/54/174859254.db2.gz YELJEROXJIEYQA-UHFFFAOYSA-N 0 0 260.749 4.320 10 0 CIAERN O=[N+]([O-])/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000042905305 174907897 /nfs/dbraw/zinc/90/78/97/174907897.db2.gz WKLDWTOESVBCQO-BQYQJAHWSA-N 0 0 265.721 4.316 10 0 CIAERN COc1ccc(Cl)c(NCc2ccc(C)cc2)c1 ZINC000043316361 175005327 /nfs/dbraw/zinc/00/53/27/175005327.db2.gz MBBUDKWENUMQMM-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN CSc1ccccc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000043319185 175005804 /nfs/dbraw/zinc/00/58/04/175005804.db2.gz SBSWHOKLILONGA-LLVKDONJSA-N 0 0 290.388 4.193 10 0 CIAERN CC(C)C[C@@H](C)OCc1cc(Br)cs1 ZINC000043687577 175095028 /nfs/dbraw/zinc/09/50/28/175095028.db2.gz YCHZJTXVMGIZGH-SECBINFHSA-N 0 0 277.227 4.462 10 0 CIAERN O=C(c1ccc(C2CCCCC2)cc1)C(F)(F)F ZINC000043505038 175059308 /nfs/dbraw/zinc/05/93/08/175059308.db2.gz DCMBKSFSNOYCQB-UHFFFAOYSA-N 0 0 256.267 4.479 10 0 CIAERN CCc1ccc(C(=O)c2cc(C)sc2C)s1 ZINC000043639689 175084199 /nfs/dbraw/zinc/08/41/99/175084199.db2.gz IPIFMKIQKYRBQR-UHFFFAOYSA-N 0 0 250.388 4.220 10 0 CIAERN C[C@@H]1CCC(=O)[C@@H](Cc2ccc(Br)s2)C1 ZINC000043652066 175085556 /nfs/dbraw/zinc/08/55/56/175085556.db2.gz VYZMOXGHTKDYJY-RKDXNWHRSA-N 0 0 287.222 4.058 10 0 CIAERN Cc1ccc(NCc2sccc2Br)cc1 ZINC000043674787 175087930 /nfs/dbraw/zinc/08/79/30/175087930.db2.gz IBAYWFGAVQDCLZ-UHFFFAOYSA-N 0 0 282.206 4.431 10 0 CIAERN Brc1ccc(CN2CCc3ccccc32)s1 ZINC000043677588 175088727 /nfs/dbraw/zinc/08/87/27/175088727.db2.gz RKQXFUYJJBPHJJ-UHFFFAOYSA-N 0 0 294.217 4.073 10 0 CIAERN Brc1ccsc1COC1CCCCC1 ZINC000043679126 175089464 /nfs/dbraw/zinc/08/94/64/175089464.db2.gz BCALKOWLSASLBI-UHFFFAOYSA-N 0 0 275.211 4.360 10 0 CIAERN Brc1ccsc1COCc1cccs1 ZINC000043679992 175090688 /nfs/dbraw/zinc/09/06/88/175090688.db2.gz VCSNTUQPNIIXMW-UHFFFAOYSA-N 0 0 289.219 4.289 10 0 CIAERN Fc1cccc(OCc2cc(Br)cs2)c1 ZINC000043687543 175094980 /nfs/dbraw/zinc/09/49/80/175094980.db2.gz FZADABPUBKWHMA-UHFFFAOYSA-N 0 0 287.153 4.229 10 0 CIAERN COc1ccc(-c2csc(Br)c2)cc1 ZINC000044121041 175142504 /nfs/dbraw/zinc/14/25/04/175142504.db2.gz BVFUREANKFKCGS-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN CCc1ccc(-c2cccc(Br)n2)cc1 ZINC000044120290 175142996 /nfs/dbraw/zinc/14/29/96/175142996.db2.gz BZXGNWWZHLWWBV-UHFFFAOYSA-N 0 0 262.150 4.074 10 0 CIAERN Cc1ccsc1[C@H](O)c1ccc(Cl)cc1Cl ZINC000044375224 175168556 /nfs/dbraw/zinc/16/85/56/175168556.db2.gz IEJYIEJYZRXWRK-LLVKDONJSA-N 0 0 273.184 4.445 10 0 CIAERN C[C@@H](CCc1ccccc1)Nc1ccc(N)cc1Cl ZINC000044482495 175179916 /nfs/dbraw/zinc/17/99/16/175179916.db2.gz OGMPXIDOLYMQTQ-LBPRGKRZSA-N 0 0 274.795 4.355 10 0 CIAERN Cc1c(-c2ccccc2)sc(N)c1C(=O)OC(C)(C)C ZINC000045300385 175354938 /nfs/dbraw/zinc/35/49/38/175354938.db2.gz RUHLAOLIEGUBKZ-UHFFFAOYSA-N 0 0 289.400 4.261 10 0 CIAERN Cc1ccc2[nH]c(-c3ccccc3)c(Cl)c(=O)c2c1 ZINC000045817472 175384619 /nfs/dbraw/zinc/38/46/19/175384619.db2.gz DNSJZIKJLVCRQA-UHFFFAOYSA-N 0 0 269.731 4.157 10 0 CIAERN O=C1Nc2cc(Cl)ccc2S/C1=C\c1ccccc1 ZINC000049453149 175478767 /nfs/dbraw/zinc/47/87/67/175478767.db2.gz QEFNGVQANQWQAQ-ZSOIEALJSA-N 0 0 287.771 4.425 10 0 CIAERN CC(C)c1ccc(C(=O)Nc2c(N)cccc2Cl)cc1 ZINC000050352560 175515169 /nfs/dbraw/zinc/51/51/69/175515169.db2.gz POGUGTOEXURWBP-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN COc1cccc(CSc2ccc(C(C)=O)cc2)c1 ZINC000058018645 175605973 /nfs/dbraw/zinc/60/59/73/175605973.db2.gz LNJQJGHRBLDDCN-UHFFFAOYSA-N 0 0 272.369 4.190 10 0 CIAERN COc1ccc(-c2cccc(O)c2)cc1C(F)(F)F ZINC000065340163 175710240 /nfs/dbraw/zinc/71/02/40/175710240.db2.gz WOYMHZPPTVZJIG-UHFFFAOYSA-N 0 0 268.234 4.087 10 0 CIAERN COc1cc(-c2cc(Cl)cc(Cl)c2)ccc1O ZINC000065342792 175712520 /nfs/dbraw/zinc/71/25/20/175712520.db2.gz PBQXRDMSPQCOOD-UHFFFAOYSA-N 0 0 269.127 4.375 10 0 CIAERN Oc1cc(OC(F)(F)F)cc(-c2cc(F)cc(F)c2)c1 ZINC000065344128 175713654 /nfs/dbraw/zinc/71/36/54/175713654.db2.gz XMAPYQACKJZDRS-UHFFFAOYSA-N 0 0 290.187 4.236 10 0 CIAERN Cc1ccc(F)c(-c2cc(O)cc(OC(F)(F)F)c2)c1 ZINC000065344076 175713756 /nfs/dbraw/zinc/71/37/56/175713756.db2.gz UXMAYYIIPUZEHU-UHFFFAOYSA-N 0 0 286.224 4.405 10 0 CIAERN Cc1ccc(N(C)Cc2cc(Br)cs2)cc1 ZINC000071108720 176033883 /nfs/dbraw/zinc/03/38/83/176033883.db2.gz NYBWNBBOWNRRQK-UHFFFAOYSA-N 0 0 296.233 4.455 10 0 CIAERN Cc1ccc(Sc2ccc(Br)cn2)cc1 ZINC000071107964 176033984 /nfs/dbraw/zinc/03/39/84/176033984.db2.gz FPLMBLRDPSDDMH-UHFFFAOYSA-N 0 0 280.190 4.304 10 0 CIAERN CC(C)CCCOCc1cccc(Br)c1 ZINC000071109281 176034604 /nfs/dbraw/zinc/03/46/04/176034604.db2.gz LKCXZTKICNDYCW-UHFFFAOYSA-N 0 0 271.198 4.402 10 0 CIAERN Cc1c(Cl)nnc(SCc2ccccc2)c1C ZINC000071187203 176060709 /nfs/dbraw/zinc/06/07/09/176060709.db2.gz GBTZWZFBSJYJHQ-UHFFFAOYSA-N 0 0 264.781 4.039 10 0 CIAERN Cc1cc2c(n1[C@@H]1CCC[C@@H]1C)CC(C)(C)C[C@@H]2O ZINC000071209357 176081839 /nfs/dbraw/zinc/08/18/39/176081839.db2.gz YOXYLNKPPQXYBI-PEYYIBSZSA-N 0 0 261.409 4.163 10 0 CIAERN CC(C)c1nc2cc(N)ccc2n1[C@@H]1CCC[C@@H]1C ZINC000071209440 176082135 /nfs/dbraw/zinc/08/21/35/176082135.db2.gz GFVHEWFDAPTMMF-SMDDNHRTSA-N 0 0 257.381 4.103 10 0 CIAERN Cc1cccnc1CNc1ccccc1C(F)(F)F ZINC000071344320 176130765 /nfs/dbraw/zinc/13/07/65/176130765.db2.gz ANYWPUULNJKKBE-UHFFFAOYSA-N 0 0 266.266 4.021 10 0 CIAERN Nc1ccc(C(=O)c2ccc(Cl)c3ccccc23)cc1 ZINC000071453844 176177215 /nfs/dbraw/zinc/17/72/15/176177215.db2.gz YHACICIQXXJDOB-UHFFFAOYSA-N 0 0 281.742 4.306 10 0 CIAERN Nc1ccccc1C(=O)c1ccc(Cl)c2ccccc12 ZINC000071453842 176177247 /nfs/dbraw/zinc/17/72/47/176177247.db2.gz YXGDLXHUAPHRRC-UHFFFAOYSA-N 0 0 281.742 4.306 10 0 CIAERN C[C@@H](O)c1c2ccccc2n(Cc2ccccc2)c1Cl ZINC000071464937 176181170 /nfs/dbraw/zinc/18/11/70/176181170.db2.gz IKQFYXUYJRYFNH-GFCCVEGCSA-N 0 0 285.774 4.396 10 0 CIAERN O=Cc1c(Cl)n(Cc2ccccc2)c2ccc(F)cc12 ZINC000071465425 176181371 /nfs/dbraw/zinc/18/13/71/176181371.db2.gz UILVQPLOKHZRBW-UHFFFAOYSA-N 0 0 287.721 4.295 10 0 CIAERN CCc1cnn2c1nc(Cl)c(-c1ccccc1)c2Cl ZINC000071476320 176186985 /nfs/dbraw/zinc/18/69/85/176186985.db2.gz XSHSOTWILHHMKH-UHFFFAOYSA-N 0 0 292.169 4.266 10 0 CIAERN Clc1ccccc1-c1cncc(Br)c1 ZINC000071624587 176235496 /nfs/dbraw/zinc/23/54/96/176235496.db2.gz ZEAGJAPOXBXKDE-UHFFFAOYSA-N 0 0 268.541 4.165 10 0 CIAERN CC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 ZINC000071642699 176239473 /nfs/dbraw/zinc/23/94/73/176239473.db2.gz DFOPNUNTHPRGFJ-UHFFFAOYSA-N 0 0 286.183 4.243 10 0 CIAERN Cc1cccc(C(C)C)c1NC(=O)C(C)(C)Br ZINC000071652442 176241520 /nfs/dbraw/zinc/24/15/20/176241520.db2.gz HYNCZMUYMAIHPQ-UHFFFAOYSA-N 0 0 298.224 4.230 10 0 CIAERN C[C@H](N(C)c1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000071791801 176263203 /nfs/dbraw/zinc/26/32/03/176263203.db2.gz LOZQBZVOKNNJEE-IILDEKEXSA-N 0 0 270.420 4.123 10 0 CIAERN Brc1ccc(C2CC2)cc1Br ZINC000072193339 176336605 /nfs/dbraw/zinc/33/66/05/176336605.db2.gz NPAJEWLZHGVQHN-UHFFFAOYSA-N 0 0 275.971 4.089 10 0 CIAERN FC(F)(F)c1cc(Br)ccc1C1CC1 ZINC000072193334 176336737 /nfs/dbraw/zinc/33/67/37/176336737.db2.gz MCPUCCPUDWYBFM-UHFFFAOYSA-N 0 0 265.072 4.345 10 0 CIAERN CC1(C)C=C(C(F)(F)F)c2cc(Cl)c(O)cc2O1 ZINC000072232955 176344322 /nfs/dbraw/zinc/34/43/22/176344322.db2.gz JYABVRBSMCREDC-UHFFFAOYSA-N 0 0 278.657 4.162 10 0 CIAERN COc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000073638694 176480720 /nfs/dbraw/zinc/48/07/20/176480720.db2.gz YVOACJLHARUJBQ-UHFFFAOYSA-N 0 0 273.719 4.081 10 0 CIAERN Cc1ccccc1C=C(Br)Br ZINC000075421015 176702881 /nfs/dbraw/zinc/70/28/81/176702881.db2.gz YGNQPMGHMBCLOA-UHFFFAOYSA-N 0 0 275.971 4.083 10 0 CIAERN Cc1cc(Br)cc(-c2nccs2)c1F ZINC000075899200 176817052 /nfs/dbraw/zinc/81/70/52/176817052.db2.gz SKFNQJPIUJYMPX-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN CC(C)c1ccc2nccc(Br)c2c1 ZINC000077255345 177244764 /nfs/dbraw/zinc/24/47/64/177244764.db2.gz PAFQLODVRMZDPF-UHFFFAOYSA-N 0 0 250.139 4.121 10 0 CIAERN CC(C)(C)c1ccc2nccc(Br)c2c1 ZINC000077255350 177244852 /nfs/dbraw/zinc/24/48/52/177244852.db2.gz ZMZNPSHWXKZIBI-UHFFFAOYSA-N 0 0 264.166 4.295 10 0 CIAERN Clc1sccc1NCc1ccc(Br)o1 ZINC000191621383 227077324 /nfs/dbraw/zinc/07/73/24/227077324.db2.gz ALPZWDZQFOPYOS-UHFFFAOYSA-N 0 0 292.585 4.369 10 0 CIAERN Fc1ccc([C@H]2C[C@@H]2c2nc(C3CCCC3)no2)cc1F ZINC000171793945 335080458 /nfs/dbraw/zinc/08/04/58/335080458.db2.gz YRYPMHIFSKTVIQ-NEPJUHHUSA-N 0 0 290.313 4.277 10 0 CIAERN CS[C@@H](C)c1cccc(Nc2ccc3nccnc3n2)c1 ZINC000301232292 227483238 /nfs/dbraw/zinc/48/32/38/227483238.db2.gz KBCIQGOQAUWRCP-NSHDSACASA-N 0 0 296.399 4.192 10 0 CIAERN Clc1nc(N2C[C@@H]3CC=CC[C@@H]3C2)cc2ccccc21 ZINC000301440893 227539222 /nfs/dbraw/zinc/53/92/22/227539222.db2.gz UFYQSEBCFDSFFW-OKILXGFUSA-N 0 0 284.790 4.291 10 0 CIAERN CO[C@H]1CCC[C@@H](Nc2nc(-c3ccccc3)cs2)C1 ZINC000301755886 227666283 /nfs/dbraw/zinc/66/62/83/227666283.db2.gz DFPYRPYIBOABCD-KGLIPLIRSA-N 0 0 288.416 4.180 10 0 CIAERN CCc1nsc(N[C@H](c2cccs2)C(C)(C)C)n1 ZINC000301952617 227740082 /nfs/dbraw/zinc/74/00/82/227740082.db2.gz ISBGTDDSZYTSSS-LLVKDONJSA-N 0 0 281.450 4.361 10 0 CIAERN Cc1ccncc1-c1noc([C@H]2C[C@H]2C2CCCCC2)n1 ZINC000333168814 228192050 /nfs/dbraw/zinc/19/20/50/228192050.db2.gz JVPZQMNFCLHWLT-KBPBESRZSA-N 0 0 283.375 4.124 10 0 CIAERN CC[C@H](Nc1cn(C)nc1C(C)C)c1ccccc1F ZINC000312828094 260208839 /nfs/dbraw/zinc/20/88/39/260208839.db2.gz TYVLGQSHZJXPPR-AWEZNQCLSA-N 0 0 275.371 4.246 10 0 CIAERN CCn1cccc1CNc1ccc2oc(C3CC3)nc2c1 ZINC000091023901 260265359 /nfs/dbraw/zinc/26/53/59/260265359.db2.gz ZJPZZGUAZDGEOO-UHFFFAOYSA-N 0 0 281.359 4.139 10 0 CIAERN Cc1cccc(Cl)c1NC(=O)c1ccc2cc[nH]c2c1 ZINC000090567373 260370396 /nfs/dbraw/zinc/37/03/96/260370396.db2.gz MBPGODIFHHNOBH-UHFFFAOYSA-N 0 0 284.746 4.382 10 0 CIAERN CC[C@H](NC(=O)c1ccc(C)cc1F)c1ccccc1 ZINC000094196080 260391993 /nfs/dbraw/zinc/39/19/93/260391993.db2.gz HBPQYKLZGAJPOB-INIZCTEOSA-N 0 0 271.335 4.015 10 0 CIAERN CCCc1nsc(N[C@H](CC)c2ccccc2)n1 ZINC000087641628 260413246 /nfs/dbraw/zinc/41/32/46/260413246.db2.gz IOLCERDKHABHOL-GFCCVEGCSA-N 0 0 261.394 4.054 10 0 CIAERN CCc1nnc(CS[C@@H](C)c2cccc(Cl)c2)n1C ZINC000091029147 260471560 /nfs/dbraw/zinc/47/15/60/260471560.db2.gz DXZQGSLYDCCEKE-JTQLQIEISA-N 0 0 295.839 4.025 10 0 CIAERN C[C@H](Nc1cccc2c1CCCC2)c1ccc(F)cn1 ZINC000147587710 260741077 /nfs/dbraw/zinc/74/10/77/260741077.db2.gz DSKSPPNPJFDDTB-LBPRGKRZSA-N 0 0 270.351 4.273 10 0 CIAERN C[C@@H](NCc1noc(C2CC2)n1)c1ccc(C(C)(C)C)cc1 ZINC000154399268 261091061 /nfs/dbraw/zinc/09/10/61/261091061.db2.gz JNKWJRHJJDXGSX-GFCCVEGCSA-N 0 0 299.418 4.095 10 0 CIAERN C[C@@H](Nc1ccc2ccccc2n1)c1cccc(O)c1 ZINC000174719423 261194195 /nfs/dbraw/zinc/19/41/95/261194195.db2.gz RGKKTUKCOARICX-GFCCVEGCSA-N 0 0 264.328 4.114 10 0 CIAERN Cc1cccc(CSCc2nccn2C(C)C)c1 ZINC000175275041 261218413 /nfs/dbraw/zinc/21/84/13/261218413.db2.gz WZGAUHBSIHUWMY-UHFFFAOYSA-N 0 0 260.406 4.206 10 0 CIAERN FC(F)(F)CCCCNc1cc(Cl)nc(C2CC2)n1 ZINC000149783540 261266343 /nfs/dbraw/zinc/26/63/43/261266343.db2.gz IYPHHACSZGXDDF-UHFFFAOYSA-N 0 0 293.720 4.152 10 0 CIAERN Cc1ccc(N[C@H](C)c2cncs2)cc1Br ZINC000163046308 261303583 /nfs/dbraw/zinc/30/35/83/261303583.db2.gz YIZFGGRWCCDEKX-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN Cc1ccc(Br)c(N[C@@H](C)c2cncs2)c1 ZINC000163064599 261304833 /nfs/dbraw/zinc/30/48/33/261304833.db2.gz XAWZDILHXGADCQ-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN CC(C)c1ccc([C@@H](C)NC(=O)CCc2ccoc2)cc1 ZINC000177065119 261328430 /nfs/dbraw/zinc/32/84/30/261328430.db2.gz RHEXWVMOAATHNX-CQSZACIVSA-N 0 0 285.387 4.213 10 0 CIAERN CC(C)c1ccc([C@H](C)NC(=O)CCc2ccoc2)cc1 ZINC000177065138 261328590 /nfs/dbraw/zinc/32/85/90/261328590.db2.gz RHEXWVMOAATHNX-AWEZNQCLSA-N 0 0 285.387 4.213 10 0 CIAERN C[C@@H](CNc1ccnc(Cl)c1)c1cccs1 ZINC000301633283 261339432 /nfs/dbraw/zinc/33/94/32/261339432.db2.gz KBJRHCRGLRJRER-VIFPVBQESA-N 0 0 252.770 4.012 10 0 CIAERN CC(C)Oc1ccc(N[C@H](C)c2cncs2)cc1 ZINC000165056370 261364398 /nfs/dbraw/zinc/36/43/98/261364398.db2.gz UAWGLKZKKKBLJY-LLVKDONJSA-N 0 0 262.378 4.103 10 0 CIAERN Cc1cccc([C@@H](C)SCc2nnc(C(C)C)n2C)c1 ZINC000182356203 261935355 /nfs/dbraw/zinc/93/53/55/261935355.db2.gz ICXHNMPJOKMQGS-CYBMUJFWSA-N 0 0 289.448 4.241 10 0 CIAERN CC(C)c1ccc([C@H](C)NC(=O)c2cnn(C(C)C)c2)cc1 ZINC000188580580 262319871 /nfs/dbraw/zinc/31/98/71/262319871.db2.gz JIZWCRUOVPPERD-AWEZNQCLSA-N 0 0 299.418 4.078 10 0 CIAERN CC(C)c1ccc([C@H](C)NCc2c(Cl)cnn2C)cc1 ZINC000188988073 264261530 /nfs/dbraw/zinc/26/15/30/264261530.db2.gz WLHLLVXOPKGDCP-LBPRGKRZSA-N 0 0 291.826 4.048 10 0 CIAERN Clc1cc(N[C@H]2CCCc3ccccc32)ccn1 ZINC000129655067 264329897 /nfs/dbraw/zinc/32/98/97/264329897.db2.gz VEIHXTSRISGRIE-AWEZNQCLSA-N 0 0 258.752 4.225 10 0 CIAERN C[C@@H](O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1Cl ZINC000094654883 265248899 /nfs/dbraw/zinc/24/88/99/265248899.db2.gz SZIDRBNPQXTWQZ-VXGBXAGGSA-N 0 0 276.763 4.155 10 0 CIAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c(F)c2)c(F)c1 ZINC000094820587 265258163 /nfs/dbraw/zinc/25/81/63/265258163.db2.gz VOUBTUVQNCYARF-GFCCVEGCSA-N 0 0 289.325 4.073 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000094854158 265262202 /nfs/dbraw/zinc/26/22/02/265262202.db2.gz VPTLXRFTNFSLQZ-SECBINFHSA-N 0 0 281.277 4.286 10 0 CIAERN O=C(c1cccc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116211367 267133484 /nfs/dbraw/zinc/13/34/84/267133484.db2.gz AIOCWWKSFKNBPO-KRWDZBQOSA-N 0 0 291.350 4.410 10 0 CIAERN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccco1 ZINC000116477632 267152841 /nfs/dbraw/zinc/15/28/41/267152841.db2.gz FTHDIWZMTFHPEV-INIZCTEOSA-N 0 0 296.370 4.137 10 0 CIAERN Cc1cc(NC(=O)N2CCC[C@H]2c2ccco2)ccc1F ZINC000116498405 267154025 /nfs/dbraw/zinc/15/40/25/267154025.db2.gz LGORTFUOXOPHFI-AWEZNQCLSA-N 0 0 288.322 4.096 10 0 CIAERN Fc1ccc(CN2CCCC[C@@H]2c2nccs2)c(F)c1 ZINC000120341533 267433497 /nfs/dbraw/zinc/43/34/97/267433497.db2.gz JDGWBTWCWNEVLO-CQSZACIVSA-N 0 0 294.370 4.149 10 0 CIAERN Cc1cnccc1NC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000120383595 267436513 /nfs/dbraw/zinc/43/65/13/267436513.db2.gz QHUDGEGNPORANR-SJCJKPOMSA-N 0 0 295.386 4.150 10 0 CIAERN COc1ccc(CSCc2nccn2C(C)C)cc1F ZINC000175273562 327780658 /nfs/dbraw/zinc/78/06/58/327780658.db2.gz QLVBXIMQUDYCOZ-UHFFFAOYSA-N 0 0 294.395 4.045 10 0 CIAERN Cc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1F ZINC000063060407 327918998 /nfs/dbraw/zinc/91/89/98/327918998.db2.gz OSARGSAJMYJFPI-LLVKDONJSA-N 0 0 291.753 4.279 10 0 CIAERN CCOc1cccc(NC(=O)N[C@H](C)c2cccs2)c1 ZINC000048118605 328043074 /nfs/dbraw/zinc/04/30/74/328043074.db2.gz YLUNEVIVLPVMIK-LLVKDONJSA-N 0 0 290.388 4.030 10 0 CIAERN C[C@@H](NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000048777458 328320476 /nfs/dbraw/zinc/32/04/76/328320476.db2.gz XYOLHSMZCDQRFS-LLVKDONJSA-N 0 0 285.778 4.067 10 0 CIAERN CC[C@@H](C)c1noc(-c2cc3ccccc3cc2O)n1 ZINC000111686656 328374504 /nfs/dbraw/zinc/37/45/04/328374504.db2.gz ZCEUYOGBFHNAEC-SNVBAGLBSA-N 0 0 268.316 4.109 10 0 CIAERN Cc1ccc(-c2nc([C@@H]3CCC[C@H](C)C3)no2)c(O)c1 ZINC000111689040 328375045 /nfs/dbraw/zinc/37/50/45/328375045.db2.gz SFOAKBQXMACMQH-CMPLNLGQSA-N 0 0 272.348 4.044 10 0 CIAERN CC[C@H](Nc1nc2ccccc2o1)c1ccccc1 ZINC000050197660 328391262 /nfs/dbraw/zinc/39/12/62/328391262.db2.gz TYXGLTYBKNSSCJ-ZDUSSCGKSA-N 0 0 252.317 4.391 10 0 CIAERN Cc1cc(NC(=O)N[C@H](C)c2ccc3ccccc3c2)no1 ZINC000053246541 326933557 /nfs/dbraw/zinc/93/35/57/326933557.db2.gz WCSWMNVDVJUDRR-GFCCVEGCSA-N 0 0 295.342 4.019 10 0 CIAERN CC[C@H](Nc1cn(C)nc1C(C)C)c1ccsc1 ZINC000394258354 327087873 /nfs/dbraw/zinc/08/78/73/327087873.db2.gz JEFDFZJFHSBRCN-LBPRGKRZSA-N 0 0 263.410 4.168 10 0 CIAERN Cc1nscc1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000181717823 327213059 /nfs/dbraw/zinc/21/30/59/327213059.db2.gz LNWJHSWEEPQDSQ-LLVKDONJSA-N 0 0 288.416 4.066 10 0 CIAERN Fc1ccc(Br)cc1-c1ccccc1 ZINC000199142324 327418980 /nfs/dbraw/zinc/41/89/80/327418980.db2.gz BQAIYMUEKIDCRB-UHFFFAOYSA-N 0 0 251.098 4.255 10 0 CIAERN C[C@@H](NC(=O)c1cccc(C(F)F)c1)c1cccs1 ZINC000171521772 327424877 /nfs/dbraw/zinc/42/48/77/327424877.db2.gz MYIKQKCSUHGBCC-SECBINFHSA-N 0 0 281.327 4.177 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cc(C)ccc2F)c(C)c1 ZINC000053004370 328658710 /nfs/dbraw/zinc/65/87/10/328658710.db2.gz ZDLDOLHMGQXQAD-AWEZNQCLSA-N 0 0 285.362 4.242 10 0 CIAERN CCc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2F)cc1 ZINC000053007631 328658950 /nfs/dbraw/zinc/65/89/50/328658950.db2.gz DSUWNNXNGJZGAE-CYBMUJFWSA-N 0 0 285.362 4.188 10 0 CIAERN Cc1ccc(CNc2nc3cc(Cl)ccc3s2)o1 ZINC000053040724 328659508 /nfs/dbraw/zinc/65/95/08/328659508.db2.gz QCBWNMCEOWBXSB-UHFFFAOYSA-N 0 0 278.764 4.463 10 0 CIAERN c1ccc2c(c1)CC[C@H]2Nc1ccc2ncccc2c1 ZINC000054107914 328686416 /nfs/dbraw/zinc/68/64/16/328686416.db2.gz NFUTVBCAZUYERI-GOSISDBHSA-N 0 0 260.340 4.334 10 0 CIAERN CC(C)(C)CCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116039024 328933753 /nfs/dbraw/zinc/93/37/53/328933753.db2.gz IQRBPINNKIMRNP-ZDUSSCGKSA-N 0 0 263.381 4.160 10 0 CIAERN CSc1ccc(CNc2cscc2C)s1 ZINC000389905719 328961795 /nfs/dbraw/zinc/96/17/95/328961795.db2.gz GVCQSTUDDYLJRI-UHFFFAOYSA-N 0 0 255.433 4.452 10 0 CIAERN Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)cs1 ZINC000170497137 329068652 /nfs/dbraw/zinc/06/86/52/329068652.db2.gz JPIMQYPWSJXDDI-LLVKDONJSA-N 0 0 288.416 4.066 10 0 CIAERN CCCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000173748596 329148257 /nfs/dbraw/zinc/14/82/57/329148257.db2.gz UYMSZKSOZODLJO-GDBMZVCRSA-N 0 0 291.439 4.070 10 0 CIAERN Cc1cc(C)n(-c2cccc(N[C@H](C)c3ccccn3)c2)n1 ZINC000179612737 329210570 /nfs/dbraw/zinc/21/05/70/329210570.db2.gz XSRPHHJMPODNJE-OAHLLOKOSA-N 0 0 292.386 4.057 10 0 CIAERN C[C@@H](Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccccn1 ZINC000179620894 329210758 /nfs/dbraw/zinc/21/07/58/329210758.db2.gz KVQVWZBKLWXHRC-GFCCVEGCSA-N 0 0 298.777 4.094 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2Cc2cnn(C(C)C)c2)o1 ZINC000179696119 329211490 /nfs/dbraw/zinc/21/14/90/329211490.db2.gz VEJFBOQHLNVOJL-INIZCTEOSA-N 0 0 287.407 4.093 10 0 CIAERN Cc1csc([C@H](C)NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000183742490 329250064 /nfs/dbraw/zinc/25/00/64/329250064.db2.gz QTTFSVSZPPVOSD-WCFLWFBJSA-N 0 0 294.464 4.091 10 0 CIAERN Clc1ccsc1CN[C@H]1CCOc2ccccc21 ZINC000192981277 329437973 /nfs/dbraw/zinc/43/79/73/329437973.db2.gz PQLBFMXDTIPYSS-LBPRGKRZSA-N 0 0 279.792 4.015 10 0 CIAERN Fc1cc(F)cc(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000127621585 329601274 /nfs/dbraw/zinc/60/12/74/329601274.db2.gz JXOJWYHHHXJAGU-CQSZACIVSA-N 0 0 294.370 4.149 10 0 CIAERN C[C@H]1C[C@H](CC[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)C[C@@H](C)C1 ZINC000263176729 330047444 /nfs/dbraw/zinc/04/74/44/330047444.db2.gz STTWYUUHQIMDGX-VVLHAWIVSA-N 0 0 295.467 4.026 10 0 CIAERN C[C@@H]1CC[C@H](NC(=O)Cc2ccsc2)c2ccccc21 ZINC000162782326 330116743 /nfs/dbraw/zinc/11/67/43/330116743.db2.gz SFBWZPBXQSBYHC-WBMJQRKESA-N 0 0 285.412 4.045 10 0 CIAERN CCC(=O)c1cccc(-c2ccc3c(c2)CCOC3)c1 ZINC000527589796 330264701 /nfs/dbraw/zinc/26/47/01/330264701.db2.gz UKRCVXDHZZOAQT-UHFFFAOYSA-N 0 0 266.340 4.019 10 0 CIAERN Cc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000044296235 330327214 /nfs/dbraw/zinc/32/72/14/330327214.db2.gz DBVHDBZQOYXFSB-SECBINFHSA-N 0 0 285.174 4.141 10 0 CIAERN C[C@@H](Nc1nc(C2CC2)ns1)c1ccc(Cl)s1 ZINC000087641159 330373863 /nfs/dbraw/zinc/37/38/63/330373863.db2.gz TYGMPGXMXGIRQQ-ZCFIWIBFSA-N 0 0 285.825 4.304 10 0 CIAERN C[C@@H](NC(=O)C(C1CC1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000119617181 330377519 /nfs/dbraw/zinc/37/75/19/330377519.db2.gz CNXOOBQATMYHFE-SECBINFHSA-N 0 0 295.785 4.093 10 0 CIAERN Cc1ccc([C@H]([NH2+][C@H](C)CCCO)c2ccccc2)c(C)c1 ZINC000119646934 330378216 /nfs/dbraw/zinc/37/82/16/330378216.db2.gz GKZWTVKIJUZGML-YLJYHZDGSA-N 0 0 297.442 4.143 10 0 CIAERN Fc1ccc(-c2cc(Br)cs2)cc1 ZINC000096918644 330381716 /nfs/dbraw/zinc/38/17/16/330381716.db2.gz MWERBEBOGAOOME-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN Fc1ccc(F)c2[nH]c(-c3ccccc3Cl)nc21 ZINC000536952655 330382632 /nfs/dbraw/zinc/38/26/32/330382632.db2.gz DEMJAZFUFHTDSC-UHFFFAOYSA-N 0 0 264.662 4.162 10 0 CIAERN O=Cc1ccc(F)c(-c2c(F)cccc2Br)c1 ZINC000536956912 330383334 /nfs/dbraw/zinc/38/33/34/330383334.db2.gz BFFKOCOUFVJOIE-UHFFFAOYSA-N 0 0 297.098 4.207 10 0 CIAERN O=C(Nc1cccc(Cl)c1F)c1ccc2cc[nH]c2c1 ZINC000059006197 330395079 /nfs/dbraw/zinc/39/50/79/330395079.db2.gz IOBSUJHWICSWIO-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN CC(C)(C)c1csc(CN2CCC[C@@H]2c2ccco2)n1 ZINC000121166457 330396940 /nfs/dbraw/zinc/39/69/40/330396940.db2.gz KPQBLKQQOYTMLK-GFCCVEGCSA-N 0 0 290.432 4.371 10 0 CIAERN CC(C)N(C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000121296681 330399287 /nfs/dbraw/zinc/39/92/87/330399287.db2.gz YOYDOYNDFMPELN-HNNXBMFYSA-N 0 0 296.414 4.464 10 0 CIAERN CC[C@H]1CC[C@@H](Nc2cccc(NC(=O)C(C)C)c2)C1 ZINC000083828951 330483074 /nfs/dbraw/zinc/48/30/74/330483074.db2.gz NTXWBNMSFQBVKJ-XJKSGUPXSA-N 0 0 274.408 4.272 10 0 CIAERN CC(C)[C@@H](C)NC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000084515996 330486199 /nfs/dbraw/zinc/48/61/99/330486199.db2.gz CTDHPWPTVWYVKH-UONOGXRCSA-N 0 0 269.388 4.104 10 0 CIAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1cncs1 ZINC000162994134 330973669 /nfs/dbraw/zinc/97/36/69/330973669.db2.gz BAOWEBIEZZSOPS-ZETCQYMHSA-N 0 0 256.733 4.109 10 0 CIAERN Cc1ccc(N[C@@H]2CCCc3c4ccccc4[nH]c32)cn1 ZINC000164695609 331287247 /nfs/dbraw/zinc/28/72/47/331287247.db2.gz PQFXMEPBXZJPEU-QGZVFWFLSA-N 0 0 277.371 4.361 10 0 CIAERN C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1cncs1 ZINC000164964827 331305419 /nfs/dbraw/zinc/30/54/19/331305419.db2.gz IXPWTDOMXVHLGN-QMMMGPOBSA-N 0 0 288.294 4.215 10 0 CIAERN C[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccs1 ZINC000172088831 335093930 /nfs/dbraw/zinc/09/39/30/335093930.db2.gz KGFKELQZVGUSNI-RYUDHWBXSA-N 0 0 265.422 4.142 10 0 CIAERN O=C(c1cccc(C(F)F)c1)N1CCC[C@@H]1c1ccco1 ZINC000172241635 335098560 /nfs/dbraw/zinc/09/85/60/335098560.db2.gz MACPNRLENCWEPP-CYBMUJFWSA-N 0 0 291.297 4.195 10 0 CIAERN Cc1ccc(CCCC(=O)N[C@@H](C)c2cccs2)s1 ZINC000175533547 333026478 /nfs/dbraw/zinc/02/64/78/333026478.db2.gz FAWQFPKNYUKQLU-LBPRGKRZSA-N 0 0 293.457 4.318 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)C(C)C)o1 ZINC000172669306 335117195 /nfs/dbraw/zinc/11/71/95/335117195.db2.gz GFBNQPVGUYJMJC-DZGCQCFKSA-N 0 0 277.408 4.188 10 0 CIAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc2ccccc2c1 ZINC000176524472 333042928 /nfs/dbraw/zinc/04/29/28/333042928.db2.gz XXNHYDVBNDDNKD-RZAIGCCYSA-N 0 0 279.383 4.063 10 0 CIAERN C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)C1CC1 ZINC000309733655 333048148 /nfs/dbraw/zinc/04/81/48/333048148.db2.gz BSVFXXVPQPWJSS-SSDOTTSWSA-N 0 0 262.155 4.021 10 0 CIAERN C[C@@H](NC(=O)CCc1ccoc1)c1ccc2ccccc2c1 ZINC000177064920 333053221 /nfs/dbraw/zinc/05/32/21/333053221.db2.gz PJJNPRQUPZBFFA-CQSZACIVSA-N 0 0 293.366 4.243 10 0 CIAERN CCC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccs2)C1 ZINC000177125864 333053792 /nfs/dbraw/zinc/05/37/92/333053792.db2.gz MWVNUPBKUSJCKY-CHWSQXEVSA-N 0 0 280.437 4.031 10 0 CIAERN CCC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccs2)C1 ZINC000177125849 333053883 /nfs/dbraw/zinc/05/38/83/333053883.db2.gz MWVNUPBKUSJCKY-STQMWFEESA-N 0 0 280.437 4.031 10 0 CIAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@H](C)C2CC2)cc1 ZINC000178387733 333071967 /nfs/dbraw/zinc/07/19/67/333071967.db2.gz FTCBFOQPCKWAQW-CHWSQXEVSA-N 0 0 259.393 4.033 10 0 CIAERN Cc1cccc2c(Oc3c(F)cccc3F)ncnc12 ZINC000178412552 333072493 /nfs/dbraw/zinc/07/24/93/333072493.db2.gz IZTOXQGMIGVWJI-UHFFFAOYSA-N 0 0 272.254 4.009 10 0 CIAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C(C)(C)C)cc1 ZINC000087406437 333083597 /nfs/dbraw/zinc/08/35/97/333083597.db2.gz GVWQXOVBJGKUKR-GFCCVEGCSA-N 0 0 271.408 4.199 10 0 CIAERN Cc1conc1NCc1cc(C(F)(F)F)ccc1Cl ZINC000184041114 333124672 /nfs/dbraw/zinc/12/46/72/333124672.db2.gz BIHPNSODLADAOU-UHFFFAOYSA-N 0 0 290.672 4.267 10 0 CIAERN C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000185876308 333150972 /nfs/dbraw/zinc/15/09/72/333150972.db2.gz DGYNKBYFUJBESN-FVCCEPFGSA-N 0 0 291.357 4.050 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2CCC[C@@H]2C)o1 ZINC000185960719 333152398 /nfs/dbraw/zinc/15/23/98/333152398.db2.gz WBBUZPCFWFBYGR-IMJJTQAJSA-N 0 0 289.419 4.468 10 0 CIAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000220928211 333170957 /nfs/dbraw/zinc/17/09/57/333170957.db2.gz JAIPAKHUBMFZAP-UONOGXRCSA-N 0 0 258.365 4.012 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)o2)c(C)c1 ZINC000220965311 333171348 /nfs/dbraw/zinc/17/13/48/333171348.db2.gz ZDGWEDHNIXHYPI-LLVKDONJSA-N 0 0 277.751 4.041 10 0 CIAERN CCN(C(=O)[C@@H]1CCCO[C@H]1C)c1cccc2ccccc21 ZINC000190664703 333209402 /nfs/dbraw/zinc/20/94/02/333209402.db2.gz JNENZHKWUHMILW-GOEBONIOSA-N 0 0 297.398 4.008 10 0 CIAERN C[C@@H]1CC[C@@H](NC(=O)c2ccoc2Cl)c2ccccc21 ZINC000192346033 333234708 /nfs/dbraw/zinc/23/47/08/333234708.db2.gz CKHGNKJTVTYSGZ-QMTHXVAHSA-N 0 0 289.762 4.301 10 0 CIAERN CC(C)c1cnc(NC(=O)N[C@@H](C)c2cccs2)s1 ZINC000192387657 333235255 /nfs/dbraw/zinc/23/52/55/333235255.db2.gz MGAVHOYBIUFXGE-VIFPVBQESA-N 0 0 295.433 4.211 10 0 CIAERN Cc1c(Cl)cccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000192557702 333236392 /nfs/dbraw/zinc/23/63/92/333236392.db2.gz DWXKFXNILGMYDW-CQSZACIVSA-N 0 0 289.762 4.219 10 0 CIAERN C[C@@H](NC(=O)[C@H]1CCCCC1(C)C)c1cccs1 ZINC000194163061 333266845 /nfs/dbraw/zinc/26/68/45/333266845.db2.gz OVCGDFLQXUKFFF-VXGBXAGGSA-N 0 0 265.422 4.142 10 0 CIAERN CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2)[C@H]2CCCO[C@H]21 ZINC000227076643 333275546 /nfs/dbraw/zinc/27/55/46/333275546.db2.gz SDTQGTZZOPJURB-MGPQQGTHSA-N 0 0 299.336 4.321 10 0 CIAERN Clc1cc(N2CCC[C@@H]3CCCC[C@H]32)nc(C2CC2)n1 ZINC000227449321 333282939 /nfs/dbraw/zinc/28/29/39/333282939.db2.gz YIUZUSGLYJYIJH-WCQYABFASA-N 0 0 291.826 4.166 10 0 CIAERN Cc1cnc([C@@H](C)NCc2ccc(C(C)(C)C)s2)o1 ZINC000227556456 333285806 /nfs/dbraw/zinc/28/58/06/333285806.db2.gz CBSIKXWYEFAIKR-LLVKDONJSA-N 0 0 278.421 4.193 10 0 CIAERN Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C)c(Br)c1 ZINC000230042401 333312565 /nfs/dbraw/zinc/31/25/65/333312565.db2.gz BCKVMZJDZJEWOJ-MNOVXSKESA-N 0 0 296.208 4.132 10 0 CIAERN Cc1ccc(Br)c(NC(=O)[C@H]2CCC[C@H]2C)c1 ZINC000230063757 333312764 /nfs/dbraw/zinc/31/27/64/333312764.db2.gz BHHPDPZXNLLFKB-MNOVXSKESA-N 0 0 296.208 4.132 10 0 CIAERN COc1cc(N[C@@H](C)Cc2ccc(O)cc2)ccc1Cl ZINC000232198884 333334758 /nfs/dbraw/zinc/33/47/58/333334758.db2.gz VETCPJWRVKQHJM-NSHDSACASA-N 0 0 291.778 4.097 10 0 CIAERN CCC[C@@H]1C[C@H]1N[C@@H](c1ccccc1)C(F)(F)F ZINC000233309539 333351170 /nfs/dbraw/zinc/35/11/70/333351170.db2.gz CQXZOYPHBWNZES-UPJWGTAASA-N 0 0 257.299 4.068 10 0 CIAERN CCc1ccc([C@@H](C)NCc2ncccc2Cl)cc1 ZINC000528430562 333436876 /nfs/dbraw/zinc/43/68/76/333436876.db2.gz JIJDJQKHJXGFGT-GFCCVEGCSA-N 0 0 274.795 4.148 10 0 CIAERN C[C@@H](NCc1ncccc1Cl)c1ccc(Cl)s1 ZINC000528445521 333438342 /nfs/dbraw/zinc/43/83/42/333438342.db2.gz ZVHTXUJCVDTBJH-MRVPVSSYSA-N 0 0 287.215 4.301 10 0 CIAERN C[C@@H]1C[C@@H](Nc2cccc(C(=O)N(C)C)c2)CC(C)(C)C1 ZINC000037084473 333477014 /nfs/dbraw/zinc/47/70/14/333477014.db2.gz RUPSFLMYQUBYJT-CZUORRHYSA-N 0 0 288.435 4.015 10 0 CIAERN Cc1ccc([C@H](C)NCc2cc(Cl)ccc2F)o1 ZINC000125117721 333564053 /nfs/dbraw/zinc/56/40/53/333564053.db2.gz MSXAEBFQHNVNFL-JTQLQIEISA-N 0 0 267.731 4.231 10 0 CIAERN Cc1cc(N[C@@H](C)c2cccs2)ncc1Br ZINC000126724821 333603382 /nfs/dbraw/zinc/60/33/82/333603382.db2.gz WQOOXAFRMFWIRM-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN CC(C)[C@H]1C[C@@H](Nc2cccc3c2CCCC3)CCO1 ZINC000070343471 333807600 /nfs/dbraw/zinc/80/76/00/333807600.db2.gz OPXDPWCCNUGSQO-MAUKXSAKSA-N 0 0 273.420 4.181 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Nc1cccc(NC(=O)C2CC2)c1 ZINC000071158932 333845121 /nfs/dbraw/zinc/84/51/21/333845121.db2.gz NFFXXOJSNZYAEP-DYVFJYSZSA-N 0 0 286.419 4.416 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)C(C)(C)C)o1 ZINC000174871222 335167949 /nfs/dbraw/zinc/16/79/49/335167949.db2.gz CJTJLRGQNUUILT-KGLIPLIRSA-N 0 0 292.423 4.259 10 0 CIAERN CCc1cnc([C@H](C)Nc2ccc3ccccc3n2)s1 ZINC000134925410 334108573 /nfs/dbraw/zinc/10/85/73/334108573.db2.gz IIDKHVGACVQKOF-NSHDSACASA-N 0 0 283.400 4.427 10 0 CIAERN C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000078026341 334121052 /nfs/dbraw/zinc/12/10/52/334121052.db2.gz BFKBCIYDZQKPGL-IUODEOHRSA-N 0 0 285.412 4.045 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2c(Cl)cccc2Cl)o1 ZINC000078349487 334131790 /nfs/dbraw/zinc/13/17/90/334131790.db2.gz CBZIAIXNCAGVAZ-VIFPVBQESA-N 0 0 298.169 4.386 10 0 CIAERN CC[C@@H]1CC[C@H](Nc2cccc(-c3cnco3)c2)C1 ZINC000080458330 334171899 /nfs/dbraw/zinc/17/18/99/334171899.db2.gz ROJVUTDOWZRRCD-DOMZBBRYSA-N 0 0 256.349 4.332 10 0 CIAERN CC[C@H](C)[C@@H](C)N(C(=O)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000245423742 334192051 /nfs/dbraw/zinc/19/20/51/334192051.db2.gz BQGHZPGKZMMBGW-IACUBPJLSA-N 0 0 292.423 4.258 10 0 CIAERN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000245507161 334198678 /nfs/dbraw/zinc/19/86/78/334198678.db2.gz POCSYXBGNKIHBZ-NQBHXWOUSA-N 0 0 287.325 4.177 10 0 CIAERN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000248289984 334298043 /nfs/dbraw/zinc/29/80/43/334298043.db2.gz RVOBUYCDRIXBOY-KGLIPLIRSA-N 0 0 273.420 4.179 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@]2(C)C(C)C)o1 ZINC000248508027 334304525 /nfs/dbraw/zinc/30/45/25/334304525.db2.gz ZHYOJSSJGBBOPB-RVKKMQEKSA-N 0 0 289.419 4.324 10 0 CIAERN C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccco2)c2ccccc21 ZINC000153208407 334570688 /nfs/dbraw/zinc/57/06/88/334570688.db2.gz FSNBDUIBOVENPI-CXAGYDPISA-N 0 0 298.386 4.060 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccsc2)cc1F ZINC000157159771 334761496 /nfs/dbraw/zinc/76/14/96/334761496.db2.gz MIMXCATZVWSQRF-SNVBAGLBSA-N 0 0 278.352 4.078 10 0 CIAERN Cc1cnc(N[C@@H](C)c2ccc(Cl)s2)s1 ZINC000380109645 335324329 /nfs/dbraw/zinc/32/43/29/335324329.db2.gz NVDZKDXFFBBCQE-ZETCQYMHSA-N 0 0 258.799 4.340 10 0 CIAERN Cc1c(N[C@@H](c2ccccc2Cl)C(C)C)cnn1C ZINC000179862554 335526561 /nfs/dbraw/zinc/52/65/61/335526561.db2.gz UKLVHOUMKWDCOE-OAHLLOKOSA-N 0 0 277.799 4.191 10 0 CIAERN Cc1cccc([C@@H](C)[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000381358538 336060232 /nfs/dbraw/zinc/06/02/32/336060232.db2.gz GHMCYLYHBZDNNF-GFCCVEGCSA-N 0 0 275.779 4.205 10 0 CIAERN CC(=O)c1ccc(-c2ccc(C)c(C(F)(F)F)c2)o1 ZINC000052924071 518296226 /nfs/dbraw/zinc/29/62/26/518296226.db2.gz FBUFNKMITJQKTH-UHFFFAOYSA-N 0 0 268.234 4.476 10 0 CIAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1ccc(Cl)cc1 ZINC000049526373 519857978 /nfs/dbraw/zinc/85/79/78/519857978.db2.gz YTQZJGQFAASBSP-SECBINFHSA-N 0 0 281.812 4.327 10 0 CIAERN CCNc1ccc(COc2ccc(Cl)cc2Cl)cn1 ZINC000050831145 520304459 /nfs/dbraw/zinc/30/44/59/520304459.db2.gz OXTSONHIQCXWKE-UHFFFAOYSA-N 0 0 297.185 4.399 10 0 CIAERN CCN(Cc1ccc(Cl)s1)c1ccccc1N ZINC000050454115 521311948 /nfs/dbraw/zinc/31/19/48/521311948.db2.gz VTTCEOVHYYRWOE-UHFFFAOYSA-N 0 0 266.797 4.010 10 0 CIAERN CNc1cc(COc2ccc(Cl)cc2Cl)ccn1 ZINC000052754543 522567629 /nfs/dbraw/zinc/56/76/29/522567629.db2.gz CTDRNYJYIVEXOG-UHFFFAOYSA-N 0 0 283.158 4.009 10 0 CIAERN CS[C@@H]1CC[C@@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302552402 533983984 /nfs/dbraw/zinc/98/39/84/533983984.db2.gz WSMOHLTYSZHTPM-GHMZBOCLSA-N 0 0 294.370 4.209 10 0 CIAERN CC(=O)c1ccc(N(CC2CC2)C(C)C)c(Cl)c1 ZINC000061694124 518343442 /nfs/dbraw/zinc/34/34/42/518343442.db2.gz UCRRJQQMPYGYLF-UHFFFAOYSA-N 0 0 265.784 4.167 10 0 CIAERN CC(=O)c1ccc(Oc2ccnc(C(C)C)n2)c(Cl)c1 ZINC000120385392 518401242 /nfs/dbraw/zinc/40/12/42/518401242.db2.gz AHSJKCAOLHSTDL-UHFFFAOYSA-N 0 0 290.750 4.248 10 0 CIAERN CC(=O)c1sc(-c2ccc(Cl)cc2F)nc1C ZINC000062786628 518494809 /nfs/dbraw/zinc/49/48/09/518494809.db2.gz NYCPMTIUVMUWIQ-UHFFFAOYSA-N 0 0 269.728 4.114 10 0 CIAERN CC(C)(c1ccccc1)[C@H](O)Cc1ccccc1Cl ZINC000062772998 519379309 /nfs/dbraw/zinc/37/93/09/519379309.db2.gz WOIWKVKIQMQROI-MRXNPFEDSA-N 0 0 274.791 4.221 10 0 CIAERN CC(C)Cc1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000139060023 519445529 /nfs/dbraw/zinc/44/55/29/519445529.db2.gz LDOLTRLQVNBVKS-KGLIPLIRSA-N 0 0 271.408 4.020 10 0 CIAERN CC(C)Cc1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000139060207 519446734 /nfs/dbraw/zinc/44/67/34/519446734.db2.gz LDOLTRLQVNBVKS-ZIAGYGMSSA-N 0 0 271.408 4.020 10 0 CIAERN CC(C)Oc1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000061666918 519783518 /nfs/dbraw/zinc/78/35/18/519783518.db2.gz ODDZFXLJWVWJFG-INIZCTEOSA-N 0 0 276.763 4.209 10 0 CIAERN CC(C)[C@H](Nc1cccc(F)c1N)c1cccs1 ZINC000049555135 519821721 /nfs/dbraw/zinc/82/17/21/519821721.db2.gz LXXVLWZQYIKSIU-AWEZNQCLSA-N 0 0 264.369 4.279 10 0 CIAERN CC(C)[C@H]1CCC(=O)[C@@H](Cc2ccc(F)cc2F)C1 ZINC000054630232 519824469 /nfs/dbraw/zinc/82/44/69/519824469.db2.gz JEDSFIGYJSHXEP-WCQYABFASA-N 0 0 266.331 4.149 10 0 CIAERN CC(C)c1ccc(-c2nc(N)sc2Br)cc1 ZINC000057626481 519833911 /nfs/dbraw/zinc/83/39/11/519833911.db2.gz CKLYLTFXNISRES-UHFFFAOYSA-N 0 0 297.221 4.278 10 0 CIAERN CC(C)c1ccc([C@H]2CNc3ccccc3O2)cc1 ZINC000062536710 519840268 /nfs/dbraw/zinc/84/02/68/519840268.db2.gz XIBIYFIIQHKYJH-QGZVFWFLSA-N 0 0 253.345 4.356 10 0 CIAERN CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1C[C@@H]1C ZINC000076032945 519841221 /nfs/dbraw/zinc/84/12/21/519841221.db2.gz HEAWRSMOOYOXPG-SWLSCSKDSA-N 0 0 274.408 4.463 10 0 CIAERN CC(C)c1nn(C)cc1N[C@H]1CCSc2ccccc21 ZINC000280970841 519883700 /nfs/dbraw/zinc/88/37/00/519883700.db2.gz VJMDNWLNIUFPMF-ZDUSSCGKSA-N 0 0 287.432 4.193 10 0 CIAERN CC(C)c1nnc(CN[C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000076292072 519887788 /nfs/dbraw/zinc/88/77/88/519887788.db2.gz BPXFKMBUJLXMBQ-ZDUSSCGKSA-N 0 0 287.407 4.167 10 0 CIAERN CCCC1CCC(n2c(=S)[nH]nc2C2CC2)CC1 ZINC000049546437 519899141 /nfs/dbraw/zinc/89/91/41/519899141.db2.gz VDEHUZVOOUPSLM-UHFFFAOYSA-N 0 0 265.426 4.349 10 0 CIAERN CC(C)c1noc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000248158424 519908940 /nfs/dbraw/zinc/90/89/40/519908940.db2.gz FHACPOLQVGDWEQ-WDEREUQCSA-N 0 0 293.798 4.258 10 0 CIAERN CCCCCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127692440 519924409 /nfs/dbraw/zinc/92/44/09/519924409.db2.gz FRVLFURJWZNTMW-CQSZACIVSA-N 0 0 263.381 4.222 10 0 CIAERN CCNc1c(C)c(C)nc2c(F)c(Cl)ccc21 ZINC000050868517 520255475 /nfs/dbraw/zinc/25/54/75/520255475.db2.gz VUSYPOYUINKWMR-UHFFFAOYSA-N 0 0 252.720 4.076 10 0 CIAERN CCNc1cc(CS[C@H]2CCC[C@@H](C)C2)ccn1 ZINC000054696023 520273029 /nfs/dbraw/zinc/27/30/29/520273029.db2.gz BHJFTXCWLGAWQE-OCCSQVGLSA-N 0 0 264.438 4.325 10 0 CIAERN CCCOc1ccc(Cl)cc1N[C@H]1CCCSC1 ZINC000061588544 520381747 /nfs/dbraw/zinc/38/17/47/520381747.db2.gz MVUDHPWPXKUVRI-LBPRGKRZSA-N 0 0 285.840 4.436 10 0 CIAERN CCC[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127976593 520994541 /nfs/dbraw/zinc/99/45/41/520994541.db2.gz ASCFCQKVGPEDMF-GXTWGEPZSA-N 0 0 263.381 4.078 10 0 CIAERN CCCC[C@@H](C)Nc1ccc(N)cc1C(F)(F)F ZINC000050887053 521011300 /nfs/dbraw/zinc/01/13/00/521011300.db2.gz WPRFEPAIFPKNJD-SECBINFHSA-N 0 0 260.303 4.278 10 0 CIAERN CCCC[C@H](C)Nc1ccc(N)cc1C(F)(F)F ZINC000050887054 521151972 /nfs/dbraw/zinc/15/19/72/521151972.db2.gz WPRFEPAIFPKNJD-VIFPVBQESA-N 0 0 260.303 4.278 10 0 CIAERN CCC[C@H](Nc1ccc(N)cc1F)c1cccs1 ZINC000049542256 521179489 /nfs/dbraw/zinc/17/94/89/521179489.db2.gz AYMGMFZYCTYEDI-ZDUSSCGKSA-N 0 0 264.369 4.423 10 0 CIAERN CCC[C@](O)(c1ccccc1)c1cc(C)ccc1F ZINC000055192378 521298008 /nfs/dbraw/zinc/29/80/08/521298008.db2.gz XPWJVKTZGUDNOZ-KRWDZBQOSA-N 0 0 258.336 4.170 10 0 CIAERN CCN(Cc1ccccc1)c1cnc(Cl)cc1C ZINC000062465839 521376783 /nfs/dbraw/zinc/37/67/83/521376783.db2.gz QEAQZTXRWLAIQD-UHFFFAOYSA-N 0 0 260.768 4.070 10 0 CIAERN CCC(CC)n1ccc(CN[C@H](C)c2cccs2)n1 ZINC000085173135 521640640 /nfs/dbraw/zinc/64/06/40/521640640.db2.gz BRROXNQGCKXJBZ-GFCCVEGCSA-N 0 0 277.437 4.157 10 0 CIAERN CCS[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000226804365 521732831 /nfs/dbraw/zinc/73/28/31/521732831.db2.gz CLPUKKQFQKNSSJ-MNOVXSKESA-N 0 0 290.354 4.187 10 0 CIAERN CCc1cccc(Oc2ccc(C(N)=S)c(Cl)c2)c1 ZINC000061850506 521782672 /nfs/dbraw/zinc/78/26/72/521782672.db2.gz UYODMAJIBJULGC-UHFFFAOYSA-N 0 0 291.803 4.329 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1ccc(C(F)(F)F)cc1N ZINC000049092480 521826562 /nfs/dbraw/zinc/82/65/62/521826562.db2.gz KGPRYUAJJCERIR-DTWKUNHWSA-N 0 0 260.303 4.134 10 0 CIAERN COc1cc(Cl)ccc1[C@H](O)C1=CCCCCC1 ZINC000050329412 522561036 /nfs/dbraw/zinc/56/10/36/522561036.db2.gz FBLZAZMNRFYJHN-OAHLLOKOSA-N 0 0 266.768 4.273 10 0 CIAERN CNc1cc(COc2cc(Cl)ccc2Cl)ccn1 ZINC000052734381 522566777 /nfs/dbraw/zinc/56/67/77/522566777.db2.gz MBVSIEMEIRFPRK-UHFFFAOYSA-N 0 0 283.158 4.009 10 0 CIAERN CC[C@@H](Nc1cc(N)cc(F)c1)c1cccs1 ZINC000049529248 522956904 /nfs/dbraw/zinc/95/69/04/522956904.db2.gz YWWHWDVXIGSWKA-GFCCVEGCSA-N 0 0 250.342 4.033 10 0 CIAERN CC[C@@H]1CCCCN1c1nc(C(C)(C)C)c(C=O)s1 ZINC000054967227 523180891 /nfs/dbraw/zinc/18/08/91/523180891.db2.gz FLHJVLCXAOMQCF-LLVKDONJSA-N 0 0 280.437 4.022 10 0 CIAERN CC[C@@H]1CCCC[C@H]1OCc1cccnc1Cl ZINC000052724120 523228806 /nfs/dbraw/zinc/22/88/06/523228806.db2.gz DSYHZZBJJYDGAJ-DGCLKSJQSA-N 0 0 253.773 4.220 10 0 CIAERN CCn1cc([C@@H](C)Nc2ccc(C(F)(F)F)cc2)cn1 ZINC000044494505 523462510 /nfs/dbraw/zinc/46/25/10/523462510.db2.gz VAQWZHHVXDEMNU-SNVBAGLBSA-N 0 0 283.297 4.095 10 0 CIAERN COc1ccc(CCC(=O)C(C)(C)C)cc1Br ZINC000049596724 523915363 /nfs/dbraw/zinc/91/53/63/523915363.db2.gz MRODACWKCMLKNA-UHFFFAOYSA-N 0 0 299.208 4.006 10 0 CIAERN CCc1ccc(CN2CCCC[C@@H]2c2nccs2)o1 ZINC000127672474 523925822 /nfs/dbraw/zinc/92/58/22/523925822.db2.gz QSXMHNADFIBLAS-CQSZACIVSA-N 0 0 276.405 4.026 10 0 CIAERN CCc1ccc(CNc2ccc3ncccc3c2)cc1 ZINC000054107809 523948749 /nfs/dbraw/zinc/94/87/49/523948749.db2.gz IRTBKXYJUWHRSE-UHFFFAOYSA-N 0 0 262.356 4.409 10 0 CIAERN CCc1ccc(C[C@@H](O)c2ccccc2Cl)s1 ZINC000053787269 523951350 /nfs/dbraw/zinc/95/13/50/523951350.db2.gz PZTHJGMTDDRYCH-CQSZACIVSA-N 0 0 266.793 4.240 10 0 CIAERN CCc1ccc(C[C@H](O)c2ccc(Cl)cc2F)cc1 ZINC000062785468 523951896 /nfs/dbraw/zinc/95/18/96/523951896.db2.gz UGJTVHSMMBAIOA-INIZCTEOSA-N 0 0 278.754 4.318 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)o1 ZINC000128612512 524035349 /nfs/dbraw/zinc/03/53/49/524035349.db2.gz JRMNZKWXOFKRJY-ZBFHGGJFSA-N 0 0 287.403 4.252 10 0 CIAERN Cc1ccc(C)c(C[C@H](O)c2cccc(Cl)c2)c1 ZINC000049257760 524109851 /nfs/dbraw/zinc/10/98/51/524109851.db2.gz GCSYEWIMCSVFQJ-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN C[C@H]1CCC[C@@H](SCc2cc(F)ccc2N)C1 ZINC000054689697 524154843 /nfs/dbraw/zinc/15/48/43/524154843.db2.gz HDYKJZKZBXLYEB-GXFFZTMASA-N 0 0 253.386 4.220 10 0 CIAERN C[C@@H]1CCCC[C@H]1OCc1ccc(Cl)cc1N ZINC000050443566 524179862 /nfs/dbraw/zinc/17/98/62/524179862.db2.gz IUYVCQWOLRVXIH-QMTHXVAHSA-N 0 0 253.773 4.018 10 0 CIAERN COc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000055200413 524198663 /nfs/dbraw/zinc/19/86/63/524198663.db2.gz KRHMQUJVDDEREF-UHFFFAOYSA-N 0 0 281.138 4.233 10 0 CIAERN Cc1ccc(C)c([C@@](C)(O)c2ccc(F)c(C)c2)c1 ZINC000055193199 524208870 /nfs/dbraw/zinc/20/88/70/524208870.db2.gz FCHAEVJXYNUPQK-KRWDZBQOSA-N 0 0 258.336 4.007 10 0 CIAERN Cc1cccc(C(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000054669175 524226360 /nfs/dbraw/zinc/22/63/60/524226360.db2.gz SJDLZOJRMSHWOE-QGZVFWFLSA-N 0 0 250.341 4.298 10 0 CIAERN Cc1cc(C)cc(CNc2cccc3ncccc32)c1 ZINC000049826505 524385939 /nfs/dbraw/zinc/38/59/39/524385939.db2.gz IGZYQDARSHWLDC-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN Cc1cc(C)cc([C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000061845851 524465095 /nfs/dbraw/zinc/46/50/95/524465095.db2.gz CAOMNBPCKNFHME-OAHLLOKOSA-N 0 0 264.727 4.178 10 0 CIAERN Cc1cccc(Cn2c3cccc(F)c3[nH]c2=S)c1 ZINC000048266276 524492296 /nfs/dbraw/zinc/49/22/96/524492296.db2.gz PDPKHJXZAQGBOH-UHFFFAOYSA-N 0 0 272.348 4.195 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@@H](C)c1cccc(Cl)c1 ZINC000049526022 524609075 /nfs/dbraw/zinc/60/90/75/524609075.db2.gz AWPCRTKQPBBPII-NSHDSACASA-N 0 0 261.752 4.180 10 0 CIAERN Cc1cc(C=O)ccc1Oc1ccccc1Br ZINC000050545126 524612713 /nfs/dbraw/zinc/61/27/13/524612713.db2.gz OXFPUSJNQMSWJO-UHFFFAOYSA-N 0 0 291.144 4.362 10 0 CIAERN Cc1ccc(CSc2ccc(F)cc2N)cc1C ZINC000049668818 524648321 /nfs/dbraw/zinc/64/83/21/524648321.db2.gz DTANKBOGFKZXDI-UHFFFAOYSA-N 0 0 261.365 4.317 10 0 CIAERN Cc1cccc(N[C@H](C)c2cncs2)c1Br ZINC000229132372 524697343 /nfs/dbraw/zinc/69/73/43/524697343.db2.gz MEHXPTUSLMBMIR-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN Cc1ccc(Cl)c(Oc2c(F)cc(CO)cc2F)c1 ZINC000062722638 524716271 /nfs/dbraw/zinc/71/62/71/524716271.db2.gz YNLHYZOJOSGCQH-UHFFFAOYSA-N 0 0 284.689 4.211 10 0 CIAERN Cc1cc(CN[C@@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000044296159 524765809 /nfs/dbraw/zinc/76/58/09/524765809.db2.gz OTPKTFLAFQUMPS-AWEZNQCLSA-N 0 0 272.392 4.032 10 0 CIAERN Cc1ccc(F)c([C@@H](O)Cc2cc(C)cc(C)c2)c1 ZINC000055204435 524835352 /nfs/dbraw/zinc/83/53/52/524835352.db2.gz FQLVMLISSLUFKE-KRWDZBQOSA-N 0 0 258.336 4.027 10 0 CIAERN Cc1ccc(F)cc1[C@@H](O)c1ccc(C(C)C)cc1 ZINC000055201062 524875336 /nfs/dbraw/zinc/87/53/36/524875336.db2.gz XBRVXMRTIRZAKY-KRWDZBQOSA-N 0 0 258.336 4.339 10 0 CIAERN Cc1ccc(N)cc1NCC[C@H](C)c1ccccc1 ZINC000061910263 524909689 /nfs/dbraw/zinc/90/96/89/524909689.db2.gz CMEFEFYJXYOGNM-ZDUSSCGKSA-N 0 0 254.377 4.183 10 0 CIAERN Cc1cc(F)ccc1CNc1cccc2cccnc21 ZINC000050569031 524980583 /nfs/dbraw/zinc/98/05/83/524980583.db2.gz JZKAACSXWULDCZ-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN C[C@](N)(c1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000052879260 525150464 /nfs/dbraw/zinc/15/04/64/525150464.db2.gz COJMRTLYFHPLDT-OAHLLOKOSA-N 0 0 288.803 4.172 10 0 CIAERN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280632 525159796 /nfs/dbraw/zinc/15/97/96/525159796.db2.gz YBZBWARKNGTKQN-NEPJUHHUSA-N 0 0 277.339 4.148 10 0 CIAERN Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)ccc1N ZINC000049515563 525293679 /nfs/dbraw/zinc/29/36/79/525293679.db2.gz BHXYQNPMPAEJRO-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2)c(N)c1 ZINC000049515512 525309978 /nfs/dbraw/zinc/30/99/78/525309978.db2.gz PTCDSQJQGSYTCW-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Nc2ccc(C)c(N)c2)c(Br)c1 ZINC000061700946 525323864 /nfs/dbraw/zinc/32/38/64/525323864.db2.gz JMSLMMHDMHPEGL-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN COc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280625 525334752 /nfs/dbraw/zinc/33/47/52/525334752.db2.gz YBZBWARKNGTKQN-NWDGAFQWSA-N 0 0 277.339 4.148 10 0 CIAERN Cc1cc(Oc2ccc(Cl)c(C)c2)nc(Cl)n1 ZINC000052813918 525385245 /nfs/dbraw/zinc/38/52/45/525385245.db2.gz ARWFEPZYZXWVQS-UHFFFAOYSA-N 0 0 269.131 4.193 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1ccc(Cl)cc1N ZINC000049525427 525419859 /nfs/dbraw/zinc/41/98/59/525419859.db2.gz VGROFQORNKXILV-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1cc([C@@H](C)Nc2ccc(N)c(C)c2)c(C)s1 ZINC000049506178 525476115 /nfs/dbraw/zinc/47/61/15/525476115.db2.gz XRRHOSNCBLYQBC-LLVKDONJSA-N 0 0 260.406 4.429 10 0 CIAERN Cc1cc2c(n1[C@@H](C)C1CCCCC1)CCCC2=O ZINC000052342961 525621925 /nfs/dbraw/zinc/62/19/25/525621925.db2.gz RXTPIMVOQUYUED-ZDUSSCGKSA-N 0 0 259.393 4.457 10 0 CIAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000138977986 525622706 /nfs/dbraw/zinc/62/27/06/525622706.db2.gz IUDLKRYDDWLLHX-OLZOCXBDSA-N 0 0 271.408 4.119 10 0 CIAERN C[C@H](Nc1ccc(F)cc1N)c1ccc(Cl)cc1 ZINC000049515436 525653107 /nfs/dbraw/zinc/65/31/07/525653107.db2.gz ISLUWYWMHLWBLI-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc(SCCNc2ccccc2F)cc1 ZINC000049136102 525659486 /nfs/dbraw/zinc/65/94/86/525659486.db2.gz MVVXMXKAVGIFAD-UHFFFAOYSA-N 0 0 261.365 4.338 10 0 CIAERN C[C@H](Nc1ccccc1N)c1ccc(Cl)s1 ZINC000049128055 525672057 /nfs/dbraw/zinc/67/20/57/525672057.db2.gz KJAUDBLCBVXAGD-QMMMGPOBSA-N 0 0 252.770 4.157 10 0 CIAERN C[C@@H](Nc1ccc(Br)cn1)c1cccc(F)c1 ZINC000049531141 525702032 /nfs/dbraw/zinc/70/20/32/525702032.db2.gz DEUNETWMHGRYPV-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cn1)c1cccc(F)c1 ZINC000049531137 525705093 /nfs/dbraw/zinc/70/50/93/525705093.db2.gz CACQISNSUASDNM-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN C[C@@H](Nc1ccc(N)cc1F)c1ccc(Cl)cc1 ZINC000049515488 525706811 /nfs/dbraw/zinc/70/68/11/525706811.db2.gz URCBYBQYXHDOTC-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1cccc(-n2cccn2)c1)c1ccsc1 ZINC000050342952 525715838 /nfs/dbraw/zinc/71/58/38/525715838.db2.gz KBBSFXHVKBDLRQ-GFCCVEGCSA-N 0 0 269.373 4.107 10 0 CIAERN C[C@@H](Nc1cccc2c1CCCC2)c1nccs1 ZINC000086507681 525719490 /nfs/dbraw/zinc/71/94/90/525719490.db2.gz AUOVRIXGNKVABJ-LLVKDONJSA-N 0 0 258.390 4.195 10 0 CIAERN C[C@@](O)(c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000055190818 525782065 /nfs/dbraw/zinc/78/20/65/525782065.db2.gz UFQJTKLJGCFWDV-CQSZACIVSA-N 0 0 285.145 4.388 10 0 CIAERN Cc1ccc([C@@H](O)[C@@H]2CCCc3ccccc32)cc1 ZINC000054669416 525783381 /nfs/dbraw/zinc/78/33/81/525783381.db2.gz INBNXKPPTBRHMA-QZTJIDSGSA-N 0 0 252.357 4.149 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC(C)(C)C)o1 ZINC000127749557 525797456 /nfs/dbraw/zinc/79/74/56/525797456.db2.gz SBVCYSXJXMTCFR-ZDUSSCGKSA-N 0 0 263.381 4.078 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccs2)o1 ZINC000127693385 525802377 /nfs/dbraw/zinc/80/23/77/525802377.db2.gz VUFNIBKPXXBPAB-LBPRGKRZSA-N 0 0 275.373 4.017 10 0 CIAERN Cc1ccsc1-c1nc(Cl)c2cc(F)ccc2n1 ZINC000062772532 525812851 /nfs/dbraw/zinc/81/28/51/525812851.db2.gz DVESWRBZFAQCDO-UHFFFAOYSA-N 0 0 278.739 4.459 10 0 CIAERN Cc1c(F)cccc1Nc1nc(Cl)c2c(n1)CCCC2 ZINC000057343529 525813212 /nfs/dbraw/zinc/81/32/12/525813212.db2.gz VBGFDLGKCMBBRK-UHFFFAOYSA-N 0 0 291.757 4.200 10 0 CIAERN Cc1ccsc1C(=O)Cc1cccc(Cl)c1 ZINC000052944392 525815918 /nfs/dbraw/zinc/81/59/18/525815918.db2.gz QUAZKEGNWKSYGK-UHFFFAOYSA-N 0 0 250.750 4.135 10 0 CIAERN Cc1c(N)cccc1N(C)[C@H](C)c1cccc(Cl)c1 ZINC000062725518 525819960 /nfs/dbraw/zinc/81/99/60/525819960.db2.gz TZNYRGUPNNWSSB-GFCCVEGCSA-N 0 0 274.795 4.428 10 0 CIAERN Cc1c(N)cccc1Sc1nc2ccccc2s1 ZINC000062725544 525822326 /nfs/dbraw/zinc/82/23/26/525822326.db2.gz SQZCYXWHOGPHOD-UHFFFAOYSA-N 0 0 272.398 4.338 10 0 CIAERN Cc1ccsc1CN1CCCC[C@H]1c1nccs1 ZINC000127700467 525843744 /nfs/dbraw/zinc/84/37/44/525843744.db2.gz RIYYUXWMUXBRJG-LBPRGKRZSA-N 0 0 278.446 4.240 10 0 CIAERN C[C@H](O)c1ccc(F)cc1OCc1ccc(Cl)s1 ZINC000062749272 525855734 /nfs/dbraw/zinc/85/57/34/525855734.db2.gz ZJJKXZKMSBGQSW-QMMMGPOBSA-N 0 0 286.755 4.173 10 0 CIAERN C[C@H](O)c1ccc(Oc2cc(F)cc(F)c2)c(Cl)c1 ZINC000061697963 525858113 /nfs/dbraw/zinc/85/81/13/525858113.db2.gz QMUMSVKSKLFHTR-QMMMGPOBSA-N 0 0 284.689 4.464 10 0 CIAERN C[C@H](O)c1ccccc1N[C@H]1CCCc2sccc21 ZINC000061329005 525862563 /nfs/dbraw/zinc/86/25/63/525862563.db2.gz JTIHTADWZZAGKD-NHYWBVRUSA-N 0 0 273.401 4.291 10 0 CIAERN Cc1c(NCC(C)C)n[nH]c1-c1ccc(Cl)cc1 ZINC000062669549 525866874 /nfs/dbraw/zinc/86/68/74/525866874.db2.gz DVTBSUPWCLWWHT-UHFFFAOYSA-N 0 0 263.772 4.106 10 0 CIAERN C[C@@H](O)c1ccc(N(C)c2cccc(F)c2)c(Cl)c1 ZINC000061696988 525868627 /nfs/dbraw/zinc/86/86/27/525868627.db2.gz UGNFHBDPZCNYFL-SNVBAGLBSA-N 0 0 279.742 4.300 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccccc2)c(Br)c1 ZINC000061697602 525869856 /nfs/dbraw/zinc/86/98/56/525869856.db2.gz APMYBIDMEPYVIU-SNVBAGLBSA-N 0 0 293.160 4.295 10 0 CIAERN C[C@@H](O)c1ccc(Oc2cccc(F)c2F)c(Cl)c1 ZINC000062615868 525870493 /nfs/dbraw/zinc/87/04/93/525870493.db2.gz BVIZUOHEIJVVDV-MRVPVSSYSA-N 0 0 284.689 4.464 10 0 CIAERN C[C@@H](O)c1ccccc1N[C@@H]1CCCc2sccc21 ZINC000061329003 525874492 /nfs/dbraw/zinc/87/44/92/525874492.db2.gz JTIHTADWZZAGKD-IAQYHMDHSA-N 0 0 273.401 4.291 10 0 CIAERN C[C@H](Oc1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000051018503 525948153 /nfs/dbraw/zinc/94/81/53/525948153.db2.gz BBORXCASUPJKKC-JTQLQIEISA-N 0 0 272.735 4.356 10 0 CIAERN Cc1ccc([C@H](O)C2(c3ccccc3)CC2)cc1C ZINC000061618402 525972598 /nfs/dbraw/zinc/97/25/98/525972598.db2.gz WDSKFADTYRPMPN-KRWDZBQOSA-N 0 0 252.357 4.069 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)CC2CCCC2)o1 ZINC000127898367 525991839 /nfs/dbraw/zinc/99/18/39/525991839.db2.gz UTPNOCYWZONCBV-OAHLLOKOSA-N 0 0 275.392 4.222 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1)N(C)c1cc(N)cc(F)c1 ZINC000062013919 526044745 /nfs/dbraw/zinc/04/47/45/526044745.db2.gz PVJJUFZDKLFLOU-JTQLQIEISA-N 0 0 278.758 4.259 10 0 CIAERN C[C@H](c1ccccc1Cl)n1c(=S)[nH]nc1C1CC1 ZINC000049510055 526115039 /nfs/dbraw/zinc/11/50/39/526115039.db2.gz NPXGUCVVHVUQGK-MRVPVSSYSA-N 0 0 279.796 4.081 10 0 CIAERN Cc1cc(Br)ccc1C(=O)C1CCCC1 ZINC000049858728 526162523 /nfs/dbraw/zinc/16/25/23/526162523.db2.gz NUHMLRVUNNXQPN-UHFFFAOYSA-N 0 0 267.166 4.130 10 0 CIAERN C[C@H]1CCCC[C@@H]1OCc1ccc(Cl)cc1N ZINC000050443565 526259609 /nfs/dbraw/zinc/25/96/09/526259609.db2.gz IUYVCQWOLRVXIH-HZMBPMFUSA-N 0 0 253.773 4.018 10 0 CIAERN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCC1CCCCC1 ZINC000262749128 526290237 /nfs/dbraw/zinc/29/02/37/526290237.db2.gz BMGZNNFEWQCZJK-BBWFWOEESA-N 0 0 293.451 4.065 10 0 CIAERN O=C(C=C1CCC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129976990 526318002 /nfs/dbraw/zinc/31/80/02/526318002.db2.gz SOWJMUMNIPYXIU-INIZCTEOSA-N 0 0 297.398 4.050 10 0 CIAERN Cc1csc(CN2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000130982858 526343179 /nfs/dbraw/zinc/34/31/79/526343179.db2.gz RZWKIECNDBCLBE-ZDUSSCGKSA-N 0 0 276.405 4.080 10 0 CIAERN S=c1[nH]cc(-c2ccccc2)n1Cc1ccsc1 ZINC000063154618 526387001 /nfs/dbraw/zinc/38/70/01/526387001.db2.gz XUURGYVNPNFNSS-UHFFFAOYSA-N 0 0 272.398 4.322 10 0 CIAERN S=c1[nH]nc(-c2cccs2)n1C(C1CC1)C1CC1 ZINC000049236150 526388932 /nfs/dbraw/zinc/38/89/32/526388932.db2.gz XMVAMHWVQTZBDW-UHFFFAOYSA-N 0 0 277.418 4.030 10 0 CIAERN Cc1csc(NCc2cccc3ccccc32)n1 ZINC000052062432 526394849 /nfs/dbraw/zinc/39/48/49/526394849.db2.gz GAYWIYFLICNVHJ-UHFFFAOYSA-N 0 0 254.358 4.217 10 0 CIAERN Fc1cccc(F)c1NCc1c[nH]c2ccccc12 ZINC000049136592 526394888 /nfs/dbraw/zinc/39/48/88/526394888.db2.gz JJXBUQKTGGFSAX-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Cc1cscc1NCc1ccc(Br)o1 ZINC000307067781 526475290 /nfs/dbraw/zinc/47/52/90/526475290.db2.gz LLSNMOJYTYJNPM-UHFFFAOYSA-N 0 0 272.167 4.024 10 0 CIAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H]1c1ccco1 ZINC000156199698 526499505 /nfs/dbraw/zinc/49/95/05/526499505.db2.gz PEKYJCIDRLSASZ-OAGGEKHMSA-N 0 0 287.403 4.160 10 0 CIAERN c1csc(-c2n[nH]c(-c3csc4ccccc34)n2)c1 ZINC000054700094 526574552 /nfs/dbraw/zinc/57/45/52/526574552.db2.gz YKBLPVGSRNNODC-UHFFFAOYSA-N 0 0 283.381 4.415 10 0 CIAERN Cc1nc(-c2ccc(N[C@@H]3CCCSC3)cc2)cs1 ZINC000061572107 526576877 /nfs/dbraw/zinc/57/68/77/526576877.db2.gz UMWZACCYMWBCAK-CQSZACIVSA-N 0 0 290.457 4.426 10 0 CIAERN O=C(CCc1c(F)cccc1Cl)c1ccccc1 ZINC000049345676 526578210 /nfs/dbraw/zinc/57/82/10/526578210.db2.gz DFEYZCNLCDJTSC-UHFFFAOYSA-N 0 0 262.711 4.295 10 0 CIAERN O=C(c1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1F ZINC000062791749 526685975 /nfs/dbraw/zinc/68/59/75/526685975.db2.gz MXYWHBGSQCLNSG-UHFFFAOYSA-N 0 0 288.627 4.127 10 0 CIAERN O=C(c1ccccc1Cl)c1ccc(F)cc1Cl ZINC000061845522 526803912 /nfs/dbraw/zinc/80/39/12/526803912.db2.gz NECOOAJEDLEMTH-UHFFFAOYSA-N 0 0 269.102 4.364 10 0 CIAERN Cc1nc(CNc2nc3cccc(Cl)c3s2)cs1 ZINC000049534235 526900917 /nfs/dbraw/zinc/90/09/17/526900917.db2.gz RWTBISQZROANOX-UHFFFAOYSA-N 0 0 295.820 4.327 10 0 CIAERN Cc1nc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953240 527034134 /nfs/dbraw/zinc/03/41/34/527034134.db2.gz XIEVACMNDQDUAB-RKDXNWHRSA-N 0 0 282.359 4.142 10 0 CIAERN Cc1nc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953239 527066246 /nfs/dbraw/zinc/06/62/46/527066246.db2.gz XIEVACMNDQDUAB-IUCAKERBSA-N 0 0 282.359 4.142 10 0 CIAERN NC(=S)c1c(Cl)cccc1NCCC1CCCCC1 ZINC000052905432 527113209 /nfs/dbraw/zinc/11/32/09/527113209.db2.gz VKFMJMITQKHUCG-UHFFFAOYSA-N 0 0 296.867 4.357 10 0 CIAERN Cc1nc[nH]c1CNc1ccccc1-c1cccs1 ZINC000054795699 527216086 /nfs/dbraw/zinc/21/60/86/527216086.db2.gz ZCSGDZXSYRGAOF-UHFFFAOYSA-N 0 0 269.373 4.059 10 0 CIAERN Nc1ccc(OCc2c(F)cccc2Cl)cc1Cl ZINC000050471259 527496858 /nfs/dbraw/zinc/49/68/58/527496858.db2.gz YZGSUXWCDGTGSX-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1Cl ZINC000050471360 527496897 /nfs/dbraw/zinc/49/68/97/527496897.db2.gz CNWHHFMVKCOBTR-UHFFFAOYSA-N 0 0 288.656 4.128 10 0 CIAERN Nc1ccccc1CCOc1ccc(Cl)c(Cl)c1 ZINC000052919054 527526167 /nfs/dbraw/zinc/52/61/67/527526167.db2.gz UMWBUHWXPQNDQS-UHFFFAOYSA-N 0 0 282.170 4.197 10 0 CIAERN Nc1ccccc1Nc1cc(C(F)(F)F)ccc1F ZINC000062655958 527529630 /nfs/dbraw/zinc/52/96/30/527529630.db2.gz UHDOHLXKCNFUCR-UHFFFAOYSA-N 0 0 270.229 4.170 10 0 CIAERN Nc1ncccc1CSc1ccc2ccccc2c1 ZINC000052756357 527569552 /nfs/dbraw/zinc/56/95/52/527569552.db2.gz PVOYHIARPSABBE-UHFFFAOYSA-N 0 0 266.369 4.109 10 0 CIAERN OC[C@@H](Nc1ccccc1)c1csc2ccccc21 ZINC000054465800 527583934 /nfs/dbraw/zinc/58/39/34/527583934.db2.gz JEJFVJPHONIXFL-OAHLLOKOSA-N 0 0 269.369 4.047 10 0 CIAERN O[C@@H](Cc1ccc(Cl)s1)Cc1cccc(Cl)c1 ZINC000053782648 527664293 /nfs/dbraw/zinc/66/42/93/527664293.db2.gz ODHBZINRDOEGID-LLVKDONJSA-N 0 0 287.211 4.201 10 0 CIAERN O[C@@H](Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000053784527 527664396 /nfs/dbraw/zinc/66/43/96/527664396.db2.gz MWWSWJLHXLBVCK-AWEZNQCLSA-N 0 0 272.310 4.189 10 0 CIAERN FC(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC000088674549 567907322 /nfs/dbraw/zinc/90/73/22/567907322.db2.gz WIIRREMNDRTYCJ-UHFFFAOYSA-N 0 0 273.641 4.301 10 0 CIAERN CC[C@@H](C)c1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243057 570254623 /nfs/dbraw/zinc/25/46/23/570254623.db2.gz HYEUGBJOPSQMKJ-SECBINFHSA-N 0 0 265.788 4.194 10 0 CIAERN CC(=O)c1cc2ccc3c(c2cc1O)CCCC3(C)C ZINC000005167566 560201191 /nfs/dbraw/zinc/20/11/91/560201191.db2.gz ABHIZICAJIIGDO-UHFFFAOYSA-N 0 0 268.356 4.362 10 0 biogenic,in-vitro CIAERN CCc1cc(C)nc2cc(Br)c(F)cc12 ZINC000669372262 566949342 /nfs/dbraw/zinc/94/93/42/566949342.db2.gz LMNPRGWUIHCQQV-UHFFFAOYSA-N 0 0 268.129 4.007 10 0 CIAERN CN(C)c1ccc(-c2nc(Cl)c3ccccc3n2)cc1 ZINC000036906709 566962456 /nfs/dbraw/zinc/96/24/56/566962456.db2.gz ZUWQMICNQFRGOU-UHFFFAOYSA-N 0 0 283.762 4.016 10 0 CIAERN O=C1CC[C@H](Sc2ccc(Cl)c(Cl)c2)C1 ZINC000083867352 567026897 /nfs/dbraw/zinc/02/68/97/567026897.db2.gz BIGNNQCBQNIDAB-QMMMGPOBSA-N 0 0 261.173 4.207 10 0 CIAERN CCCOc1cccc(Br)c1OCCC ZINC000220616388 567033766 /nfs/dbraw/zinc/03/37/66/567033766.db2.gz ZTGPXVAUKCDXPR-UHFFFAOYSA-N 0 0 273.170 4.027 10 0 CIAERN CC[C@H](C)c1ccccc1NC(=O)c1ccc(C)c(N)c1 ZINC000226265255 567038193 /nfs/dbraw/zinc/03/81/93/567038193.db2.gz WQEAPELQJBMMJN-LBPRGKRZSA-N 0 0 282.387 4.343 10 0 CIAERN C[C@@H](O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000226272722 567038927 /nfs/dbraw/zinc/03/89/27/567038927.db2.gz CHMUNGOMPPNXSX-CYBMUJFWSA-N 0 0 291.350 4.145 10 0 CIAERN CC1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 ZINC000226245546 567039063 /nfs/dbraw/zinc/03/90/63/567039063.db2.gz LWAFQUQAGSNDHL-UHFFFAOYSA-N 0 0 274.795 4.367 10 0 CIAERN CNc1ccc2nc(-c3ccc(C)c(Cl)c3)oc2c1 ZINC000226271663 567039193 /nfs/dbraw/zinc/03/91/93/567039193.db2.gz LFJNATUUFNDSTR-UHFFFAOYSA-N 0 0 272.735 4.498 10 0 CIAERN Oc1ccc(-n2cccc2)cc1-c1nc2ccccc2s1 ZINC000226281700 567040200 /nfs/dbraw/zinc/04/02/00/567040200.db2.gz OXCPPNOIJDNUTG-UHFFFAOYSA-N 0 0 292.363 4.460 10 0 CIAERN CCNc1cc2nc(-c3ccc(OC)cc3)oc2c(C)c1 ZINC000226283664 567040906 /nfs/dbraw/zinc/04/09/06/567040906.db2.gz QSXRSPPFKIUMGS-UHFFFAOYSA-N 0 0 282.343 4.244 10 0 CIAERN CCNc1ccc(N2CCC(C)CC2)c(Br)c1 ZINC000226285051 567041140 /nfs/dbraw/zinc/04/11/40/567041140.db2.gz PJFUPILOKWLNRU-UHFFFAOYSA-N 0 0 297.240 4.117 10 0 CIAERN C[C@H]1CC(C)(C)Nc2ccc(Br)cc21 ZINC000096958853 567041520 /nfs/dbraw/zinc/04/15/20/567041520.db2.gz RNAOSFOEEOEGFB-QMMMGPOBSA-N 0 0 254.171 4.147 10 0 CIAERN COc1ccc(-c2csc3nc4ccccc4n23)cc1 ZINC000004169968 567189195 /nfs/dbraw/zinc/18/91/95/567189195.db2.gz UADJUTSJWQSOAE-UHFFFAOYSA-N 0 0 280.352 4.225 10 0 CIAERN Cc1ccc(Cc2nc3ccccc3[nH]c2=S)cc1 ZINC000032916889 567886503 /nfs/dbraw/zinc/88/65/03/567886503.db2.gz MWPDQZVQMLMZNC-UHFFFAOYSA-N 0 0 266.369 4.192 10 0 CIAERN Cc1ccc(-c2nc3c(cc(C)cc3C)[nH]2)c(C)c1 ZINC000073638581 567893357 /nfs/dbraw/zinc/89/33/57/567893357.db2.gz UYDOXCIACWPLIR-UHFFFAOYSA-N 0 0 250.345 4.464 10 0 CIAERN CCOc1cc(N)ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000073638489 567893538 /nfs/dbraw/zinc/89/35/38/567893538.db2.gz WQPYMOLHLPDCNK-UHFFFAOYSA-N 0 0 298.386 4.043 10 0 CIAERN O=C1CC[C@@H](Sc2ccc(Cl)cc2Cl)C1 ZINC000306169360 567893833 /nfs/dbraw/zinc/89/38/33/567893833.db2.gz DDCULTRMGZROGR-SECBINFHSA-N 0 0 261.173 4.207 10 0 CIAERN Clc1ccc2c(Cl)ccc(Br)c2n1 ZINC000088123699 567907497 /nfs/dbraw/zinc/90/74/97/567907497.db2.gz TVNMCLYXFGOVTH-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN Fc1cc(-c2cc(Cl)cnc2F)ccc1Cl ZINC000725241324 567907964 /nfs/dbraw/zinc/90/79/64/567907964.db2.gz LGDJKYMSMLWECK-UHFFFAOYSA-N 0 0 260.070 4.334 10 0 CIAERN Brc1cccc2ncn(C3CCCCC3)c21 ZINC000725253813 567911453 /nfs/dbraw/zinc/91/14/53/567911453.db2.gz ZHTQIOXANJRPJT-UHFFFAOYSA-N 0 0 279.181 4.304 10 0 CIAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Oc1ccccc1C=O)C2 ZINC000098209714 567911555 /nfs/dbraw/zinc/91/15/55/567911555.db2.gz DVVQRKRWEFESON-UNEWFSDZSA-N 0 0 258.361 4.093 10 0 CIAERN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1N ZINC000100647633 567913602 /nfs/dbraw/zinc/91/36/02/567913602.db2.gz YGMGYFROAAHZKJ-UHFFFAOYSA-N 0 0 283.350 4.314 10 0 CIAERN CCC(C)(C)[C@H]1CCCN[C@H](C(F)(F)F)CC1 ZINC000725255951 567915186 /nfs/dbraw/zinc/91/51/86/567915186.db2.gz LACQNDZVLNNGRL-QWRGUYRKSA-N 0 0 251.336 4.133 10 0 CIAERN CCC(C)(C)c1nc2c(Br)cccc2cc1O ZINC000725267777 567924168 /nfs/dbraw/zinc/92/41/68/567924168.db2.gz XOTNOOLNYRXZAR-UHFFFAOYSA-N 0 0 294.192 4.391 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2cc(Cl)ccc2N)n1 ZINC000725269730 567924420 /nfs/dbraw/zinc/92/44/20/567924420.db2.gz CNHIXFDAFJFVDS-UHFFFAOYSA-N 0 0 285.725 4.304 10 0 CIAERN Clc1ss/c(=N\c2ccccc2)c1Cl ZINC000000268473 567926048 /nfs/dbraw/zinc/92/60/48/567926048.db2.gz CMBODUXJSUWGNV-XFXZXTDPSA-N 0 0 262.186 4.349 10 0 CIAERN CC(C)C(=O)CCc1ccc(OCc2ccccc2)cc1 ZINC000139196384 567928209 /nfs/dbraw/zinc/92/82/09/567928209.db2.gz HLJUQQMGAVBQNJ-UHFFFAOYSA-N 0 0 282.383 4.423 10 0 CIAERN CC(C)c1nn(C)cc1-c1cc(Cl)ccc1F ZINC000675070455 567948777 /nfs/dbraw/zinc/94/87/77/567948777.db2.gz ZFULOBNGYQWZRI-UHFFFAOYSA-N 0 0 252.720 4.003 10 0 CIAERN FC(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC000584880947 570229049 /nfs/dbraw/zinc/22/90/49/570229049.db2.gz JHLPSZPQMAIQQU-UHFFFAOYSA-N 0 0 263.671 4.482 10 0 CIAERN Clc1ncnc2scc(-c3ccsc3)c21 ZINC000584882714 570229428 /nfs/dbraw/zinc/22/94/28/570229428.db2.gz ZVFJYKPXXUPAJK-UHFFFAOYSA-N 0 0 252.751 4.073 10 0 CIAERN Cc1nn(C(C)C)cc1NCc1cccc(Cl)c1 ZINC000725242460 570254866 /nfs/dbraw/zinc/25/48/66/570254866.db2.gz HPSXPVWMGBUHOV-UHFFFAOYSA-N 0 0 263.772 4.038 10 0 CIAERN CCCOc1ccc(Br)cc1OCCC ZINC000003048063 570278360 /nfs/dbraw/zinc/27/83/60/570278360.db2.gz LHSMRDVEXOARFJ-UHFFFAOYSA-N 0 0 273.170 4.027 10 0 CIAERN CCc1cc(C(F)F)nc2cc(Br)ccc12 ZINC000669371997 570350673 /nfs/dbraw/zinc/35/06/73/570350673.db2.gz GOTVHZCWMJMASU-UHFFFAOYSA-N 0 0 286.119 4.497 10 0 CIAERN Cc1cccc(-n2nc(C(C)C)c3c2CCCC3=O)c1C ZINC000064543234 570358591 /nfs/dbraw/zinc/35/85/91/570358591.db2.gz VFBIPRMWQBSNTA-UHFFFAOYSA-N 0 0 282.387 4.132 10 0 CIAERN Cc1cc(-c2cc(Cl)cs2)c(C)cc1C=O ZINC000675073044 570366937 /nfs/dbraw/zinc/36/69/37/570366937.db2.gz PSMLXSGYPCLGKM-UHFFFAOYSA-N 0 0 250.750 4.498 10 0 CIAERN Cc1cc(-c2cc(F)c(F)c(F)c2)c(C)cc1C=O ZINC000675072779 570366962 /nfs/dbraw/zinc/36/69/62/570366962.db2.gz LWMZAMFLPDSHAI-UHFFFAOYSA-N 0 0 264.246 4.200 10 0 CIAERN CC(C)(C)C(=O)c1cc2c(cccc2Br)o1 ZINC000675081143 570368739 /nfs/dbraw/zinc/36/87/39/570368739.db2.gz JGPKWYLYJOGZQF-UHFFFAOYSA-N 0 0 281.149 4.424 10 0 CIAERN CC[C@@H](C)C(=O)c1cc2c(cccc2Br)o1 ZINC000675081044 570368831 /nfs/dbraw/zinc/36/88/31/570368831.db2.gz DOGCGWBIHXTPIP-MRVPVSSYSA-N 0 0 281.149 4.424 10 0 CIAERN O=C(CC1CC1)c1cc2cc(Br)ccc2o1 ZINC000675081116 570368878 /nfs/dbraw/zinc/36/88/78/570368878.db2.gz HKKJISDKKJJDNM-UHFFFAOYSA-N 0 0 279.133 4.178 10 0 CIAERN O[C@@H](CC/C=C\c1ccccc1)CCc1ccccc1 ZINC000015121956 571732377 /nfs/dbraw/zinc/73/23/77/571732377.db2.gz DPRCKWANIKZGTF-INWINEHPSA-N 0 0 266.384 4.474 10 0 endogenous,in-man CIAERN CCCCC[C@@H]1CC(=O)c2cc(Cl)ccc2O1 ZINC000095552804 185008204 /nfs/dbraw/zinc/00/82/04/185008204.db2.gz AWOIMUAXBUEJBE-LLVKDONJSA-N 0 0 252.741 4.254 10 0 CIAERN CC(C)(C)Oc1cc(Br)cc(OC2CC2)c1 ZINC000095721000 185019328 /nfs/dbraw/zinc/01/93/28/185019328.db2.gz GAIHNTLHBBAHAT-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)(C)Oc1cccc(Br)c1OC1CC1 ZINC000095721863 185020074 /nfs/dbraw/zinc/02/00/74/185020074.db2.gz IKNJVXROXZRAGE-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)(C)c1ccc(Br)c(OC2CC2)c1 ZINC000095723895 185020768 /nfs/dbraw/zinc/02/07/68/185020768.db2.gz YZOKHPOZYBIPCB-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN Oc1ccc(Br)c(CC2CCCCC2)c1 ZINC000095724417 185021133 /nfs/dbraw/zinc/02/11/33/185021133.db2.gz GXWDDGVALDGYME-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN CC(C)c1ccc(OC2CC2)cc1Br ZINC000095726234 185021826 /nfs/dbraw/zinc/02/18/26/185021826.db2.gz AXXKVUWXQLTWMK-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN Cc1cccc(-c2nc(Cl)cc(Cl)n2)c1C ZINC000082473730 178044929 /nfs/dbraw/zinc/04/49/29/178044929.db2.gz TVJQXONPDNJXAF-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN FC(F)(F)c1cc(Br)cc(OC2CC2)c1 ZINC000095742001 185024635 /nfs/dbraw/zinc/02/46/35/185024635.db2.gz MJUPFCSYYYLEBB-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN FC(F)(F)c1cc(NC2CCCCCC2)nc(Cl)n1 ZINC000082501778 178065900 /nfs/dbraw/zinc/06/59/00/178065900.db2.gz FFSSAHGEJQQVEN-UHFFFAOYSA-N 0 0 293.720 4.284 10 0 CIAERN Clc1nc(NCc2ccccc2)cc(-c2ccccc2)n1 ZINC000082501869 178066291 /nfs/dbraw/zinc/06/62/91/178066291.db2.gz AEVXQMNLTXQCSP-UHFFFAOYSA-N 0 0 295.773 4.409 10 0 CIAERN CCCc1nc(Cl)cc(NCc2ccc(Cl)cc2)n1 ZINC000082509809 178076622 /nfs/dbraw/zinc/07/66/22/178076622.db2.gz CSDRIKJCGFGISK-UHFFFAOYSA-N 0 0 296.201 4.348 10 0 CIAERN Fc1ccc(-c2cc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000095803087 185027667 /nfs/dbraw/zinc/02/76/67/185027667.db2.gz YGUVWDVCHIXIDY-UHFFFAOYSA-N 0 0 280.224 4.388 10 0 CIAERN Clc1cc(OCc2ccccc2)cnc1Br ZINC000095829911 185028520 /nfs/dbraw/zinc/02/85/20/185028520.db2.gz BCQADVYYDAZODF-UHFFFAOYSA-N 0 0 298.567 4.077 10 0 CIAERN COC(=O)c1ccc(F)cc1Oc1ccc(Cl)cc1 ZINC000095917656 185030666 /nfs/dbraw/zinc/03/06/66/185030666.db2.gz LPOOFGKTNUOVAL-UHFFFAOYSA-N 0 0 280.682 4.058 10 0 CIAERN Fc1ccc(F)c(COc2ccc(Br)cc2)c1 ZINC000095915342 185030436 /nfs/dbraw/zinc/03/04/36/185030436.db2.gz BNXLIVINIHVSPH-UHFFFAOYSA-N 0 0 299.114 4.306 10 0 CIAERN Cc1ccc(C)c(C(=O)c2ccc(F)c(Cl)c2)c1 ZINC000095916824 185030561 /nfs/dbraw/zinc/03/05/61/185030561.db2.gz IIDRYAYNUVDPDJ-UHFFFAOYSA-N 0 0 262.711 4.327 10 0 CIAERN c1ccc(C[C@H]2CN=C(c3ccc4ccccc4c3)O2)cc1 ZINC000095930946 185032355 /nfs/dbraw/zinc/03/23/55/185032355.db2.gz PGJOFUJCHHRIJO-IBGZPJMESA-N 0 0 287.362 4.228 10 0 CIAERN S=C(Oc1ccc(Cl)cc1)c1ccnc(Cl)c1 ZINC000095932737 185032904 /nfs/dbraw/zinc/03/29/04/185032904.db2.gz YLOWRMZXLLTNHB-UHFFFAOYSA-N 0 0 284.167 4.143 10 0 CIAERN CCCCCC1=C(C(=O)OCC)CC[C@H]2CCCCN12 ZINC000095933440 185033351 /nfs/dbraw/zinc/03/33/51/185033351.db2.gz ZQMZPBBYULFFHJ-CQSZACIVSA-N 0 0 279.424 4.032 10 0 CIAERN COc1cc2nc(Cl)cc3cc(Cl)[nH]c(c1OC)c32 ZINC000095938421 185035067 /nfs/dbraw/zinc/03/50/67/185035067.db2.gz PUZJIIGDGYNRES-UHFFFAOYSA-N 0 0 297.141 4.040 10 0 CIAERN Cc1cc(C)c(NC(=O)c2cccc(Cl)c2N)c(C)c1 ZINC000082698827 178199525 /nfs/dbraw/zinc/19/95/25/178199525.db2.gz PPPAQRPJWIBKFB-UHFFFAOYSA-N 0 0 288.778 4.100 10 0 CIAERN CCC(=O)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000082709048 178218811 /nfs/dbraw/zinc/21/88/11/178218811.db2.gz TYUJLABYXWNMFS-UHFFFAOYSA-N 0 0 261.324 4.495 10 0 CIAERN COc1ccc(Cl)cc1-c1cc(C(C)=O)ccc1F ZINC000082709167 178219279 /nfs/dbraw/zinc/21/92/79/178219279.db2.gz DCQRRDZWZDYXRF-UHFFFAOYSA-N 0 0 278.710 4.357 10 0 CIAERN COc1ccc(-c2cc(C(C)=O)ccc2F)cc1Cl ZINC000082709177 178219649 /nfs/dbraw/zinc/21/96/49/178219649.db2.gz BPEQLCJCGBYRPC-UHFFFAOYSA-N 0 0 278.710 4.357 10 0 CIAERN CCOc1ccc2nc(NCCc3ccccc3)sc2c1 ZINC000082727219 178243542 /nfs/dbraw/zinc/24/35/42/178243542.db2.gz CDFWFFMKOKAYTB-UHFFFAOYSA-N 0 0 298.411 4.350 10 0 CIAERN COc1ccc2nc(NC3CCCCC3)sc2c1 ZINC000082727246 178243867 /nfs/dbraw/zinc/24/38/67/178243867.db2.gz FEESOFMTGDXJSH-UHFFFAOYSA-N 0 0 262.378 4.050 10 0 CIAERN O[C@H](c1cc2cc(Cl)ccc2o1)c1cccs1 ZINC000083160753 178345370 /nfs/dbraw/zinc/34/53/70/178345370.db2.gz RJXVBNAAFCYYFA-CYBMUJFWSA-N 0 0 264.733 4.229 10 0 CIAERN O[C@@H](c1cc2cc(Cl)ccc2o1)c1cccs1 ZINC000083160755 178345473 /nfs/dbraw/zinc/34/54/73/178345473.db2.gz RJXVBNAAFCYYFA-ZDUSSCGKSA-N 0 0 264.733 4.229 10 0 CIAERN Cc1cc(Cl)c([C@@H](O)c2cccs2)cc1C ZINC000083165623 178348063 /nfs/dbraw/zinc/34/80/63/178348063.db2.gz QVBGESBOTOOKRM-CYBMUJFWSA-N 0 0 252.766 4.100 10 0 CIAERN FC(F)(F)Cc1ccc(Cl)cc1C(F)(F)F ZINC000096102647 185097618 /nfs/dbraw/zinc/09/76/18/185097618.db2.gz KMYCCDYJBBQQAO-UHFFFAOYSA-N 0 0 262.580 4.464 10 0 CIAERN Cc1ccc(F)cc1CNc1ccc(F)c(F)c1 ZINC000083384350 178388588 /nfs/dbraw/zinc/38/85/88/178388588.db2.gz WIWQZSKCAYPOOV-UHFFFAOYSA-N 0 0 251.251 4.024 10 0 CIAERN Clc1ccccc1NCc1ccncc1Cl ZINC000083394477 178403029 /nfs/dbraw/zinc/40/30/29/178403029.db2.gz QPTZOJMAENDCHV-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN CC(C)(C)c1nc2c(cccc2Br)s1 ZINC000096945492 185135983 /nfs/dbraw/zinc/13/59/83/185135983.db2.gz DXRXXLDAZYOPEU-UHFFFAOYSA-N 0 0 270.195 4.356 10 0 CIAERN Cc1cccc(N)c1NCc1cccc2ccccc21 ZINC000083456612 178471197 /nfs/dbraw/zinc/47/11/97/178471197.db2.gz CLHDZLPMYMQEOQ-UHFFFAOYSA-N 0 0 262.356 4.343 10 0 CIAERN O=C(c1ccccc1)c1cnc2ccccc2c1Cl ZINC000085345625 179028225 /nfs/dbraw/zinc/02/82/25/179028225.db2.gz WAQZZQHJABOYRY-UHFFFAOYSA-N 0 0 267.715 4.119 10 0 CIAERN c1ccc(N[C@@H](Cc2ccncc2)c2ccccc2)cc1 ZINC000098178231 185698052 /nfs/dbraw/zinc/69/80/52/185698052.db2.gz PCAJNECRVNQDGM-IBGZPJMESA-N 0 0 274.367 4.478 10 0 CIAERN C[C@H](c1cc2ccccc2[nH]1)N(C)c1ccccc1 ZINC000098179163 185698434 /nfs/dbraw/zinc/69/84/34/185698434.db2.gz FKTOWMPQBCNOPZ-CYBMUJFWSA-N 0 0 250.345 4.365 10 0 CIAERN Cc1cc2c(s1)C[C@@H](C)N1C(=O)O[C@H](c3ccccc3)[C@H]21 ZINC000100308389 185711521 /nfs/dbraw/zinc/71/15/21/185711521.db2.gz NUARZZJUXSGPHN-HPEXNQPKSA-N 0 0 299.395 4.236 10 0 CIAERN C[C@H](Nc1ccc(F)c(C(F)(F)F)c1)C1(C)CC1 ZINC000103982193 185874573 /nfs/dbraw/zinc/87/45/73/185874573.db2.gz OSDJTYOYTCHOMM-QMMMGPOBSA-N 0 0 261.262 4.445 10 0 CIAERN C[C@@H]1CCCC[C@H]1Oc1nc(Cl)nc2ccccc21 ZINC000104006601 185881013 /nfs/dbraw/zinc/88/10/13/185881013.db2.gz ZLBBSAZVZMOWAU-ZWNOBZJWSA-N 0 0 276.767 4.241 10 0 CIAERN CC(C)C1CCC(CO)(Nc2ccc(Cl)cc2)CC1 ZINC000104033132 185884362 /nfs/dbraw/zinc/88/43/62/185884362.db2.gz JOFBEROTFPKNFJ-UHFFFAOYSA-N 0 0 281.827 4.329 10 0 CIAERN CCc1ccc(N(C)c2ccc(Br)cn2)cc1 ZINC000103985803 185875852 /nfs/dbraw/zinc/87/58/52/185875852.db2.gz FTAJLFDCVKKZBU-UHFFFAOYSA-N 0 0 291.192 4.174 10 0 CIAERN CCCNc1ccnc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000103991895 185877446 /nfs/dbraw/zinc/87/74/46/185877446.db2.gz OGDFUGLGENEDPL-UHFFFAOYSA-N 0 0 282.174 4.272 10 0 CIAERN C[C@@H]1CCC[C@@H](C)C1Nc1cc(F)c(F)c(F)c1 ZINC000103990884 185877605 /nfs/dbraw/zinc/87/76/05/185877605.db2.gz UZFOGIYAUIQZDX-RKDXNWHRSA-N 0 0 257.299 4.341 10 0 CIAERN Clc1nc(Cc2cccs2)nc2c1CCCCC2 ZINC000104051687 185886175 /nfs/dbraw/zinc/88/61/75/185886175.db2.gz SCEMSEDDSUQXIN-UHFFFAOYSA-N 0 0 278.808 4.051 10 0 CIAERN CCOc1cccc(Oc2ccc(Br)cc2)n1 ZINC000104104252 185895850 /nfs/dbraw/zinc/89/58/50/185895850.db2.gz JOQSLLRWGFLPTR-UHFFFAOYSA-N 0 0 294.148 4.035 10 0 CIAERN CCCc1c(Cl)nc(-c2ccccc2OC)nc1Cl ZINC000104130093 185902621 /nfs/dbraw/zinc/90/26/21/185902621.db2.gz COKIHYCHKUAJET-UHFFFAOYSA-N 0 0 297.185 4.412 10 0 CIAERN Cc1ccc2c(c1)[nH]c(=S)n2CCC1CCCC1 ZINC000104164758 185915636 /nfs/dbraw/zinc/91/56/36/185915636.db2.gz PAJUVKDHBYFYTM-UHFFFAOYSA-N 0 0 260.406 4.214 10 0 CIAERN Cc1ccc(Nc2ccc(Cl)cc2C(N)=S)cc1 ZINC000104177718 185916684 /nfs/dbraw/zinc/91/66/84/185916684.db2.gz OLCMLWWWPSJTJX-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN CCN(c1ccc(C)cc1)c1ccc(C=O)c(C)c1 ZINC000104173743 185917414 /nfs/dbraw/zinc/91/74/14/185917414.db2.gz JSCGTYRDVNBUHV-UHFFFAOYSA-N 0 0 253.345 4.274 10 0 CIAERN Nc1ccc(OCc2ccsc2)c2ccccc12 ZINC000104196866 185925113 /nfs/dbraw/zinc/92/51/13/185925113.db2.gz PVNKRZPJKIVLTD-UHFFFAOYSA-N 0 0 255.342 4.063 10 0 CIAERN Cc1cccc(Sc2nc(C)nc(Cl)c2C)c1 ZINC000104204598 185929663 /nfs/dbraw/zinc/92/96/63/185929663.db2.gz FDMASIIFXMUOKY-UHFFFAOYSA-N 0 0 264.781 4.206 10 0 CIAERN CCc1c(Cl)ncnc1NC1CCCCCCC1 ZINC000104206998 185931211 /nfs/dbraw/zinc/93/12/11/185931211.db2.gz GAGQNQRZDZSHLG-UHFFFAOYSA-N 0 0 267.804 4.217 10 0 CIAERN Cc1c(Cl)ncnc1-c1ccc(C(F)(F)F)cc1 ZINC000088674509 179649492 /nfs/dbraw/zinc/64/94/92/179649492.db2.gz FWHNFPGLIDMZBO-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN Nc1ccc(OCc2ccccc2Cl)c(C(F)F)c1 ZINC000104224681 185936175 /nfs/dbraw/zinc/93/61/75/185936175.db2.gz OIPALSJEBZNOQU-UHFFFAOYSA-N 0 0 283.705 4.439 10 0 CIAERN CCCc1c(Cl)ncnc1N[C@@H](C)C1CCCCC1 ZINC000104228036 185936529 /nfs/dbraw/zinc/93/65/29/185936529.db2.gz LKCNMQDXBLYUOP-NSHDSACASA-N 0 0 281.831 4.463 10 0 CIAERN CCCC[C@@H](CC)COc1ncnc(Cl)c1CC ZINC000104229352 185936786 /nfs/dbraw/zinc/93/67/86/185936786.db2.gz SXPLQMDURUAJDO-LLVKDONJSA-N 0 0 270.804 4.288 10 0 CIAERN Cc1ccc(-n2ncc3c2cccc3Br)cc1 ZINC000089196410 179751092 /nfs/dbraw/zinc/75/10/92/179751092.db2.gz SUIRZLQAUSPAHP-UHFFFAOYSA-N 0 0 287.160 4.096 10 0 CIAERN CC[C@H]1CCCC[C@H]1Oc1cccc2c1CCC2=O ZINC000104379121 185986955 /nfs/dbraw/zinc/98/69/55/185986955.db2.gz WTIUUTKKWYAAEJ-BLLLJJGKSA-N 0 0 258.361 4.163 10 0 CIAERN Cc1ccc(Cn2ccc3cc(F)ccc32)cc1C ZINC000104421214 185996194 /nfs/dbraw/zinc/99/61/94/185996194.db2.gz ILRKGVWKKHWWPA-UHFFFAOYSA-N 0 0 253.320 4.446 10 0 CIAERN Clc1ccc(CNc2cncc(-c3ccncc3)c2)cc1 ZINC000090487573 179991436 /nfs/dbraw/zinc/99/14/36/179991436.db2.gz CAXJQDAJNRVVDT-UHFFFAOYSA-N 0 0 295.773 4.409 10 0 CIAERN COc1cc2oc(C)c(-c3ccccc3OC)c2c(OC)c1 ZINC000090527906 179997762 /nfs/dbraw/zinc/99/77/62/179997762.db2.gz CQQVOCDFGIFPEK-UHFFFAOYSA-N 0 0 298.338 4.434 10 0 CIAERN COc1cc2oc(C)c(Cc3ccccc3)c2c(OC)c1 ZINC000090528139 179998145 /nfs/dbraw/zinc/99/81/45/179998145.db2.gz MCLOZRMQAPPVDT-UHFFFAOYSA-N 0 0 282.339 4.349 10 0 CIAERN COc1ccc(F)cc1C(=O)C[C@@H](C)C(C)(C)C ZINC000104432720 186000496 /nfs/dbraw/zinc/00/04/96/186000496.db2.gz KKLXPGWDKXHMQS-SNVBAGLBSA-N 0 0 252.329 4.089 10 0 CIAERN Cc1nc2cc(NCC3(C)CCCC3)c(N)cc2s1 ZINC000104433546 186000557 /nfs/dbraw/zinc/00/05/57/186000557.db2.gz FUXVJBPBRMGXND-UHFFFAOYSA-N 0 0 275.421 4.179 10 0 CIAERN CCC(CC)[C@H](C)Nc1ncccc1C(F)(F)F ZINC000104440900 186002936 /nfs/dbraw/zinc/00/29/36/186002936.db2.gz XARWYVQSSKGFKJ-VIFPVBQESA-N 0 0 260.303 4.337 10 0 CIAERN COc1ccc([C@@H](O)C[C@H](C)C(C)(C)C)cc1Cl ZINC000104450173 186006814 /nfs/dbraw/zinc/00/68/14/186006814.db2.gz FCYWSDMDDLBUIF-GWCFXTLKSA-N 0 0 270.800 4.454 10 0 CIAERN FC(F)Oc1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000091362271 180141454 /nfs/dbraw/zinc/14/14/54/180141454.db2.gz XNCTUIQIOIVXNS-UHFFFAOYSA-N 0 0 289.203 4.369 10 0 CIAERN CCCc1cc(NCC)c2cc(F)c(F)c(F)c2n1 ZINC000110114404 186285834 /nfs/dbraw/zinc/28/58/34/186285834.db2.gz JYKPJNMFMRBONG-UHFFFAOYSA-N 0 0 268.282 4.036 10 0 CIAERN CCc1nc(-c2ccccc2Cl)nc(Cl)c1C ZINC000110466300 186297161 /nfs/dbraw/zinc/29/71/61/186297161.db2.gz BKDHFFNZMVIOJI-UHFFFAOYSA-N 0 0 267.159 4.321 10 0 CIAERN C[C@@H](Cc1cccs1)Nc1ccc(N)cc1Cl ZINC000110459936 186297536 /nfs/dbraw/zinc/29/75/36/186297536.db2.gz VYWSIBHUGYPHIW-VIFPVBQESA-N 0 0 266.797 4.027 10 0 CIAERN OCc1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000111572176 186429122 /nfs/dbraw/zinc/42/91/22/186429122.db2.gz JNYUUEAUMDJKPH-UHFFFAOYSA-N 0 0 268.740 4.123 10 0 CIAERN CC1(C)C=C[C@](c2ccncc2)(c2ccc(Cl)cc2)O1 ZINC000169344283 188659744 /nfs/dbraw/zinc/65/97/44/188659744.db2.gz LRUHCOITJWNQBS-QGZVFWFLSA-N 0 0 285.774 4.344 10 0 CIAERN CC(=O)Oc1ccc2oc(-c3ccccc3)cc2c1 ZINC000196460062 189682797 /nfs/dbraw/zinc/68/27/97/189682797.db2.gz OJIXPBVRXVNNGI-UHFFFAOYSA-N 0 0 252.269 4.025 10 0 CIAERN Cc1ccccc1-c1nc2cccc(F)c2c(=S)[nH]1 ZINC000334163879 206123855 /nfs/dbraw/zinc/12/38/55/206123855.db2.gz SMIGVKLCBRXZGQ-UHFFFAOYSA-N 0 0 270.332 4.033 10 0 CIAERN Fc1c(Cl)c(C(F)(F)F)cc2c(Cl)ncnc12 ZINC000261508690 190040113 /nfs/dbraw/zinc/04/01/13/190040113.db2.gz VWVULWUDDKYEGT-UHFFFAOYSA-N 0 0 285.027 4.095 10 0 CIAERN CCn1c(-c2ccc(Cl)cc2)csc1=NCC1CC1 ZINC000000164166 169560230 /nfs/dbraw/zinc/56/02/30/169560230.db2.gz HYRJESYJHBHNFR-UHFFFAOYSA-O 0 0 293.843 4.198 10 0 CIAERN CCCc1ccc(-c2ccc(OC(F)F)cc2)nc1 ZINC000000246193 169586079 /nfs/dbraw/zinc/58/60/79/169586079.db2.gz WXMGNEUOUCHXAP-UHFFFAOYSA-N 0 0 263.287 4.303 10 0 CIAERN COc1cc(Cl)c(NC2CCC(C)CC2)cc1OC ZINC000037043641 184538522 /nfs/dbraw/zinc/53/85/22/184538522.db2.gz JZKYHEQLIJTAHT-UHFFFAOYSA-N 0 0 283.799 4.348 10 0 CIAERN CSc1ccc(N[C@H](C)c2ccc(F)cc2Cl)nn1 ZINC000301277823 532984201 /nfs/dbraw/zinc/98/42/01/532984201.db2.gz MOXMOFPWGCKOJI-MRVPVSSYSA-N 0 0 297.786 4.164 10 0 CIAERN c1ccc([C@@H]2C[C@H]3CC4(CCCCCC4)N2O3)cc1 ZINC000001100912 169690370 /nfs/dbraw/zinc/69/03/70/169690370.db2.gz AUFXKVZHDQCTCJ-HOTGVXAUSA-N 0 0 257.377 4.230 10 0 CIAERN COc1ccc(OC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000001284218 169694158 /nfs/dbraw/zinc/69/41/58/169694158.db2.gz VWMDBGXFBMBFNL-UHFFFAOYSA-N 0 0 270.328 4.038 10 0 CIAERN CC(C)CSCC(=O)c1cccc2ccccc21 ZINC000095081040 184937544 /nfs/dbraw/zinc/93/75/44/184937544.db2.gz RGSZDEJYJZTPGT-UHFFFAOYSA-N 0 0 258.386 4.412 10 0 CIAERN Clc1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000001504594 169710214 /nfs/dbraw/zinc/71/02/14/169710214.db2.gz BEWJGFNTMGMXBX-UHFFFAOYSA-N 0 0 254.720 4.193 10 0 CIAERN CO[C@@H]1CC[C@@H](Nc2ccc3c(Cl)ccnc3c2F)C1 ZINC000302780024 533431443 /nfs/dbraw/zinc/43/14/43/533431443.db2.gz RBACFFDJXHQSMQ-NXEZZACHSA-N 0 0 294.757 4.007 10 0 CIAERN C[C@@H](Nc1ncccn1)c1cc2cc(Cl)ccc2o1 ZINC000301258679 533566695 /nfs/dbraw/zinc/56/66/95/533566695.db2.gz FHJOGTWFWQHRTK-SECBINFHSA-N 0 0 273.723 4.049 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC000171521207 335068512 /nfs/dbraw/zinc/06/85/12/335068512.db2.gz FMFIEVFABFZYOY-LBPRGKRZSA-N 0 0 289.325 4.424 10 0 CIAERN Cc1cc(=O)cc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000001696561 169744512 /nfs/dbraw/zinc/74/45/12/169744512.db2.gz CCVPIGFDYRAGNW-UHFFFAOYSA-N 0 0 295.769 4.466 10 0 CIAERN COc1ccc2cc(C(=O)c3ccccc3)ccc2c1 ZINC000002510099 169797296 /nfs/dbraw/zinc/79/72/96/169797296.db2.gz NGPLOXCCMGHIEM-UHFFFAOYSA-N 0 0 262.308 4.079 10 0 CIAERN CCn1nc(-c2cc3ccccc3o2)c2c1NCCCC2 ZINC000003697988 169908149 /nfs/dbraw/zinc/90/81/49/169908149.db2.gz YLUFKOJFBQUOBT-UHFFFAOYSA-N 0 0 281.359 4.064 10 0 CIAERN C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000003803651 169913711 /nfs/dbraw/zinc/91/37/11/169913711.db2.gz XIVJYIVQHVLTFZ-OFFHKIPUSA-N 0 0 297.320 4.120 10 0 CIAERN Nc1ccc2sc3c(ncnc3Nc3ccccc3)c2c1 ZINC000003815179 169914245 /nfs/dbraw/zinc/91/42/45/169914245.db2.gz ZRSXJSKLDBKPLV-UHFFFAOYSA-N 0 0 292.367 4.170 10 0 CIAERN O=C(Nc1cccs1)Nc1ccccc1Cl ZINC000004103890 169931702 /nfs/dbraw/zinc/93/17/02/169931702.db2.gz LZVGEBADCUSIGP-UHFFFAOYSA-N 0 0 252.726 4.046 10 0 CIAERN OCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000004290836 169954186 /nfs/dbraw/zinc/95/41/86/169954186.db2.gz RQOCZZOVXXTTPC-UHFFFAOYSA-N 0 0 277.534 4.399 10 0 CIAERN COc1cc(-c2nc3ncccc3o2)cc(C(C)(C)C)c1 ZINC000005138148 170070122 /nfs/dbraw/zinc/07/01/22/170070122.db2.gz SSLOUTYTCBSACF-UHFFFAOYSA-N 0 0 282.343 4.196 10 0 CIAERN Cc1ccc(-c2cc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000005285952 170083221 /nfs/dbraw/zinc/08/32/21/170083221.db2.gz WVGGRNICFAPFKX-UHFFFAOYSA-N 0 0 261.324 4.017 10 0 CIAERN CNc1ccccc1C(O)(c1ccccc1)c1ccccc1 ZINC000005329211 170086221 /nfs/dbraw/zinc/08/62/21/170086221.db2.gz JSLIVRBFEYIVQK-UHFFFAOYSA-N 0 0 289.378 4.013 10 0 CIAERN C[C@@H]1CCCC[C@@H](c2cn(C)c3ccccc23)C1=O ZINC000005330339 170086338 /nfs/dbraw/zinc/08/63/38/170086338.db2.gz JZTRTLPEFCAPPK-OCCSQVGLSA-N 0 0 255.361 4.041 10 0 CIAERN C[C@@H]1CCCC[C@H](c2cn(C)c3ccccc23)C1=O ZINC000005330338 170086345 /nfs/dbraw/zinc/08/63/45/170086345.db2.gz JZTRTLPEFCAPPK-TZMCWYRMSA-N 0 0 255.361 4.041 10 0 CIAERN O=C(c1ccco1)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000005331898 170086760 /nfs/dbraw/zinc/08/67/60/170086760.db2.gz JSGFUOIVMKNPBW-KRWDZBQOSA-N 0 0 277.323 4.316 10 0 CIAERN C=C(c1ccc(OC)cc1)c1ccc(SC)cc1 ZINC000005358942 170089360 /nfs/dbraw/zinc/08/93/60/170089360.db2.gz HPZXPILFWHQQJO-UHFFFAOYSA-N 0 0 256.370 4.479 10 0 CIAERN CCCCCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005418059 170096695 /nfs/dbraw/zinc/09/66/95/170096695.db2.gz XECCOKKCPAICLT-UHFFFAOYSA-N 0 0 261.409 4.294 10 0 CIAERN Cc1ccccc1[C@@H](c1ccccc1)n1nc2ccccc2n1 ZINC000005422808 170097953 /nfs/dbraw/zinc/09/79/53/170097953.db2.gz ZCHTZBPSBBSWNB-HXUWFJFHSA-N 0 0 299.377 4.377 10 0 CIAERN Cc1cc[nH]c2nc(-c3ccc4ccccc4c3)cc(=O)c1-2 ZINC000005504156 170105406 /nfs/dbraw/zinc/10/54/06/170105406.db2.gz QEUHGQVYHUYTFM-UHFFFAOYSA-N 0 0 286.334 4.052 10 0 CIAERN C[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1 ZINC000005527890 170109011 /nfs/dbraw/zinc/10/90/11/170109011.db2.gz WXKAXZKHDLTINQ-NHAQELONSA-N 0 0 285.774 4.231 10 0 CIAERN CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000005591123 170117039 /nfs/dbraw/zinc/11/70/39/170117039.db2.gz CMPCYWOGPRDLGK-ZDUSSCGKSA-N 0 0 291.391 4.018 10 0 CIAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCCNc1ccccc1)C2 ZINC000005705995 170131154 /nfs/dbraw/zinc/13/11/54/170131154.db2.gz HURHHYTXUWZODR-KYJSFNMBSA-N 0 0 273.420 4.330 10 0 CIAERN Cc1cc(Cl)ccc1OC(=O)c1ccccc1C ZINC000005748380 170136664 /nfs/dbraw/zinc/13/66/64/170136664.db2.gz WOMRNNNLXZBYNN-UHFFFAOYSA-N 0 0 260.720 4.176 10 0 CIAERN COc1cccc(-c2nnc(-c3ccccc3C(C)C)[nH]2)c1 ZINC000005761686 170137893 /nfs/dbraw/zinc/13/78/93/170137893.db2.gz IZKOJNOSZADANF-UHFFFAOYSA-N 0 0 293.370 4.271 10 0 CIAERN O[C@@H](CCc1ccccc1)c1ccc(Br)cc1 ZINC000005773383 170139229 /nfs/dbraw/zinc/13/92/29/170139229.db2.gz QFPDMAKCDSRNAQ-HNNXBMFYSA-N 0 0 291.188 4.115 10 0 CIAERN CCN1c2c(C)cc(C)cc2Oc2ncccc2C1=S ZINC000005841320 170146295 /nfs/dbraw/zinc/14/62/95/170146295.db2.gz FPMFGCKVSAMYOU-UHFFFAOYSA-N 0 0 284.384 4.006 10 0 CIAERN O=C(COc1ccccc1Cl)c1cc2ccccc2o1 ZINC000005862406 170148269 /nfs/dbraw/zinc/14/82/69/170148269.db2.gz PWGWPRRJXBHHPV-UHFFFAOYSA-N 0 0 286.714 4.348 10 0 CIAERN CCc1nc(C)n(C)c1Sc1cc(C)cc(C)c1 ZINC000005886894 170150300 /nfs/dbraw/zinc/15/03/00/170150300.db2.gz RTWXCHWGUXTCTR-UHFFFAOYSA-N 0 0 260.406 4.059 10 0 CIAERN CCc1cc(CCc2ccc3ccccc3c2)c(=O)[nH]c1C ZINC000005886996 170150449 /nfs/dbraw/zinc/15/04/49/170150449.db2.gz QALBKNORHKXXTG-UHFFFAOYSA-N 0 0 291.394 4.184 10 0 CIAERN CCc1cc(NCc2cc3ccccc3s2)c(=O)[nH]c1C ZINC000005887218 170150466 /nfs/dbraw/zinc/15/04/66/170150466.db2.gz OADBKKYLMLZYPI-UHFFFAOYSA-N 0 0 298.411 4.073 10 0 CIAERN Cc1cc(C)cc(Sc2c(C(C)C)nc(C=O)n2C)c1 ZINC000005892106 170151063 /nfs/dbraw/zinc/15/10/63/170151063.db2.gz AMAVGABZULUSLQ-UHFFFAOYSA-N 0 0 288.416 4.124 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2CCC(C)CC2)cc1 ZINC000005915768 170155033 /nfs/dbraw/zinc/15/50/33/170155033.db2.gz VUWDUFLPLPCEHW-RMKNXTFCSA-N 0 0 271.404 4.082 10 0 CIAERN CCOC(=O)c1csc2c1CC[C@H](C(C)(C)CC)C2 ZINC000005916884 170155329 /nfs/dbraw/zinc/15/53/29/170155329.db2.gz VCMUVTJFFMXZOY-NSHDSACASA-N 0 0 280.433 4.466 10 0 CIAERN CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)OC[C@H](C)O1 ZINC000006037902 170170133 /nfs/dbraw/zinc/17/01/33/170170133.db2.gz OJMGTOSDJXUMLL-SQWLQELKSA-N 0 0 252.398 4.301 10 0 CIAERN CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)OC[C@H](C)O1 ZINC000006037918 170170147 /nfs/dbraw/zinc/17/01/47/170170147.db2.gz OJMGTOSDJXUMLL-LZWOXQAQSA-N 0 0 252.398 4.301 10 0 CIAERN CCCN(CCC)C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000006043195 170171192 /nfs/dbraw/zinc/17/11/92/170171192.db2.gz WBCKCHIIIVYOMC-FMIVXFBMSA-N 0 0 273.420 4.472 10 0 CIAERN CCCCN(CCCC)C(=O)[C@H](CC)Oc1ccccc1 ZINC000006042605 170171418 /nfs/dbraw/zinc/17/14/18/170171418.db2.gz ODGZRIDZXNVTDY-KRWDZBQOSA-N 0 0 291.435 4.273 10 0 CIAERN Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 ZINC000006069871 170173543 /nfs/dbraw/zinc/17/35/43/170173543.db2.gz MMZAEMNNHWYQKW-QWHCGFSZSA-N 0 0 258.361 4.312 10 0 CIAERN COc1cccc(-c2nnc(-c3cc(Cl)ccc3C)[nH]2)c1 ZINC000006071271 170173977 /nfs/dbraw/zinc/17/39/77/170173977.db2.gz NLHQVGDLVPMMNP-UHFFFAOYSA-N 0 0 299.761 4.109 10 0 CIAERN O=C(c1ccccc1)[C@@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000006116175 170176794 /nfs/dbraw/zinc/17/67/94/170176794.db2.gz DNNDHIKCLIZHBH-MJGOQNOKSA-N 0 0 296.366 4.154 10 0 CIAERN Cc1ccc(OCCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000006151972 170179336 /nfs/dbraw/zinc/17/93/36/170179336.db2.gz OZFIWXJDRZXCQF-UHFFFAOYSA-N 0 0 297.398 4.328 10 0 CIAERN O=C(Nc1ccccc1-n1cccc1)c1ccccc1Cl ZINC000006392575 170197616 /nfs/dbraw/zinc/19/76/16/170197616.db2.gz IDAPCJOKXWTUKF-UHFFFAOYSA-N 0 0 296.757 4.383 10 0 CIAERN CCC(CC)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000006591675 170217546 /nfs/dbraw/zinc/21/75/46/170217546.db2.gz PVFTYDRDGNYAQU-QLFDAEIZSA-N 0 0 277.452 4.144 10 0 CIAERN Cc1cccc2oc(-c3ccc(N)cc3Cl)nc21 ZINC000006688273 170226312 /nfs/dbraw/zinc/22/63/12/170226312.db2.gz XPTICPWPSSQSGA-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN CC(C)=CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000006856602 170250057 /nfs/dbraw/zinc/25/00/57/170250057.db2.gz HNHYDNUYYBTHEM-UHFFFAOYSA-N 0 0 268.356 4.370 10 0 CIAERN COc1ccc(-c2nc(NC(C)(C)C)sc2C)cc1 ZINC000007844561 170305052 /nfs/dbraw/zinc/30/50/52/170305052.db2.gz JVSULZCQSAGGSY-UHFFFAOYSA-N 0 0 276.405 4.338 10 0 CIAERN CCOC(=O)c1c(C)c2ccccc2nc1-c1ccccc1 ZINC000007847526 170305183 /nfs/dbraw/zinc/30/51/83/170305183.db2.gz DWDLYPUBZQXXAD-UHFFFAOYSA-N 0 0 291.350 4.387 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1cccs1 ZINC000007885797 170306114 /nfs/dbraw/zinc/30/61/14/170306114.db2.gz LLZIXYZZGSSYQF-NHYWBVRUSA-N 0 0 286.400 4.113 10 0 CIAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccs1 ZINC000007885793 170306218 /nfs/dbraw/zinc/30/62/18/170306218.db2.gz LLZIXYZZGSSYQF-IAQYHMDHSA-N 0 0 286.400 4.113 10 0 CIAERN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1c(C)cccc1C ZINC000008163179 170322084 /nfs/dbraw/zinc/32/20/84/170322084.db2.gz HUUQWSPCVLHSOH-INIZCTEOSA-N 0 0 297.398 4.326 10 0 CIAERN Oc1ccc(-c2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000008297672 170329485 /nfs/dbraw/zinc/32/94/85/170329485.db2.gz GNVWJJQMPUWLHR-UHFFFAOYSA-N 0 0 289.306 4.461 10 0 CIAERN CCOc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1 ZINC000008324259 170330983 /nfs/dbraw/zinc/33/09/83/170330983.db2.gz VDGOMAPNJVWOAS-UHFFFAOYSA-N 0 0 298.386 4.030 10 0 CIAERN COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000008369788 170333347 /nfs/dbraw/zinc/33/33/47/170333347.db2.gz SBZHQCZZNFTFKC-AWEZNQCLSA-N 0 0 298.386 4.195 10 0 CIAERN Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2)c(Cl)n1 ZINC000008491491 170337738 /nfs/dbraw/zinc/33/77/38/170337738.db2.gz GWOYBOOXQMOSEO-UHFFFAOYSA-N 0 0 295.169 4.258 10 0 CIAERN Cc1ccc(C2=NN[C@@H](c3ccccc3Cl)C2)cc1 ZINC000008550060 170339678 /nfs/dbraw/zinc/33/96/78/170339678.db2.gz CMHDVYMEYAONCR-MRXNPFEDSA-N 0 0 270.763 4.087 10 0 CIAERN CC(C)Cn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000008787288 170355968 /nfs/dbraw/zinc/35/59/68/170355968.db2.gz PZGFXTIKDZDBJV-UHFFFAOYSA-N 0 0 268.335 4.498 10 0 CIAERN c1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2[nH]1 ZINC000009243254 170368143 /nfs/dbraw/zinc/36/81/43/170368143.db2.gz MLGCQZCDRQNUGF-UHFFFAOYSA-N 0 0 252.361 4.031 10 0 CIAERN COc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009280432 170370041 /nfs/dbraw/zinc/37/00/41/170370041.db2.gz AEYJBZVCFPQPKZ-FHLIZLRMSA-N 0 0 299.345 4.079 10 0 CIAERN Fc1ccc([C@@H]2Nc3ccccc3[C@H]3OCC[C@H]32)cc1 ZINC000009280429 170370151 /nfs/dbraw/zinc/37/01/51/170370151.db2.gz VYXWNIZYJSGXNA-BHYGNILZSA-N 0 0 269.319 4.070 10 0 CIAERN Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccc(C)cc1 ZINC000009330685 170372363 /nfs/dbraw/zinc/37/23/63/170372363.db2.gz FIOOCBGAODVVKK-UHFFFAOYSA-N 0 0 297.427 4.167 10 0 CIAERN Cc1ccc2oc(-c3ccc(NC(=O)C4CC4)cc3)nc2c1 ZINC000010148866 170398430 /nfs/dbraw/zinc/39/84/30/170398430.db2.gz UEMVZRANHDHYDD-UHFFFAOYSA-N 0 0 292.338 4.152 10 0 CIAERN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C ZINC000011637140 170430253 /nfs/dbraw/zinc/43/02/53/170430253.db2.gz VEYBBTXPZRIZDX-GOSISDBHSA-N 0 0 297.398 4.408 10 0 CIAERN CCCCCCNc1nc(Cl)nc2ccccc21 ZINC000011756453 170439007 /nfs/dbraw/zinc/43/90/07/170439007.db2.gz QVAADESTBBLQAB-UHFFFAOYSA-N 0 0 263.772 4.275 10 0 CIAERN Fc1ccc(Nc2nc(Cl)nc3ccccc32)cc1 ZINC000011756222 170439207 /nfs/dbraw/zinc/43/92/07/170439207.db2.gz FTDWYVGZHYGGTC-UHFFFAOYSA-N 0 0 273.698 4.166 10 0 CIAERN COc1cccc(Nc2nc(Cl)nc3ccccc32)c1 ZINC000011756248 170439220 /nfs/dbraw/zinc/43/92/20/170439220.db2.gz MNBFVXCBROXYLN-UHFFFAOYSA-N 0 0 285.734 4.035 10 0 CIAERN O=C1CC2(CCCCCC2)Oc2ccc(Cl)cc21 ZINC000012727045 170504853 /nfs/dbraw/zinc/50/48/53/170504853.db2.gz RGZWOMLIBXHCFL-UHFFFAOYSA-N 0 0 264.752 4.398 10 0 CIAERN c1csc(-c2nccc3c4ccccc4[nH]c32)c1 ZINC000012942021 170522247 /nfs/dbraw/zinc/52/22/47/170522247.db2.gz VINZHXJVOFAMRY-UHFFFAOYSA-N 0 0 250.326 4.445 10 0 CIAERN COc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1F ZINC000013607890 170568981 /nfs/dbraw/zinc/56/89/81/170568981.db2.gz AVJZUVPZSSJOSY-IHWYPQMZSA-N 0 0 282.236 4.422 10 0 CIAERN O=C(OCCCc1ccccc1)c1ccc(Cl)cc1 ZINC000013996731 170614744 /nfs/dbraw/zinc/61/47/44/170614744.db2.gz AAZZDRBXFHKJNG-UHFFFAOYSA-N 0 0 274.747 4.130 10 0 CIAERN Cc1cccc(C(C)C)c1NC(=O)c1cccc(N)c1C ZINC000019401475 170785156 /nfs/dbraw/zinc/78/51/56/170785156.db2.gz JCRRPWQWKBYHJG-UHFFFAOYSA-N 0 0 282.387 4.261 10 0 CIAERN Nc1cc(-c2ccccc2)nc2ccc(Cl)cc12 ZINC000019721354 170843281 /nfs/dbraw/zinc/84/32/81/170843281.db2.gz UFZPHDDHXDVTNZ-UHFFFAOYSA-N 0 0 254.720 4.137 10 0 CIAERN Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1Cl ZINC000019803623 170873130 /nfs/dbraw/zinc/87/31/30/170873130.db2.gz RHZRJTJCTNMHSP-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1ccc(N)c(OCc2ccc(OC(F)(F)F)cc2)c1 ZINC000019806651 170875647 /nfs/dbraw/zinc/87/56/47/170875647.db2.gz CHXVJMTYIOFOGN-UHFFFAOYSA-N 0 0 297.276 4.055 10 0 CIAERN COc1ccc(N)cc1OCc1ccc(C(C)(C)C)cc1 ZINC000019810352 170878850 /nfs/dbraw/zinc/87/88/50/170878850.db2.gz RQWZEEZRZYVYMH-UHFFFAOYSA-N 0 0 285.387 4.154 10 0 CIAERN CC(=O)c1cc(F)ccc1Sc1ccccc1F ZINC000019871722 170902222 /nfs/dbraw/zinc/90/22/22/170902222.db2.gz YFRHEQLFZGOOQZ-UHFFFAOYSA-N 0 0 264.296 4.319 10 0 CIAERN COc1ccc(Sc2ccc(C(C)=O)cc2)cc1 ZINC000019871773 170902318 /nfs/dbraw/zinc/90/23/18/170902318.db2.gz OMVWVHFPZOHHOV-UHFFFAOYSA-N 0 0 258.342 4.049 10 0 CIAERN CC(=O)Nc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000019885931 170909459 /nfs/dbraw/zinc/90/94/59/170909459.db2.gz RIPXYHXTBROZAZ-MLGOLLRUSA-N 0 0 274.408 4.272 10 0 CIAERN COc1ccccc1[C@H](C)Nc1cccc2ncccc21 ZINC000019906816 170919211 /nfs/dbraw/zinc/91/92/11/170919211.db2.gz KUNDVOQQMGCPOM-ZDUSSCGKSA-N 0 0 278.355 4.417 10 0 CIAERN Cc1ccc(C)c([C@H](C)Nc2ccc3c(c2)OCCO3)c1 ZINC000019916250 170925519 /nfs/dbraw/zinc/92/55/19/170925519.db2.gz PVNGRGRLFHZCIT-AWEZNQCLSA-N 0 0 283.371 4.248 10 0 CIAERN CC[C@@H](Nc1ccc(F)c(F)c1)c1ccc(O)cc1 ZINC000019918247 170926510 /nfs/dbraw/zinc/92/65/10/170926510.db2.gz LTTIVVMNCOWZNF-OAHLLOKOSA-N 0 0 263.287 4.234 10 0 CIAERN COc1cc([C@H](C)Nc2ccc(C)c(C)c2)ccc1O ZINC000019920216 170928261 /nfs/dbraw/zinc/92/82/61/170928261.db2.gz DUDRKCUAKJCPOO-ZDUSSCGKSA-N 0 0 271.360 4.191 10 0 CIAERN C[C@H](Nc1ccccc1Br)c1cccnc1 ZINC000019922642 170929361 /nfs/dbraw/zinc/92/93/61/170929361.db2.gz BCCCQSMIFQCMCI-JTQLQIEISA-N 0 0 277.165 4.017 10 0 CIAERN Cc1ccc(CNc2cccc(Br)c2)cc1 ZINC000019923349 170929586 /nfs/dbraw/zinc/92/95/86/170929586.db2.gz DIGHUZHKFWQRJP-UHFFFAOYSA-N 0 0 276.177 4.370 10 0 CIAERN C[C@H](Nc1cccc(Br)c1)c1ccc(O)cc1 ZINC000019941728 170934199 /nfs/dbraw/zinc/93/41/99/170934199.db2.gz PKPHMFRKNGNTCM-JTQLQIEISA-N 0 0 292.176 4.328 10 0 CIAERN C[C@@H](Nc1ccccc1F)c1ccc(F)cc1F ZINC000019944592 170935878 /nfs/dbraw/zinc/93/58/78/170935878.db2.gz PIPAXQXATNUCLA-SECBINFHSA-N 0 0 251.251 4.277 10 0 CIAERN Nc1ccc(SCc2ccc(Cl)c(Cl)c2)nc1 ZINC000019951622 170939616 /nfs/dbraw/zinc/93/96/16/170939616.db2.gz VHONLQVUGXPOLR-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN CCc1cccc(N[C@@H]2CCOc3ccccc32)c1 ZINC000019962305 170944375 /nfs/dbraw/zinc/94/43/75/170944375.db2.gz ZSTCQJSNQMXBCW-MRXNPFEDSA-N 0 0 253.345 4.185 10 0 CIAERN Cc1ccc(N[C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000019964482 170945918 /nfs/dbraw/zinc/94/59/18/170945918.db2.gz NIQSAYKMQKVIJA-AWEZNQCLSA-N 0 0 255.361 4.134 10 0 CIAERN C[C@@H](Nc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000019966336 170947607 /nfs/dbraw/zinc/94/76/07/170947607.db2.gz BINYDLXLIYQBMW-SNVBAGLBSA-N 0 0 298.367 4.198 10 0 CIAERN CCc1ccc(Oc2ccc(F)cc2C(C)=O)cc1 ZINC000019996247 170964396 /nfs/dbraw/zinc/96/43/96/170964396.db2.gz BXXIVRFZKAURNT-UHFFFAOYSA-N 0 0 258.292 4.383 10 0 CIAERN CCc1ccc(COc2ccc(Cl)cc2N)s1 ZINC000020003910 170966548 /nfs/dbraw/zinc/96/65/48/170966548.db2.gz CRESZRZPTUKMNA-UHFFFAOYSA-N 0 0 267.781 4.125 10 0 CIAERN Cc1ccc([C@@H](C)NCc2nc3ccccc3s2)o1 ZINC000020136193 171023620 /nfs/dbraw/zinc/02/36/20/171023620.db2.gz XWOZGZXQHWJYBO-LLVKDONJSA-N 0 0 272.373 4.049 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1cccc(Br)c1 ZINC000020193375 171059427 /nfs/dbraw/zinc/05/94/27/171059427.db2.gz RVEIILPFGPYOCU-SNVBAGLBSA-N 0 0 292.176 4.328 10 0 CIAERN Oc1cccc(NCc2cccc(Cl)c2Cl)c1 ZINC000020194042 171060092 /nfs/dbraw/zinc/06/00/92/171060092.db2.gz XYTADORYERAKHT-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN Fc1ccc(F)c(NCc2ccc3ccccc3n2)c1 ZINC000020246231 171099063 /nfs/dbraw/zinc/09/90/63/171099063.db2.gz KHMSAMPYNAXCLY-UHFFFAOYSA-N 0 0 270.282 4.125 10 0 CIAERN COC(=O)c1ccc(CSc2ccc(C)c(C)c2)cc1 ZINC000020297742 171137645 /nfs/dbraw/zinc/13/76/45/171137645.db2.gz WDHZSACWVGHRQB-UHFFFAOYSA-N 0 0 286.396 4.382 10 0 CIAERN COC(=O)c1ccc(COc2cccc(C(C)C)c2)cc1 ZINC000020298150 171137998 /nfs/dbraw/zinc/13/79/98/171137998.db2.gz URKVSMRQDSNGET-UHFFFAOYSA-N 0 0 284.355 4.176 10 0 CIAERN CC(C)c1ccccc1N[C@H](C)C(=O)NC1CCCCC1 ZINC000020301101 171138978 /nfs/dbraw/zinc/13/89/78/171138978.db2.gz SVEDUKXCPZXTCP-CQSZACIVSA-N 0 0 288.435 4.059 10 0 CIAERN Fc1ccc(Nc2nc3ccccc3s2)c(F)c1 ZINC000020303621 171140543 /nfs/dbraw/zinc/14/05/43/171140543.db2.gz SFUWVTCEKAPFDQ-UHFFFAOYSA-N 0 0 262.284 4.318 10 0 CIAERN CCCCCCNc1ccc(OCC)c(OCC)c1 ZINC000020360352 171159036 /nfs/dbraw/zinc/15/90/36/171159036.db2.gz YVRFCTNIKUUKEI-UHFFFAOYSA-N 0 0 265.397 4.476 10 0 CIAERN COc1ccccc1CNc1cccc(Cl)c1F ZINC000020361680 171160489 /nfs/dbraw/zinc/16/04/89/171160489.db2.gz WLIFVAKEGCNUJJ-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN Nc1nc2ccc(Oc3ccccc3Cl)cc2s1 ZINC000020362699 171161612 /nfs/dbraw/zinc/16/16/12/171161612.db2.gz CSRDQZLKURPOAO-UHFFFAOYSA-N 0 0 276.748 4.324 10 0 CIAERN CCOC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000020368879 171167255 /nfs/dbraw/zinc/16/72/55/171167255.db2.gz AUPCDFJNDUCPON-UHFFFAOYSA-N 0 0 292.419 4.224 10 0 CIAERN Nc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2o1 ZINC000020376190 171170912 /nfs/dbraw/zinc/17/09/12/171170912.db2.gz NATPZBISVJNBCA-UHFFFAOYSA-N 0 0 279.126 4.384 10 0 CIAERN C[C@@H](Nc1ncccc1N)c1ccc(Cl)cc1Cl ZINC000020381410 171172516 /nfs/dbraw/zinc/17/25/16/171172516.db2.gz SUYRTTSSYYTPNS-MRVPVSSYSA-N 0 0 282.174 4.144 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2N)[C@@H]1C ZINC000020383534 171174110 /nfs/dbraw/zinc/17/41/10/171174110.db2.gz WGEUMWAOXQABNA-GIPNMCIBSA-N 0 0 252.789 4.159 10 0 CIAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000020389668 171178749 /nfs/dbraw/zinc/17/87/49/171178749.db2.gz BJJUECSLYIPBPD-OAHLLOKOSA-N 0 0 257.720 4.134 10 0 CIAERN COC(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000020391544 171180352 /nfs/dbraw/zinc/18/03/52/171180352.db2.gz LASMGMYSMQZRNT-UHFFFAOYSA-N 0 0 281.138 4.447 10 0 CIAERN COc1ccc(-c2nnc(SC)c3ccccc32)cc1 ZINC000020412789 171182991 /nfs/dbraw/zinc/18/29/91/171182991.db2.gz OUHSJCGUAJFSEC-UHFFFAOYSA-N 0 0 282.368 4.027 10 0 CIAERN Cc1cc(C=O)cc(C)c1OCCCc1ccccc1 ZINC000020424522 171191357 /nfs/dbraw/zinc/19/13/57/171191357.db2.gz DKVNFHFVCPAYGC-UHFFFAOYSA-N 0 0 268.356 4.128 10 0 CIAERN Cc1cc(C)c(C)c(Oc2ccccc2C(N)=S)c1 ZINC000020425573 171192208 /nfs/dbraw/zinc/19/22/08/171192208.db2.gz UQNIJCPPEKOJEJ-UHFFFAOYSA-N 0 0 271.385 4.038 10 0 CIAERN OCc1c(Cl)cccc1OCc1ccccc1Cl ZINC000020435124 171200666 /nfs/dbraw/zinc/20/06/66/171200666.db2.gz TZFHZNZJSQAQFX-UHFFFAOYSA-N 0 0 283.154 4.065 10 0 CIAERN Cc1cc(Oc2ccc(CO)cc2F)ccc1Cl ZINC000020435091 171200894 /nfs/dbraw/zinc/20/08/94/171200894.db2.gz LQPBHJKCKYQRHH-UHFFFAOYSA-N 0 0 266.699 4.072 10 0 CIAERN OCc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000020435403 171201300 /nfs/dbraw/zinc/20/13/00/171201300.db2.gz FTWJWTSONOAMKE-UHFFFAOYSA-N 0 0 287.117 4.417 10 0 CIAERN Cc1cc([C@H](C)Nc2ccc(F)cc2F)c(C)o1 ZINC000020438309 171203279 /nfs/dbraw/zinc/20/32/79/171203279.db2.gz HILWPOMFSPGMEO-VIFPVBQESA-N 0 0 251.276 4.348 10 0 CIAERN C[C@H](Nc1cccc(Cl)c1F)c1ccc(O)cc1 ZINC000020472383 171215304 /nfs/dbraw/zinc/21/53/04/171215304.db2.gz VNPSFDGZUSDKAN-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN C[C@H](Nc1c(F)cccc1F)c1ccc(F)c(F)c1 ZINC000020476155 171220254 /nfs/dbraw/zinc/22/02/54/171220254.db2.gz YZCAOAAQYZBEFX-QMMMGPOBSA-N 0 0 269.241 4.416 10 0 CIAERN CCc1ccc(CNc2c(F)cccc2F)s1 ZINC000020476371 171220748 /nfs/dbraw/zinc/22/07/48/171220748.db2.gz WDGKIKOLCNYXFG-UHFFFAOYSA-N 0 0 253.317 4.201 10 0 CIAERN C[C@@H]1C[C@H](Oc2ccc(N)cc2F)CC(C)(C)C1 ZINC000020506899 171229012 /nfs/dbraw/zinc/22/90/12/171229012.db2.gz DEAHUVQLUQPYCF-PWSUYJOCSA-N 0 0 251.345 4.002 10 0 CIAERN CSCCCNc1cc(Cl)cc(Cl)c1 ZINC000020545760 171243712 /nfs/dbraw/zinc/24/37/12/171243712.db2.gz BWXVPXXQHIBWAE-UHFFFAOYSA-N 0 0 250.194 4.158 10 0 CIAERN Cc1nc(-c2ccc(N[C@@H](C)C3CC3)cc2)cs1 ZINC000020548439 171245444 /nfs/dbraw/zinc/24/54/44/171245444.db2.gz NKVPMRIBKJBYCD-JTQLQIEISA-N 0 0 258.390 4.329 10 0 CIAERN C[C@H](NCC(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000020553388 171248845 /nfs/dbraw/zinc/24/88/45/171248845.db2.gz AVTNMTANRMSKDE-NSHDSACASA-N 0 0 291.316 4.471 10 0 CIAERN CC(C)C[C@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000020559211 171250990 /nfs/dbraw/zinc/25/09/90/171250990.db2.gz LUERPPLXESDOKO-JTQLQIEISA-N 0 0 261.287 4.432 10 0 CIAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1F ZINC000020559042 171251218 /nfs/dbraw/zinc/25/12/18/171251218.db2.gz HBZDZJIRWRKEGR-SECBINFHSA-N 0 0 295.260 4.320 10 0 CIAERN CCC(CC)CNc1cc(Cl)c(OC)cc1OC ZINC000020564423 171253546 /nfs/dbraw/zinc/25/35/46/171253546.db2.gz UDNBXGNNFQJLPE-UHFFFAOYSA-N 0 0 271.788 4.205 10 0 CIAERN FC(F)(F)c1cccc(Cl)c1-n1cc[nH]c1=S ZINC000020581351 171257110 /nfs/dbraw/zinc/25/71/10/171257110.db2.gz KQIQNCLPIOKUMF-UHFFFAOYSA-N 0 0 278.686 4.207 10 0 CIAERN CSc1cccc(Nc2ccc(Cl)cc2N)c1 ZINC000020584669 171258291 /nfs/dbraw/zinc/25/82/91/171258291.db2.gz WZWLJWYWKWZGKY-UHFFFAOYSA-N 0 0 264.781 4.388 10 0 CIAERN Cc1ccc(Nc2ccc(N)cc2F)c(Br)c1 ZINC000020584704 171258352 /nfs/dbraw/zinc/25/83/52/171258352.db2.gz HPWWGQRTASVVTG-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Nc1ccccc1Nc1ccc(Cl)c(Cl)c1 ZINC000020585353 171258461 /nfs/dbraw/zinc/25/84/61/171258461.db2.gz ROQRHLJHNOYKII-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Nc1cc(F)ccc1Nc1ccc(Br)cc1F ZINC000020585220 171258506 /nfs/dbraw/zinc/25/85/06/171258506.db2.gz IGNBUFPOEVPGPG-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Nc1ccc(Nc2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000020585281 171258556 /nfs/dbraw/zinc/25/85/56/171258556.db2.gz PSLCZKKCXFPYGO-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2N)c(C)c1 ZINC000020585478 171258685 /nfs/dbraw/zinc/25/86/85/171258685.db2.gz KIGCAVNRRHRJPE-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Nc1cc(F)ccc1Nc1cccc2c1CCCC2 ZINC000020585025 171258754 /nfs/dbraw/zinc/25/87/54/171258754.db2.gz HMHPYFCXDDHZCX-UHFFFAOYSA-N 0 0 256.324 4.030 10 0 CIAERN Nc1ccc(Nc2cccc(Cl)c2Cl)c(F)c1 ZINC000020585774 171258889 /nfs/dbraw/zinc/25/88/89/171258889.db2.gz WTHFFZJCBPGZIU-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1cc(F)ccc1Nc1cccc(Cl)c1Cl ZINC000020585777 171258904 /nfs/dbraw/zinc/25/89/04/171258904.db2.gz YHBNHTWBDYLPAO-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN N[C@H](c1cc2ccccc2o1)c1ccc(F)c(Cl)c1 ZINC000020592726 171262034 /nfs/dbraw/zinc/26/20/34/171262034.db2.gz XOLBVZQZTAUMKI-HNNXBMFYSA-N 0 0 275.710 4.273 10 0 CIAERN Cc1cc(CNc2ccc(F)cc2Cl)cc(C)c1O ZINC000020594693 171263818 /nfs/dbraw/zinc/26/38/18/171263818.db2.gz MRTWPXKQHOYPGW-UHFFFAOYSA-N 0 0 279.742 4.414 10 0 CIAERN Nc1ccc2c(c1)CCN2Cc1c(Cl)cccc1Cl ZINC000020595612 171264249 /nfs/dbraw/zinc/26/42/49/171264249.db2.gz JFSRWXXYKJEVJA-UHFFFAOYSA-N 0 0 293.197 4.138 10 0 CIAERN Cc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1 ZINC000020997418 171284350 /nfs/dbraw/zinc/28/43/50/171284350.db2.gz QUEPWPHPKCLUAQ-INIZCTEOSA-N 0 0 294.354 4.008 10 0 CIAERN Cc1ccc(Oc2cccc(NC(=O)C3CC3)c2)cc1C ZINC000021003070 171284678 /nfs/dbraw/zinc/28/46/78/171284678.db2.gz MIMYFCKAMLBXPF-UHFFFAOYSA-N 0 0 281.355 4.444 10 0 CIAERN Brc1ccccc1NCC1CCCCC1 ZINC000021010994 171287310 /nfs/dbraw/zinc/28/73/10/171287310.db2.gz UTEULBPXRFIQEX-UHFFFAOYSA-N 0 0 268.198 4.441 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1ccc(OC(F)F)cc1 ZINC000021011873 171287491 /nfs/dbraw/zinc/28/74/91/171287491.db2.gz PBBILEZTBDQJDX-ZWNOBZJWSA-N 0 0 255.308 4.279 10 0 CIAERN CC(C)Cc1nc2sc3c(c2c(Cl)n1)CCC3 ZINC000021012958 171288367 /nfs/dbraw/zinc/28/83/67/171288367.db2.gz PIEHGCRJRFGVPT-UHFFFAOYSA-N 0 0 266.797 4.032 10 0 CIAERN CCC(CC)CNc1cc(OC)c(Cl)cc1OC ZINC000021013716 171288945 /nfs/dbraw/zinc/28/89/45/171288945.db2.gz PVRVJSODXWWWOL-UHFFFAOYSA-N 0 0 271.788 4.205 10 0 CIAERN Cc1ccc(CNc2ccc(F)c(F)c2F)c(C)c1 ZINC000021019820 171290155 /nfs/dbraw/zinc/29/01/55/171290155.db2.gz PEXYWOIXXPSANI-UHFFFAOYSA-N 0 0 265.278 4.333 10 0 CIAERN Cc1cc(NCCc2ccccc2)ccc1Br ZINC000021019945 171290571 /nfs/dbraw/zinc/29/05/71/171290571.db2.gz YPAQPOUQKPUHBO-UHFFFAOYSA-N 0 0 290.204 4.412 10 0 CIAERN c1ccc(CCCNc2ccc3c(c2)CCC3)cc1 ZINC000021036241 171292366 /nfs/dbraw/zinc/29/23/66/171292366.db2.gz RFTVZMVZLQIION-UHFFFAOYSA-N 0 0 251.373 4.220 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1ccccc1Br ZINC000021042690 171293815 /nfs/dbraw/zinc/29/38/15/171293815.db2.gz SKNZWLPILUCFJV-UWVGGRQHSA-N 0 0 256.187 4.296 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1cccc(N)c1 ZINC000021047719 171294615 /nfs/dbraw/zinc/29/46/15/171294615.db2.gz IQMBYPSBFZHWFK-XYPHTWIQSA-N 0 0 261.409 4.246 10 0 CIAERN Cc1ccc(N)c(OCc2ccc(C(C)(C)C)cc2)c1 ZINC000021048855 171294876 /nfs/dbraw/zinc/29/48/76/171294876.db2.gz MQXUEZAFGZJCAQ-UHFFFAOYSA-N 0 0 269.388 4.454 10 0 CIAERN COc1ccc(CSc2ccc(C)c(C)c2)cc1N ZINC000021499821 171304333 /nfs/dbraw/zinc/30/43/33/171304333.db2.gz LCWZYHWTQVNHJK-UHFFFAOYSA-N 0 0 273.401 4.187 10 0 CIAERN NC(=S)c1ccc(Nc2cc(Cl)ccc2Cl)cc1 ZINC000021499907 171304522 /nfs/dbraw/zinc/30/45/22/171304522.db2.gz SYFCSDKGHXDNEY-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN CCCCc1ccc([C@H](C)NCC(F)(F)F)cc1 ZINC000021500640 171305061 /nfs/dbraw/zinc/30/50/61/171305061.db2.gz KYRFDJZTASJTQS-NSHDSACASA-N 0 0 259.315 4.242 10 0 CIAERN COc1ccccc1CNc1cccc2c1CCCC2 ZINC000021501558 171305485 /nfs/dbraw/zinc/30/54/85/171305485.db2.gz VSCBIHHCHJVCQE-UHFFFAOYSA-N 0 0 267.372 4.186 10 0 CIAERN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(F)c1 ZINC000021502729 171306259 /nfs/dbraw/zinc/30/62/59/171306259.db2.gz ZGVMHZFATQEZFU-VIFPVBQESA-N 0 0 295.260 4.320 10 0 CIAERN Nc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000021503881 171306898 /nfs/dbraw/zinc/30/68/98/171306898.db2.gz AWKKSEBQZKROOT-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1cccc(Br)c1 ZINC000021509157 171309077 /nfs/dbraw/zinc/30/90/77/171309077.db2.gz VCJWSAGQSWIUSN-ZWNOBZJWSA-N 0 0 268.198 4.440 10 0 CIAERN COc1ccc(Cl)cc1NC[C@@H]1CC=CCC1 ZINC000021513785 171311221 /nfs/dbraw/zinc/31/12/21/171311221.db2.gz YONLNFUWCHCOCC-LLVKDONJSA-N 0 0 251.757 4.117 10 0 CIAERN COc1ccc(CNc2ccc(Cl)cc2C)cc1 ZINC000021517036 171313330 /nfs/dbraw/zinc/31/33/30/171313330.db2.gz JHUQWGAKPKVRHE-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN CCC[C@H](C)Nc1ccc(Br)c(C)c1 ZINC000021517457 171313742 /nfs/dbraw/zinc/31/37/42/171313742.db2.gz UMRCZIZHIPMJHZ-JTQLQIEISA-N 0 0 256.187 4.358 10 0 CIAERN CC(C)C[C@@H](C)Nc1ccccc1OC(F)(F)F ZINC000021518334 171314398 /nfs/dbraw/zinc/31/43/98/171314398.db2.gz VCQKLPUBGHCVIV-SNVBAGLBSA-N 0 0 261.287 4.432 10 0 CIAERN COc1cc(OC)c(N[C@H]2CCC[C@@H](C)C2)cc1Cl ZINC000021790241 171323991 /nfs/dbraw/zinc/32/39/91/171323991.db2.gz FGSSMLDXVQUOFA-MNOVXSKESA-N 0 0 283.799 4.348 10 0 CIAERN CC(=O)c1cc(F)ccc1Sc1ccc(C)cc1 ZINC000021806271 171327331 /nfs/dbraw/zinc/32/73/31/171327331.db2.gz HZOJQQDEVPWPCG-UHFFFAOYSA-N 0 0 260.333 4.488 10 0 CIAERN COc1cc(N[C@H]2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000021812029 171329761 /nfs/dbraw/zinc/32/97/61/171329761.db2.gz QSGFPYUORLKHBW-JQWIXIFHSA-N 0 0 283.799 4.348 10 0 CIAERN CCC[C@@H](Nc1ccc(OC)nc1)c1ccccc1 ZINC000021813485 171330978 /nfs/dbraw/zinc/33/09/78/171330978.db2.gz ALGHZNFWWTXWEF-OAHLLOKOSA-N 0 0 256.349 4.044 10 0 CIAERN CC(C)C[C@H](C)Nc1ccc(Br)cc1F ZINC000021813459 171331024 /nfs/dbraw/zinc/33/10/24/171331024.db2.gz TVUZZIFWFOTMAN-VIFPVBQESA-N 0 0 274.177 4.435 10 0 CIAERN Cc1ccc(OC[C@H](N)c2cc3ccccc3o2)cc1C ZINC000021816391 171332446 /nfs/dbraw/zinc/33/24/46/171332446.db2.gz VHUZHDHKIMWDNK-INIZCTEOSA-N 0 0 281.355 4.128 10 0 CIAERN CCN(c1ccccc1)c1cccc(Cl)c1C=O ZINC000021816956 171332974 /nfs/dbraw/zinc/33/29/74/171332974.db2.gz JWQFBIUBXFFGRK-UHFFFAOYSA-N 0 0 259.736 4.311 10 0 CIAERN COc1cccc(Sc2ccc(C(F)(F)F)cc2N)c1 ZINC000021817507 171333150 /nfs/dbraw/zinc/33/31/50/171333150.db2.gz QEIUFWILTDVCKP-UHFFFAOYSA-N 0 0 299.317 4.447 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000021817721 171333339 /nfs/dbraw/zinc/33/33/39/171333339.db2.gz NRCCLSQCEHWCOV-RQJHMYQMSA-N 0 0 279.252 4.373 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000021817726 171333450 /nfs/dbraw/zinc/33/34/50/171333450.db2.gz NRCCLSQCEHWCOV-NKWVEPMBSA-N 0 0 279.252 4.373 10 0 CIAERN CCOc1ccc(N[C@H](C)CC(C)C)cc1OCC ZINC000021818773 171333569 /nfs/dbraw/zinc/33/35/69/171333569.db2.gz RKCICBJGPWYODM-CYBMUJFWSA-N 0 0 265.397 4.331 10 0 CIAERN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Cl)cc2)cc1 ZINC000021819037 171333707 /nfs/dbraw/zinc/33/37/07/171333707.db2.gz YXRBHGMIPYOJJF-LBPRGKRZSA-N 0 0 288.778 4.088 10 0 CIAERN CC(=O)c1ccc(-c2ccccc2OC(F)(F)F)cc1 ZINC000021950473 171339404 /nfs/dbraw/zinc/33/94/04/171339404.db2.gz JLEMBRLEHLDYMS-UHFFFAOYSA-N 0 0 280.245 4.455 10 0 CIAERN Cc1cc(N)ccc1-c1cccc(C(F)(F)F)c1 ZINC000021951004 171339781 /nfs/dbraw/zinc/33/97/81/171339781.db2.gz WPIKQVSZLBNUOT-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN CC(=O)c1cccc(-c2ccccc2OC(F)(F)F)c1 ZINC000021951012 171339855 /nfs/dbraw/zinc/33/98/55/171339855.db2.gz XEFAZSQLWXPYPI-UHFFFAOYSA-N 0 0 280.245 4.455 10 0 CIAERN FC(F)(Oc1ccccc1)c1nc2ccccc2s1 ZINC000021981631 171344199 /nfs/dbraw/zinc/34/41/99/171344199.db2.gz LGCIPHNSAGRIQS-UHFFFAOYSA-N 0 0 277.295 4.425 10 0 CIAERN Cc1cc2[nH]c([C@@H](C)O)cc2c(OCc2ccccc2)c1 ZINC000021994882 171347192 /nfs/dbraw/zinc/34/71/92/171347192.db2.gz BBZSPQJBXXQTIL-CYBMUJFWSA-N 0 0 281.355 4.109 10 0 CIAERN O=C(CCC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000021995460 171347430 /nfs/dbraw/zinc/34/74/30/171347430.db2.gz FWRNEXGOKTWJTF-UHFFFAOYSA-N 0 0 272.731 4.186 10 0 CIAERN Fc1ccc(-c2nc[nH]c2-c2ccc(F)cc2)cc1 ZINC000022000910 171348272 /nfs/dbraw/zinc/34/82/72/171348272.db2.gz MIZORTJPUUOUSA-UHFFFAOYSA-N 0 0 256.255 4.022 10 0 CIAERN CCc1cccc2cc([C@@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000022053733 171351242 /nfs/dbraw/zinc/35/12/42/171351242.db2.gz AOVBZKJVAYVKSL-AWEZNQCLSA-N 0 0 287.359 4.287 10 0 in-vitro CIAERN FC1(F)Oc2ccc(NCc3cccc(Cl)c3)cc2O1 ZINC000022150147 171358322 /nfs/dbraw/zinc/35/83/22/171358322.db2.gz GGQPTOLRLPZYAH-UHFFFAOYSA-N 0 0 297.688 4.274 10 0 CIAERN Cc1ccc(-c2ccnc(Nc3ccccc3)n2)s1 ZINC000026656447 171495162 /nfs/dbraw/zinc/49/51/62/171495162.db2.gz ABSYLFCOANSXSX-UHFFFAOYSA-N 0 0 267.357 4.257 10 0 CIAERN CCn1c2ccccc2c2c1-c1ccc(O)cc1CC2 ZINC000027301380 171511997 /nfs/dbraw/zinc/51/19/97/171511997.db2.gz HJBZOYPXUVHMOQ-UHFFFAOYSA-N 0 0 263.340 4.132 10 0 CIAERN O=C(c1ccccc1)C1CCN(Sc2ccccc2)CC1 ZINC000027739077 171530817 /nfs/dbraw/zinc/53/08/17/171530817.db2.gz XCSHDHHVLDDDFR-UHFFFAOYSA-N 0 0 297.423 4.289 10 0 CIAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000027834536 171533126 /nfs/dbraw/zinc/53/31/26/171533126.db2.gz LSFFPDQIRZDJGH-QWHCGFSZSA-N 0 0 299.336 4.154 10 0 CIAERN COC(=O)C1=C(c2ccc(Cl)cc2)CCCCC1 ZINC000028714398 171571872 /nfs/dbraw/zinc/57/18/72/171571872.db2.gz KLBBBQNCHMPXRI-UHFFFAOYSA-N 0 0 264.752 4.231 10 0 CIAERN Cc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000030823210 171623957 /nfs/dbraw/zinc/62/39/57/171623957.db2.gz DRODAHYPFHPCOG-UHFFFAOYSA-N 0 0 250.301 4.020 10 0 CIAERN COc1cc(C)c(C)c2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC000031350671 171636253 /nfs/dbraw/zinc/63/62/53/171636253.db2.gz HZLLFRKBXPNHCV-HNNXBMFYSA-N 0 0 282.339 4.019 10 0 CIAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2Cc1ccccc1C ZINC000032530614 171732288 /nfs/dbraw/zinc/73/22/88/171732288.db2.gz NHJSIXREXQKIFI-UHFFFAOYSA-N 0 0 291.394 4.283 10 0 CIAERN O=C(/C=C\c1cccc(Cl)c1)Nc1ccc(F)cc1 ZINC000033317219 171782815 /nfs/dbraw/zinc/78/28/15/171782815.db2.gz BHNVOFJUKUWPQY-WTKPLQERSA-N 0 0 275.710 4.131 10 0 CIAERN COC(=O)c1cc(C2CCCCC2)nc2ccccc21 ZINC000033488414 171806519 /nfs/dbraw/zinc/80/65/19/171806519.db2.gz OIWIFCXONZIQDH-UHFFFAOYSA-N 0 0 269.344 4.069 10 0 CIAERN COc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C ZINC000033605667 171814695 /nfs/dbraw/zinc/81/46/95/171814695.db2.gz BKNUXXFUQHTKHP-UHFFFAOYSA-N 0 0 260.377 4.247 10 0 CIAERN CN1c2ccccc2S[C@H]1/C=C/c1ccccc1 ZINC000034090999 171830712 /nfs/dbraw/zinc/83/07/12/171830712.db2.gz NVYGHKKDZBBWMV-PCUGXKRQSA-N 0 0 253.370 4.268 10 0 CIAERN O[C@H](CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000034349029 171837555 /nfs/dbraw/zinc/83/75/55/171837555.db2.gz KQVAPEGCXGCBTH-MRXNPFEDSA-N 0 0 260.764 4.396 10 0 CIAERN O=C1N[C@H](c2ccccc2)c2c(ccc3ccccc32)O1 ZINC000034563794 171844214 /nfs/dbraw/zinc/84/42/14/171844214.db2.gz NUAMXCNOSNVFHG-QGZVFWFLSA-N 0 0 275.307 4.031 10 0 CIAERN O=Cc1ccc(SC/C=C/c2ccccc2)cc1 ZINC000034605328 171845687 /nfs/dbraw/zinc/84/56/87/171845687.db2.gz XGXXFDLFIGRZHM-QPJJXVBHSA-N 0 0 254.354 4.305 10 0 CIAERN Cn1c2ccccc2nc1SCCCc1ccccc1 ZINC000034783716 171866690 /nfs/dbraw/zinc/86/66/90/171866690.db2.gz ZKAVTUJALBMXKT-UHFFFAOYSA-N 0 0 282.412 4.298 10 0 CIAERN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C(C)(C)C ZINC000034794782 171867782 /nfs/dbraw/zinc/86/77/82/171867782.db2.gz KAZXXJNPWDJGLZ-UHFFFAOYSA-N 0 0 299.418 4.241 10 0 CIAERN C[C@@H]1C[C@@H]1c1[nH]nc(N)c1-c1ccc(Cl)cc1Cl ZINC000034975874 171910231 /nfs/dbraw/zinc/91/02/31/171910231.db2.gz CCIIGGSOOZOVRR-MUWHJKNJSA-N 0 0 282.174 4.089 10 0 CIAERN C[C@@H](Nc1ccc2n[nH]cc2c1)c1ccccc1Cl ZINC000035019232 171937803 /nfs/dbraw/zinc/93/78/03/171937803.db2.gz RUBXODDUVZKFOO-SNVBAGLBSA-N 0 0 271.751 4.389 10 0 CIAERN CCOc1ccc(CNc2ccc(Cl)cc2F)cc1 ZINC000035039964 171945219 /nfs/dbraw/zinc/94/52/19/171945219.db2.gz ZSYZUHUAWLORJH-UHFFFAOYSA-N 0 0 279.742 4.490 10 0 CIAERN CCCCS[C@H](C)C(=O)c1ccc(F)cc1F ZINC000035046954 171950534 /nfs/dbraw/zinc/95/05/34/171950534.db2.gz VOOYKTLCHAIMGO-SECBINFHSA-N 0 0 258.333 4.069 10 0 CIAERN CC(C)CS[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000035046939 171950535 /nfs/dbraw/zinc/95/05/35/171950535.db2.gz YVLOVXVVACWFCS-JTQLQIEISA-N 0 0 256.798 4.300 10 0 CIAERN CC(=O)c1cc(C)ccc1OCc1cccc(F)c1F ZINC000035053818 171955506 /nfs/dbraw/zinc/95/55/06/171955506.db2.gz SLSXTVVSEAWNHX-UHFFFAOYSA-N 0 0 276.282 4.055 10 0 CIAERN Cc1c(N)cccc1OCc1ccc(Cl)cc1Cl ZINC000035056501 171959390 /nfs/dbraw/zinc/95/93/90/171959390.db2.gz WTZCQVHAHXWCKA-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN Cc1cc(C)cc(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035134630 172001390 /nfs/dbraw/zinc/00/13/90/172001390.db2.gz MCVUPJXNXZEHMW-UHFFFAOYSA-N 0 0 264.328 4.037 10 0 CIAERN COc1ccc(C)cc1CNc1cc(Cl)ccc1OC ZINC000035164929 172026585 /nfs/dbraw/zinc/02/65/85/172026585.db2.gz KKDYQGJFWHAPMO-UHFFFAOYSA-N 0 0 291.778 4.278 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)Sc2ccc(F)cc2)cc1 ZINC000035181504 172035711 /nfs/dbraw/zinc/03/57/11/172035711.db2.gz FQCWFZZONHLYET-LBPRGKRZSA-N 0 0 274.360 4.498 10 0 CIAERN CCc1ccccc1O[C@H](C)C(=O)c1ccc(F)cc1 ZINC000035182454 172036014 /nfs/dbraw/zinc/03/60/14/172036014.db2.gz DVTDDXWQMPFQBV-GFCCVEGCSA-N 0 0 272.319 4.038 10 0 CIAERN CC(C)(C)C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000035182480 172036135 /nfs/dbraw/zinc/03/61/35/172036135.db2.gz AAIIHQDDMUKBJU-UHFFFAOYSA-N 0 0 284.355 4.473 10 0 CIAERN CC[C@H](C)S[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000035182614 172036291 /nfs/dbraw/zinc/03/62/91/172036291.db2.gz SIHFHUSMMSAGPU-QWHCGFSZSA-N 0 0 250.407 4.406 10 0 CIAERN O=C(COc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000035183556 172036771 /nfs/dbraw/zinc/03/67/71/172036771.db2.gz KOGQQLWSSXFMOW-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN CCc1ccc(OCC(=O)c2ccc(Cl)s2)cc1 ZINC000035182923 172036779 /nfs/dbraw/zinc/03/67/79/172036779.db2.gz DHAXZUMDEODELW-UHFFFAOYSA-N 0 0 280.776 4.226 10 0 CIAERN Cc1ccc(O[C@H](C)C(=O)c2cccc(Cl)c2)cc1 ZINC000035183645 172036809 /nfs/dbraw/zinc/03/68/09/172036809.db2.gz LSNCOVHDBMMZLR-GFCCVEGCSA-N 0 0 274.747 4.299 10 0 CIAERN Cc1cccc(OCC(=O)c2c(C)cc(C)cc2C)c1 ZINC000035183691 172036985 /nfs/dbraw/zinc/03/69/85/172036985.db2.gz PQZSUGRSGFHQIB-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN C[C@@H](Oc1ccccc1F)C(=O)c1ccc(Cl)cc1 ZINC000035183534 172037033 /nfs/dbraw/zinc/03/70/33/172037033.db2.gz AVVFKDFIJYIMJD-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN O=C(CSc1ccccc1)c1cc2ccccc2o1 ZINC000035184008 172037317 /nfs/dbraw/zinc/03/73/17/172037317.db2.gz PFCSTJNOEQZSML-UHFFFAOYSA-N 0 0 268.337 4.408 10 0 CIAERN C[C@H](Oc1cccc2ccccc21)C(=O)c1ccccc1 ZINC000035184135 172037632 /nfs/dbraw/zinc/03/76/32/172037632.db2.gz RUOIMTKCXJFIPQ-AWEZNQCLSA-N 0 0 276.335 4.490 10 0 CIAERN COc1ccc(C(C)=O)cc1COc1ccc(C)c(C)c1 ZINC000035185050 172038413 /nfs/dbraw/zinc/03/84/13/172038413.db2.gz DBUIXOUJBZHGMX-UHFFFAOYSA-N 0 0 284.355 4.094 10 0 CIAERN Cc1csc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)n1 ZINC000035184869 172038684 /nfs/dbraw/zinc/03/86/84/172038684.db2.gz DGZXVYSFRITPPN-QMMMGPOBSA-N 0 0 299.367 4.093 10 0 CIAERN CC(C)c1ccc(C(=O)Nc2ccccc2[C@@H](C)O)cc1 ZINC000035199543 172044696 /nfs/dbraw/zinc/04/46/96/172044696.db2.gz YYDPHXSJQHOEEL-CYBMUJFWSA-N 0 0 283.371 4.116 10 0 CIAERN Cc1ccc(C(=O)COc2c(C)ccc(C)c2C)cc1C ZINC000035224898 172069189 /nfs/dbraw/zinc/06/91/89/172069189.db2.gz UCYXICIGRHPWTH-UHFFFAOYSA-N 0 0 282.383 4.490 10 0 CIAERN CC[C@H](C)S[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035229246 172070123 /nfs/dbraw/zinc/07/01/23/172070123.db2.gz IMCIDLJZZHMUNJ-IUCAKERBSA-N 0 0 258.333 4.068 10 0 CIAERN Cc1cc(Nc2cccc3c2CCCC3)ccc1N ZINC000035277950 172097594 /nfs/dbraw/zinc/09/75/94/172097594.db2.gz PETKJQSRIRZKRJ-UHFFFAOYSA-N 0 0 252.361 4.200 10 0 CIAERN Cc1c(N)cccc1Oc1ncc(Cl)cc1Cl ZINC000035283271 172101365 /nfs/dbraw/zinc/10/13/65/172101365.db2.gz SIPNWKBFISGOGO-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Cc1cc(N)ccc1Nc1cc(Cl)ccc1F ZINC000035284502 172102750 /nfs/dbraw/zinc/10/27/50/172102750.db2.gz UHJXMSHCEYRJMA-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1cccc(Cl)c1Nc1cc(Cl)ccc1F ZINC000035284516 172102807 /nfs/dbraw/zinc/10/28/07/172102807.db2.gz VSYKIUCMFDTMHD-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN CC(C)c1cccc(OCc2cc(F)ccc2N)c1 ZINC000035308698 172121384 /nfs/dbraw/zinc/12/13/84/172121384.db2.gz AZNSUAXQBQHGRF-UHFFFAOYSA-N 0 0 259.324 4.110 10 0 CIAERN Cc1nc2cc(Nc3cccc(F)c3)c(N)cc2s1 ZINC000035342627 172134473 /nfs/dbraw/zinc/13/44/73/172134473.db2.gz PAMWSSQXTFSPSQ-UHFFFAOYSA-N 0 0 273.336 4.070 10 0 CIAERN Cc1nc2cc(Nc3ccc(C)cc3)c(N)cc2s1 ZINC000035342657 172135380 /nfs/dbraw/zinc/13/53/80/172135380.db2.gz KLINXIYXMUAMNJ-UHFFFAOYSA-N 0 0 269.373 4.239 10 0 CIAERN Nc1ccc2nc(Oc3ccc(Cl)cc3)ccc2c1 ZINC000035343781 172136004 /nfs/dbraw/zinc/13/60/04/172136004.db2.gz GDZYVJHFDFIFKQ-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Cc1occc1C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000035368471 172159696 /nfs/dbraw/zinc/15/96/96/172159696.db2.gz GDFQJJLXZYPHMX-UHFFFAOYSA-N 0 0 256.345 4.361 10 0 CIAERN Cc1ccc(C(=O)c2ccc(CC(C)C)cc2)s1 ZINC000035368731 172160167 /nfs/dbraw/zinc/16/01/67/172160167.db2.gz GICVIQQJGVMZMM-UHFFFAOYSA-N 0 0 258.386 4.486 10 0 CIAERN Cc1ccc(C(=O)c2ccc(Br)s2)s1 ZINC000035368968 172160755 /nfs/dbraw/zinc/16/07/55/172160755.db2.gz OBOUODIJYMKTEN-UHFFFAOYSA-N 0 0 287.203 4.112 10 0 CIAERN CCc1cccc2c(C(=O)c3ccsc3)c[nH]c21 ZINC000035369161 172160764 /nfs/dbraw/zinc/16/07/64/172160764.db2.gz OEFMATJEQYNPSI-UHFFFAOYSA-N 0 0 255.342 4.023 10 0 CIAERN O=C(c1cccs1)c1cc2c(s1)CCCCC2 ZINC000035368957 172161070 /nfs/dbraw/zinc/16/10/70/172161070.db2.gz ALEUWNCOROZAAP-UHFFFAOYSA-N 0 0 262.399 4.310 10 0 CIAERN Cc1ccc(C(=O)c2c[nH]c3cc(C)ccc32)s1 ZINC000035369724 172161581 /nfs/dbraw/zinc/16/15/81/172161581.db2.gz NJXJFJOOQXXVQE-UHFFFAOYSA-N 0 0 255.342 4.077 10 0 CIAERN CC(=O)c1ccc2ccccc2c1OC1CCCC1 ZINC000035424796 172193085 /nfs/dbraw/zinc/19/30/85/172193085.db2.gz RSQPWXRNXICJBU-UHFFFAOYSA-N 0 0 254.329 4.364 10 0 CIAERN CN[C@@H](c1cc(F)ccc1F)c1c(F)cccc1Cl ZINC000035468834 172218700 /nfs/dbraw/zinc/21/87/00/172218700.db2.gz RSWVTLAEHWQXOZ-AWEZNQCLSA-N 0 0 285.696 4.066 10 0 CIAERN CN[C@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035502039 172236190 /nfs/dbraw/zinc/23/61/90/172236190.db2.gz BVPNMCIDIPBKRX-JTQLQIEISA-N 0 0 276.188 4.265 10 0 CIAERN CCN[C@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035540125 172246578 /nfs/dbraw/zinc/24/65/78/172246578.db2.gz YSONHFRLRXPHRT-OAHLLOKOSA-N 0 0 281.733 4.317 10 0 CIAERN O=C(NCc1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000035552126 172259049 /nfs/dbraw/zinc/25/90/49/172259049.db2.gz GWMYZHUJHAONTB-UHFFFAOYSA-N 0 0 287.362 4.284 10 0 CIAERN O=C(c1ccc(-c2cccs2)cc1)N1CCCCC1 ZINC000035552169 172259117 /nfs/dbraw/zinc/25/91/17/172259117.db2.gz WABHNBDHCHRDEA-UHFFFAOYSA-N 0 0 271.385 4.041 10 0 CIAERN CCN[C@@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035559205 172264011 /nfs/dbraw/zinc/26/40/11/172264011.db2.gz JDNUFWKNZKENJR-JTQLQIEISA-N 0 0 276.188 4.347 10 0 CIAERN C[C@@H](O)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000035626336 172305696 /nfs/dbraw/zinc/30/56/96/172305696.db2.gz DQNXHLNZLAPZQU-CQSZACIVSA-N 0 0 278.351 4.472 10 0 CIAERN OCc1c(OC2CCCCC2)ccc2ccccc21 ZINC000035630938 172313178 /nfs/dbraw/zinc/31/31/78/172313178.db2.gz MXKLXTINFYBOOZ-UHFFFAOYSA-N 0 0 256.345 4.044 10 0 CIAERN CCOc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1 ZINC000035632064 172314290 /nfs/dbraw/zinc/31/42/90/172314290.db2.gz UCPLASGVBDYFRO-LLVKDONJSA-N 0 0 276.307 4.070 10 0 CIAERN C[C@@H](O)c1ccc(Oc2cccc(Cl)c2)c(F)c1 ZINC000035632321 172314906 /nfs/dbraw/zinc/31/49/06/172314906.db2.gz MHWGMDAPAXFVGD-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000035632453 172314914 /nfs/dbraw/zinc/31/49/14/172314914.db2.gz LTYOSEQNTMNYAW-LLVKDONJSA-N 0 0 272.319 4.160 10 0 CIAERN CCc1ccccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035632576 172315231 /nfs/dbraw/zinc/31/52/31/172315231.db2.gz JKDPCRAOLDNEPY-LLVKDONJSA-N 0 0 260.308 4.234 10 0 CIAERN C[C@H](O)c1ccccc1Oc1ccc(Br)cc1 ZINC000035650669 172326497 /nfs/dbraw/zinc/32/64/97/172326497.db2.gz WSWARWLLGRMIOF-JTQLQIEISA-N 0 0 293.160 4.295 10 0 CIAERN CCCOc1ccc(Oc2ccccc2[C@H](C)O)cc1 ZINC000035650734 172326691 /nfs/dbraw/zinc/32/66/91/172326691.db2.gz AILDCALBBNJTME-ZDUSSCGKSA-N 0 0 272.344 4.321 10 0 CIAERN Cc1cc(Oc2ccccc2[C@@H](C)O)ccc1Cl ZINC000035650595 172326857 /nfs/dbraw/zinc/32/68/57/172326857.db2.gz QWHWSGJVSRVXLR-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN Brc1cccc(NC2Cc3ccccc3C2)c1 ZINC000035657915 172332419 /nfs/dbraw/zinc/33/24/19/172332419.db2.gz IEZKOUZGFOWSCZ-UHFFFAOYSA-N 0 0 288.188 4.028 10 0 CIAERN Fc1ccc(NC2Cc3ccccc3C2)c(Cl)c1 ZINC000035658120 172333119 /nfs/dbraw/zinc/33/31/19/172333119.db2.gz SHXHHENDYVPTNH-UHFFFAOYSA-N 0 0 261.727 4.058 10 0 CIAERN COC(=O)CCCOc1cc(C)c(Cl)cc1C(C)C ZINC000035663466 172341701 /nfs/dbraw/zinc/34/17/01/172341701.db2.gz ZQIZLHKLHVQQDQ-UHFFFAOYSA-N 0 0 284.783 4.104 10 0 CIAERN Nc1cc(Cl)ccc1Sc1cc(F)ccc1F ZINC000035676196 172346680 /nfs/dbraw/zinc/34/66/80/172346680.db2.gz URTVPMZVYDHPKE-UHFFFAOYSA-N 0 0 271.719 4.352 10 0 CIAERN Cc1c(N)cccc1CSc1cc(F)ccc1F ZINC000035676200 172346788 /nfs/dbraw/zinc/34/67/88/172346788.db2.gz WAOKVOZEJWNZCE-UHFFFAOYSA-N 0 0 265.328 4.148 10 0 CIAERN C[C@H](Nc1ccc(N)c(C(F)(F)F)c1)c1ccco1 ZINC000035739227 172393252 /nfs/dbraw/zinc/39/32/52/172393252.db2.gz TYOHFQDVBAIBQK-QMMMGPOBSA-N 0 0 270.254 4.054 10 0 CIAERN COC(=O)C[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000035747899 172396116 /nfs/dbraw/zinc/39/61/16/172396116.db2.gz UCCHUIUJDUWSON-LURJTMIESA-N 0 0 296.581 4.010 10 0 CIAERN O[C@H](c1ccc(Br)s1)C1CCCCC1 ZINC000036175304 172495832 /nfs/dbraw/zinc/49/58/32/172495832.db2.gz ONVFOKZPCWHHPE-NSHDSACASA-N 0 0 275.211 4.124 10 0 CIAERN COc1ccc([C@@H](O)C2CCCCC2)cc1Br ZINC000036178632 172497209 /nfs/dbraw/zinc/49/72/09/172497209.db2.gz IKWNVKYOMQTWGW-AWEZNQCLSA-N 0 0 299.208 4.071 10 0 CIAERN CCSCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000036192525 172503505 /nfs/dbraw/zinc/50/35/05/172503505.db2.gz NHZSBNYLXVSRBJ-UHFFFAOYSA-N 0 0 256.370 4.289 10 0 CIAERN Cc1cc(Oc2ncc(N)cc2C)cc(C)c1Cl ZINC000036243222 172539995 /nfs/dbraw/zinc/53/99/95/172539995.db2.gz FYECSLJCOOTIRO-UHFFFAOYSA-N 0 0 262.740 4.035 10 0 CIAERN CCc1cc2c(nc(Cl)nc2NCc2ccco2)s1 ZINC000036277758 172568908 /nfs/dbraw/zinc/56/89/08/172568908.db2.gz LHYAKGRIAAPOTR-UHFFFAOYSA-N 0 0 293.779 4.112 10 0 CIAERN Nc1cc(Cl)ccc1Oc1nc2ccccc2s1 ZINC000036667333 172647087 /nfs/dbraw/zinc/64/70/87/172647087.db2.gz FGXLZYRHXZWLCY-UHFFFAOYSA-N 0 0 276.748 4.324 10 0 CIAERN CC(C)(C)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000036683720 172653825 /nfs/dbraw/zinc/65/38/25/172653825.db2.gz SPOLDYQGNXMSAA-UHFFFAOYSA-N 0 0 274.282 4.133 10 0 CIAERN Nc1ccccc1CSc1ccc2c(c1)CCC2 ZINC000036926407 172809384 /nfs/dbraw/zinc/80/93/84/172809384.db2.gz XLPWWGPJQYFEND-UHFFFAOYSA-N 0 0 255.386 4.050 10 0 CIAERN Cc1ccsc1-c1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000036935391 172815227 /nfs/dbraw/zinc/81/52/27/172815227.db2.gz NEUPMBFQZQZYEA-UHFFFAOYSA-N 0 0 289.791 4.349 10 0 CIAERN CC(C)Cc1[nH]nc(N)c1-c1c(Cl)cccc1Cl ZINC000036935221 172815413 /nfs/dbraw/zinc/81/54/13/172815413.db2.gz SVQQAVLPZOSTJU-UHFFFAOYSA-N 0 0 284.190 4.164 10 0 CIAERN CC[C@@H](C(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000036940232 172817615 /nfs/dbraw/zinc/81/76/15/172817615.db2.gz GALQGMGGFYULCZ-CYBMUJFWSA-N 0 0 260.283 4.341 10 0 CIAERN Cc1ccc(CC(=O)c2ccc(Br)cc2)cc1 ZINC000036941725 172818445 /nfs/dbraw/zinc/81/84/45/172818445.db2.gz KUFSHIHMAHIGFS-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN CCc1ccccc1OCc1ccc(Cl)c(N)c1 ZINC000036985065 172850706 /nfs/dbraw/zinc/85/07/06/172850706.db2.gz OBZJKNQWBMJNNC-UHFFFAOYSA-N 0 0 261.752 4.064 10 0 CIAERN Cn1ncc2c1CCC[C@H]2Nc1ccc(Cl)cc1Cl ZINC000037051511 172918804 /nfs/dbraw/zinc/91/88/04/172918804.db2.gz YGSGZJNTVLSUQX-GFCCVEGCSA-N 0 0 296.201 4.216 10 0 CIAERN COc1ccccc1NCc1cc(C)c(C)cc1C ZINC000037189222 173018734 /nfs/dbraw/zinc/01/87/34/173018734.db2.gz VQIPQKTYWDVQEB-UHFFFAOYSA-N 0 0 255.361 4.233 10 0 CIAERN Nc1ccc(SCc2cccc3ccccc32)cn1 ZINC000037192655 173022090 /nfs/dbraw/zinc/02/20/90/173022090.db2.gz CUZUIIDZCSWECE-UHFFFAOYSA-N 0 0 266.369 4.109 10 0 CIAERN Cc1cc(N)ccc1SCCOc1ccc(Cl)cc1 ZINC000037193729 173023284 /nfs/dbraw/zinc/02/32/84/173023284.db2.gz RCXQHIGQNKENCI-UHFFFAOYSA-N 0 0 293.819 4.402 10 0 CIAERN Cc1ccc(CNc2ccc(F)c(F)c2F)cc1C ZINC000037198275 173024796 /nfs/dbraw/zinc/02/47/96/173024796.db2.gz OXRKOPGBNVONRM-UHFFFAOYSA-N 0 0 265.278 4.333 10 0 CIAERN CO[C@@H]1CCCC[C@@H]1Nc1ccccc1SC(F)F ZINC000037197824 173024864 /nfs/dbraw/zinc/02/48/64/173024864.db2.gz RYIIFIXLLGQYCL-CMPLNLGQSA-N 0 0 287.375 4.371 10 0 CIAERN CO[C@H]1CCCC[C@@H]1Nc1ccccc1SC(F)F ZINC000037197825 173024909 /nfs/dbraw/zinc/02/49/09/173024909.db2.gz RYIIFIXLLGQYCL-JQWIXIFHSA-N 0 0 287.375 4.371 10 0 CIAERN CNc1ccccc1-c1nc2cc(F)ccc2s1 ZINC000037205138 173027670 /nfs/dbraw/zinc/02/76/70/173027670.db2.gz SPYLHXZIUARWHD-UHFFFAOYSA-N 0 0 258.321 4.144 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000037251476 173063870 /nfs/dbraw/zinc/06/38/70/173063870.db2.gz FTARLMJZRQOLEN-RNFRBKRXSA-N 0 0 279.252 4.373 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254855 173066244 /nfs/dbraw/zinc/06/62/44/173066244.db2.gz IOARMVVOVAVCNJ-NXEZZACHSA-N 0 0 272.314 4.278 10 0 CIAERN Cc1n[nH]c(C)c1N[C@H]1CCSc2ccc(Cl)cc21 ZINC000037261690 173071672 /nfs/dbraw/zinc/07/16/72/173071672.db2.gz KKJGYFFQVDZTJE-LBPRGKRZSA-N 0 0 293.823 4.329 10 0 CIAERN C[C@@H](Nc1cc2c(cc1Cl)OCO2)C1CCCCC1 ZINC000037281505 173089834 /nfs/dbraw/zinc/08/98/34/173089834.db2.gz HEKIAUHMWJJQBD-SNVBAGLBSA-N 0 0 281.783 4.449 10 0 CIAERN COc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1F ZINC000037290284 173095724 /nfs/dbraw/zinc/09/57/24/173095724.db2.gz ZGFRBEOVJKDJEZ-YPMHNXCESA-N 0 0 265.372 4.461 10 0 CIAERN Clc1ccc(NCc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000037302435 173107887 /nfs/dbraw/zinc/10/78/87/173107887.db2.gz RXXRPTSSMYPDMD-UHFFFAOYSA-N 0 0 296.153 4.334 10 0 CIAERN C[C@@H](CC(=O)Nc1ccc(N)cc1Cl)CC(C)(C)C ZINC000037306842 173110653 /nfs/dbraw/zinc/11/06/53/173110653.db2.gz GGJIDJVSWXPVOG-JTQLQIEISA-N 0 0 282.815 4.323 10 0 CIAERN CCOC(=O)c1ccccc1N[C@@H](C)CCC(C)C ZINC000037308398 173110981 /nfs/dbraw/zinc/11/09/81/173110981.db2.gz QPMXOJAALMCGGF-ZDUSSCGKSA-N 0 0 263.381 4.100 10 0 CIAERN CCOC(=O)c1ccc(N[C@@H](C)CCC(C)C)cc1 ZINC000037307744 173111268 /nfs/dbraw/zinc/11/12/68/173111268.db2.gz YHKCAZHLRIQVLT-ZDUSSCGKSA-N 0 0 263.381 4.100 10 0 CIAERN CC(C)[C@@H](Nc1ccc2c(c1)CCO2)c1cccs1 ZINC000037313404 173115940 /nfs/dbraw/zinc/11/59/40/173115940.db2.gz HHWVNUKGZKTQMI-MRXNPFEDSA-N 0 0 273.401 4.492 10 0 CIAERN Cc1ncsc1[C@@H](C)Nc1cccc(Cl)c1N(C)C ZINC000037315935 173117237 /nfs/dbraw/zinc/11/72/37/173117237.db2.gz ABSIIHDZICHSST-SNVBAGLBSA-N 0 0 295.839 4.344 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)c1ccccc1C ZINC000037342277 173142387 /nfs/dbraw/zinc/14/23/87/173142387.db2.gz OVFPDIUFYUDRBY-PBHICJAKSA-N 0 0 260.377 4.163 10 0 CIAERN CCCCc1[nH]nc(N)c1-c1ccc(C(C)C)cc1 ZINC000037349612 173144649 /nfs/dbraw/zinc/14/46/49/173144649.db2.gz URCWRUKXEJXFCH-UHFFFAOYSA-N 0 0 257.381 4.125 10 0 CIAERN Cc1cc(C)c(C)c(C(=O)c2cccc(F)c2)c1C ZINC000037353727 173146879 /nfs/dbraw/zinc/14/68/79/173146879.db2.gz DCCLPNYMRDFKKH-UHFFFAOYSA-N 0 0 256.320 4.290 10 0 CIAERN Cc1cc(C)c(C(=O)c2ccc(F)c(F)c2)c(C)c1 ZINC000037354260 173147115 /nfs/dbraw/zinc/14/71/15/173147115.db2.gz YUYVXHDYOXXFBE-UHFFFAOYSA-N 0 0 260.283 4.121 10 0 CIAERN CC[C@@H](C(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000037354607 173147139 /nfs/dbraw/zinc/14/71/39/173147139.db2.gz HZRGJRGSCUNCJX-CYBMUJFWSA-N 0 0 260.283 4.341 10 0 CIAERN O=C(Cc1c(F)cccc1Cl)c1ccc(F)c(F)c1 ZINC000037357701 173147661 /nfs/dbraw/zinc/14/76/61/173147661.db2.gz AUNXCQFKOZJUJB-UHFFFAOYSA-N 0 0 284.664 4.183 10 0 CIAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)CCC2 ZINC000037360290 173150008 /nfs/dbraw/zinc/15/00/08/173150008.db2.gz OVNIUKRHNSTGQH-XGWLTEMNSA-N 0 0 254.373 4.184 10 0 CIAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)CCC2 ZINC000037360287 173150324 /nfs/dbraw/zinc/15/03/24/173150324.db2.gz OVNIUKRHNSTGQH-MJEQTWJJSA-N 0 0 254.373 4.184 10 0 CIAERN Nc1ccc(-c2nc(C3CCCCC3)cs2)cc1 ZINC000037367562 173157004 /nfs/dbraw/zinc/15/70/04/173157004.db2.gz GHUMMWKQPNLDNN-UHFFFAOYSA-N 0 0 258.390 4.440 10 0 CIAERN O[C@]1(c2ccccc2)CCCC[C@@H]1c1ccccc1 ZINC000037376027 173165514 /nfs/dbraw/zinc/16/55/14/173165514.db2.gz SAMXWYOMFYONOY-MSOLQXFVSA-N 0 0 252.357 4.232 10 0 CIAERN Cc1ccc(Nc2ccc(OC(C)C)cc2)c(N)c1 ZINC000037401458 173178521 /nfs/dbraw/zinc/17/85/21/173178521.db2.gz AGEADBZGMMYRLN-UHFFFAOYSA-N 0 0 256.349 4.108 10 0 CIAERN CC[C@@H]1CCCC[C@H]1OCc1cc(N)ccc1Cl ZINC000037403381 173179777 /nfs/dbraw/zinc/17/97/77/173179777.db2.gz KPYPTTLOHKIQOE-IAQYHMDHSA-N 0 0 267.800 4.408 10 0 CIAERN Nc1c(F)cccc1Nc1cc(Cl)ccc1Cl ZINC000037419314 173196828 /nfs/dbraw/zinc/19/68/28/173196828.db2.gz ZIFMCTSGXBWICK-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN CCCn1c2ccc(C)cc2nc1-c1ccc(C)c(N)c1 ZINC000037438385 173208464 /nfs/dbraw/zinc/20/84/64/173208464.db2.gz ULAMVXBBBIZMOL-UHFFFAOYSA-N 0 0 279.387 4.312 10 0 CIAERN CCCn1c2ccc(Cl)cc2nc1-c1cccc(N)c1 ZINC000037440489 173210136 /nfs/dbraw/zinc/21/01/36/173210136.db2.gz LHONGKJAYLMPON-UHFFFAOYSA-N 0 0 285.778 4.349 10 0 CIAERN CCCn1c(-c2sccc2N)nc2cccc(Cl)c21 ZINC000037444049 173212253 /nfs/dbraw/zinc/21/22/53/173212253.db2.gz FCUCGIVZAFCEDL-UHFFFAOYSA-N 0 0 291.807 4.410 10 0 CIAERN Cn1c(-c2ccc(Cl)cc2O)nc2cccc(Cl)c21 ZINC000037444494 173212320 /nfs/dbraw/zinc/21/23/20/173212320.db2.gz KABJGZUBBUDZAR-UHFFFAOYSA-N 0 0 293.153 4.253 10 0 CIAERN CCOc1ccc(NCCC(C)(C)C)cc1OCC ZINC000037488576 173230868 /nfs/dbraw/zinc/23/08/68/173230868.db2.gz HHHUINZRBBDZRJ-UHFFFAOYSA-N 0 0 265.397 4.332 10 0 CIAERN Cc1cc(Cl)nc(-c2ccc(Cl)cc2Cl)n1 ZINC000037504421 173239854 /nfs/dbraw/zinc/23/98/54/173239854.db2.gz BVKATTCLXIDFQC-UHFFFAOYSA-N 0 0 273.550 4.412 10 0 CIAERN CCCN[C@@H](c1ccc(C(C)C)cc1)C(F)(F)F ZINC000037506493 173241595 /nfs/dbraw/zinc/24/15/95/173241595.db2.gz FRZCGUMJSXUCAC-ZDUSSCGKSA-N 0 0 259.315 4.413 10 0 CIAERN Cc1nn(C)c(Cl)c1CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000037515475 173246705 /nfs/dbraw/zinc/24/67/05/173246705.db2.gz QTRZSWXRADBABP-ZYHUDNBSSA-N 0 0 284.831 4.113 10 0 CIAERN O=Cc1c(Cl)cccc1OCc1cccc(F)c1F ZINC000037519354 173249887 /nfs/dbraw/zinc/24/98/87/173249887.db2.gz SKZBPNKMRCUCQQ-UHFFFAOYSA-N 0 0 282.673 4.010 10 0 CIAERN CCOc1cccc(C(=O)Cc2ccc(Cl)cc2)c1 ZINC000037531825 173253513 /nfs/dbraw/zinc/25/35/13/173253513.db2.gz TXRHZHISSHCOCA-UHFFFAOYSA-N 0 0 274.747 4.164 10 0 CIAERN CC[C@@](O)(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000037531358 173253560 /nfs/dbraw/zinc/25/35/60/173253560.db2.gz YOFUNRDLCZXMJU-MRXNPFEDSA-N 0 0 260.764 4.180 10 0 CIAERN Cc1ccc(C[C@@H](O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000037532785 173253757 /nfs/dbraw/zinc/25/37/57/173253757.db2.gz YRESFFBCWWTIFT-OAHLLOKOSA-N 0 0 295.209 4.448 10 0 CIAERN CC(C)c1ccc([C@@H](O)Cc2ccccc2F)cc1 ZINC000037532411 173253768 /nfs/dbraw/zinc/25/37/68/173253768.db2.gz IWKQIDKECIJJEL-KRWDZBQOSA-N 0 0 258.336 4.225 10 0 CIAERN CCc1ccc([C@@H](O)Cc2ccc(Cl)cc2)cc1 ZINC000037532609 173253957 /nfs/dbraw/zinc/25/39/57/173253957.db2.gz CXGNHQPTZHPXCI-INIZCTEOSA-N 0 0 260.764 4.179 10 0 CIAERN Nc1ccc(NCC2CCCCC2)c(C(F)(F)F)c1 ZINC000037754543 173677969 /nfs/dbraw/zinc/67/79/69/173677969.db2.gz ICXCFQIOBOHKSG-UHFFFAOYSA-N 0 0 272.314 4.280 10 0 CIAERN CCOc1ccc(N[C@H]2CCCC[C@H]2OC)cc1Cl ZINC000037773410 173705497 /nfs/dbraw/zinc/70/54/97/173705497.db2.gz ZSJSKJKAFHXJLU-DZGCQCFKSA-N 0 0 283.799 4.108 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2cccc(N3CCCC3)c2)C1 ZINC000037775073 173707365 /nfs/dbraw/zinc/70/73/65/173707365.db2.gz JPACVRZJPCKUNX-CABCVRRESA-N 0 0 258.409 4.277 10 0 CIAERN CCOc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1OC ZINC000037780937 173711115 /nfs/dbraw/zinc/71/11/15/173711115.db2.gz NVMWSBQQDPULQK-GXTWGEPZSA-N 0 0 283.799 4.108 10 0 CIAERN O[C@@H](CNc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000037877586 173819587 /nfs/dbraw/zinc/81/95/87/173819587.db2.gz QPWLBVRCFZWIOF-NSHDSACASA-N 0 0 288.199 4.200 10 0 CIAERN Nc1ccc(Cl)c(COc2ccc(F)cc2Cl)c1 ZINC000037902121 173833458 /nfs/dbraw/zinc/83/34/58/173833458.db2.gz BFKYVABLKSTGDO-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN CCCC(CCC)(Nc1ccccc1)C(=O)OCC ZINC000037954239 173895979 /nfs/dbraw/zinc/89/59/79/173895979.db2.gz WMGDDYBABKQOMA-UHFFFAOYSA-N 0 0 263.381 4.001 10 0 CIAERN CCc1ccc([C@@H](C)Nc2ccc(Cl)cn2)cc1 ZINC000038012775 173981880 /nfs/dbraw/zinc/98/18/80/173981880.db2.gz NPRQOJXKVLNGOC-LLVKDONJSA-N 0 0 260.768 4.471 10 0 CIAERN CCc1ccc([C@H](C)Nc2ccc(Cl)cn2)cc1 ZINC000038012776 173982405 /nfs/dbraw/zinc/98/24/05/173982405.db2.gz NPRQOJXKVLNGOC-NSHDSACASA-N 0 0 260.768 4.471 10 0 CIAERN Nc1ccc(Cl)c(Nc2nccc3sccc32)c1 ZINC000038033845 174032374 /nfs/dbraw/zinc/03/23/74/174032374.db2.gz PJZFWESJWHGQEX-UHFFFAOYSA-N 0 0 275.764 4.276 10 0 CIAERN Nc1cc(F)c(Nc2ccccc2C(F)(F)F)c(F)c1 ZINC000038039959 174039470 /nfs/dbraw/zinc/03/94/70/174039470.db2.gz DFUSRCSAIKFDFR-UHFFFAOYSA-N 0 0 288.219 4.309 10 0 CIAERN C[C@@H]1CCc2ccccc2N1c1c(F)cc(N)cc1F ZINC000038039836 174039865 /nfs/dbraw/zinc/03/98/65/174039865.db2.gz SXYMLBOUUQKGGL-SNVBAGLBSA-N 0 0 274.314 4.020 10 0 CIAERN Cc1ccc(Cl)cc1Nc1c(F)cc(N)cc1F ZINC000038040027 174040192 /nfs/dbraw/zinc/04/01/92/174040192.db2.gz ZXLGXGMJEBMMCP-UHFFFAOYSA-N 0 0 268.694 4.252 10 0 CIAERN CCCC[C@@H](CC)COc1c(F)cc(N)cc1F ZINC000038040357 174040297 /nfs/dbraw/zinc/04/02/97/174040297.db2.gz IBQQZWYCBQAGBO-SNVBAGLBSA-N 0 0 257.324 4.142 10 0 CIAERN Nc1cc(F)c(O[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000038040318 174040507 /nfs/dbraw/zinc/04/05/07/174040507.db2.gz DNRBVEHRLHDJQC-OAHLLOKOSA-N 0 0 275.298 4.003 10 0 CIAERN Cc1cccc2oc(-c3cc(N)ccc3Cl)nc21 ZINC000038052720 174063811 /nfs/dbraw/zinc/06/38/11/174063811.db2.gz XVCFMWAFCUNZGT-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN Cc1cccc2oc(-c3ccc(Cl)cc3N)nc21 ZINC000038052737 174063877 /nfs/dbraw/zinc/06/38/77/174063877.db2.gz HPMNILTXQSXPAU-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN Cc1cccc2oc(-c3ccc4c(c3)CCCN4)nc21 ZINC000038052787 174064086 /nfs/dbraw/zinc/06/40/86/174064086.db2.gz IWOSVEBGHHPNSQ-UHFFFAOYSA-N 0 0 264.328 4.161 10 0 CIAERN COc1ccc(-c2cc(Cl)ccc2Cl)cc1C=O ZINC000038069687 174081013 /nfs/dbraw/zinc/08/10/13/174081013.db2.gz AGISYRPNURRRGY-UHFFFAOYSA-N 0 0 281.138 4.482 10 0 CIAERN Cc1cc(C)cc(C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000038077206 174087506 /nfs/dbraw/zinc/08/75/06/174087506.db2.gz VKRNOFXUAJUDFM-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN Clc1ccc(Oc2cccc3ccccc32)nn1 ZINC000038082316 174090984 /nfs/dbraw/zinc/09/09/84/174090984.db2.gz LHOJMLOGHJNVDV-UHFFFAOYSA-N 0 0 256.692 4.076 10 0 CIAERN COc1ccc(C(=O)Cc2ccccc2)c(Cl)c1Cl ZINC000038286282 174138869 /nfs/dbraw/zinc/13/88/69/174138869.db2.gz GMQPXSIUBYYIEO-UHFFFAOYSA-N 0 0 295.165 4.427 10 0 CIAERN Cc1nc(-c2ccccc2-c2nc3ccccc3[nH]2)[nH]c1C ZINC000038314876 174139275 /nfs/dbraw/zinc/13/92/75/174139275.db2.gz DUVSGSHFGWUNFD-UHFFFAOYSA-N 0 0 288.354 4.237 10 0 CIAERN CC(C)c1cc(O)c(Br)cc1Br ZINC000038540056 174146176 /nfs/dbraw/zinc/14/61/76/174146176.db2.gz BCJUMDUYYONIPW-UHFFFAOYSA-N 0 0 293.986 4.041 10 0 CIAERN C/C(=C\[C@@H]1C(C)=CCCC1(C)C)[C@]1(C)OC[C@H](C)O1 ZINC000038652035 174150547 /nfs/dbraw/zinc/15/05/47/174150547.db2.gz OLJZZCKBGUFAEV-BDIILATJSA-N 0 0 264.409 4.467 10 0 CIAERN CCc1cc2cc(OC)ccc2n1Cc1ccccc1 ZINC000038978781 174160712 /nfs/dbraw/zinc/16/07/12/174160712.db2.gz XATUTFYLKYJGBF-UHFFFAOYSA-N 0 0 265.356 4.261 10 0 CIAERN Cc1sc2nc(-c3ccc(Cl)cc3)cn2c1C ZINC000039000736 174161386 /nfs/dbraw/zinc/16/13/86/174161386.db2.gz HZQWWGBORNVEDU-UHFFFAOYSA-N 0 0 262.765 4.333 10 0 CIAERN O=C(Nc1ccc2sccc2c1)c1ccccc1 ZINC000039073207 174162315 /nfs/dbraw/zinc/16/23/15/174162315.db2.gz YQQBEDSLMBNDDU-UHFFFAOYSA-N 0 0 253.326 4.154 10 0 CIAERN O=C1c2ccccc2N=C(c2ccccc2)C1(Cl)Cl ZINC000039124043 174163625 /nfs/dbraw/zinc/16/36/25/174163625.db2.gz XXDKJRSMIFSBTG-UHFFFAOYSA-N 0 0 290.149 4.178 10 0 CIAERN Cc1cc2c(s1)C[C@@H](C)N1C(=O)O[C@@H](c3ccccc3)[C@@H]21 ZINC000039136262 174164069 /nfs/dbraw/zinc/16/40/69/174164069.db2.gz NUARZZJUXSGPHN-GTTSAUCSSA-N 0 0 299.395 4.236 10 0 CIAERN C=C(c1ccncc1)c1cc(Cl)ccc1Cl ZINC000039206584 174165779 /nfs/dbraw/zinc/16/57/79/174165779.db2.gz WNNINGYXTRTZPK-UHFFFAOYSA-N 0 0 250.128 4.450 10 0 CIAERN CCOC(=O)c1cc2cc(-c3ccccc3)ccc2[nH]1 ZINC000039221806 174166281 /nfs/dbraw/zinc/16/62/81/174166281.db2.gz LGCJHSHDRDEELV-UHFFFAOYSA-N 0 0 265.312 4.012 10 0 CIAERN O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000039927885 174174748 /nfs/dbraw/zinc/17/47/48/174174748.db2.gz XLTTVUOPEXWBOU-UHFFFAOYSA-N 0 0 272.247 4.126 10 0 CIAERN Clc1cccc2c(NNc3ccccc3)ccnc12 ZINC000039963764 174179621 /nfs/dbraw/zinc/17/96/21/174179621.db2.gz WOAASRZXHYFENV-UHFFFAOYSA-N 0 0 269.735 4.327 10 0 CIAERN Cc1ccccc1Nc1ccnc2c(F)cccc12 ZINC000039963700 174179923 /nfs/dbraw/zinc/17/99/23/174179923.db2.gz PUOATQMNRWIXFV-UHFFFAOYSA-N 0 0 252.292 4.426 10 0 CIAERN Cc1ccccc1C(=O)Oc1ccc(Cl)c2cccnc12 ZINC000040165878 174197453 /nfs/dbraw/zinc/19/74/53/174197453.db2.gz YLOMDWGRDGAGBB-UHFFFAOYSA-N 0 0 297.741 4.416 10 0 CIAERN CCOC(=O)c1c(C)[nH]cc1Cc1ccc(C(C)C)cc1 ZINC000040169500 174199575 /nfs/dbraw/zinc/19/95/75/174199575.db2.gz SXJDXHYXZHKYKT-UHFFFAOYSA-N 0 0 285.387 4.214 10 0 CIAERN CCOc1ccccc1O[C@H](C)c1nc2ccccc2[nH]1 ZINC000040169857 174199848 /nfs/dbraw/zinc/19/98/48/174199848.db2.gz KYQNBTINWGZVRC-GFCCVEGCSA-N 0 0 282.343 4.102 10 0 CIAERN Cc1cc(C)c2nc(C)cc(NC(=O)CC(C)C)c2c1 ZINC000040177080 174202519 /nfs/dbraw/zinc/20/25/19/174202519.db2.gz CRPDYCJOHOPMQU-UHFFFAOYSA-N 0 0 270.376 4.145 10 0 CIAERN Cc1ccc(OCCCn2cnc3ccccc32)c(C)c1 ZINC000040223935 174207553 /nfs/dbraw/zinc/20/75/53/174207553.db2.gz VOCUMAZJXXKCAS-UHFFFAOYSA-N 0 0 280.371 4.122 10 0 CIAERN Cc1nc2ccccc2n1CCCOc1ccc(C)cc1C ZINC000040224668 174207961 /nfs/dbraw/zinc/20/79/61/174207961.db2.gz MRCRAUPOOPIMMG-UHFFFAOYSA-N 0 0 294.398 4.431 10 0 CIAERN CCN(c1cccc(C)c1)c1ccccc1[C@H](C)O ZINC000040235303 174212071 /nfs/dbraw/zinc/21/20/71/174212071.db2.gz NSCNFMRNCYCCQX-AWEZNQCLSA-N 0 0 255.361 4.206 10 0 CIAERN CC(C)(C)c1nc2ccccc2n1CCOc1ccccc1 ZINC000040239219 174212227 /nfs/dbraw/zinc/21/22/27/174212227.db2.gz OFZBZJCGMDIXGL-UHFFFAOYSA-N 0 0 294.398 4.413 10 0 CIAERN CCOCCn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040239690 174212898 /nfs/dbraw/zinc/21/28/98/174212898.db2.gz JZOSDTWMXRAGRP-UHFFFAOYSA-N 0 0 280.371 4.048 10 0 CIAERN CCOc1cc(Cl)c([C@H](O)CC(C)C)cc1OCC ZINC000040259549 174216498 /nfs/dbraw/zinc/21/64/98/174216498.db2.gz BQNIZMZHVYQLCC-CYBMUJFWSA-N 0 0 286.799 4.217 10 0 CIAERN CCC(C)(C)c1ccc([C@H](O)COc2cccc(N)c2)cc1 ZINC000040352174 174245061 /nfs/dbraw/zinc/24/50/61/174245061.db2.gz JBDVPSCLWDJVCY-GOSISDBHSA-N 0 0 299.414 4.069 10 0 CIAERN COCCn1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040404684 174254121 /nfs/dbraw/zinc/25/41/21/174254121.db2.gz CLGQZLXKFPNUAW-UHFFFAOYSA-N 0 0 286.762 4.003 10 0 CIAERN CCCn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040417572 174256126 /nfs/dbraw/zinc/25/61/26/174256126.db2.gz YMRLJNPIJAGFIJ-UHFFFAOYSA-N 0 0 260.724 4.360 10 0 CIAERN Cc1cc(C)c(OCCCOc2cccc(N)c2)c(C)c1 ZINC000040677952 174374393 /nfs/dbraw/zinc/37/43/93/174374393.db2.gz UEQQTBXCEIYUND-UHFFFAOYSA-N 0 0 285.387 4.042 10 0 CIAERN Fc1ccc(NCc2ccco2)cc1C(F)(F)F ZINC000040712552 174381158 /nfs/dbraw/zinc/38/11/58/174381158.db2.gz KHHZAKLZWGPVDS-UHFFFAOYSA-N 0 0 259.202 4.050 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Oc1cc(C)cc(C)c1 ZINC000040950289 174438336 /nfs/dbraw/zinc/43/83/36/174438336.db2.gz PZRLSCOXHBXCEO-MDZDMXLPSA-N 0 0 296.366 4.321 10 0 CIAERN CCCCc1nn2c(C)c(-c3ccc(F)cc3)nc2s1 ZINC000040963656 174440395 /nfs/dbraw/zinc/44/03/95/174440395.db2.gz MLUCRUZYAQNMRX-UHFFFAOYSA-N 0 0 289.379 4.248 10 0 CIAERN CC(=O)c1sc2nc(-c3ccc(C)c(C)c3)cn2c1C ZINC000041005668 174448037 /nfs/dbraw/zinc/44/80/37/174448037.db2.gz JHNFGBRZORMDMS-UHFFFAOYSA-N 0 0 284.384 4.191 10 0 CIAERN CCN(CC)c1nc2ccccc2c(NC2CCCCC2)n1 ZINC000041152754 174499431 /nfs/dbraw/zinc/49/94/31/174499431.db2.gz CYYQADVCGBFVRW-UHFFFAOYSA-N 0 0 298.434 4.221 10 0 CIAERN CCCC(=O)CCCc1ccc(Br)cc1 ZINC000041389221 174543549 /nfs/dbraw/zinc/54/35/49/174543549.db2.gz ALJIHCUBBNCSRW-UHFFFAOYSA-N 0 0 269.182 4.141 10 0 CIAERN Cc1cc(C)c(COc2ccccc2[C@@H](C)O)c(C)c1 ZINC000041392108 174545295 /nfs/dbraw/zinc/54/52/95/174545295.db2.gz NENFYKNZEJJDJJ-OAHLLOKOSA-N 0 0 270.372 4.244 10 0 CIAERN OC[C@@H](c1cccc(Br)c1)C1CCCCC1 ZINC000041440280 174553550 /nfs/dbraw/zinc/55/35/50/174553550.db2.gz WENMKCZEBNPXFK-CQSZACIVSA-N 0 0 283.209 4.105 10 0 CIAERN CN(C)c1ccc([C@H](O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000041441275 174553566 /nfs/dbraw/zinc/55/35/66/174553566.db2.gz KTXDSKMATPWNQO-GOSISDBHSA-N 0 0 283.415 4.132 10 0 CIAERN Cc1cc(C)c(C[C@@H](CO)Cc2ccc(F)cc2)c(C)c1 ZINC000041463121 174556048 /nfs/dbraw/zinc/55/60/48/174556048.db2.gz YEEDXMGFLMLJSA-KRWDZBQOSA-N 0 0 286.390 4.145 10 0 CIAERN Clc1cc2nc(C3CC3)oc2c(Br)c1 ZINC000041569322 174568215 /nfs/dbraw/zinc/56/82/15/174568215.db2.gz ZAWXCCQVXSBXOY-UHFFFAOYSA-N 0 0 272.529 4.121 10 0 CIAERN Cc1nc2c(o1)c(Br)c(C)c(Cl)c2C ZINC000041569356 174568471 /nfs/dbraw/zinc/56/84/71/174568471.db2.gz ZFHIGYZREYUGED-UHFFFAOYSA-N 0 0 274.545 4.169 10 0 CIAERN Clc1cccc(Nc2ccc(Br)cn2)c1 ZINC000042376625 174703592 /nfs/dbraw/zinc/70/35/92/174703592.db2.gz HGIWXIGMGSLZQT-UHFFFAOYSA-N 0 0 283.556 4.241 10 0 CIAERN Clc1ccc(-c2nc3c(c(Cl)n2)CCC3)s1 ZINC000042400339 174709904 /nfs/dbraw/zinc/70/99/04/174709904.db2.gz DLJLHOKNOAHLGQ-UHFFFAOYSA-N 0 0 271.172 4.001 10 0 CIAERN CC[C@H](C)[C@@H](C)n1c2cccc(F)c2[nH]c1=S ZINC000042557684 174794137 /nfs/dbraw/zinc/79/41/37/174794137.db2.gz PYFOIDCQQYARAF-DTWKUNHWSA-N 0 0 252.358 4.445 10 0 CIAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1ccc(Cl)s1 ZINC000042591581 174811728 /nfs/dbraw/zinc/81/17/28/174811728.db2.gz IULUFXIBQCVYDS-SSDOTTSWSA-N 0 0 287.841 4.388 10 0 CIAERN CC/C(=C\c1cc2ccc(C)cc2nc1Cl)[N+](=O)[O-] ZINC000042906082 174907713 /nfs/dbraw/zinc/90/77/13/174907713.db2.gz ZXBVHPYPUWTANS-XYOKQWHBSA-N 0 0 276.723 4.224 10 0 CIAERN CC(C)SCc1cc(Br)cs1 ZINC000043687794 175095023 /nfs/dbraw/zinc/09/50/23/175095023.db2.gz MJCHLAIEZZLSGA-UHFFFAOYSA-N 0 0 251.214 4.152 10 0 CIAERN FC(F)(F)c1nc(-c2ccccc2)nc2c1CCCC2 ZINC000043463620 175052433 /nfs/dbraw/zinc/05/24/33/175052433.db2.gz UTYXIIDOYFUNQQ-UHFFFAOYSA-N 0 0 278.277 4.041 10 0 CIAERN CCCc1c(=O)c2ccccc2sc1C(F)(F)F ZINC000043464956 175052622 /nfs/dbraw/zinc/05/26/22/175052622.db2.gz WQOUQVWIRDNADV-UHFFFAOYSA-N 0 0 272.291 4.233 10 0 CIAERN Oc1ccc(CNc2ccc(Cl)cc2)cc1Cl ZINC000043476840 175054675 /nfs/dbraw/zinc/05/46/75/175054675.db2.gz CNGMHXMTEXASJQ-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN O[C@H](CCc1ccc(Br)s1)c1ccccc1 ZINC000043656474 175085722 /nfs/dbraw/zinc/08/57/22/175085722.db2.gz XFEBJWXOSKGZBD-GFCCVEGCSA-N 0 0 297.217 4.177 10 0 CIAERN O=C(CCc1sccc1Br)c1ccccc1 ZINC000043676088 175088203 /nfs/dbraw/zinc/08/82/03/175088203.db2.gz PZOJESKSCZHXSO-UHFFFAOYSA-N 0 0 295.201 4.326 10 0 CIAERN Cc1cccc(OCc2cc(Br)cs2)c1 ZINC000043687536 175094869 /nfs/dbraw/zinc/09/48/69/175094869.db2.gz PAQLGRHDZNCARW-UHFFFAOYSA-N 0 0 283.190 4.398 10 0 CIAERN C[C@H]1CCC(=O)[C@H](Cc2cc(Br)cs2)C1 ZINC000043687998 175094978 /nfs/dbraw/zinc/09/49/78/175094978.db2.gz APGRGDYUPJOSGS-IUCAKERBSA-N 0 0 287.222 4.058 10 0 CIAERN O[C@@H](CCc1cc(Br)cs1)c1ccccc1 ZINC000043688702 175096087 /nfs/dbraw/zinc/09/60/87/175096087.db2.gz DJFOHCZJZBLJDM-ZDUSSCGKSA-N 0 0 297.217 4.177 10 0 CIAERN Cc1nc(Cl)cc(-c2ccccc2C(F)(F)F)n1 ZINC000044119498 175142004 /nfs/dbraw/zinc/14/20/04/175142004.db2.gz WDUWVMUCBZLTTO-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN COc1ccccc1-c1csc(Br)c1 ZINC000044120905 175143013 /nfs/dbraw/zinc/14/30/13/175143013.db2.gz GETIEPTUCDLZTD-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN C[C@H](CCc1ccco1)n1c(=S)[nH]c2ccccc21 ZINC000044389124 175170405 /nfs/dbraw/zinc/17/04/05/175170405.db2.gz AINLHVKULANHNA-LLVKDONJSA-N 0 0 272.373 4.486 10 0 CIAERN CC(C)c1ccc(CNc2nc3ccccc3[nH]2)cc1 ZINC000045046147 175296298 /nfs/dbraw/zinc/29/62/98/175296298.db2.gz DFRCHRWDOJXNPY-UHFFFAOYSA-N 0 0 265.360 4.298 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000045794817 175383635 /nfs/dbraw/zinc/38/36/35/175383635.db2.gz SKBQVIRTDCSEDL-CYBMUJFWSA-N 0 0 296.370 4.177 10 0 CIAERN C[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)c1ccccc1 ZINC000047821947 175414006 /nfs/dbraw/zinc/41/40/06/175414006.db2.gz DDQADJRXUJYJQZ-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN Cc1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000065340524 175710226 /nfs/dbraw/zinc/71/02/26/175710226.db2.gz BGWFRCAJNCUPPR-UHFFFAOYSA-N 0 0 252.235 4.386 10 0 CIAERN COc1ccc(C(F)(F)F)cc1-c1cc(C)cc(O)c1 ZINC000065340623 175710665 /nfs/dbraw/zinc/71/06/65/175710665.db2.gz OHOUQGNESGJFIJ-UHFFFAOYSA-N 0 0 282.261 4.395 10 0 CIAERN CC(=O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC000065344144 175713971 /nfs/dbraw/zinc/71/39/71/175713971.db2.gz AJSAXUMREJYVLS-UHFFFAOYSA-N 0 0 296.244 4.160 10 0 CIAERN Cc1c(Cl)nnc(NCc2ccccc2Cl)c1C ZINC000071171183 176051274 /nfs/dbraw/zinc/05/12/74/176051274.db2.gz MAQJOKAIGFCYBK-UHFFFAOYSA-N 0 0 282.174 4.012 10 0 CIAERN C[C@H]1CCC[C@@H]1n1c2c(ccc(F)c2F)[nH]c1=S ZINC000071208650 176081169 /nfs/dbraw/zinc/08/11/69/176081169.db2.gz JGIRQAYQNIXCJW-XVKPBYJWSA-N 0 0 268.332 4.338 10 0 CIAERN Cc1cc2c(n1[C@H]1CCC[C@H]1C)CC(C)(C)C[C@@H]2O ZINC000071209360 176081580 /nfs/dbraw/zinc/08/15/80/176081580.db2.gz YOXYLNKPPQXYBI-WPGHFRTFSA-N 0 0 261.409 4.163 10 0 CIAERN Cc1cc2c(n1[C@H]1CCC[C@@H]1C)CC(C)(C)C[C@@H]2O ZINC000071209358 176081604 /nfs/dbraw/zinc/08/16/04/176081604.db2.gz YOXYLNKPPQXYBI-PJODQICGSA-N 0 0 261.409 4.163 10 0 CIAERN Cc1ncsc1Cn1c(=S)[nH]c2cc(Cl)ccc21 ZINC000071213338 176084687 /nfs/dbraw/zinc/08/46/87/176084687.db2.gz BUDOTXVTHJOLBR-UHFFFAOYSA-N 0 0 295.820 4.166 10 0 CIAERN Cc1cccnc1CNc1ccc(C(F)(F)F)cc1 ZINC000071344329 176130854 /nfs/dbraw/zinc/13/08/54/176130854.db2.gz WIDWBDNRZFEXLI-UHFFFAOYSA-N 0 0 266.266 4.021 10 0 CIAERN Cc1ccc(OCc2ccc(C)c(C)c2)c(C=O)c1 ZINC000071408434 176156728 /nfs/dbraw/zinc/15/67/28/176156728.db2.gz CEVCWNUCOPZQML-UHFFFAOYSA-N 0 0 254.329 4.003 10 0 CIAERN Cc1ccncc1NCc1ccc(C(C)(C)C)cc1 ZINC000071412953 176158335 /nfs/dbraw/zinc/15/83/35/176158335.db2.gz DVJKTKGGZZVJTO-UHFFFAOYSA-N 0 0 254.377 4.300 10 0 CIAERN Nc1cccc(C(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000071456252 176178603 /nfs/dbraw/zinc/17/86/03/176178603.db2.gz KBHMUYACLQSGOC-UHFFFAOYSA-N 0 0 273.335 4.167 10 0 CIAERN Cn1cc(C(=O)C2CCCC2)c2ccc(Cl)cc21 ZINC000071492602 176191073 /nfs/dbraw/zinc/19/10/73/176191073.db2.gz IDMORSDPJASRMY-UHFFFAOYSA-N 0 0 261.752 4.205 10 0 CIAERN CCCc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071598898 176222887 /nfs/dbraw/zinc/22/28/87/176222887.db2.gz OUQYORRXOBTFNW-UHFFFAOYSA-N 0 0 267.159 4.403 10 0 CIAERN FC(F)(F)c1ccccc1-c1cc(Cl)nc(Cl)n1 ZINC000072193236 176336846 /nfs/dbraw/zinc/33/68/46/176336846.db2.gz ABVLNXGTVAXAEC-UHFFFAOYSA-N 0 0 293.075 4.469 10 0 CIAERN CCOC(=O)c1cnc2cc(Cl)c(C)cc2c1Cl ZINC000072237403 176346215 /nfs/dbraw/zinc/34/62/15/176346215.db2.gz CVNGNUSGKAKEQA-UHFFFAOYSA-N 0 0 284.142 4.027 10 0 CIAERN COc1cccc(-c2ccnc(Nc3ccc(C)cc3)n2)c1 ZINC000072443527 176403846 /nfs/dbraw/zinc/40/38/46/176403846.db2.gz YZJDXSJPIGMKFU-UHFFFAOYSA-N 0 0 291.354 4.204 10 0 CIAERN Cc1ccc(-c2csc3c2ncnc3Cl)cc1 ZINC000073666300 176484619 /nfs/dbraw/zinc/48/46/19/176484619.db2.gz QJTJZMKOUYQONI-UHFFFAOYSA-N 0 0 260.749 4.320 10 0 CIAERN S=c1cc(-c2ccccn2)nc(-c2cccc(Cl)c2)[nH]1 ZINC000073695449 176486452 /nfs/dbraw/zinc/48/64/52/176486452.db2.gz OFZUVAYRMKPOBL-UHFFFAOYSA-N 0 0 299.786 4.148 10 0 CIAERN Cc1ccc2oc(-c3n[nH]c(=S)n3C(C)C)cc2c1 ZINC000077069989 177185249 /nfs/dbraw/zinc/18/52/49/177185249.db2.gz AOHLMTKSPWVGHI-UHFFFAOYSA-N 0 0 273.361 4.243 10 0 CIAERN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000078820018 177393571 /nfs/dbraw/zinc/39/35/71/177393571.db2.gz NNUGMBWOWKRTTF-ZJUUUORDSA-N 0 0 271.763 4.093 10 0 CIAERN Clc1ccc2c(c1)CC[C@H]2Nc1ccnc(C2CC2)n1 ZINC000301272631 227494991 /nfs/dbraw/zinc/49/49/91/227494991.db2.gz VTTSRHBTNNFOLF-CQSZACIVSA-N 0 0 285.778 4.107 10 0 CIAERN C[C@@H](Nc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000301702708 227647283 /nfs/dbraw/zinc/64/72/83/227647283.db2.gz AEPHCQYVGISBAH-ZCFIWIBFSA-N 0 0 278.324 4.397 10 0 CIAERN Cc1nc(C(C)C)oc1CSc1nnc(C(C)(C)C)o1 ZINC000333683285 228209905 /nfs/dbraw/zinc/20/99/05/228209905.db2.gz LOGHVAPNOOMNTQ-UHFFFAOYSA-N 0 0 295.408 4.079 10 0 CIAERN Cc1ccncc1-c1noc([C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000333168818 228191993 /nfs/dbraw/zinc/19/19/93/228191993.db2.gz JVPZQMNFCLHWLT-KGLIPLIRSA-N 0 0 283.375 4.124 10 0 CIAERN Cc1ccncc1-c1noc([C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000333168820 228192101 /nfs/dbraw/zinc/19/21/01/228192101.db2.gz JVPZQMNFCLHWLT-UONOGXRCSA-N 0 0 283.375 4.124 10 0 CIAERN Cc1ccncc1-c1noc(C2=CCC(C)(C)CC2)n1 ZINC000333846971 228216940 /nfs/dbraw/zinc/21/69/40/228216940.db2.gz OOLCUTDZFASSPR-UHFFFAOYSA-N 0 0 269.348 4.034 10 0 CIAERN CCC[C@@H](Nc1cn(C)nc1C(C)C)c1ccccc1 ZINC000312406915 260005691 /nfs/dbraw/zinc/00/56/91/260005691.db2.gz NARKMJLFVJWLNT-OAHLLOKOSA-N 0 0 271.408 4.497 10 0 CIAERN CCCOc1ccc([C@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265752 260179294 /nfs/dbraw/zinc/17/92/94/260179294.db2.gz LUSXYWZXBUUFNB-QWHCGFSZSA-N 0 0 290.432 4.344 10 0 CIAERN Cc1cc([C@@H](C)Nc2c(F)c(F)nc(F)c2F)c(C)o1 ZINC000080918157 260182288 /nfs/dbraw/zinc/18/22/88/260182288.db2.gz AIMXTJUDKUQYSC-ZCFIWIBFSA-N 0 0 288.244 4.021 10 0 CIAERN CC[C@H](Nc1cn(C)nc1C(C)C)c1cccc(F)c1 ZINC000312829814 260209430 /nfs/dbraw/zinc/20/94/30/260209430.db2.gz UERLGKNHAIKJJL-AWEZNQCLSA-N 0 0 275.371 4.246 10 0 CIAERN CC(C)(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086962573 260210896 /nfs/dbraw/zinc/21/08/96/260210896.db2.gz XNFBUFDUZUAYOU-PWUWZPNHSA-N 0 0 295.467 4.214 10 0 CIAERN Cc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1F ZINC000088521339 260233395 /nfs/dbraw/zinc/23/33/95/260233395.db2.gz MLMAMXFSZASDDU-VIFPVBQESA-N 0 0 299.271 4.116 10 0 CIAERN Cc1nc(C)c(CNc2ccc(C(F)(F)F)cc2)s1 ZINC000088867307 260234893 /nfs/dbraw/zinc/23/48/93/260234893.db2.gz OYMQQLMLIKLKJA-UHFFFAOYSA-N 0 0 286.322 4.391 10 0 CIAERN CC(=O)Nc1cc(NCC2CCC(C)CC2)ccc1F ZINC000089576481 260237816 /nfs/dbraw/zinc/23/78/16/260237816.db2.gz CBXYDBNASIOVFL-UHFFFAOYSA-N 0 0 278.371 4.022 10 0 CIAERN Cc1ccc(COc2cccc3scnc32)cc1 ZINC000064503595 260241705 /nfs/dbraw/zinc/24/17/05/260241705.db2.gz BJLUUFHLPDISAN-UHFFFAOYSA-N 0 0 255.342 4.184 10 0 CIAERN CCCn1ccc(CNc2cnc3ccccc3c2)c1 ZINC000091010824 260264717 /nfs/dbraw/zinc/26/47/17/260264717.db2.gz OHRQCVJFFYILII-UHFFFAOYSA-N 0 0 265.360 4.058 10 0 CIAERN CCn1nc(C)c([C@H](C)Nc2cccc(C)c2)c1C ZINC000045166866 260649583 /nfs/dbraw/zinc/64/95/83/260649583.db2.gz FMRSKAQLKZRMHW-LBPRGKRZSA-N 0 0 257.381 4.001 10 0 CIAERN Cc1nc([C@@H](C)N[C@@H](C)c2cccc(C)c2)cs1 ZINC000160170982 260947645 /nfs/dbraw/zinc/94/76/45/260947645.db2.gz MZXIFENWNOSSLL-NWDGAFQWSA-N 0 0 260.406 4.172 10 0 CIAERN Clc1nc2ccccc2c(Oc2ccccc2)n1 ZINC000052811367 261143398 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/nfs/dbraw/zinc/16/50/69/327165069.db2.gz LLLVQCKYAVAEHL-UHFFFAOYSA-N 0 0 298.308 4.409 10 0 CIAERN CCCOc1ccccc1NCc1ccn(CCC)c1 ZINC000091010543 327165140 /nfs/dbraw/zinc/16/51/40/327165140.db2.gz ADQZOCXOIUXURX-UHFFFAOYSA-N 0 0 272.392 4.299 10 0 CIAERN CCCn1ccc(CNc2ccccc2Br)c1 ZINC000091009269 327182690 /nfs/dbraw/zinc/18/26/90/327182690.db2.gz IBDGDNMWHHWGKW-UHFFFAOYSA-N 0 0 293.208 4.273 10 0 CIAERN Cc1nc(N[C@H](C)c2ccc(C)c(F)c2)sc1C ZINC000094957940 327202173 /nfs/dbraw/zinc/20/21/73/327202173.db2.gz XHFNVINONYWPHG-SNVBAGLBSA-N 0 0 264.369 4.381 10 0 CIAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccoc1 ZINC000094867436 327251297 /nfs/dbraw/zinc/25/12/97/327251297.db2.gz KGDAOIAJFUTYKI-VIFPVBQESA-N 0 0 255.239 4.472 10 0 CIAERN COc1ccc([C@@H](C)Nc2cc(OC)ccc2F)cc1 ZINC000094854941 328626728 /nfs/dbraw/zinc/62/67/28/328626728.db2.gz WMDQWTJNMFJLPH-LLVKDONJSA-N 0 0 275.323 4.016 10 0 CIAERN CC[C@@H](Nc1cc(OC)ccc1F)c1cccs1 ZINC000094854824 328626888 /nfs/dbraw/zinc/62/68/88/328626888.db2.gz 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/nfs/dbraw/zinc/24/06/87/329240687.db2.gz HVWUQAMKCZKIEC-TVQRCGJNSA-N 0 0 276.207 4.069 10 0 CIAERN Cc1cccnc1NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000184828716 329263281 /nfs/dbraw/zinc/26/32/81/329263281.db2.gz BRWNMJUWQRLRFS-UHFFFAOYSA-N 0 0 298.777 4.046 10 0 CIAERN Cc1cnc([C@@H](C)NCc2cc(Cl)ccc2Cl)o1 ZINC000230647819 329368001 /nfs/dbraw/zinc/36/80/01/329368001.db2.gz BNHFTDCWZNGSTR-SECBINFHSA-N 0 0 285.174 4.141 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)NCc2ccc(C3CC3)cc2)o1 ZINC000190515795 329398856 /nfs/dbraw/zinc/39/88/56/329398856.db2.gz MZLRFKDUXNUMRU-ZDUSSCGKSA-N 0 0 298.386 4.026 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116420249 329545001 /nfs/dbraw/zinc/54/50/01/329545001.db2.gz UEDAINCOVJCIDL-GOEBONIOSA-N 0 0 298.386 4.196 10 0 CIAERN Cc1cc([C@@H](C)N[C@H](C)c2csc(C)n2)c(C)o1 ZINC000044729763 329593597 /nfs/dbraw/zinc/59/35/97/329593597.db2.gz SKUYHKZEMUECDE-NXEZZACHSA-N 0 0 264.394 4.073 10 0 CIAERN Fc1cc(F)cc(CN2CCCC[C@H]2c2nccs2)c1 ZINC000127621367 329601315 /nfs/dbraw/zinc/60/13/15/329601315.db2.gz JXOJWYHHHXJAGU-AWEZNQCLSA-N 0 0 294.370 4.149 10 0 CIAERN CCC(CC)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000128439738 329608117 /nfs/dbraw/zinc/60/81/17/329608117.db2.gz KDJRFIYLVCQCHJ-ZDUSSCGKSA-N 0 0 280.437 4.023 10 0 CIAERN Cc1cc(N[C@H](C)c2cccs2)nc(-c2ccncc2)n1 ZINC000140869712 329679913 /nfs/dbraw/zinc/67/99/13/329679913.db2.gz SEUHBBHXFCGAGY-GFCCVEGCSA-N 0 0 296.399 4.082 10 0 CIAERN c1csc([C@@H]2CCCCN2Cc2nc3ccccc3o2)n1 ZINC000195366082 329691270 /nfs/dbraw/zinc/69/12/70/329691270.db2.gz UQSBXUMZFCJFFF-ZDUSSCGKSA-N 0 0 299.399 4.012 10 0 CIAERN Fc1cccc(CN2CCCC[C@H]2c2nccs2)c1F ZINC000195363736 329691370 /nfs/dbraw/zinc/69/13/70/329691370.db2.gz MLIMDRNDGIPAAZ-ZDUSSCGKSA-N 0 0 294.370 4.149 10 0 CIAERN C[C@H]1CC(CC[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)C[C@H](C)C1 ZINC000263176725 330047459 /nfs/dbraw/zinc/04/74/59/330047459.db2.gz STTWYUUHQIMDGX-BZUAXINKSA-N 0 0 295.467 4.026 10 0 CIAERN C[C@H]1CC(CC[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)C[C@H](C)C1 ZINC000263176726 330047491 /nfs/dbraw/zinc/04/74/91/330047491.db2.gz STTWYUUHQIMDGX-OAGGEKHMSA-N 0 0 295.467 4.026 10 0 CIAERN C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000263415846 330054731 /nfs/dbraw/zinc/05/47/31/330054731.db2.gz NGCSYLFDRPQVKG-SCLBCKFNSA-N 0 0 295.382 4.113 10 0 CIAERN C[C@H]1CC[C@@H](NC(=O)Cc2ccsc2)c2ccccc21 ZINC000162782704 330116729 /nfs/dbraw/zinc/11/67/29/330116729.db2.gz SFBWZPBXQSBYHC-BLLLJJGKSA-N 0 0 285.412 4.045 10 0 CIAERN CC(C)c1nn(C)cc1N[C@H]1CCCc2sccc21 ZINC000336809956 330123935 /nfs/dbraw/zinc/12/39/35/330123935.db2.gz XOYWFPUQFQKFBC-LBPRGKRZSA-N 0 0 275.421 4.095 10 0 CIAERN CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1 ZINC000036895714 330310980 /nfs/dbraw/zinc/31/09/80/330310980.db2.gz JWNQXBJYYJLIHW-UHFFFAOYSA-N 0 0 280.371 4.030 10 0 CIAERN C[C@@H](NCc1cccc(O)c1Cl)c1ccc(F)c(F)c1 ZINC000328079490 330311873 /nfs/dbraw/zinc/31/18/73/330311873.db2.gz AHECRYKPAQDSRU-SECBINFHSA-N 0 0 297.732 4.175 10 0 CIAERN C[C@H](NC(=O)CCc1ccc(Cl)s1)c1cccs1 ZINC000044315005 330327448 /nfs/dbraw/zinc/32/74/48/330327448.db2.gz ZINVTRFRBBUXDZ-VIFPVBQESA-N 0 0 299.848 4.273 10 0 CIAERN CCc1cccc(N[C@H](C)c2c(C)nn(CC)c2C)c1 ZINC000045167721 330340563 /nfs/dbraw/zinc/34/05/63/330340563.db2.gz UEMZQIXGMORFSN-GFCCVEGCSA-N 0 0 271.408 4.255 10 0 CIAERN CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000046294116 330351830 /nfs/dbraw/zinc/35/18/30/330351830.db2.gz NBRKSPPOYLBDQE-RKDXNWHRSA-N 0 0 259.802 4.015 10 0 CIAERN Cc1cccc(-c2cc(C(F)(F)F)c(Cl)nn2)c1 ZINC000536960601 330384164 /nfs/dbraw/zinc/38/41/64/330384164.db2.gz RXQPXSIOUQOLHX-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2ccsc2)c1 ZINC000094854371 330429687 /nfs/dbraw/zinc/42/96/87/330429687.db2.gz MFESZAZOXVHWKW-VIFPVBQESA-N 0 0 251.326 4.069 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1nccc2occc21 ZINC000156738681 330745440 /nfs/dbraw/zinc/74/54/40/330745440.db2.gz KWLIYWJAEJAARV-LBPRGKRZSA-N 0 0 252.317 4.309 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1nccc2occc21 ZINC000156738553 330745447 /nfs/dbraw/zinc/74/54/47/330745447.db2.gz KWLIYWJAEJAARV-GFCCVEGCSA-N 0 0 252.317 4.309 10 0 CIAERN CO[C@@H](C)c1cccc(N[C@H](C)c2cccc(O)c2)c1 ZINC000194953565 331082068 /nfs/dbraw/zinc/08/20/68/331082068.db2.gz PXIUUEAARPVXPH-OLZOCXBDSA-N 0 0 271.360 4.273 10 0 CIAERN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1cncs1 ZINC000164964946 331305509 /nfs/dbraw/zinc/30/55/09/331305509.db2.gz IXPWTDOMXVHLGN-MRVPVSSYSA-N 0 0 288.294 4.215 10 0 CIAERN C[C@H](Nc1cccc(OC(F)(F)F)c1)c1cncs1 ZINC000165044918 331305785 /nfs/dbraw/zinc/30/57/85/331305785.db2.gz GHRWJLJJDAJUDR-QMMMGPOBSA-N 0 0 288.294 4.215 10 0 CIAERN CC(C)N(C)c1ccc(N[C@@H](C)c2cncs2)cc1F ZINC000165176469 331306052 /nfs/dbraw/zinc/30/60/52/331306052.db2.gz AIMKIYUDTULEBS-NSHDSACASA-N 0 0 293.411 4.300 10 0 CIAERN COc1ccc(F)c(N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000165349320 331306168 /nfs/dbraw/zinc/30/61/68/331306168.db2.gz VKHDMRVPJZJYGW-OAHLLOKOSA-N 0 0 275.298 4.073 10 0 CIAERN CC(C)[C@H](C(=O)N[C@@H](C)c1cccs1)c1ccccc1 ZINC000173094368 332964025 /nfs/dbraw/zinc/96/40/25/332964025.db2.gz ZNEIZZDRPYWMEA-BBRMVZONSA-N 0 0 287.428 4.365 10 0 CIAERN Cc1cc(C)c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)o1 ZINC000175491920 333025728 /nfs/dbraw/zinc/02/57/28/333025728.db2.gz DIIZPLBCJUTAHR-GFCCVEGCSA-N 0 0 291.778 4.383 10 0 CIAERN CC(C)N(C(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000175567309 333026917 /nfs/dbraw/zinc/02/69/17/333026917.db2.gz JRPFAXMUDQPIAH-AWEZNQCLSA-N 0 0 296.414 4.483 10 0 CIAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc2ccccc2c1 ZINC000176524444 333042868 /nfs/dbraw/zinc/04/28/68/333042868.db2.gz XXNHYDVBNDDNKD-JBBXEZCESA-N 0 0 279.383 4.063 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)CCC2CCC2)o1 ZINC000176875991 333049638 /nfs/dbraw/zinc/04/96/38/333049638.db2.gz FTZLPOYBLJQKHD-MRXNPFEDSA-N 0 0 289.419 4.476 10 0 CIAERN C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1cccs1 ZINC000177719946 333062250 /nfs/dbraw/zinc/06/22/50/333062250.db2.gz FRNZUPSJHLZQAF-OLZOCXBDSA-N 0 0 295.448 4.053 10 0 CIAERN CC(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000185198948 333136536 /nfs/dbraw/zinc/13/65/36/333136536.db2.gz PXHWFRMISBIOLR-VHSXEESVSA-N 0 0 273.829 4.261 10 0 CIAERN C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000186626919 333163791 /nfs/dbraw/zinc/16/37/91/333163791.db2.gz HHYJWGODXJALIQ-WDEREUQCSA-N 0 0 283.824 4.325 10 0 CIAERN CC(C)=CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000190624329 333209180 /nfs/dbraw/zinc/20/91/80/333209180.db2.gz NLOGHSHYMGLZDW-GFCCVEGCSA-N 0 0 280.799 4.009 10 0 CIAERN CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000191069058 333214747 /nfs/dbraw/zinc/21/47/47/333214747.db2.gz AROSIMNGKJAVTH-HZPDHXFCSA-N 0 0 287.403 4.110 10 0 CIAERN CCc1cc(O)ccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000191069107 333214840 /nfs/dbraw/zinc/21/48/40/333214840.db2.gz AROSIMNGKJAVTH-HOTGVXAUSA-N 0 0 287.403 4.110 10 0 CIAERN C[C@H](NC(=O)[C@@H]1CCCCC1(C)C)c1cccs1 ZINC000194163028 333266468 /nfs/dbraw/zinc/26/64/68/333266468.db2.gz OVCGDFLQXUKFFF-RYUDHWBXSA-N 0 0 265.422 4.142 10 0 CIAERN 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CC1(CNc2nc3ccc(Cl)cc3s2)CCOCC1 ZINC000231675273 333327611 /nfs/dbraw/zinc/32/76/11/333327611.db2.gz AEUOESDLIJMSCE-UHFFFAOYSA-N 0 0 296.823 4.178 10 0 CIAERN c1ccc2c(c1)CC[C@H]2Nc1ccccc1N1CCCC1 ZINC000036958713 333436692 /nfs/dbraw/zinc/43/66/92/333436692.db2.gz LAASVJWQIKQWTH-QGZVFWFLSA-N 0 0 278.399 4.386 10 0 CIAERN Cc1[nH]c2ccc(C(=O)N[C@H](C)C3CCCC3)cc2c1C ZINC000070309066 333807045 /nfs/dbraw/zinc/80/70/45/333807045.db2.gz ZNTWISODPOPOEJ-CYBMUJFWSA-N 0 0 284.403 4.093 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000073414369 333972356 /nfs/dbraw/zinc/97/23/56/333972356.db2.gz BDLGTAWNWRONIK-UONOGXRCSA-N 0 0 286.419 4.029 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)o1 ZINC000074306401 334002862 /nfs/dbraw/zinc/00/28/62/334002862.db2.gz KFKPPXBYTCHQFU-VIFPVBQESA-N 0 0 298.169 4.420 10 0 CIAERN C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000133421316 334040643 /nfs/dbraw/zinc/04/06/43/334040643.db2.gz UJSHVAONVYAQIW-ZIAGYGMSSA-N 0 0 292.423 4.341 10 0 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CIAERN CC(C)[C@@H](C)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000245786768 334219469 /nfs/dbraw/zinc/21/94/69/334219469.db2.gz WDOSKSWNJZROQC-BRWVUGGUSA-N 0 0 297.483 4.303 10 0 CIAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000248367956 334299215 /nfs/dbraw/zinc/29/92/15/334299215.db2.gz UQKVFTKYGPAYMG-KKBVYLPWSA-N 0 0 271.404 4.033 10 0 CIAERN Cc1cccc([C@@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000089670764 334348502 /nfs/dbraw/zinc/34/85/02/334348502.db2.gz PJDBEJHOGLNGPW-CZUORRHYSA-N 0 0 299.418 4.303 10 0 CIAERN CCCC[C@H](CC)CSCc1nnc(C2CC2)n1C ZINC000091029637 334371035 /nfs/dbraw/zinc/37/10/35/334371035.db2.gz KIVADPTWJCZYSJ-LBPRGKRZSA-N 0 0 281.469 4.142 10 0 CIAERN CCCC(CCC)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000163231574 334693103 /nfs/dbraw/zinc/69/31/03/334693103.db2.gz GVBZWUITYONFEU-OLZOCXBDSA-N 0 0 293.373 4.440 10 0 CIAERN CC1(C)CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000179247852 335483061 /nfs/dbraw/zinc/48/30/61/335483061.db2.gz 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0 294.445 4.131 10 0 CIAERN CC(C)(C)c1ccccc1Oc1nc(Cl)nc(Cl)n1 ZINC000061517821 519063168 /nfs/dbraw/zinc/06/31/68/519063168.db2.gz GHHYJMJYBQMHIL-UHFFFAOYSA-N 0 0 298.173 4.268 10 0 CIAERN CC(C)(C)c1nc2cc(N)ccc2n1-c1ccccc1F ZINC000052842310 519105929 /nfs/dbraw/zinc/10/59/29/519105929.db2.gz MXBPFBXOTXSCMS-UHFFFAOYSA-N 0 0 283.350 4.044 10 0 CIAERN CC(C)Cc1ccc([C@@H](C)NCc2nccs2)cc1 ZINC000041011932 519445643 /nfs/dbraw/zinc/44/56/43/519445643.db2.gz TZIPCIGLAXBJMP-CYBMUJFWSA-N 0 0 274.433 4.192 10 0 CIAERN CC(C)CN(c1ccc([C@H](C)O)cc1Cl)C1CC1 ZINC000061696581 519719211 /nfs/dbraw/zinc/71/92/11/519719211.db2.gz CTEDTAKUZBYJKH-NSHDSACASA-N 0 0 267.800 4.018 10 0 CIAERN CC(C)[C@@H]1CCC(=O)[C@H](Cc2ccc(F)cc2F)C1 ZINC000054630227 519801851 /nfs/dbraw/zinc/80/18/51/519801851.db2.gz JEDSFIGYJSHXEP-YPMHNXCESA-N 0 0 266.331 4.149 10 0 CIAERN CCC1CCC(O)(c2ccc(OC(C)C)cc2)CC1 ZINC000055261087 519857302 /nfs/dbraw/zinc/85/73/02/519857302.db2.gz YKWNJXNBKGKKIR-UHFFFAOYSA-N 0 0 262.393 4.262 10 0 CIAERN CC(C)c1noc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000248158422 519910857 /nfs/dbraw/zinc/91/08/57/519910857.db2.gz FHACPOLQVGDWEQ-QWRGUYRKSA-N 0 0 293.798 4.258 10 0 CIAERN CCCCCC[C@H](C)Nc1c(F)cc(N)cc1F ZINC000049193877 520130469 /nfs/dbraw/zinc/13/04/69/520130469.db2.gz TYLNAGFZVJXLPU-JTQLQIEISA-N 0 0 256.340 4.318 10 0 CIAERN CCCNc1cc(C(F)F)nc2cc(F)cc(F)c21 ZINC000061629526 520133486 /nfs/dbraw/zinc/13/34/86/520133486.db2.gz FIHKNCSIEFEQOB-UHFFFAOYSA-N 0 0 272.245 4.273 10 0 CIAERN CCCNc1ccc(Cl)cc1C(=O)NC(C)(C)CC ZINC000050724469 520163404 /nfs/dbraw/zinc/16/34/04/520163404.db2.gz RQZIICVMMZVQOL-UHFFFAOYSA-N 0 0 282.815 4.080 10 0 CIAERN CCCNc1nc2c(s1)CSc1ccccc1-2 ZINC000061714422 520187262 /nfs/dbraw/zinc/18/72/62/520187262.db2.gz BPNSTUFWSDBBTI-UHFFFAOYSA-N 0 0 262.403 4.238 10 0 CIAERN CCNc1ccc(CSc2ccc(F)cc2F)cn1 ZINC000050837886 520304441 /nfs/dbraw/zinc/30/44/41/520304441.db2.gz NHDRZTYXEYSUDC-UHFFFAOYSA-N 0 0 280.343 4.084 10 0 CIAERN CCC[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127976816 520603640 /nfs/dbraw/zinc/60/36/40/520603640.db2.gz ASCFCQKVGPEDMF-OCCSQVGLSA-N 0 0 263.381 4.078 10 0 CIAERN CCC[C@@H](Nc1cccc(F)n1)c1cccs1 ZINC000049549094 520795930 /nfs/dbraw/zinc/79/59/30/520795930.db2.gz WICXJVVZKGSOAE-SNVBAGLBSA-N 0 0 250.342 4.236 10 0 CIAERN CCCC[C@@H](CC)COCc1nnsc1NCCC ZINC000050832308 521037045 /nfs/dbraw/zinc/03/70/45/521037045.db2.gz VRVITROAXIHKHW-GFCCVEGCSA-N 0 0 285.457 4.093 10 0 CIAERN CCC[C@H](Nc1cc(C)nc(Cl)n1)c1cccs1 ZINC000052814674 521179256 /nfs/dbraw/zinc/17/92/56/521179256.db2.gz VDTRAJWGVWZGLR-JTQLQIEISA-N 0 0 281.812 4.453 10 0 CIAERN CCC(=O)c1ccc(-c2ccc3ncccc3c2)o1 ZINC000054108456 521239388 /nfs/dbraw/zinc/23/93/88/521239388.db2.gz YDDKELCUFWQSDC-UHFFFAOYSA-N 0 0 251.285 4.088 10 0 CIAERN CCCCc1nc(Cl)c(CN[C@H](C)c2ccccc2)[nH]1 ZINC000088398637 521304420 /nfs/dbraw/zinc/30/44/20/521304420.db2.gz FPFABWWDWVBSMG-GFCCVEGCSA-N 0 0 291.826 4.257 10 0 CIAERN CCOc1cccc(Nc2ccc(Cl)cc2N)c1 ZINC000049564400 521402256 /nfs/dbraw/zinc/40/22/56/521402256.db2.gz YJZMDWLLCSOGCZ-UHFFFAOYSA-N 0 0 262.740 4.065 10 0 CIAERN CCOc1cccc([C@@H](O)c2cccc(Cl)c2Cl)c1 ZINC000055200908 521414134 /nfs/dbraw/zinc/41/41/34/521414134.db2.gz LMCJMTQRXHOWNY-OAHLLOKOSA-N 0 0 297.181 4.474 10 0 CIAERN CC[C@H](C)c1ccc2[nH]c(C)c(C(C)C)c(=O)c2c1 ZINC000061688206 522043904 /nfs/dbraw/zinc/04/39/04/522043904.db2.gz UFLPULBZPNLPRI-NSHDSACASA-N 0 0 257.377 4.473 10 0 CIAERN CCc1nc(N)sc1Cc1cccc2ccccc21 ZINC000050266448 522383361 /nfs/dbraw/zinc/38/33/61/522383361.db2.gz IUHUVGGQHDUQOT-UHFFFAOYSA-N 0 0 268.385 4.032 10 0 CIAERN CNc1cc(C(F)F)nc2c(C)cc(Cl)cc12 ZINC000061629722 522564124 /nfs/dbraw/zinc/56/41/24/522564124.db2.gz SQKPELVBDZOIRB-UHFFFAOYSA-N 0 0 256.683 4.176 10 0 CIAERN CNc1nc(-c2ccc(Cl)c(Cl)c2)nc(C)c1C ZINC000050865868 522674863 /nfs/dbraw/zinc/67/48/63/522674863.db2.gz SCGGJGWWUFESFU-UHFFFAOYSA-N 0 0 282.174 4.109 10 0 CIAERN CC[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000111276639 522789701 /nfs/dbraw/zinc/78/97/01/522789701.db2.gz SQIHTGHREIYGQI-MRXNPFEDSA-N 0 0 278.355 4.049 10 0 CIAERN CC[C@@H](Nc1ccc(N)cc1F)c1cccs1 ZINC000049529166 522958438 /nfs/dbraw/zinc/95/84/38/522958438.db2.gz LMARVWMEVYUUCD-LLVKDONJSA-N 0 0 250.342 4.033 10 0 CIAERN CC[C@@H](Nc1ccc2ncccc2c1)c1ccco1 ZINC000054108125 522960748 /nfs/dbraw/zinc/96/07/48/522960748.db2.gz NZSFKOUFOLMVRQ-CQSZACIVSA-N 0 0 252.317 4.391 10 0 CIAERN COc1ccc(C(=O)Cc2cccc(Cl)c2)cc1C ZINC000052944381 523594595 /nfs/dbraw/zinc/59/45/95/523594595.db2.gz FCNZRVGRCTWTEQ-UHFFFAOYSA-N 0 0 274.747 4.082 10 0 CIAERN CC[C@H](C)CN(C)c1ccc(C(C)=O)cc1Cl ZINC000061693674 523871792 /nfs/dbraw/zinc/87/17/92/523871792.db2.gz VDISNOKMZYXRPU-JTQLQIEISA-N 0 0 253.773 4.025 10 0 CIAERN CCc1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000049136502 523994638 /nfs/dbraw/zinc/99/46/38/523994638.db2.gz LFKONJGGBFMDPQ-UHFFFAOYSA-N 0 0 250.345 4.342 10 0 CIAERN CCc1ccc2c(c1)NC[C@@H](c1ccc(C)cc1)O2 ZINC000062536718 524059010 /nfs/dbraw/zinc/05/90/10/524059010.db2.gz CHFJNJVSUNVEIK-KRWDZBQOSA-N 0 0 253.345 4.103 10 0 CIAERN Cc1ccc2sc(NC(C3CC3)C3CC3)nc2c1 ZINC000049236360 524100052 /nfs/dbraw/zinc/10/00/52/524100052.db2.gz ULWKVDLRKBINTP-UHFFFAOYSA-N 0 0 258.390 4.205 10 0 CIAERN C[C@@H]1CCCC[C@H]1OCc1nc2sccc2c(Cl)n1 ZINC000050840833 524179546 /nfs/dbraw/zinc/17/95/46/524179546.db2.gz OWWKJUYBQDQHSN-MWLCHTKSSA-N 0 0 296.823 4.440 10 0 CIAERN COc1ccc(Cl)cc1[C@@](C)(O)c1cccc(Cl)c1 ZINC000055191067 524254752 /nfs/dbraw/zinc/25/47/52/524254752.db2.gz QXFXEYVVMMDZKI-HNNXBMFYSA-N 0 0 297.181 4.258 10 0 CIAERN C[C@@H]1CCC[C@@H](SCc2nc3sccc3c(N)n2)C1 ZINC000054696081 524319805 /nfs/dbraw/zinc/31/98/05/524319805.db2.gz MPBNQQLWOXNYJQ-NXEZZACHSA-N 0 0 293.461 4.085 10 0 CIAERN Cc1cc(C)cc(Oc2c(F)cc(C=O)cc2F)c1 ZINC000062708694 524454576 /nfs/dbraw/zinc/45/45/76/524454576.db2.gz UXMPAVIKHYFANK-UHFFFAOYSA-N 0 0 262.255 4.186 10 0 CIAERN Cc1cccc(Cc2nc3sccc3c(Cl)n2)c1 ZINC000050790898 524471883 /nfs/dbraw/zinc/47/18/83/524471883.db2.gz DMGBJOHRUOMASV-UHFFFAOYSA-N 0 0 274.776 4.244 10 0 CIAERN Cc1cc(C=O)ccc1N(C)Cc1ccccc1Cl ZINC000050544917 524610155 /nfs/dbraw/zinc/61/01/55/524610155.db2.gz XMYOWYDCGYWVQH-UHFFFAOYSA-N 0 0 273.763 4.097 10 0 CIAERN Cc1ccc(COc2ccc(Cl)cc2N)cc1C ZINC000049668442 524628265 /nfs/dbraw/zinc/62/82/65/524628265.db2.gz MOVKVMGUGUSRCP-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN Cc1ccc(C[C@@H](O)c2cc(Cl)ccc2F)cc1 ZINC000062142249 524666990 /nfs/dbraw/zinc/66/69/90/524666990.db2.gz ZYXDANXHFLQSKA-OAHLLOKOSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1cccc(N[C@@H](C)c2cncs2)c1Br ZINC000229132381 524695023 /nfs/dbraw/zinc/69/50/23/524695023.db2.gz MEHXPTUSLMBMIR-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN Cc1cccc(N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000042590658 524696304 /nfs/dbraw/zinc/69/63/04/524696304.db2.gz FCACRQGBLWKIDC-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN Cc1ccc(F)c([C@H](O)Cc2ccc(C)c(C)c2)c1 ZINC000061681448 524835081 /nfs/dbraw/zinc/83/50/81/524835081.db2.gz AUOODRYRTJJYFK-QGZVFWFLSA-N 0 0 258.336 4.027 10 0 CIAERN Cc1cccc2c(Cl)nc(C(F)(F)C(F)(F)F)nc12 ZINC000062772442 524937153 /nfs/dbraw/zinc/93/71/53/524937153.db2.gz ZZSDSYXAPIRHKV-UHFFFAOYSA-N 0 0 296.626 4.246 10 0 CIAERN Cc1cccc2c1O[C@H](c1ccc(Cl)cc1)CN2 ZINC000062538621 524962766 /nfs/dbraw/zinc/96/27/66/524962766.db2.gz CUPSVHGMRNEDGG-AWEZNQCLSA-N 0 0 259.736 4.194 10 0 CIAERN Cc1cc(N)ccc1N[C@@H](C)c1cccc(Cl)c1 ZINC000049515114 525038266 /nfs/dbraw/zinc/03/82/66/525038266.db2.gz PTHSVIYZSRKVAY-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1cc(N)ccc1N[C@@H](C)c1ccccc1Cl ZINC000049506550 525039839 /nfs/dbraw/zinc/03/98/39/525039839.db2.gz HPTPBSFJCWUEEB-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280630 525162669 /nfs/dbraw/zinc/16/26/69/525162669.db2.gz YBZBWARKNGTKQN-VXGBXAGGSA-N 0 0 277.339 4.148 10 0 CIAERN Cc1cc(N[C@H](C)c2cccc(Cl)c2)ccc1N ZINC000049515156 525301169 /nfs/dbraw/zinc/30/11/69/525301169.db2.gz FPAMUBZIRUBDAR-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1cc(N[C@H](c2cccs2)C(C)C)ccc1N ZINC000049555106 525303162 /nfs/dbraw/zinc/30/31/62/525303162.db2.gz LDUWCXPIUMYQRI-HNNXBMFYSA-N 0 0 260.406 4.448 10 0 CIAERN Cc1ccccc1[C@@H](O)[C@@H]1CCCc2ccccc21 ZINC000063157422 525378051 /nfs/dbraw/zinc/37/80/51/525378051.db2.gz SQBPKJGPWIQIPZ-QZTJIDSGSA-N 0 0 252.357 4.149 10 0 CIAERN CSCCCCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127757942 525396198 /nfs/dbraw/zinc/39/61/98/525396198.db2.gz BZHUTPOIFAMSEN-CQSZACIVSA-N 0 0 295.448 4.175 10 0 CIAERN Cc1cc([C@@H](C)Nc2cc(N)cc(F)c2)c(C)s1 ZINC000049506237 525476888 /nfs/dbraw/zinc/47/68/88/525476888.db2.gz XOOFQCSREHXXBZ-SECBINFHSA-N 0 0 264.369 4.259 10 0 CIAERN Cc1ccc(Oc2nc3ccc(N)cc3s2)cc1C ZINC000063104859 525478010 /nfs/dbraw/zinc/47/80/10/525478010.db2.gz XMHUNGFTJRKGKW-UHFFFAOYSA-N 0 0 270.357 4.288 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000138978070 525606929 /nfs/dbraw/zinc/60/69/29/525606929.db2.gz IUDLKRYDDWLLHX-QWHCGFSZSA-N 0 0 271.408 4.119 10 0 CIAERN C[C@H](Nc1cc(F)cc(F)c1F)c1ccc(F)cc1 ZINC000061099230 525644616 /nfs/dbraw/zinc/64/46/16/525644616.db2.gz GNFGNCLTOQIQBX-QMMMGPOBSA-N 0 0 269.241 4.416 10 0 CIAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000080319801 525649325 /nfs/dbraw/zinc/64/93/25/525649325.db2.gz FTOYPGGCVBWXGZ-QMMMGPOBSA-N 0 0 272.295 4.335 10 0 CIAERN C[C@H](Nc1ccc(Cl)cc1N)c1ccc(F)cc1 ZINC000049506077 525650677 /nfs/dbraw/zinc/65/06/77/525650677.db2.gz OGAHKGFVFIDXHA-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1ccc(N)c2ncccc12)c1ccsc1 ZINC000061361323 525652859 /nfs/dbraw/zinc/65/28/59/525652859.db2.gz KKWCTDJMEKAIHL-JTQLQIEISA-N 0 0 269.373 4.052 10 0 CIAERN C[C@H](Nc1ccc(N)cc1F)c1ccc(Cl)cc1 ZINC000049515486 525654555 /nfs/dbraw/zinc/65/45/55/525654555.db2.gz URCBYBQYXHDOTC-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1cccc(Cl)c1C(N)=S)c1ccccc1 ZINC000052903786 525668508 /nfs/dbraw/zinc/66/85/08/525668508.db2.gz NDTPFEASEHDYDF-JTQLQIEISA-N 0 0 290.819 4.147 10 0 CIAERN C[C@H](Nc1ccccn1)c1cccc(Br)c1 ZINC000037998872 525673377 /nfs/dbraw/zinc/67/33/77/525673377.db2.gz VYBYCADCXDLDJV-JTQLQIEISA-N 0 0 277.165 4.017 10 0 CIAERN C[C@@H](Nc1c(N)cccc1Cl)c1ccc(F)cc1 ZINC000049506107 525696177 /nfs/dbraw/zinc/69/61/77/525696177.db2.gz LNJKACNCLLBJAW-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1c(N)cccc1Cl)c1ccccc1F ZINC000049528885 525697552 /nfs/dbraw/zinc/69/75/52/525697552.db2.gz ONFSONXVHGBJET-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(N)cc1F)c1ccccc1Cl ZINC000049506540 525706394 /nfs/dbraw/zinc/70/63/94/525706394.db2.gz NSUXDXHBDGCQRM-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1N)c1ccccc1Cl ZINC000049506520 525706788 /nfs/dbraw/zinc/70/67/88/525706788.db2.gz ORTUZUBEALTHCX-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc([C@@H](C)N[C@H](C)c2nccs2)c(C)c1 ZINC000080266490 525746662 /nfs/dbraw/zinc/74/66/62/525746662.db2.gz LPJOSDRHJXZUJQ-CHWSQXEVSA-N 0 0 260.406 4.172 10 0 CIAERN Cc1ccsc1-c1[nH]nc(N)c1-c1ccc(C)cc1 ZINC000055332700 525811763 /nfs/dbraw/zinc/81/17/63/525811763.db2.gz BHRXEOGFBVWKDK-UHFFFAOYSA-N 0 0 269.373 4.004 10 0 CIAERN Cc1ccsc1-c1noc(N)c1-c1cccs1 ZINC000052902035 525814458 /nfs/dbraw/zinc/81/44/58/525814458.db2.gz PPNZFDAJRKSNQM-UHFFFAOYSA-N 0 0 262.359 4.022 10 0 CIAERN Cc1c(N)cccc1N[C@H]1CCCc2sccc21 ZINC000062725484 525822211 /nfs/dbraw/zinc/82/22/11/525822211.db2.gz YTJAYWZLSBTYMZ-AWEZNQCLSA-N 0 0 258.390 4.128 10 0 CIAERN C[C@@H](O)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1 ZINC000052924844 525863520 /nfs/dbraw/zinc/86/35/20/525863520.db2.gz CHYCSBWHYZVFMH-SSDOTTSWSA-N 0 0 274.213 4.158 10 0 CIAERN C[C@@H](O)c1ccc(Oc2cccc(F)c2)c(Cl)c1 ZINC000061697638 525869689 /nfs/dbraw/zinc/86/96/89/525869689.db2.gz PZQIJCRFOYGYHB-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN C[C@@H](O)c1cnc(N(C)[C@@H](C)c2cccc(Cl)c2)s1 ZINC000062028049 525881913 /nfs/dbraw/zinc/88/19/13/525881913.db2.gz SEQHFAIYBXFMHC-VHSXEESVSA-N 0 0 296.823 4.047 10 0 CIAERN C[C@H](SC1CCCC1)C(=O)c1ccc(F)cc1 ZINC000057406877 525972166 /nfs/dbraw/zinc/97/21/66/525972166.db2.gz FADHKJQOIRMUQR-JTQLQIEISA-N 0 0 252.354 4.073 10 0 CIAERN Cc1ccc([C@H]2CNc3cc(Cl)ccc3O2)cc1 ZINC000062538598 526026715 /nfs/dbraw/zinc/02/67/15/526026715.db2.gz RNILDPJBCILMDN-OAHLLOKOSA-N 0 0 259.736 4.194 10 0 CIAERN Cc1ccc2c(Nc3ccccc3C)cc(C)nc2n1 ZINC000047162317 526135393 /nfs/dbraw/zinc/13/53/93/526135393.db2.gz KNYARDCWBPVNMQ-UHFFFAOYSA-N 0 0 263.344 4.299 10 0 CIAERN C[C@H]1CC(=O)CCN1c1cc(Cl)c(Cl)cc1Cl ZINC000049712109 526209341 /nfs/dbraw/zinc/20/93/41/526209341.db2.gz WXGMGPZMYNIXEK-ZETCQYMHSA-N 0 0 292.593 4.205 10 0 CIAERN Cc1ccc2c(c1)[nH]c(=S)n2Cc1cccc(C)c1 ZINC000048266275 526214515 /nfs/dbraw/zinc/21/45/15/526214515.db2.gz ZZRICWMRWLIINW-UHFFFAOYSA-N 0 0 268.385 4.364 10 0 CIAERN Cc1ccc2c(c1)[nH]c(=S)n2CCc1ccsc1 ZINC000049184848 526215106 /nfs/dbraw/zinc/21/51/06/526215106.db2.gz KUFQEJCTKUFHOC-UHFFFAOYSA-N 0 0 274.414 4.312 10 0 CIAERN C[C@H]1CCCC[C@H]1OCc1nc2sccc2c(Cl)n1 ZINC000050840835 526263092 /nfs/dbraw/zinc/26/30/92/526263092.db2.gz OWWKJUYBQDQHSN-GXSJLCMTSA-N 0 0 296.823 4.440 10 0 CIAERN O[C@H](Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1F ZINC000061838123 526296670 /nfs/dbraw/zinc/29/66/70/526296670.db2.gz CUTJXCZLLLYADL-GFCCVEGCSA-N 0 0 286.680 4.033 10 0 CIAERN Fc1cc(Cl)ccc1CN[C@H]1CCOc2ccccc21 ZINC000157434094 526302481 /nfs/dbraw/zinc/30/24/81/526302481.db2.gz NGAXWHCPOBCLHQ-HNNXBMFYSA-N 0 0 291.753 4.093 10 0 CIAERN Fc1cc(F)c2nc(C(F)F)cc(Cl)c2c1F ZINC000061630013 526304993 /nfs/dbraw/zinc/30/49/93/526304993.db2.gz MCQXYNQQTFXKAC-UHFFFAOYSA-N 0 0 267.584 4.243 10 0 CIAERN Fc1ccc(-n2c(=S)[nH]c3ccc(F)c(F)c32)cc1 ZINC000053168765 526319546 /nfs/dbraw/zinc/31/95/46/526319546.db2.gz UVQBLJOCTNBXBZ-UHFFFAOYSA-N 0 0 280.274 4.105 10 0 CIAERN Fc1ccc(NCc2c[nH]c3ccccc23)c(F)c1 ZINC000049136533 526353879 /nfs/dbraw/zinc/35/38/79/526353879.db2.gz HZMICSOOCCLGPH-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Cc1nnc(N[C@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000226568515 526374518 /nfs/dbraw/zinc/37/45/18/526374518.db2.gz ZHNAMNZEAPTSES-ZCFIWIBFSA-N 0 0 288.203 4.326 10 0 CIAERN Fc1ccc2c(c1)[nH]c(=S)n2C(C1CC1)C1CC1 ZINC000049236276 526374840 /nfs/dbraw/zinc/37/48/40/526374840.db2.gz QBPVDEOTGFHOBM-UHFFFAOYSA-N 0 0 262.353 4.199 10 0 CIAERN O=C(c1ccc(F)cc1)C1(c2ccccc2)CCC1 ZINC000062780585 526688770 /nfs/dbraw/zinc/68/87/70/526688770.db2.gz GMQSBCNFRKIYEH-UHFFFAOYSA-N 0 0 254.304 4.130 10 0 CIAERN O=C(c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000052897613 526752741 /nfs/dbraw/zinc/75/27/41/526752741.db2.gz ZVARASMOEJHKEW-UHFFFAOYSA-N 0 0 268.209 4.076 10 0 CIAERN Clc1ccc(Cl)c(COCc2ccccc2)n1 ZINC000061639293 526954533 /nfs/dbraw/zinc/95/45/33/526954533.db2.gz MFCHEOUQDZHEDU-UHFFFAOYSA-N 0 0 268.143 4.105 10 0 CIAERN O=C1CCCCC[C@H]1c1ccccc1Br ZINC000062663603 526970285 /nfs/dbraw/zinc/97/02/85/526970285.db2.gz WLTNZVINUCENTB-NSHDSACASA-N 0 0 267.166 4.066 10 0 CIAERN Clc1cccc(Cc2nc(Cl)cc(Cl)n2)c1 ZINC000058049140 526977854 /nfs/dbraw/zinc/97/78/54/526977854.db2.gz KPKJTBTVSCVIIZ-UHFFFAOYSA-N 0 0 273.550 4.028 10 0 CIAERN Clc1nc2ccccc2c(Sc2cccs2)n1 ZINC000052811944 527006769 /nfs/dbraw/zinc/00/67/69/527006769.db2.gz MKKDZTOUWUJBNH-UHFFFAOYSA-N 0 0 278.789 4.496 10 0 CIAERN NC(=S)c1cc(Cl)ccc1Oc1cc(F)cc(F)c1 ZINC000054933088 527115405 /nfs/dbraw/zinc/11/54/05/527115405.db2.gz ABLQSOYABREUAM-UHFFFAOYSA-N 0 0 299.729 4.045 10 0 CIAERN NC(=S)c1ccc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000062795142 527120075 /nfs/dbraw/zinc/12/00/75/527120075.db2.gz MZQCLLQCWNTGRT-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN NC(=S)c1ccc(OC2CCCCCC2)c(Cl)c1 ZINC000062796456 527120253 /nfs/dbraw/zinc/12/02/53/527120253.db2.gz MFPVWLDGZLAVMO-UHFFFAOYSA-N 0 0 283.824 4.076 10 0 CIAERN NC(=S)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000061850463 527120698 /nfs/dbraw/zinc/12/06/98/527120698.db2.gz IVDVFIRNZVLZAF-UHFFFAOYSA-N 0 0 298.194 4.420 10 0 CIAERN Nc1ccc(NCc2cccc(Cl)c2)c(Cl)c1 ZINC000053148205 527495953 /nfs/dbraw/zinc/49/59/53/527495953.db2.gz HSHMCYAKSSHPGI-UHFFFAOYSA-N 0 0 267.159 4.188 10 0 CIAERN Nc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 ZINC000050843827 527535106 /nfs/dbraw/zinc/53/51/06/527535106.db2.gz SKSMRSHSNSNTOP-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Nc1onc(CC2CCCCC2)c1-c1cccs1 ZINC000052902170 527581385 /nfs/dbraw/zinc/58/13/85/527581385.db2.gz IEBDCOHIBIMMRQ-UHFFFAOYSA-N 0 0 262.378 4.108 10 0 CIAERN FC(F)(F)c1cc(NC[C@@H]2CCC=CO2)ccc1Cl ZINC000050267846 527680704 /nfs/dbraw/zinc/68/07/04/527680704.db2.gz ZLNBEPPWHKKIHA-JTQLQIEISA-N 0 0 291.700 4.463 10 0 CIAERN FC(F)Oc1cccc2c(Cl)cc(C(F)F)nc12 ZINC000061629997 527696562 /nfs/dbraw/zinc/69/65/62/527696562.db2.gz RRNIHGHBRNQKHC-UHFFFAOYSA-N 0 0 279.620 4.427 10 0 CIAERN CCCC[S@](=O)[C@@H]1[C@H]2C[C@@H]3C[C@](C)(C2)C[C@@]1(C)C3 ZINC000198319894 535077854 /nfs/dbraw/zinc/07/78/54/535077854.db2.gz DYHOTRLOOKVWKX-SVMIPSPUSA-N 0 0 268.466 4.140 10 0 CIAERN CC[C@H](C)c1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246471 570255762 /nfs/dbraw/zinc/25/57/62/570255762.db2.gz MYYQHCLNETXIRX-VIFPVBQESA-N 0 0 251.761 4.020 10 0 CIAERN CCCCc1ccc(CCc2ccc(O)c(OC)c2)o1 ZINC000013310880 560105522 /nfs/dbraw/zinc/10/55/22/560105522.db2.gz VFYKGOGEJRZWKU-UHFFFAOYSA-N 0 0 274.360 4.122 10 0 endogenous,in-man CIAERN O[C@H](CC/C=C/c1ccccc1)CCc1ccccc1 ZINC000001538309 560181992 /nfs/dbraw/zinc/18/19/92/560181992.db2.gz DPRCKWANIKZGTF-HBAHQKBISA-N 0 0 266.384 4.474 10 0 biogenic,in-vitro CIAERN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(N)=O)CCC[C@]21C ZINC000003978612 560192735 /nfs/dbraw/zinc/19/27/35/560192735.db2.gz AKKQGFKWEDCWJK-MISYRCLQSA-N 0 0 299.458 4.306 10 0 in-vitro CIAERN CCC(=O)c1ccc2c(c1)Nc1ccccc1S2 ZINC000001848502 566844783 /nfs/dbraw/zinc/84/47/83/566844783.db2.gz XPGPHJNCOZQFAU-UHFFFAOYSA-N 0 0 255.342 4.488 10 0 in-vitro CIAERN CCc1cccc2c(Cl)ncc(Br)c12 ZINC000218728762 567019754 /nfs/dbraw/zinc/01/97/54/567019754.db2.gz NJIJREYTQXBPDY-UHFFFAOYSA-N 0 0 270.557 4.213 10 0 CIAERN CCC1CCC(O)(c2cccc(Br)c2)CC1 ZINC000675059856 567022729 /nfs/dbraw/zinc/02/27/29/567022729.db2.gz WJIUDSJLPKFXJH-UHFFFAOYSA-N 0 0 283.209 4.237 10 0 CIAERN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC)c(N)c1 ZINC000226265221 567038378 /nfs/dbraw/zinc/03/83/78/567038378.db2.gz NWWDCDKNZVVFCA-GFCCVEGCSA-N 0 0 298.386 4.043 10 0 CIAERN COC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000226256312 567038891 /nfs/dbraw/zinc/03/88/91/567038891.db2.gz ZJLCHSFRSBCHDE-SOFGYWHQSA-N 0 0 276.719 4.095 10 0 CIAERN CNc1cc2nc(-c3ccc(Cl)cc3)oc2c(C)c1 ZINC000226270497 567039396 /nfs/dbraw/zinc/03/93/96/567039396.db2.gz DRESLZHJIPHVPS-UHFFFAOYSA-N 0 0 272.735 4.498 10 0 CIAERN CCNc1ccc2nc(-c3ccc(CC)cc3)oc2c1 ZINC000226284165 567040615 /nfs/dbraw/zinc/04/06/15/567040615.db2.gz KKPAIGANNJOUHH-UHFFFAOYSA-N 0 0 266.344 4.489 10 0 CIAERN Cc1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C ZINC000226275886 567040674 /nfs/dbraw/zinc/04/06/74/567040674.db2.gz FEDBZAJLQUOGHQ-HNNXBMFYSA-N 0 0 254.377 4.165 10 0 CIAERN Clc1ccc(Cl)c(-c2nc3cnccc3o2)c1 ZINC000226281483 567041478 /nfs/dbraw/zinc/04/14/78/567041478.db2.gz PCQAZZGEAWMHIW-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN CCNc1ccc(-c2nc3cc(CC)ccc3o2)cc1 ZINC000226284578 567041485 /nfs/dbraw/zinc/04/14/85/567041485.db2.gz WYVKRUBLRCCGRP-UHFFFAOYSA-N 0 0 266.344 4.489 10 0 CIAERN CCNc1cc2nc(-c3ccc(F)cc3)oc2c(C)c1 ZINC000226283523 567041547 /nfs/dbraw/zinc/04/15/47/567041547.db2.gz HXKWLYZATFXWFK-UHFFFAOYSA-N 0 0 270.307 4.374 10 0 CIAERN CC(C)(C)C(=O)Nc1c2ccccc2nc2c1CCCC2 ZINC000095115852 567128680 /nfs/dbraw/zinc/12/86/80/567128680.db2.gz WMJRHDDXDSEJJP-UHFFFAOYSA-N 0 0 282.387 4.098 10 0 CIAERN CCN(CC)c1nc(-c2ccco2)nc2ccc(C)cc21 ZINC000096289564 567141034 /nfs/dbraw/zinc/14/10/34/567141034.db2.gz QVKWOYRQSFNVPJ-UHFFFAOYSA-N 0 0 281.359 4.044 10 0 CIAERN CC1=Nc2ccccc2[C@@H](OCc2ccccc2)C1 ZINC000227148573 567155330 /nfs/dbraw/zinc/15/53/30/567155330.db2.gz XKGGEOLFUOFSMI-KRWDZBQOSA-N 0 0 251.329 4.441 10 0 CIAERN Cc1cccc(C)c1NCCNc1c(C)cccc1C ZINC000003115685 567160430 /nfs/dbraw/zinc/16/04/30/567160430.db2.gz SLNNBCPISNYCKL-UHFFFAOYSA-N 0 0 268.404 4.444 10 0 CIAERN CC(=O)C[C@@H](C)Sc1ccc(Cl)cc1Cl ZINC000322535848 567207263 /nfs/dbraw/zinc/20/72/63/567207263.db2.gz BHPGDYWKUOCBGP-MRVPVSSYSA-N 0 0 263.189 4.453 10 0 CIAERN c1ccc(-c2nc(-c3ccncc3)n3ccccc23)cc1 ZINC000000340085 567825941 /nfs/dbraw/zinc/82/59/41/567825941.db2.gz LHMNPHKPCRKDRD-UHFFFAOYSA-N 0 0 271.323 4.063 10 0 CIAERN CC(C)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000001041048 567835694 /nfs/dbraw/zinc/83/56/94/567835694.db2.gz IOPVEZQBHDNEEW-MPEURRAXSA-N 0 0 257.215 4.376 10 0 CIAERN COc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000032540611 567861013 /nfs/dbraw/zinc/86/10/13/567861013.db2.gz BNDJNKQGUVSNIN-UHFFFAOYSA-N 0 0 259.305 4.111 10 0 CIAERN Nc1ccc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000047205847 567861481 /nfs/dbraw/zinc/86/14/81/567861481.db2.gz DZSZILJBWRINQY-UHFFFAOYSA-N 0 0 255.214 4.094 10 0 CIAERN Clc1ncnc2scc(C3CCCCC3)c21 ZINC000118739271 567881619 /nfs/dbraw/zinc/88/16/19/567881619.db2.gz OVJLWGVSXVMERL-UHFFFAOYSA-N 0 0 252.770 4.392 10 0 CIAERN COc1cccc(-c2cc(C(F)(F)F)cnc2Cl)c1 ZINC000584881603 567882740 /nfs/dbraw/zinc/88/27/40/567882740.db2.gz XOAMCHTYQYMMOA-UHFFFAOYSA-N 0 0 287.668 4.429 10 0 CIAERN CCc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000070238371 567885583 /nfs/dbraw/zinc/88/55/83/567885583.db2.gz LTQWWWPBWNOTJR-UHFFFAOYSA-N 0 0 256.736 4.446 10 0 CIAERN Cc1nc(-c2ccccc2Cl)nc(Cl)c1C ZINC000037947875 567890390 /nfs/dbraw/zinc/89/03/90/567890390.db2.gz GQQWQCGGHAWKAF-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN O=Cc1ccc(-c2cccc(Br)c2F)cc1 ZINC000236130865 567892747 /nfs/dbraw/zinc/89/27/47/567892747.db2.gz HILYXZMLQDGMMF-UHFFFAOYSA-N 0 0 279.108 4.068 10 0 CIAERN Cc1cc2[nH]c(-c3cccc(F)c3)nc2cc1Cl ZINC000073638969 567893606 /nfs/dbraw/zinc/89/36/06/567893606.db2.gz UPUKVMLZJIMGBT-UHFFFAOYSA-N 0 0 260.699 4.331 10 0 CIAERN CCNc1cccc(-c2nc3ccccc3s2)c1 ZINC000075824982 567895100 /nfs/dbraw/zinc/89/51/00/567895100.db2.gz ZXSVYMFYHACDNE-UHFFFAOYSA-N 0 0 254.358 4.395 10 0 CIAERN Fc1ncc(Cl)cc1-c1cccc(Br)c1 ZINC000725241196 567907984 /nfs/dbraw/zinc/90/79/84/567907984.db2.gz AHBADKUIZKPRRP-UHFFFAOYSA-N 0 0 286.531 4.304 10 0 CIAERN CC(C)c1cc2nc(C3CC(F)(F)C3)nn2c(Cl)c1 ZINC000725245772 567908266 /nfs/dbraw/zinc/90/82/66/567908266.db2.gz GJOYGKSOHMJQAL-UHFFFAOYSA-N 0 0 285.725 4.019 10 0 CIAERN CC(C)c1cnc(CSCC[Si](C)(C)C)o1 ZINC000725246517 567908461 /nfs/dbraw/zinc/90/84/61/567908461.db2.gz XLSPYGRLSPMITM-UHFFFAOYSA-N 0 0 257.475 4.369 10 0 CIAERN CCC(C)(C)[C@H]1CCCN[C@@H](C(F)(F)F)CC1 ZINC000725255952 567915229 /nfs/dbraw/zinc/91/52/29/567915229.db2.gz LACQNDZVLNNGRL-WDEREUQCSA-N 0 0 251.336 4.133 10 0 CIAERN CC(=O)c1ccc(-c2ccc([C@H]3CCO3)cc2)cc1 ZINC000725265110 567923275 /nfs/dbraw/zinc/92/32/75/567923275.db2.gz FWKQMSJNPABQGG-QGZVFWFLSA-N 0 0 252.313 4.018 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2cccc(F)c2)n1 ZINC000725271176 567924571 /nfs/dbraw/zinc/92/45/71/567924571.db2.gz YRGCEVINBOXDCW-UHFFFAOYSA-N 0 0 254.255 4.208 10 0 CIAERN Fc1cccc(F)c1C=C(Br)Br ZINC000307393177 570227806 /nfs/dbraw/zinc/22/78/06/570227806.db2.gz LTDLINPHBRFTFP-UHFFFAOYSA-N 0 0 297.924 4.053 10 0 CIAERN C[C@@H](NC(=O)OC(C)(C)C)c1cccc2c1CCCC2 ZINC000725241949 570254496 /nfs/dbraw/zinc/25/44/96/570254496.db2.gz XMPTXOQZLXJHCT-GFCCVEGCSA-N 0 0 275.392 4.151 10 0 CIAERN Cc1cc(/C=C/C(=O)OC(C)(C)C)ccc1C(F)(F)F ZINC000725273771 570264023 /nfs/dbraw/zinc/26/40/23/570264023.db2.gz CIHFVLNOCPQHDE-SOFGYWHQSA-N 0 0 286.293 4.369 10 0 CIAERN CCc1cc(C(F)F)nc2ccc(Br)cc12 ZINC000669371967 570350663 /nfs/dbraw/zinc/35/06/63/570350663.db2.gz DBTWIJXGLKDYQG-UHFFFAOYSA-N 0 0 286.119 4.497 10 0 CIAERN Cc1sc(-c2cc(C)nc(F)c2)cc1Br ZINC000669378342 570352090 /nfs/dbraw/zinc/35/20/90/570352090.db2.gz AMXYJEUCMYOBRC-UHFFFAOYSA-N 0 0 286.169 4.329 10 0 CIAERN Nc1c(F)ccc(-c2ccc(C(F)(F)F)cc2)c1F ZINC000675056456 570364330 /nfs/dbraw/zinc/36/43/30/570364330.db2.gz KJQSWSAJKGKNNE-UHFFFAOYSA-N 0 0 273.204 4.233 10 0 CIAERN CC(C)(C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000020298875 570408310 /nfs/dbraw/zinc/40/83/10/570408310.db2.gz ZIPSQKBEEXUSGZ-UHFFFAOYSA-N 0 0 281.149 4.424 10 0 CIAERN O=C(/C=C\c1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000096505746 230385457 /nfs/dbraw/zinc/38/54/57/230385457.db2.gz SEFTVUGVDCGDJJ-FLIBITNWSA-N 0 0 289.806 4.360 10 0 CIAERN CC(C)(C)Oc1c(Br)cccc1OC1CC1 ZINC000095712859 185018773 /nfs/dbraw/zinc/01/87/73/185018773.db2.gz IPHQBEPGFHNQRR-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)c1cccc(OC2CC2)c1Br ZINC000095721074 185019245 /nfs/dbraw/zinc/01/92/45/185019245.db2.gz CCOPOZJWYWRYQG-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN Oc1cccc(Br)c1CC1CCCCC1 ZINC000095722916 185020200 /nfs/dbraw/zinc/02/02/00/185020200.db2.gz ZZAQXSWYGFCQNP-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN CC(C)c1cccc(Br)c1OC1CC1 ZINC000095727389 185021401 /nfs/dbraw/zinc/02/14/01/185021401.db2.gz YMKHYBMSKHAUSE-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN FC(F)(F)c1ccc(OC2CC2)cc1Br ZINC000095733918 185023410 /nfs/dbraw/zinc/02/34/10/185023410.db2.gz BDJVAQYOOQVQHA-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN CCc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000082509541 178076133 /nfs/dbraw/zinc/07/61/33/178076133.db2.gz INRRAHLNUCETIQ-UHFFFAOYSA-N 0 0 291.826 4.073 10 0 CIAERN CC(C)(C)c1nc(Cl)cc(NC2CCCCC2)n1 ZINC000082509728 178076822 /nfs/dbraw/zinc/07/68/22/178076822.db2.gz MCNCFOFYRMSDNA-UHFFFAOYSA-N 0 0 267.804 4.172 10 0 CIAERN Oc1ccc(CNc2cnccc2Oc2ccccc2)cc1 ZINC000095828701 185028574 /nfs/dbraw/zinc/02/85/74/185028574.db2.gz SYMHKGUVZRDEIV-UHFFFAOYSA-N 0 0 292.338 4.192 10 0 CIAERN Cc1c(Cl)cccc1Nc1ncc(N)cc1Cl ZINC000082574170 178114150 /nfs/dbraw/zinc/11/41/50/178114150.db2.gz HZKKYFGEDHKDSW-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN Cc1nc(-c2ccccc2Br)sc1C ZINC000082574190 178114342 /nfs/dbraw/zinc/11/43/42/178114342.db2.gz WCKWJLBNBBCCEN-UHFFFAOYSA-N 0 0 268.179 4.189 10 0 CIAERN Clc1cc(OCc2ccccc2)c2ccccc2n1 ZINC000095930467 185032353 /nfs/dbraw/zinc/03/23/53/185032353.db2.gz FTZCYYKIXFLTJZ-UHFFFAOYSA-N 0 0 269.731 4.467 10 0 CIAERN Cc1ccc(CNc2ncc(C)cc2Br)cc1 ZINC000082586826 178123351 /nfs/dbraw/zinc/12/33/51/178123351.db2.gz DPPQEMMFVYMDTF-UHFFFAOYSA-N 0 0 291.192 4.073 10 0 CIAERN FC1=CC(c2ccccc2)=C[C@H](F)[C@]1(F)Br ZINC000095932690 185032629 /nfs/dbraw/zinc/03/26/29/185032629.db2.gz UGNJLKZSUIIXBP-CMPLNLGQSA-N 0 0 289.094 4.336 10 0 CIAERN CCC[C@@H](O)c1ccc(SC(F)(F)F)cc1 ZINC000082677194 178165869 /nfs/dbraw/zinc/16/58/69/178165869.db2.gz LIRLBGKOOLTIKW-SNVBAGLBSA-N 0 0 250.285 4.132 10 0 CIAERN Brc1cccc2cnc(-c3ccccc3)nc12 ZINC000096028922 185066973 /nfs/dbraw/zinc/06/69/73/185066973.db2.gz YFDHYUWPGNKGAG-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN Brc1cccc2nc(-c3ccccc3)ncc12 ZINC000096028921 185067683 /nfs/dbraw/zinc/06/76/83/185067683.db2.gz SMFPTSVYYSNVGZ-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN COc1ccc(-c2ccc(CC(C)=O)cc2)cc1Cl ZINC000082709176 178219277 /nfs/dbraw/zinc/21/92/77/178219277.db2.gz VUQKBPKGSVSPOP-UHFFFAOYSA-N 0 0 274.747 4.147 10 0 CIAERN Cc1ccc2ccccc2c1[C@@H](O)c1cccs1 ZINC000083165981 178347854 /nfs/dbraw/zinc/34/78/54/178347854.db2.gz LIZWMRLUPDQPQC-INIZCTEOSA-N 0 0 254.354 4.291 10 0 CIAERN CC(C)(C)CC(=O)c1cc(Br)ccc1F ZINC000083256681 178372258 /nfs/dbraw/zinc/37/22/58/178372258.db2.gz NISKKKUFALWXSS-UHFFFAOYSA-N 0 0 273.145 4.207 10 0 CIAERN Nc1cc(C2CCCCC2)sc1Br ZINC000096949832 185139068 /nfs/dbraw/zinc/13/90/68/185139068.db2.gz OTSPAFWEJSBDFL-UHFFFAOYSA-N 0 0 260.200 4.141 10 0 CIAERN COc1ccccc1CNc1cc(F)ccc1Cl ZINC000083482906 178508238 /nfs/dbraw/zinc/50/82/38/178508238.db2.gz WGRKAQZXTXAJTG-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN COc1ccc(CNc2cccc(Cl)c2)c(F)c1 ZINC000083482824 178508378 /nfs/dbraw/zinc/50/83/78/178508378.db2.gz KPMJEAXTTXXKDH-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN CCc1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000002573995 169812139 /nfs/dbraw/zinc/81/21/39/169812139.db2.gz ILUYTTQELSQWNA-UHFFFAOYSA-N 0 0 250.297 4.022 10 0 in-vivo CIAERN Cc1ccc([C@H](C)NC(=O)c2cccc3c(C)c(C)[nH]c32)o1 ZINC000097166387 185553779 /nfs/dbraw/zinc/55/37/79/185553779.db2.gz IVYGMTBJHCLOAH-ZDUSSCGKSA-N 0 0 296.370 4.177 10 0 CIAERN CC(C)[C@H]1CN(Cc2ccccc2)c2ccccc2N1 ZINC000076930605 136502741 /nfs/dbraw/zinc/50/27/41/136502741.db2.gz PFHDUPZOEGIELL-QGZVFWFLSA-N 0 0 266.388 4.143 10 0 CIAERN CCC1(CC)CCN(c2ccc(C=O)c(C)c2)CC1 ZINC000104177355 136525926 /nfs/dbraw/zinc/52/59/26/136525926.db2.gz PGZXMNLXOZVADY-UHFFFAOYSA-N 0 0 259.393 4.214 10 0 CIAERN CC(C)(C)[C@H]1CCC(=O)[C@@H](CC(=O)c2ccc(F)cc2)C1 ZINC000085347821 179029137 /nfs/dbraw/zinc/02/91/37/179029137.db2.gz SWYIVPYMTHOHRT-KGLIPLIRSA-N 0 0 290.378 4.430 10 0 CIAERN Cc1cc2c(ncnc2Cl)n1Cc1ccc(Cl)cc1 ZINC000098180900 185699115 /nfs/dbraw/zinc/69/91/15/185699115.db2.gz VEBKEMRMRPUOKZ-UHFFFAOYSA-N 0 0 292.169 4.095 10 0 CIAERN CN(C)c1ccc(-c2cccc(CO)c2)c2ccccc21 ZINC000085664543 179110463 /nfs/dbraw/zinc/11/04/63/179110463.db2.gz OYKTVOIDACLOMZ-UHFFFAOYSA-N 0 0 277.367 4.065 10 0 CIAERN Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1N ZINC000100641037 185721855 /nfs/dbraw/zinc/72/18/55/185721855.db2.gz QUJYYZJDJJLWHO-UHFFFAOYSA-N 0 0 283.350 4.314 10 0 CIAERN CN[C@H](c1ccc(F)cc1F)c1ccc(Cl)cc1F ZINC000102091886 185770280 /nfs/dbraw/zinc/77/02/80/185770280.db2.gz LBVSLZJIXJFKNG-AWEZNQCLSA-N 0 0 285.696 4.066 10 0 CIAERN Cc1sc(N)c(-c2nc3cccc(Cl)c3n2C)c1C ZINC000102940379 185799762 /nfs/dbraw/zinc/79/97/62/185799762.db2.gz FOTWABRXZUVDJI-UHFFFAOYSA-N 0 0 291.807 4.154 10 0 CIAERN CCCn1c(-c2ccsc2N)nc2cccc(Cl)c21 ZINC000102940620 185799973 /nfs/dbraw/zinc/79/99/73/185799973.db2.gz AMGDZXKMYCHPQW-UHFFFAOYSA-N 0 0 291.807 4.410 10 0 CIAERN CCOC(=O)c1ccc(OCc2ccc(C)c(C)c2)cc1 ZINC000086577016 179308746 /nfs/dbraw/zinc/30/87/46/179308746.db2.gz FTRYAFXSTGVVPP-UHFFFAOYSA-N 0 0 284.355 4.059 10 0 CIAERN CCCCN(c1cccc(F)c1[C@H](C)O)[C@H](C)CC ZINC000103924066 185862179 /nfs/dbraw/zinc/86/21/79/185862179.db2.gz DVGBCDMMCMEEJA-OLZOCXBDSA-N 0 0 267.388 4.284 10 0 CIAERN Clc1ccccc1C[C@@H]1CCc2ccccc2N1 ZINC000086668705 179317101 /nfs/dbraw/zinc/31/71/01/179317101.db2.gz JALXRIDNLDQZDD-AWEZNQCLSA-N 0 0 257.764 4.309 10 0 CIAERN COc1cc(F)cc2c(Cl)cc(C(C)(C)C)nc12 ZINC000103951141 185867254 /nfs/dbraw/zinc/86/72/54/185867254.db2.gz VXRDQTUJFGJWLE-UHFFFAOYSA-N 0 0 267.731 4.333 10 0 CIAERN CCC1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000103952910 185867633 /nfs/dbraw/zinc/86/76/33/185867633.db2.gz RBAREIGUGUUSTR-UHFFFAOYSA-N 0 0 272.310 4.493 10 0 CIAERN Nc1ccc2nc(Nc3cc(Cl)ccc3F)sc2c1 ZINC000103944332 185865575 /nfs/dbraw/zinc/86/55/75/185865575.db2.gz RFAQNJKTTDEWCQ-UHFFFAOYSA-N 0 0 293.754 4.415 10 0 CIAERN Cc1cc(C)cc(C[C@@]2(O)C[C@H](C)CC(C)(C)C2)c1 ZINC000103944416 185865749 /nfs/dbraw/zinc/86/57/49/185865749.db2.gz QQGVOOJEVPVTDW-QAPCUYQASA-N 0 0 260.421 4.423 10 0 CIAERN CC1(C)Cc2c(ccn2-c2ccccc2Cl)[C@@H](O)C1 ZINC000103975780 185872791 /nfs/dbraw/zinc/87/27/91/185872791.db2.gz JLYCKSAVAVKONP-HNNXBMFYSA-N 0 0 275.779 4.137 10 0 CIAERN CCCCCC[C@@H](C)O[C@@H]1CCCCCC[C@@H]1O ZINC000103981398 185873916 /nfs/dbraw/zinc/87/39/16/185873916.db2.gz PYURSJBUZQYNTL-OWCLPIDISA-N 0 0 256.430 4.446 10 0 CIAERN Cc1ccc(N(C)c2ccc(Br)cn2)c(C)c1 ZINC000103985807 185875861 /nfs/dbraw/zinc/87/58/61/185875861.db2.gz MNNPXZOMIOFSAK-UHFFFAOYSA-N 0 0 291.192 4.229 10 0 CIAERN CCNc1cc(C(F)(F)F)nc2c(F)c(Cl)ccc12 ZINC000103993723 185876854 /nfs/dbraw/zinc/87/68/54/185876854.db2.gz KCOYSFMUKQUAAK-UHFFFAOYSA-N 0 0 292.663 4.478 10 0 CIAERN Cc1cc(OCCNc2cccc(F)c2)ccc1Cl ZINC000103998320 185877797 /nfs/dbraw/zinc/87/77/97/185877797.db2.gz LCROEDOTEHOEBS-UHFFFAOYSA-N 0 0 279.742 4.278 10 0 CIAERN COC(=O)c1cc(Cl)ccc1N[C@H](C)C1CCCC1 ZINC000104039161 185885694 /nfs/dbraw/zinc/88/56/94/185885694.db2.gz TXBCCVGCYBCORO-SNVBAGLBSA-N 0 0 281.783 4.117 10 0 CIAERN C[C@@H](CCc1ccccc1)Nc1cccc(Cl)n1 ZINC000104105659 185896679 /nfs/dbraw/zinc/89/66/79/185896679.db2.gz AXSCSGVWWVIZOY-LBPRGKRZSA-N 0 0 260.768 4.168 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1cc(OC(C)C)c(F)cc1N ZINC000104134045 185903402 /nfs/dbraw/zinc/90/34/02/185903402.db2.gz GZHOPYWTQBLWHF-GHMZBOCLSA-N 0 0 268.376 4.042 10 0 CIAERN Clc1ccc(-c2nc(Cl)cc(C3CC3)n2)cc1 ZINC000104156703 185913817 /nfs/dbraw/zinc/91/38/17/185913817.db2.gz JPRAYLZGPUKNOO-UHFFFAOYSA-N 0 0 265.143 4.328 10 0 CIAERN CCC1CCC(CNc2cc(Cl)nc(C)n2)CC1 ZINC000104161204 185914771 /nfs/dbraw/zinc/91/47/71/185914771.db2.gz NTIAWGGXHAUPNC-UHFFFAOYSA-N 0 0 267.804 4.067 10 0 CIAERN CCCNc1nc2c(ccc(F)c2F)cc1C(C)C ZINC000104174458 185917000 /nfs/dbraw/zinc/91/70/00/185917000.db2.gz KTTKPGKAEKKQIP-UHFFFAOYSA-N 0 0 264.319 4.458 10 0 CIAERN CCOC(=O)[C@](C)(CC(C)C)Nc1cccc(Cl)c1 ZINC000104173361 185916580 /nfs/dbraw/zinc/91/65/80/185916580.db2.gz JXOKSJARDMSQBX-HNNXBMFYSA-N 0 0 283.799 4.120 10 0 CIAERN Cc1cc(C)cc(COc2c(C)cc(N)cc2C)c1 ZINC000104187789 185920282 /nfs/dbraw/zinc/92/02/82/185920282.db2.gz YHHWSCLYTMCEEN-UHFFFAOYSA-N 0 0 255.361 4.081 10 0 CIAERN CCNc1nc2c(Br)cc(C)cc2cc1CC ZINC000104178256 185917512 /nfs/dbraw/zinc/91/75/12/185917512.db2.gz DOPNJRAEZOEJEF-UHFFFAOYSA-N 0 0 293.208 4.300 10 0 CIAERN Cc1nc(Cl)c(C)c(Sc2ccc(F)c(F)c2)n1 ZINC000104212545 185932575 /nfs/dbraw/zinc/93/25/75/185932575.db2.gz DDXRIDJZNKSUGK-UHFFFAOYSA-N 0 0 286.734 4.176 10 0 CIAERN COc1cc(Sc2ccc(C)cc2C)ccc1N ZINC000104234207 185938699 /nfs/dbraw/zinc/93/86/99/185938699.db2.gz CCXPMBKUVUQCLC-UHFFFAOYSA-N 0 0 259.374 4.045 10 0 CIAERN CCCc1c(Cl)ncnc1N[C@H](C)C1CCCCC1 ZINC000104228039 185936742 /nfs/dbraw/zinc/93/67/42/185936742.db2.gz LKCNMQDXBLYUOP-LLVKDONJSA-N 0 0 281.831 4.463 10 0 CIAERN C[C@@H](O)c1ccc(Sc2ccc(F)cc2F)cc1 ZINC000104293562 185957617 /nfs/dbraw/zinc/95/76/17/185957617.db2.gz GDMRCOPSMLNPJD-SECBINFHSA-N 0 0 266.312 4.169 10 0 CIAERN Nc1cccc(Cl)c1COc1cccc(Cl)c1 ZINC000104314594 185965245 /nfs/dbraw/zinc/96/52/45/185965245.db2.gz CICKCEBMKDRBNK-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN CCOC(CCSCc1ccccc1C)OCC ZINC000104347351 185977903 /nfs/dbraw/zinc/97/79/03/185977903.db2.gz FQGSJVZBHYGTNJ-UHFFFAOYSA-N 0 0 268.422 4.017 10 0 CIAERN CC[C@H]1CCCC[C@@H]1C(=O)Cc1ccc(OC)cc1 ZINC000104387953 185989612 /nfs/dbraw/zinc/98/96/12/185989612.db2.gz PPOKVWBYVNCSBE-HOCLYGCPSA-N 0 0 260.377 4.023 10 0 CIAERN Cc1sc(-c2ccncc2)c(C)c1Br ZINC000090411965 179982615 /nfs/dbraw/zinc/98/26/15/179982615.db2.gz YDRGCHVEFZFAPI-UHFFFAOYSA-N 0 0 268.179 4.189 10 0 CIAERN CCOc1ccc(C)cc1[C@@H](O)C[C@@H](C)C(C)(C)C ZINC000104434216 186000550 /nfs/dbraw/zinc/00/05/50/186000550.db2.gz JTZPCLNAMAINTG-HIFRSBDPSA-N 0 0 264.409 4.499 10 0 CIAERN COc1ccc(-c2cc(Cl)c3cccnc3c2O)cc1 ZINC000090547410 180001071 /nfs/dbraw/zinc/00/10/71/180001071.db2.gz SXCFPGHFBSNBLA-UHFFFAOYSA-N 0 0 285.730 4.269 10 0 CIAERN COc1ccc2nc(Cl)c(Cc3ccccc3)cc2c1 ZINC000090548345 180001767 /nfs/dbraw/zinc/00/17/67/180001767.db2.gz VKROLEQJNDAHLE-UHFFFAOYSA-N 0 0 283.758 4.488 10 0 CIAERN Oc1c(-c2cccc(F)c2)cc(Cl)c2cccnc12 ZINC000090558571 180005014 /nfs/dbraw/zinc/00/50/14/180005014.db2.gz PODAREXRYCRCMB-UHFFFAOYSA-N 0 0 273.694 4.400 10 0 CIAERN NC(=O)c1cccc2ccc(-c3ccc4ccccc4c3)nc21 ZINC000090585699 180009404 /nfs/dbraw/zinc/00/94/04/180009404.db2.gz VEERRRODJHYYGW-UHFFFAOYSA-N 0 0 298.345 4.154 10 0 CIAERN Nc1cccc(-c2c[nH]c(CCC3CCCCC3)n2)c1 ZINC000090600418 180011013 /nfs/dbraw/zinc/01/10/13/180011013.db2.gz ABXFXTIGLUWQNU-UHFFFAOYSA-N 0 0 269.392 4.172 10 0 CIAERN c1cc(CO[C@@H]2CCCCO2)oc1CCc1ccccc1 ZINC000090754995 180036527 /nfs/dbraw/zinc/03/65/27/180036527.db2.gz FHGZOWJAWYSNTR-GOSISDBHSA-N 0 0 286.371 4.108 10 0 CIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CSC(F)(F)F ZINC000091252853 180114918 /nfs/dbraw/zinc/11/49/18/180114918.db2.gz FKMNWXAEEYISIP-VIFPVBQESA-N 0 0 299.358 4.029 10 0 CIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CSC(F)(F)F ZINC000091252852 180114671 /nfs/dbraw/zinc/11/46/71/180114671.db2.gz FKMNWXAEEYISIP-SECBINFHSA-N 0 0 299.358 4.029 10 0 CIAERN Fc1ccc(CSc2cc(Cl)ccn2)cc1 ZINC000091362114 180141534 /nfs/dbraw/zinc/14/15/34/180141534.db2.gz FBAKZTKDUAYNSX-UHFFFAOYSA-N 0 0 253.729 4.166 10 0 CIAERN FC(F)(F)c1ccccc1COc1cc(Cl)ccn1 ZINC000091361995 180141818 /nfs/dbraw/zinc/14/18/18/180141818.db2.gz AEKQQFNPDJFCKR-UHFFFAOYSA-N 0 0 287.668 4.333 10 0 CIAERN Cc1ccccc1[C@H](O)c1ccc2c3c(cccc31)CC2 ZINC000158857590 188396894 /nfs/dbraw/zinc/39/68/94/188396894.db2.gz DCBGGHYULIKGBR-FQEVSTJZSA-N 0 0 274.363 4.329 10 0 CIAERN Cc1ccc(C(=O)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000169333185 188659360 /nfs/dbraw/zinc/65/93/60/188659360.db2.gz OHIYQWUWVKENMH-IBGZPJMESA-N 0 0 287.362 4.405 10 0 CIAERN CC(C)(C)OC(=O)N1c2ccccc2[C@H]2CCC[C@@H]21 ZINC000299890336 200882278 /nfs/dbraw/zinc/88/22/78/200882278.db2.gz XXICORHGQPHNRZ-OCCSQVGLSA-N 0 0 259.349 4.078 10 0 CIAERN O=C(c1cccs1)c1sc(Cl)nc1C(F)(F)F ZINC000217010802 189707991 /nfs/dbraw/zinc/70/79/91/189707991.db2.gz YBTNYWWVIAKHKJ-UHFFFAOYSA-N 0 0 297.710 4.108 10 0 CIAERN Cc1cc([C@H](O)c2c(C)ccc3ccccc32)ccc1N ZINC000226294604 189771922 /nfs/dbraw/zinc/77/19/22/189771922.db2.gz BTFFIWCRXYBJNG-IBGZPJMESA-N 0 0 277.367 4.121 10 0 CIAERN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C\c1cccc(Cl)c1 ZINC000228807982 189795337 /nfs/dbraw/zinc/79/53/37/189795337.db2.gz JSESHOCXIREMQL-CYZFJHGLSA-N 0 0 277.795 4.143 10 0 CIAERN COc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000230297915 189808808 /nfs/dbraw/zinc/80/88/08/189808808.db2.gz AEYJBZVCFPQPKZ-BMGDILEWSA-N 0 0 299.345 4.079 10 0 CIAERN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]34C)[C@H]1CCC2=O ZINC000004533912 581091117 /nfs/dbraw/zinc/09/11/17/581091117.db2.gz RAJWOBJTTGJROA-ZPVXQFEESA-N 0 0 288.431 4.167 10 0 CIAERN Cc1cnc(-c2cccc(-c3cc(C)c(C)cn3)n2)cc1C ZINC000238809413 189900949 /nfs/dbraw/zinc/90/09/49/189900949.db2.gz SAPKZYAMNRWAPM-UHFFFAOYSA-N 0 0 289.382 4.439 10 0 CIAERN CC(=O)c1cc2cc(C(F)(F)F)ccc2nc1Cl ZINC000261507012 190039821 /nfs/dbraw/zinc/03/98/21/190039821.db2.gz DLJFGUJTHLFEQY-UHFFFAOYSA-N 0 0 273.641 4.110 10 0 CIAERN Fc1ccc(-c2c3ncccc3[nH]c2-c2ccncc2)cc1 ZINC000000023731 169507553 /nfs/dbraw/zinc/50/75/53/169507553.db2.gz DPGNJQAIOXNWEY-UHFFFAOYSA-N 0 0 289.313 4.431 10 0 CIAERN CC(C)CC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000005632797 184532531 /nfs/dbraw/zinc/53/25/31/184532531.db2.gz PWFXMFRLMXCEQI-UHFFFAOYSA-N 0 0 287.384 4.229 10 0 CIAERN CCC(=O)Nc1ccc(-c2ccc(NC(=O)CC)cc2)cc1 ZINC000000493161 169655631 /nfs/dbraw/zinc/65/56/31/169655631.db2.gz NFHKRZPTGMBURU-UHFFFAOYSA-N 0 0 296.370 4.051 10 0 CIAERN C[C@H](NC(=O)/C(Cl)=C/c1ccccc1)c1ccccc1 ZINC000000492144 169655665 /nfs/dbraw/zinc/65/56/65/169655665.db2.gz FKFBVXCZWWSYGE-WIOAZZGGSA-N 0 0 285.774 4.144 10 0 CIAERN C[C@@H](NC(=O)CCC1CCC1)c1ccc(Cl)s1 ZINC000093051610 262215432 /nfs/dbraw/zinc/21/54/32/262215432.db2.gz LRPWIKBQVCUGCR-SECBINFHSA-N 0 0 271.813 4.159 10 0 CIAERN Nc1nc(-c2ccc3c(c2)oc2ccccc23)cs1 ZINC000226294184 256785261 /nfs/dbraw/zinc/78/52/61/256785261.db2.gz XJKLLYJUUQNEQK-UHFFFAOYSA-N 0 0 266.325 4.292 10 0 CIAERN Nc1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000226293546 256785408 /nfs/dbraw/zinc/78/54/08/256785408.db2.gz LRVOBFMBKAQLAX-LJQANCHMSA-N 0 0 275.351 4.018 10 0 CIAERN C[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1cccs1 ZINC000171388979 335064227 /nfs/dbraw/zinc/06/42/27/335064227.db2.gz APOUUOFSQYDYTH-SNVBAGLBSA-N 0 0 285.372 4.112 10 0 CIAERN CCCN(C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)C1CC1 ZINC000171432306 335065628 /nfs/dbraw/zinc/06/56/28/335065628.db2.gz BOLHYMKWELXJLD-SNVBAGLBSA-N 0 0 298.789 4.124 10 0 CIAERN CC(=O)c1ccc2c(c1)N(C)c1ccccc1S2 ZINC000000481481 134528227 /nfs/dbraw/zinc/52/82/27/134528227.db2.gz DGQXIDAJSBKRMJ-UHFFFAOYSA-N 0 0 255.342 4.122 10 0 CIAERN Cc1ccc(C)c(NC(=S)N2CCCc3ccccc32)c1 ZINC000013839214 134691291 /nfs/dbraw/zinc/69/12/91/134691291.db2.gz BHRMVPZBEDYEGZ-UHFFFAOYSA-N 0 0 296.439 4.453 10 0 CIAERN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1C ZINC000003155659 169861493 /nfs/dbraw/zinc/86/14/93/169861493.db2.gz VULVEVMYDUKUOE-SJORKVTESA-N 0 0 265.356 4.046 10 0 CIAERN C1=C(c2ccc(-c3ccccc3)cc2)SC2=NCCN12 ZINC000003256225 169872535 /nfs/dbraw/zinc/87/25/35/169872535.db2.gz PRAINSWTJUJHAV-UHFFFAOYSA-N 0 0 278.380 4.070 10 0 CIAERN CC(C)c1ccc([C@H](C)NC(=O)c2ccc(F)cc2)cc1 ZINC000003563891 169897481 /nfs/dbraw/zinc/89/74/81/169897481.db2.gz OPTZIVLFRSSLGW-ZDUSSCGKSA-N 0 0 285.362 4.440 10 0 CIAERN CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2F)cc1 ZINC000003563893 169897731 /nfs/dbraw/zinc/89/77/31/169897731.db2.gz CSTSUIFGCNBZST-CYBMUJFWSA-N 0 0 285.362 4.440 10 0 CIAERN CCCCNc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000004188950 169942673 /nfs/dbraw/zinc/94/26/73/169942673.db2.gz BLDLTGASMFKACG-UHFFFAOYSA-N 0 0 292.404 4.039 10 0 CIAERN Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)cc1 ZINC000004201727 169943279 /nfs/dbraw/zinc/94/32/79/169943279.db2.gz RPARNPTYZNPMRU-UHFFFAOYSA-N 0 0 290.318 4.180 10 0 CIAERN Fc1ccc(F)c(-c2nnc(Cl)c3ccccc32)c1 ZINC000004205965 169944260 /nfs/dbraw/zinc/94/42/60/169944260.db2.gz APBSQDUZXSGGEO-UHFFFAOYSA-N 0 0 276.673 4.228 10 0 CIAERN CC(=O)O[C@@H]1OC=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]21 ZINC000005166731 170073008 /nfs/dbraw/zinc/07/30/08/170073008.db2.gz VTWFKCAENOAYPA-IVSAIRAKSA-N 0 0 278.392 4.032 10 0 CIAERN CCCC[C@@H](c1ccc(NC)cc1)n1nnc2ccccc21 ZINC000005309740 170084729 /nfs/dbraw/zinc/08/47/29/170084729.db2.gz LYTIFPMBROKOSW-KRWDZBQOSA-N 0 0 294.402 4.253 10 0 CIAERN CCC1(C)N=C(c2ccccc2)C(c2ccccc2)=N1 ZINC000005307846 170084787 /nfs/dbraw/zinc/08/47/87/170084787.db2.gz IZOYRLOAMCYLGB-UHFFFAOYSA-N 0 0 262.356 4.105 10 0 CIAERN CCCC[C@@H](C(=O)c1ccccc1)n1nnc2ccccc21 ZINC000005309581 170084981 /nfs/dbraw/zinc/08/49/81/170084981.db2.gz HDPIKYYMHMIOKL-KRWDZBQOSA-N 0 0 293.370 4.046 10 0 CIAERN Cc1ccc(C)c(NC(=S)Nc2ccc(N(C)C)cc2)c1 ZINC000005330669 170086382 /nfs/dbraw/zinc/08/63/82/170086382.db2.gz GCAIQFIWKRHGDN-UHFFFAOYSA-N 0 0 299.443 4.178 10 0 CIAERN CCOC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000005333314 170086623 /nfs/dbraw/zinc/08/66/23/170086623.db2.gz WKSYCGROFUCSHR-UHFFFAOYSA-N 0 0 293.322 4.185 10 0 CIAERN CCO[C@@H]1CC[C@@H]2C=C(C)C=C(C(C)(C)C)[C@@H]2O1 ZINC000005334981 170087035 /nfs/dbraw/zinc/08/70/35/170087035.db2.gz SWVDWPZEYLZLIY-VHDGCEQUSA-N 0 0 250.382 4.077 10 0 CIAERN C[C@H](O)CC1c2ccccc2C=Cc2ccccc21 ZINC000005368210 170089492 /nfs/dbraw/zinc/08/94/92/170089492.db2.gz ZILUGPYFSFCPPG-ZDUSSCGKSA-N 0 0 250.341 4.073 10 0 CIAERN Cc1ccccc1-c1ccc(SCc2ccncc2)nn1 ZINC000005381045 170092081 /nfs/dbraw/zinc/09/20/81/170092081.db2.gz BNLFXDATPTYHCP-UHFFFAOYSA-N 0 0 293.395 4.139 10 0 CIAERN Cc1cc(C)cc(OC(=O)c2cc3ccccc3o2)c1 ZINC000005539276 170110722 /nfs/dbraw/zinc/11/07/22/170110722.db2.gz CSGXTDLJGHAUDK-UHFFFAOYSA-N 0 0 266.296 4.269 10 0 CIAERN CCOc1ccc(/C=C/C(=O)Oc2cccc(C)c2)cc1 ZINC000005713171 170132397 /nfs/dbraw/zinc/13/23/97/170132397.db2.gz SQSAHUUNXVKMFY-FMIVXFBMSA-N 0 0 282.339 4.013 10 0 CIAERN COc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000005728338 170134012 /nfs/dbraw/zinc/13/40/12/170134012.db2.gz RMNFREBKIWMUCJ-UHFFFAOYSA-N 0 0 293.153 4.317 10 0 CIAERN FC(F)(F)Oc1ccc2nc(C(F)(F)F)ccc2c1 ZINC000005740867 170135793 /nfs/dbraw/zinc/13/57/93/170135793.db2.gz DKPXMMZDYABQHT-UHFFFAOYSA-N 0 0 281.155 4.152 10 0 CIAERN Cc1cc(C)cc(NC(=O)COc2c(C)ccc(C)c2C)c1 ZINC000005750632 170137017 /nfs/dbraw/zinc/13/70/17/170137017.db2.gz DDXURIZJABOWAB-UHFFFAOYSA-N 0 0 297.398 4.246 10 0 CIAERN O=C(Oc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000005756936 170137620 /nfs/dbraw/zinc/13/76/20/170137620.db2.gz FORQJPGZFJPPMV-UHFFFAOYSA-N 0 0 267.111 4.213 10 0 CIAERN CCC(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000005781216 170139860 /nfs/dbraw/zinc/13/98/60/170139860.db2.gz BHFLFCBDGYNXQE-MRXNPFEDSA-N 0 0 274.747 4.383 10 0 CIAERN CCCCc1cc(OC)c2sccc2c1OC(C)=O ZINC000005831915 170144839 /nfs/dbraw/zinc/14/48/39/170144839.db2.gz KPMYSJJCKCOKSR-UHFFFAOYSA-N 0 0 278.373 4.178 10 0 CIAERN CC(C)c1ccc(/C=C\C(=O)NCc2ccccc2)cc1 ZINC000005860219 170147756 /nfs/dbraw/zinc/14/77/56/170147756.db2.gz BHHVFTALASQPHH-RAXLEYEMSA-N 0 0 279.383 4.140 10 0 CIAERN Cc1sc(N)c(C(=O)OC(C)C)c1-c1ccc(C)cc1 ZINC000005942500 170159675 /nfs/dbraw/zinc/15/96/75/170159675.db2.gz NGBKSPJCSDPXNN-UHFFFAOYSA-N 0 0 289.400 4.179 10 0 CIAERN CCC(=O)c1ccc(OC(=O)c2c(C)cc(C)cc2C)cc1 ZINC000005950836 170160926 /nfs/dbraw/zinc/16/09/26/170160926.db2.gz CWWWZOTVWGSGRV-UHFFFAOYSA-N 0 0 296.366 4.424 10 0 CIAERN CCCCCONC(=O)Nc1cccc2ccccc21 ZINC000005951343 170160956 /nfs/dbraw/zinc/16/09/56/170160956.db2.gz UFXGSURKHXXBGI-UHFFFAOYSA-N 0 0 272.348 4.083 10 0 CIAERN CSC1=CC[C@@H](CC2=C(C(F)(F)F)N=NC2=O)C=C1 ZINC000006019677 170169191 /nfs/dbraw/zinc/16/91/91/170169191.db2.gz WZECYRMGVFUIDO-ZETCQYMHSA-N 0 0 288.294 4.008 10 0 CIAERN FC(F)(F)c1cc(Cl)nc(-c2cccs2)c1 ZINC000006093637 170175811 /nfs/dbraw/zinc/17/58/11/170175811.db2.gz ASAWDXVKUYXNON-UHFFFAOYSA-N 0 0 263.671 4.482 10 0 CIAERN Cc1ccc(/C=C\C(=O)Nc2cccc(C)c2C)cc1 ZINC000006131230 170178775 /nfs/dbraw/zinc/17/87/75/170178775.db2.gz CEMBNEKARPPDNC-QXMHVHEDSA-N 0 0 265.356 4.264 10 0 CIAERN O=C(CCC1CCCCC1)Nc1nc2c(s1)CCCC2 ZINC000006303240 170189335 /nfs/dbraw/zinc/18/93/35/170189335.db2.gz ZNHGUKAPFZQCSD-UHFFFAOYSA-N 0 0 292.448 4.321 10 0 CIAERN COc1cccc2cc(C(=O)c3ccc(Cl)cc3)oc21 ZINC000006298261 170189350 /nfs/dbraw/zinc/18/93/50/170189350.db2.gz QPPXFJOXEQTFQZ-UHFFFAOYSA-N 0 0 286.714 4.326 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000006301925 170189366 /nfs/dbraw/zinc/18/93/66/170189366.db2.gz SYQVJNLYJLKIBI-VAWYXSNFSA-N 0 0 271.747 4.382 10 0 CIAERN CC(C)c1ccc(Cn2c3ccccc3[nH]c2=S)cc1 ZINC000006307477 170189771 /nfs/dbraw/zinc/18/97/71/170189771.db2.gz JOQJJVAVZBOTFJ-UHFFFAOYSA-N 0 0 282.412 4.497 10 0 CIAERN CCC[C@]1(CC)OC(=O)Nc2ccc(Cl)cc21 ZINC000006381430 170196882 /nfs/dbraw/zinc/19/68/82/170196882.db2.gz WNLMKHMJDVKHSL-ZDUSSCGKSA-N 0 0 253.729 4.308 10 0 CIAERN CCc1ccccc1NC(=O)/C(C)=C/c1ccccc1 ZINC000006419352 170199967 /nfs/dbraw/zinc/19/99/67/170199967.db2.gz RZMMPTXQGXJCKM-BUHFOSPRSA-N 0 0 265.356 4.291 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1cc(C)ccc1C ZINC000006478273 170204113 /nfs/dbraw/zinc/20/41/13/170204113.db2.gz ZCJGVDIPXODOIY-NTCAYCPXSA-N 0 0 265.356 4.345 10 0 CIAERN CCCCn1c2ccccc2nc1NCc1ccccc1 ZINC000006856774 170250264 /nfs/dbraw/zinc/25/02/64/170250264.db2.gz XTIWVKZGZGSGBV-UHFFFAOYSA-N 0 0 279.387 4.449 10 0 CIAERN C=Cc1ccc(CSc2nc3ncccc3o2)cc1 ZINC000006915452 170255091 /nfs/dbraw/zinc/25/50/91/170255091.db2.gz AVAVLYASJCWZNK-UHFFFAOYSA-N 0 0 268.341 4.158 10 0 CIAERN OCc1ccc(F)cc1Sc1ccc(Cl)cc1 ZINC000006926455 170255958 /nfs/dbraw/zinc/25/59/58/170255958.db2.gz RXWNMXMLMDSSNF-UHFFFAOYSA-N 0 0 268.740 4.123 10 0 CIAERN CCCc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000007047140 170263937 /nfs/dbraw/zinc/26/39/37/170263937.db2.gz ZSKMTCUGIVHFGY-UHFFFAOYSA-N 0 0 296.395 4.001 10 0 CIAERN Cc1cccc(NC(=S)Nc2ccc(C)c(Cl)c2)n1 ZINC000007143446 170269010 /nfs/dbraw/zinc/26/90/10/170269010.db2.gz BUBGNQJCJDYCRD-UHFFFAOYSA-N 0 0 291.807 4.161 10 0 CIAERN CC(C)(C)c1ccc(NC(=S)NCc2ccco2)cc1 ZINC000007523221 170288745 /nfs/dbraw/zinc/28/87/45/170288745.db2.gz HJMZTHCIKYZDBA-UHFFFAOYSA-N 0 0 288.416 4.064 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1C ZINC000007609810 170293810 /nfs/dbraw/zinc/29/38/10/170293810.db2.gz PMLXJNBAORLFQY-OUKQBFOZSA-N 0 0 281.355 4.046 10 0 CIAERN CC(C)Nc1nc(-c2ccccc2Br)cs1 ZINC000007763161 170301290 /nfs/dbraw/zinc/30/12/90/170301290.db2.gz BYNQOIWBWNNIGJ-UHFFFAOYSA-N 0 0 297.221 4.393 10 0 CIAERN COCCNc1nc(-c2cccc3ccccc32)cs1 ZINC000007843665 170304506 /nfs/dbraw/zinc/30/45/06/170304506.db2.gz ALCSZGPQJZTSNT-UHFFFAOYSA-N 0 0 284.384 4.022 10 0 CIAERN CC(C)(C)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007844589 170304848 /nfs/dbraw/zinc/30/48/48/170304848.db2.gz UOXZWFMRFAUCFH-UHFFFAOYSA-N 0 0 268.332 4.299 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1 ZINC000007885482 170306194 /nfs/dbraw/zinc/30/61/94/170306194.db2.gz BLCRQKGQAKORKH-YVEFUNNKSA-N 0 0 298.361 4.191 10 0 CIAERN CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000007924495 170308003 /nfs/dbraw/zinc/30/80/03/170308003.db2.gz DYKKSEVKCODSBP-INIZCTEOSA-N 0 0 289.325 4.092 10 0 CIAERN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1c(C)cccc1C ZINC000008163176 170322177 /nfs/dbraw/zinc/32/21/77/170322177.db2.gz HUUQWSPCVLHSOH-MRXNPFEDSA-N 0 0 297.398 4.326 10 0 CIAERN CCOc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000008189753 170323317 /nfs/dbraw/zinc/32/33/17/170323317.db2.gz HOQATUGYIISTOI-UHFFFAOYSA-N 0 0 253.301 4.202 10 0 CIAERN CSc1cccc(NC(=O)/C=C/c2cccc(C)c2)c1 ZINC000008275596 170328692 /nfs/dbraw/zinc/32/86/92/170328692.db2.gz JEGACGLAWBUUHY-MDZDMXLPSA-N 0 0 283.396 4.369 10 0 CIAERN CC(C)(C)c1ccc(C(=O)OCCc2ccccc2)cc1 ZINC000008557426 170340095 /nfs/dbraw/zinc/34/00/95/170340095.db2.gz DECQQQDZEUOBEQ-UHFFFAOYSA-N 0 0 282.383 4.384 10 0 CIAERN CC(C)(C)c1ccc(C(=O)Oc2ccccc2C=O)cc1 ZINC000008557443 170340352 /nfs/dbraw/zinc/34/03/52/170340352.db2.gz OJOOLLWZSOVIIJ-UHFFFAOYSA-N 0 0 282.339 4.016 10 0 CIAERN c1ccc(Oc2ccc(NC3=NCCCS3)cc2)cc1 ZINC000008702131 170347174 /nfs/dbraw/zinc/34/71/74/170347174.db2.gz FJLXRDZRFAEKEZ-UHFFFAOYSA-N 0 0 284.384 4.384 10 0 CIAERN CC[C@@H](C)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000009208022 170366666 /nfs/dbraw/zinc/36/66/66/170366666.db2.gz PAXMZSAOAHMYTE-LLVKDONJSA-N 0 0 265.353 4.211 10 0 CIAERN Fc1ccc([C@@H]2Nc3ccccc3[C@H]3OCC[C@@H]32)cc1 ZINC000009280430 170370007 /nfs/dbraw/zinc/37/00/07/170370007.db2.gz VYXWNIZYJSGXNA-HYVNUMGLSA-N 0 0 269.319 4.070 10 0 CIAERN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C=O ZINC000009280586 170370032 /nfs/dbraw/zinc/37/00/32/170370032.db2.gz VEQULCQSHKPCDX-UHFFFAOYSA-N 0 0 292.338 4.094 10 0 CIAERN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1)N2 ZINC000009280403 170370101 /nfs/dbraw/zinc/37/01/01/170370101.db2.gz UNMNWKGQNLOJGL-FHLIZLRMSA-N 0 0 265.356 4.239 10 0 CIAERN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009331096 170372129 /nfs/dbraw/zinc/37/21/29/170372129.db2.gz XUYHTEDGKGGUHV-JCGIZDLHSA-N 0 0 283.346 4.379 10 0 CIAERN COc1cccc(C(=O)c2ccc(C(C)C)cc2)c1 ZINC000011631617 170429473 /nfs/dbraw/zinc/42/94/73/170429473.db2.gz WNYUUNBIOJZMSE-UHFFFAOYSA-N 0 0 254.329 4.050 10 0 CIAERN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1 ZINC000011637135 170430415 /nfs/dbraw/zinc/43/04/15/170430415.db2.gz OKBGQNJKLXJJLW-KRWDZBQOSA-N 0 0 283.371 4.100 10 0 CIAERN Cc1cccc(NC(=S)Nc2cc(Cl)ccc2C)n1 ZINC000013837673 170603645 /nfs/dbraw/zinc/60/36/45/170603645.db2.gz KPXJBPRNOKZEBA-UHFFFAOYSA-N 0 0 291.807 4.161 10 0 CIAERN COc1cc2oc(C)c(-c3ccccc3)c2cc1O ZINC000014488324 170635634 /nfs/dbraw/zinc/63/56/34/170635634.db2.gz DGWJMRXLDPVLRI-UHFFFAOYSA-N 0 0 254.285 4.122 10 0 biogenic,in-vitro CIAERN Cc1cccc(C(=O)Oc2c(C=O)ccc3ccccc32)c1 ZINC000014777245 170644780 /nfs/dbraw/zinc/64/47/80/170644780.db2.gz ILMOSIBXEZXRKF-UHFFFAOYSA-N 0 0 290.318 4.180 10 0 CIAERN Cc1ccc(OC(=O)c2ccccc2F)cc1Cl ZINC000014780081 170645255 /nfs/dbraw/zinc/64/52/55/170645255.db2.gz MXHXQSJKUGLZQY-UHFFFAOYSA-N 0 0 264.683 4.007 10 0 CIAERN Cc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3OCC[C@H]32)cc1 ZINC000015014744 170653538 /nfs/dbraw/zinc/65/35/38/170653538.db2.gz BTOPNQJWTZVMBV-WBAXXEDZSA-N 0 0 283.346 4.379 10 0 CIAERN FC(F)(F)c1ccc2sc(-c3cccnc3)nc2c1 ZINC000015042184 170655402 /nfs/dbraw/zinc/65/54/02/170655402.db2.gz QAQIXFQJQIEQAZ-UHFFFAOYSA-N 0 0 280.274 4.377 10 0 CIAERN CC[C@H](C)[C@H](C(=O)Nc1ccccc1OC)c1ccccc1 ZINC000016030399 170685933 /nfs/dbraw/zinc/68/59/33/170685933.db2.gz PYXDZMAGWRLQSX-KSSFIOAISA-N 0 0 297.398 4.464 10 0 CIAERN C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccccc2Cl)[C@@H]1C ZINC000017022803 170721862 /nfs/dbraw/zinc/72/18/62/170721862.db2.gz CSXOYFJBAFIIFZ-FWMIFISOSA-N 0 0 291.822 4.294 10 0 CIAERN C[C@@H]1Cc2ccccc2N1c1ccc(N)c(C(F)(F)F)c1 ZINC000019233392 170758020 /nfs/dbraw/zinc/75/80/20/170758020.db2.gz ZUQJEGLBHYRGFQ-SNVBAGLBSA-N 0 0 292.304 4.370 10 0 CIAERN CC[C@@H](C(=O)Nc1ccc(Cl)cc1N)c1ccccc1 ZINC000019392103 170781508 /nfs/dbraw/zinc/78/15/08/170781508.db2.gz XZPUFDOHCZMWGY-CYBMUJFWSA-N 0 0 288.778 4.055 10 0 CIAERN Cc1cc(C)cc(-n2nc(-c3ccccc3C)cc2N)c1 ZINC000019689095 170841732 /nfs/dbraw/zinc/84/17/32/170841732.db2.gz JLZLHXOSMYBKFU-UHFFFAOYSA-N 0 0 277.371 4.047 10 0 CIAERN Brc1ccc(NC2CCCCC2)cc1 ZINC000019772256 170857511 /nfs/dbraw/zinc/85/75/11/170857511.db2.gz FQGLYWZKVCFREG-UHFFFAOYSA-N 0 0 254.171 4.194 10 0 CIAERN CC[C@H]1CCCC[C@@H]1OCc1ccc(Cl)nc1 ZINC000019803324 170872273 /nfs/dbraw/zinc/87/22/73/170872273.db2.gz LTFPFSIJZIYFDJ-STQMWFEESA-N 0 0 253.773 4.220 10 0 CIAERN NC(=S)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000019806150 170875012 /nfs/dbraw/zinc/87/50/12/170875012.db2.gz CAPYTQKMYJLVQP-UHFFFAOYSA-N 0 0 293.391 4.053 10 0 CIAERN CCc1ccc(COc2ccc(C(C)=O)cc2)s1 ZINC000019806469 170875616 /nfs/dbraw/zinc/87/56/16/170875616.db2.gz LMHDUUAUSBWKRU-UHFFFAOYSA-N 0 0 260.358 4.092 10 0 CIAERN Fc1ccc(N[C@@H]2CCOc3ccccc32)c(F)c1F ZINC000019907728 170919551 /nfs/dbraw/zinc/91/95/51/170919551.db2.gz QGUYBZKJEAQGRC-LLVKDONJSA-N 0 0 279.261 4.040 10 0 CIAERN c1ccc2c(c1)Cc1cc(N[C@H]3CCSC3)ccc1-2 ZINC000019907490 170919729 /nfs/dbraw/zinc/91/97/29/170919729.db2.gz IGAUNWAIKHWRGX-HNNXBMFYSA-N 0 0 267.397 4.175 10 0 CIAERN COc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1 ZINC000019907844 170919934 /nfs/dbraw/zinc/91/99/34/170919934.db2.gz AKXNOUAOMLBZKB-JTQLQIEISA-N 0 0 263.287 4.147 10 0 CIAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000019909858 170921259 /nfs/dbraw/zinc/92/12/59/170921259.db2.gz OCIIZTWXMQKQBW-SNVBAGLBSA-N 0 0 266.266 4.274 10 0 CIAERN CCOc1ccc(NCc2cccc(F)c2)cc1OCC ZINC000019912200 170922148 /nfs/dbraw/zinc/92/21/48/170922148.db2.gz GZFVAUZFHWZVNZ-UHFFFAOYSA-N 0 0 289.350 4.235 10 0 CIAERN CC(C)c1ccc(N[C@H]2COc3cc(O)ccc32)cc1 ZINC000019912468 170922598 /nfs/dbraw/zinc/92/25/98/170922598.db2.gz ZMXLYWASRXRMTF-INIZCTEOSA-N 0 0 269.344 4.061 10 0 CIAERN CCOc1ccc([C@@H](C)Nc2ccccc2F)cc1 ZINC000019944542 170935847 /nfs/dbraw/zinc/93/58/47/170935847.db2.gz HABDFHQPCUPGIX-GFCCVEGCSA-N 0 0 259.324 4.398 10 0 CIAERN C[C@@H](CCc1ccc(O)cc1)Nc1ccc(F)cc1F ZINC000019952198 170940092 /nfs/dbraw/zinc/94/00/92/170940092.db2.gz ABSVGMSZRZMSGN-NSHDSACASA-N 0 0 277.314 4.104 10 0 CIAERN Cc1ccccc1N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000019965068 170946413 /nfs/dbraw/zinc/94/64/13/170946413.db2.gz PBYJLWARPNGCCQ-AWEZNQCLSA-N 0 0 283.371 4.329 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2ccc(Br)cc2)C1 ZINC000019995471 170963999 /nfs/dbraw/zinc/96/39/99/170963999.db2.gz YMZLTIKNOHWXNG-MFKMUULPSA-N 0 0 268.198 4.440 10 0 CIAERN O=Cc1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000020079490 170985865 /nfs/dbraw/zinc/98/58/65/170985865.db2.gz AIKFNVOSXRWGGF-UHFFFAOYSA-N 0 0 295.107 4.193 10 0 CIAERN Cc1nc([C@H](C)N[C@@H](C)c2ccccc2C)c(C)s1 ZINC000020126371 171010369 /nfs/dbraw/zinc/01/03/69/171010369.db2.gz FJESHLLHNJGQPN-RYUDHWBXSA-N 0 0 274.433 4.480 10 0 CIAERN Clc1ccc(CNc2ccc3[nH]ccc3c2)cc1 ZINC000020132229 171020481 /nfs/dbraw/zinc/02/04/81/171020481.db2.gz VJXFCTMPZKYCJB-UHFFFAOYSA-N 0 0 256.736 4.433 10 0 CIAERN Clc1ccc(CNCc2nc3ccccc3s2)s1 ZINC000020136399 171023733 /nfs/dbraw/zinc/02/37/33/171023733.db2.gz USHCNGLGEURNJK-UHFFFAOYSA-N 0 0 294.832 4.301 10 0 CIAERN Cc1c(N)cccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000020194653 171059813 /nfs/dbraw/zinc/05/98/13/171059813.db2.gz RIEUCUJZAMITBD-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1ccc(F)c(Cl)c1 ZINC000020194088 171060186 /nfs/dbraw/zinc/06/01/86/171060186.db2.gz VGFHJIQTTALEHT-SECBINFHSA-N 0 0 265.715 4.358 10 0 CIAERN CC1(C)Cc2[nH]c3ccc(Br)cc3c2C(=O)C1 ZINC000020217107 171079961 /nfs/dbraw/zinc/07/99/61/171079961.db2.gz VCCZSSYOJIQTBS-UHFFFAOYSA-N 0 0 292.176 4.086 10 0 CIAERN O=C(c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000020230514 171093698 /nfs/dbraw/zinc/09/36/98/171093698.db2.gz GTOIVYIQAXETHQ-UHFFFAOYSA-N 0 0 251.112 4.224 10 0 CIAERN Cc1cccc(NCc2ccc3ccccc3n2)c1C ZINC000020246334 171099306 /nfs/dbraw/zinc/09/93/06/171099306.db2.gz JPGDCYAOGVUGNX-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN Cc1noc(C)c1CNc1ccccc1SC(F)F ZINC000020252902 171104840 /nfs/dbraw/zinc/10/48/40/171104840.db2.gz FBVFAWMZCZUCBO-UHFFFAOYSA-N 0 0 284.331 4.218 10 0 CIAERN Cc1nc(CNc2ccc(Cl)cc2Cl)cs1 ZINC000020252883 171105075 /nfs/dbraw/zinc/10/50/75/171105075.db2.gz PRFNIMOUFMFLPK-UHFFFAOYSA-N 0 0 273.188 4.370 10 0 CIAERN Nc1cccnc1Oc1ccc(-c2ccccc2)cc1 ZINC000020278575 171132042 /nfs/dbraw/zinc/13/20/42/171132042.db2.gz QCRVTSXPBLJOCM-UHFFFAOYSA-N 0 0 262.312 4.123 10 0 CIAERN CC(C)c1cccc(N2Cc3ccccc3C2=N)c1 ZINC000020303890 171140203 /nfs/dbraw/zinc/14/02/03/171140203.db2.gz XOTUKRAYEVOSOE-UHFFFAOYSA-N 0 0 250.345 4.156 10 0 CIAERN Cc1ccc(F)cc1Nc1nc2ccccc2s1 ZINC000020303630 171140450 /nfs/dbraw/zinc/14/04/50/171140450.db2.gz WDXQPWZXUGYZEP-UHFFFAOYSA-N 0 0 258.321 4.487 10 0 CIAERN Nc1cccnc1Nc1ccccc1Oc1ccccc1 ZINC000020317585 171147734 /nfs/dbraw/zinc/14/77/34/171147734.db2.gz KSFZLYDMBSSBKB-UHFFFAOYSA-N 0 0 277.327 4.200 10 0 CIAERN Nc1cccnc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000020317780 171147834 /nfs/dbraw/zinc/14/78/34/171147834.db2.gz LXIBIMDZZVMJLE-UHFFFAOYSA-N 0 0 288.565 4.368 10 0 CIAERN Nc1ccc(Cl)c(NC(=O)CCC2CCCCC2)c1 ZINC000020344706 171153938 /nfs/dbraw/zinc/15/39/38/171153938.db2.gz CTOHJUOQKNRRIW-UHFFFAOYSA-N 0 0 280.799 4.221 10 0 CIAERN Cc1ccc(F)c(NCc2ccc3ccccc3n2)c1 ZINC000020360166 171158807 /nfs/dbraw/zinc/15/88/07/171158807.db2.gz FRLGZOKKMFUEAP-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN Cn1cccc1CNc1ccc(Cl)cc1C(F)(F)F ZINC000020359692 171158855 /nfs/dbraw/zinc/15/88/55/171158855.db2.gz OWVQCLIGORINGI-UHFFFAOYSA-N 0 0 288.700 4.309 10 0 CIAERN Fc1cccc(Cl)c1CNc1c(F)cccc1F ZINC000020361177 171159303 /nfs/dbraw/zinc/15/93/03/171159303.db2.gz FIFPLACOXVWPDX-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN COc1ccccc1CNc1ccc(C)cc1Cl ZINC000020361031 171159601 /nfs/dbraw/zinc/15/96/01/171159601.db2.gz XRUCUZPROKPERM-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN NC(c1cc2ccccc2o1)c1cc2ccccc2o1 ZINC000020369153 171167059 /nfs/dbraw/zinc/16/70/59/171167059.db2.gz DXQPRLIHAOPJCX-UHFFFAOYSA-N 0 0 263.296 4.227 10 0 CIAERN COC(=O)CCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000020368748 171167271 /nfs/dbraw/zinc/16/72/71/171167271.db2.gz HXWADKWIKBIGRK-UHFFFAOYSA-N 0 0 292.419 4.342 10 0 CIAERN Nc1cc(Cl)ccc1NC1CCCCCCC1 ZINC000020382818 171173206 /nfs/dbraw/zinc/17/32/06/171173206.db2.gz CLQAPQJXRCQBCK-UHFFFAOYSA-N 0 0 252.789 4.447 10 0 CIAERN Nc1ccccc1NCCc1ccc(Cl)cc1Cl ZINC000020383244 171173474 /nfs/dbraw/zinc/17/34/74/171173474.db2.gz SBTMBBCRNAMFGV-UHFFFAOYSA-N 0 0 281.186 4.230 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1N ZINC000020383673 171173755 /nfs/dbraw/zinc/17/37/55/171173755.db2.gz XBWPJMKLEKKNMI-BXKDBHETSA-N 0 0 272.314 4.278 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1N ZINC000020383677 171174060 /nfs/dbraw/zinc/17/40/60/171174060.db2.gz XBWPJMKLEKKNMI-JOYOIKCWSA-N 0 0 272.314 4.278 10 0 CIAERN COc1ccc2oc([C@H](N)c3ccc(Cl)cc3)cc2c1 ZINC000020389625 171178957 /nfs/dbraw/zinc/17/89/57/171178957.db2.gz ZLTFLHNWPZBADG-MRXNPFEDSA-N 0 0 287.746 4.143 10 0 CIAERN COC(=O)c1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000020391494 171180410 /nfs/dbraw/zinc/18/04/10/171180410.db2.gz BUTVGUMVLWZWCF-UHFFFAOYSA-N 0 0 281.138 4.447 10 0 CIAERN Oc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000020391437 171180456 /nfs/dbraw/zinc/18/04/56/171180456.db2.gz QBUZGHPDFUNKIZ-UHFFFAOYSA-N 0 0 254.207 4.203 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430266 171195049 /nfs/dbraw/zinc/19/50/49/171195049.db2.gz JEMDASJMOXVGBR-DTWKUNHWSA-N 0 0 274.177 4.435 10 0 CIAERN Cc1cc(Cl)cc(C)c1Oc1ccccc1CO ZINC000020435275 171201123 /nfs/dbraw/zinc/20/11/23/171201123.db2.gz MZZCGBWQCSEFBS-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN OCc1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000020435293 171201141 /nfs/dbraw/zinc/20/11/41/171201141.db2.gz HYLYLCNSCKUMPR-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN OCc1ccccc1Oc1ccc2ccccc2c1 ZINC000020435428 171201235 /nfs/dbraw/zinc/20/12/35/171201235.db2.gz PKAKEODSCKQQDG-UHFFFAOYSA-N 0 0 250.297 4.124 10 0 CIAERN CC[C@@H](C)c1ccccc1Oc1ccc(CO)cc1 ZINC000020435442 171201295 /nfs/dbraw/zinc/20/12/95/171201295.db2.gz XMZNGBPXTFOATR-CYBMUJFWSA-N 0 0 256.345 4.485 10 0 CIAERN CC(C)(C)c1ccccc1Oc1ccc(CO)cc1 ZINC000020435285 171201508 /nfs/dbraw/zinc/20/15/08/171201508.db2.gz KETJJVNAYXRKEJ-UHFFFAOYSA-N 0 0 256.345 4.269 10 0 CIAERN FC(F)(F)c1cccc(Cl)c1N[C@@H]1CCSC1 ZINC000020443010 171205727 /nfs/dbraw/zinc/20/57/27/171205727.db2.gz VWSAUJOGDXHYIO-SSDOTTSWSA-N 0 0 281.730 4.276 10 0 CIAERN C[C@@H](Nc1cccc(Cl)c1F)c1ccc(O)cc1 ZINC000020472382 171215268 /nfs/dbraw/zinc/21/52/68/171215268.db2.gz VNPSFDGZUSDKAN-SECBINFHSA-N 0 0 265.715 4.358 10 0 CIAERN O=Cc1ccc(Oc2ccc(Br)cc2F)cc1 ZINC000020474039 171217998 /nfs/dbraw/zinc/21/79/98/171217998.db2.gz GOPUPXLEXOICHA-UHFFFAOYSA-N 0 0 295.107 4.193 10 0 CIAERN CCCCN(CCCC)c1ccc(C(C)=O)cc1F ZINC000020485703 171225086 /nfs/dbraw/zinc/22/50/86/171225086.db2.gz SUZSDJRBKJUPDV-UHFFFAOYSA-N 0 0 265.372 4.435 10 0 CIAERN CCCCCC[C@@H](C)Oc1ccc(C(N)=S)cc1 ZINC000020515177 171232134 /nfs/dbraw/zinc/23/21/34/171232134.db2.gz MLIJOSNRIBBLIF-GFCCVEGCSA-N 0 0 265.422 4.059 10 0 CIAERN CCCCCC[C@H](C)Oc1ccc(C=O)cc1F ZINC000020517116 171232892 /nfs/dbraw/zinc/23/28/92/171232892.db2.gz FDHKNMRYLUDCCD-LBPRGKRZSA-N 0 0 252.329 4.376 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000020524241 171237356 /nfs/dbraw/zinc/23/73/56/171237356.db2.gz AUYYEOBDNFKELM-JTQLQIEISA-N 0 0 275.314 4.321 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(C)cc1Cl ZINC000020524801 171237795 /nfs/dbraw/zinc/23/77/95/171237795.db2.gz NIXPGLOVCBWIMT-LLVKDONJSA-N 0 0 255.789 4.264 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000020524795 171237827 /nfs/dbraw/zinc/23/78/27/171237827.db2.gz WBCPTWMLUDIDGG-SECBINFHSA-N 0 0 259.752 4.095 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cccc(Cl)c1F ZINC000020524805 171237884 /nfs/dbraw/zinc/23/78/84/171237884.db2.gz ZGGVITBFKVMESK-SECBINFHSA-N 0 0 259.752 4.095 10 0 CIAERN C[C@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000020538305 171241444 /nfs/dbraw/zinc/24/14/44/171241444.db2.gz NGZVGJDKOHUSEO-JTQLQIEISA-N 0 0 292.741 4.362 10 0 CIAERN COc1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000020545877 171243782 /nfs/dbraw/zinc/24/37/82/171243782.db2.gz PTDHHMFOQSGNLE-JTQLQIEISA-N 0 0 296.292 4.282 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccccc1C=O ZINC000020547423 171245103 /nfs/dbraw/zinc/24/51/03/171245103.db2.gz IYHWVRDGZHWINB-KMFMINBZSA-N 0 0 260.377 4.339 10 0 CIAERN CCCCCNc1ccc(C)cc1Br ZINC000020549539 171246172 /nfs/dbraw/zinc/24/61/72/171246172.db2.gz UHIITYFOVKYEQK-UHFFFAOYSA-N 0 0 256.187 4.360 10 0 CIAERN CCN(c1ccccc1C)c1ccc(N)cc1Cl ZINC000020551713 171247422 /nfs/dbraw/zinc/24/74/22/171247422.db2.gz PTUMMPPGKIAIBJ-UHFFFAOYSA-N 0 0 260.768 4.389 10 0 CIAERN CCCCCNc1ccc(Br)cc1F ZINC000020553362 171248648 /nfs/dbraw/zinc/24/86/48/171248648.db2.gz OMGZZQUAPHARTL-UHFFFAOYSA-N 0 0 260.150 4.190 10 0 CIAERN Cc1cc(Cl)ccc1Nc1ccccc1C(N)=S ZINC000020557002 171250192 /nfs/dbraw/zinc/25/01/92/171250192.db2.gz YSUQKPDBXDWLPU-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1cc(Cl)c(OC)cc1OC ZINC000020558847 171251049 /nfs/dbraw/zinc/25/10/49/171251049.db2.gz UUOBGEUWKZKQFR-NXEZZACHSA-N 0 0 271.788 4.204 10 0 CIAERN Brc1cccc(OCCCc2ccccc2)c1 ZINC000020561449 171251917 /nfs/dbraw/zinc/25/19/17/171251917.db2.gz WKYGWDCRBMIXJR-UHFFFAOYSA-N 0 0 291.188 4.461 10 0 CIAERN CCc1ccc(CNc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000020561908 171252449 /nfs/dbraw/zinc/25/24/49/171252449.db2.gz TWROXWLNVDGNTJ-UHFFFAOYSA-N 0 0 291.297 4.183 10 0 CIAERN COc1ccc(OC)c(NC2CCCCCCC2)c1 ZINC000020562685 171252497 /nfs/dbraw/zinc/25/24/97/171252497.db2.gz YTIWJOYIZVQLRC-UHFFFAOYSA-N 0 0 263.381 4.229 10 0 CIAERN Cc1ccc(Nc2ccc(N)cc2F)cc1Cl ZINC000020584671 171258279 /nfs/dbraw/zinc/25/82/79/171258279.db2.gz LUXOEOMFOGVZMW-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1cc(F)ccc1Nc1ccc(Cl)c(Cl)c1 ZINC000020585347 171258784 /nfs/dbraw/zinc/25/87/84/171258784.db2.gz QGCGFAGQSVGGGE-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccc(Br)cc1 ZINC000020585554 171259000 /nfs/dbraw/zinc/25/90/00/171259000.db2.gz AEXAXHKPFPNEBN-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN Cc1ccc(Nc2ccc(N)cc2Cl)c(F)c1 ZINC000020585796 171259005 /nfs/dbraw/zinc/25/90/05/171259005.db2.gz QKBIDPDFQYPQGY-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2N)cc1F ZINC000020585652 171259063 /nfs/dbraw/zinc/25/90/63/171259063.db2.gz NGQUZBQGRPLIPR-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Cc1ccc(F)cc1Nc1ccc(Br)cc1N ZINC000020585626 171259101 /nfs/dbraw/zinc/25/91/01/171259101.db2.gz UUHAHUYOFBZUDN-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Nc1cccc(Cl)c1Nc1cccc(Br)c1 ZINC000020585559 171259154 /nfs/dbraw/zinc/25/91/54/171259154.db2.gz QFMCBAUZOLVJOP-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN Cc1n[nH]c(=S)n1[C@@H](C)c1ccc(Cl)cc1Cl ZINC000020589995 171260961 /nfs/dbraw/zinc/26/09/61/171260961.db2.gz QLIKPTXUMYIGCS-LURJTMIESA-N 0 0 288.203 4.165 10 0 CIAERN Cc1cc(C(=O)c2oc3ccccc3c2C)c(C)o1 ZINC000020592565 171262041 /nfs/dbraw/zinc/26/20/41/171262041.db2.gz CBSZNJZIZGGLDX-UHFFFAOYSA-N 0 0 254.285 4.182 10 0 CIAERN O=C(c1cc2cc(Cl)cc(Cl)c2o1)c1ccncc1 ZINC000020592650 171262195 /nfs/dbraw/zinc/26/21/95/171262195.db2.gz GPYXUHSJIPYXEA-UHFFFAOYSA-N 0 0 292.121 4.366 10 0 CIAERN Cc1cc([C@@H](N)c2cc3cc(Cl)ccc3o2)c(C)o1 ZINC000020592824 171262245 /nfs/dbraw/zinc/26/22/45/171262245.db2.gz MQZHMPUPSZDJJS-OAHLLOKOSA-N 0 0 275.735 4.344 10 0 CIAERN Cc1c2ccccc2oc1[C@H](N)c1ccccc1Cl ZINC000020592929 171262612 /nfs/dbraw/zinc/26/26/12/171262612.db2.gz QHQUMEDWTSQIJK-OAHLLOKOSA-N 0 0 271.747 4.443 10 0 CIAERN CC(C)Sc1nnc(C(C)(C)C)n1-c1ccccc1 ZINC000020838565 171275603 /nfs/dbraw/zinc/27/56/03/171275603.db2.gz PDRRAVXMRRVRDD-UHFFFAOYSA-N 0 0 275.421 4.065 10 0 CIAERN CCC1CCC(Nc2ccc(OC)c(OC)c2)CC1 ZINC000021027507 171291742 /nfs/dbraw/zinc/29/17/42/171291742.db2.gz HSTSJACVXQISOC-UHFFFAOYSA-N 0 0 263.381 4.085 10 0 CIAERN COc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1C ZINC000021039502 171293498 /nfs/dbraw/zinc/29/34/98/171293498.db2.gz BGOTWAGFNVTKJZ-CMPLNLGQSA-N 0 0 253.773 4.339 10 0 CIAERN Nc1ccc(Sc2ccccc2)cc1C(F)(F)F ZINC000021058950 171296172 /nfs/dbraw/zinc/29/61/72/171296172.db2.gz CCFBYNBZNPMWMD-UHFFFAOYSA-N 0 0 269.291 4.439 10 0 CIAERN COc1ccc(N[C@@H](C)c2ccc(CC(C)C)cc2)cn1 ZINC000021502893 171306503 /nfs/dbraw/zinc/30/65/03/171306503.db2.gz QNZBNJYLBGYXHT-AWEZNQCLSA-N 0 0 284.403 4.462 10 0 CIAERN NC(=S)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000021503504 171306834 /nfs/dbraw/zinc/30/68/34/171306834.db2.gz QNSLXTGXGVMDQG-UHFFFAOYSA-N 0 0 298.194 4.420 10 0 CIAERN CC[C@H](C)CNc1ccc(Br)cc1C ZINC000021504345 171307210 /nfs/dbraw/zinc/30/72/10/171307210.db2.gz HFELCGLIDLDSEN-VIFPVBQESA-N 0 0 256.187 4.216 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1cccc(Br)c1 ZINC000021509159 171309058 /nfs/dbraw/zinc/30/90/58/171309058.db2.gz VCJWSAGQSWIUSN-GXFFZTMASA-N 0 0 268.198 4.440 10 0 CIAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000021509345 171309072 /nfs/dbraw/zinc/30/90/72/171309072.db2.gz DFUJEUKAGNZPJT-SNVBAGLBSA-N 0 0 277.270 4.181 10 0 CIAERN C[C@H](CCc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000021510457 171310169 /nfs/dbraw/zinc/31/01/69/171310169.db2.gz MWNCQSQWBKGVJG-GFCCVEGCSA-N 0 0 261.315 4.398 10 0 CIAERN CCOc1ccc(OCC)c(NCc2ccc(C)cc2)c1 ZINC000021512207 171311016 /nfs/dbraw/zinc/31/10/16/171311016.db2.gz DTGTYSZFLJXGPC-UHFFFAOYSA-N 0 0 285.387 4.405 10 0 CIAERN Cc1ccc(O)c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000021513630 171311448 /nfs/dbraw/zinc/31/14/48/171311448.db2.gz KZYBJOXQQDGUNZ-UHFFFAOYSA-N 0 0 269.344 4.076 10 0 CIAERN C[C@H]1CCC[C@H](Nc2ccccc2OC(F)F)C1 ZINC000021514999 171311945 /nfs/dbraw/zinc/31/19/45/171311945.db2.gz OAWNTGVPHFWQQB-QWRGUYRKSA-N 0 0 255.308 4.279 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1cc(C)cc(C)c1 ZINC000021517126 171313216 /nfs/dbraw/zinc/31/32/16/171313216.db2.gz NBAPIHVCQOTNOI-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(O)c1 ZINC000021516811 171313368 /nfs/dbraw/zinc/31/33/68/171313368.db2.gz ZSHHCMUVJYRJCD-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1ccc(Br)cc1F ZINC000021518074 171313939 /nfs/dbraw/zinc/31/39/39/171313939.db2.gz OMRHNQCAVFTHPX-DTWKUNHWSA-N 0 0 274.177 4.435 10 0 CIAERN CC(C)C[C@H](C)Nc1cccc(Br)c1 ZINC000021517882 171314102 /nfs/dbraw/zinc/31/41/02/171314102.db2.gz NBVOTULZVTWQHD-JTQLQIEISA-N 0 0 256.187 4.296 10 0 CIAERN Fc1ccc(NCc2c(F)cccc2Cl)cc1F ZINC000021518517 171314359 /nfs/dbraw/zinc/31/43/59/171314359.db2.gz IXVPLFXITVGASK-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN CCCCc1ccc2ncc(C(=O)OCC)c(Cl)c2c1 ZINC000021787564 171323067 /nfs/dbraw/zinc/32/30/67/171323067.db2.gz JZSYKOJUGNUGJV-UHFFFAOYSA-N 0 0 291.778 4.408 10 0 CIAERN Fc1cc(Br)ccc1NC[C@H]1CC=CCC1 ZINC000021802426 171326387 /nfs/dbraw/zinc/32/63/87/171326387.db2.gz HPSXGMTWNPZPGI-JTQLQIEISA-N 0 0 284.172 4.356 10 0 CIAERN CCCCC[C@H](C)Nc1ccc(OC)cc1OC ZINC000021807759 171328352 /nfs/dbraw/zinc/32/83/52/171328352.db2.gz YUZBJRNUABLLSR-LBPRGKRZSA-N 0 0 251.370 4.085 10 0 CIAERN CC(=O)c1cc(F)ccc1N1c2ccccc2C[C@H]1C ZINC000021812139 171329772 /nfs/dbraw/zinc/32/97/72/171329772.db2.gz FKRWOLBCQFXZFF-LLVKDONJSA-N 0 0 269.319 4.111 10 0 CIAERN CC(C)CC[C@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021812550 171330225 /nfs/dbraw/zinc/33/02/25/171330225.db2.gz WZZIEGYALXJYJR-ZDUSSCGKSA-N 0 0 263.381 4.085 10 0 CIAERN Fc1cc(F)cc(N[C@H]2CCCc3ccccc32)c1 ZINC000021813067 171330594 /nfs/dbraw/zinc/33/05/94/171330594.db2.gz ZSZQUCPYKWWTNF-INIZCTEOSA-N 0 0 259.299 4.454 10 0 CIAERN CC(C)C[C@@H](C)Nc1ccc(Br)cc1F ZINC000021813458 171331060 /nfs/dbraw/zinc/33/10/60/171331060.db2.gz TVUZZIFWFOTMAN-SECBINFHSA-N 0 0 274.177 4.435 10 0 CIAERN N[C@H](c1ccc(C2CCCCC2)cc1)C(F)(F)F ZINC000021814214 171331229 /nfs/dbraw/zinc/33/12/29/171331229.db2.gz MKIULLUZOJEQLS-CYBMUJFWSA-N 0 0 257.299 4.296 10 0 CIAERN c1ccc(CCCNc2cccc3cccnc32)cc1 ZINC000021814706 171331740 /nfs/dbraw/zinc/33/17/40/171331740.db2.gz ARHDWTMCSSNQNZ-UHFFFAOYSA-N 0 0 262.356 4.280 10 0 CIAERN Fc1c(F)c(F)c(NCCc2ccccc2)c(F)c1F ZINC000021815818 171331934 /nfs/dbraw/zinc/33/19/34/171331934.db2.gz HAHANOPVRBPJKD-UHFFFAOYSA-N 0 0 287.231 4.037 10 0 CIAERN COc1ccc(Cl)cc1N[C@H]1CCC[C@@H](C)C1 ZINC000021815614 171332051 /nfs/dbraw/zinc/33/20/51/171332051.db2.gz ILGBGRNLTBYFNM-PWSUYJOCSA-N 0 0 253.773 4.339 10 0 CIAERN Fc1ccc(NCc2ccccc2OC(F)(F)F)cc1 ZINC000021816164 171332507 /nfs/dbraw/zinc/33/25/07/171332507.db2.gz KKRJEGSCAWVKRQ-UHFFFAOYSA-N 0 0 285.240 4.336 10 0 CIAERN Cc1ccc(OC[C@@H](N)c2cc3ccccc3o2)cc1C ZINC000021816389 171332515 /nfs/dbraw/zinc/33/25/15/171332515.db2.gz VHUZHDHKIMWDNK-MRXNPFEDSA-N 0 0 281.355 4.128 10 0 CIAERN CC(C)(C)c1ccccc1OCc1cccc(C(N)=S)c1 ZINC000021816831 171333050 /nfs/dbraw/zinc/33/30/50/171333050.db2.gz FXBKRAHUFSZXKK-UHFFFAOYSA-N 0 0 299.439 4.197 10 0 CIAERN Nc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000021965348 171343362 /nfs/dbraw/zinc/34/33/62/171343362.db2.gz KOWDTMVLBLBYIN-UHFFFAOYSA-N 0 0 296.157 4.220 10 0 CIAERN Clc1nc2ccccc2cc1/C=C/Br ZINC000021997436 171347562 /nfs/dbraw/zinc/34/75/62/171347562.db2.gz CFVHGFDMWOAHNV-AATRIKPKSA-N 0 0 268.541 4.254 10 0 CIAERN CCCCc1nc(Cl)c(COCc2ccccc2)[nH]1 ZINC000022053673 171351010 /nfs/dbraw/zinc/35/10/10/171351010.db2.gz BPRFBRRGRCRQCZ-UHFFFAOYSA-N 0 0 278.783 4.123 10 0 in-vitro CIAERN Cc1cc(Cl)ccc1Nc1ccc(C(N)=S)cc1 ZINC000022147912 171357246 /nfs/dbraw/zinc/35/72/46/171357246.db2.gz VCXMBNLVAUTHRZ-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)c(C)c1 ZINC000023651357 171425056 /nfs/dbraw/zinc/42/50/56/171425056.db2.gz BLXWURDDUSSXAG-ZDUSSCGKSA-N 0 0 287.790 4.448 10 0 CIAERN Oc1ccc(-n2c3ccccc3nc2-c2cccs2)cc1 ZINC000028564685 171563571 /nfs/dbraw/zinc/56/35/71/171563571.db2.gz PXPYVMYIZRSPDS-UHFFFAOYSA-N 0 0 292.363 4.460 10 0 CIAERN c1cc2ncnc(N[C@H]3CCCc4ccccc43)c2s1 ZINC000028624598 171567322 /nfs/dbraw/zinc/56/73/22/171567322.db2.gz JLFUXRYDGGGNBT-ZDUSSCGKSA-N 0 0 281.384 4.181 10 0 CIAERN CC(C)COc1cccc(CNc2ccccc2)c1 ZINC000032108823 171701041 /nfs/dbraw/zinc/70/10/41/171701041.db2.gz KPIKLVSHFYEXGG-UHFFFAOYSA-N 0 0 255.361 4.334 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2cc3ccccn3c2)c(C)c1 ZINC000033138716 171771837 /nfs/dbraw/zinc/77/18/37/171771837.db2.gz PUPDKHDLKLWHTQ-OAHLLOKOSA-N 0 0 292.382 4.047 10 0 CIAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000033317258 171782646 /nfs/dbraw/zinc/78/26/46/171782646.db2.gz GECXZZJAAZKWSN-VURMDHGXSA-N 0 0 298.213 4.409 10 0 CIAERN Cc1cc(OC(=O)/C=C\c2cccs2)ccc1Cl ZINC000033330392 171784707 /nfs/dbraw/zinc/78/47/07/171784707.db2.gz SHRPBMUEJNYHDC-ALCCZGGFSA-N 0 0 278.760 4.329 10 0 CIAERN Cc1sccc1Sc1nccnc1C(C)C ZINC000033637376 171816344 /nfs/dbraw/zinc/81/63/44/171816344.db2.gz VTNHXYJLRZHYLW-UHFFFAOYSA-N 0 0 250.392 4.121 10 0 CIAERN O=C(CCc1ccccc1Br)c1ccccc1 ZINC000034499042 171841870 /nfs/dbraw/zinc/84/18/70/171841870.db2.gz AJPOMSPWNAGXSG-UHFFFAOYSA-N 0 0 289.172 4.265 10 0 CIAERN Cc1ccsc1C(=O)Cc1nc2ccccc2s1 ZINC000034940298 171900098 /nfs/dbraw/zinc/90/00/98/171900098.db2.gz QYYWQUFLOVGPFG-UHFFFAOYSA-N 0 0 273.382 4.092 10 0 CIAERN O=C1c2c(ccc3ccccc32)OC[C@H]1c1ccccc1 ZINC000034960057 171905149 /nfs/dbraw/zinc/90/51/49/171905149.db2.gz GIBVMNUNUQHVIB-INIZCTEOSA-N 0 0 274.319 4.199 10 0 CIAERN CCC(CC)c1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000034975820 171910405 /nfs/dbraw/zinc/91/04/05/171910405.db2.gz MQOLXUPGVWKECD-UHFFFAOYSA-N 0 0 263.772 4.216 10 0 CIAERN Cc1noc(C)c1CN[C@@H](c1cccs1)c1ccccc1 ZINC000035012282 171929436 /nfs/dbraw/zinc/92/94/36/171929436.db2.gz LCJPTQUCGVUEKY-QGZVFWFLSA-N 0 0 298.411 4.232 10 0 CIAERN C[C@H]1Cc2ccccc2N1CC(=O)c1ccc(Cl)s1 ZINC000035020192 171938247 /nfs/dbraw/zinc/93/82/47/171938247.db2.gz VJZMIJQQIPEKHI-JTQLQIEISA-N 0 0 291.803 4.035 10 0 CIAERN CCCCCNc1cc(Br)ccc1N(C)C ZINC000035037756 171944393 /nfs/dbraw/zinc/94/43/93/171944393.db2.gz CSMZZZTUOWZYFM-UHFFFAOYSA-N 0 0 285.229 4.117 10 0 CIAERN c1ccc(CCCNc2ccccc2N2CCCC2)cc1 ZINC000035037974 171944827 /nfs/dbraw/zinc/94/48/27/171944827.db2.gz UDDGEFIDTLISJQ-UHFFFAOYSA-N 0 0 280.415 4.332 10 0 CIAERN CC(C)CS[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000035046940 171950382 /nfs/dbraw/zinc/95/03/82/171950382.db2.gz YVLOVXVVACWFCS-SNVBAGLBSA-N 0 0 256.798 4.300 10 0 CIAERN C[C@H](Nc1cc(Cl)ccc1F)c1ccc(O)cc1 ZINC000035056687 171959694 /nfs/dbraw/zinc/95/96/94/171959694.db2.gz BHYDUFHIIQFVNH-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN O=C1Nc2ccc(Cl)cc2S[C@@H]1c1ccccc1 ZINC000035076064 171965227 /nfs/dbraw/zinc/96/52/27/171965227.db2.gz QIWJEQYHAVUFEO-CYBMUJFWSA-N 0 0 275.760 4.126 10 0 CIAERN COc1ccccc1C(=O)c1oc2ccc(C)cc2c1C ZINC000035118686 171989274 /nfs/dbraw/zinc/98/92/74/171989274.db2.gz RICPSDYQTQEJHK-UHFFFAOYSA-N 0 0 280.323 4.289 10 0 CIAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1cccs1 ZINC000035127929 171997455 /nfs/dbraw/zinc/99/74/55/171997455.db2.gz WMRJKBIGSKAZSD-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN O=C(Nc1ccc(F)cc1Cl)c1c[nH]c2ccccc12 ZINC000035134640 172001452 /nfs/dbraw/zinc/00/14/52/172001452.db2.gz LGXHUNIMHHDIBS-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN O=C(Nc1cccc(Cl)c1)c1c[nH]c2ccccc12 ZINC000035134598 172001477 /nfs/dbraw/zinc/00/14/77/172001477.db2.gz ITJFQGFVPSQLAI-UHFFFAOYSA-N 0 0 270.719 4.074 10 0 CIAERN CSc1ccc(NC(=O)c2c[nH]c3ccccc32)cc1 ZINC000035139472 172008246 /nfs/dbraw/zinc/00/82/46/172008246.db2.gz NQKVTHWGOGSBCV-UHFFFAOYSA-N 0 0 282.368 4.142 10 0 CIAERN FC(F)(F)c1ccc(Cl)c(NC[C@@H]2CCCCO2)c1 ZINC000035150683 172013868 /nfs/dbraw/zinc/01/38/68/172013868.db2.gz VRULCYUYCDLWAO-JTQLQIEISA-N 0 0 293.716 4.340 10 0 CIAERN c1ccc2c(c1)Cc1cc(NC[C@H]3CCCCO3)ccc1-2 ZINC000035150863 172014606 /nfs/dbraw/zinc/01/46/06/172014606.db2.gz CFORVTXMRQOZJQ-QGZVFWFLSA-N 0 0 279.383 4.239 10 0 CIAERN CC[C@@H](C)c1ccccc1OCc1nnsc1Cl ZINC000035163638 172024712 /nfs/dbraw/zinc/02/47/12/172024712.db2.gz UFUPDXHIDAUZCZ-SECBINFHSA-N 0 0 282.796 4.284 10 0 CIAERN CC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000035181399 172034733 /nfs/dbraw/zinc/03/47/33/172034733.db2.gz WTIXLGSFUPUNDB-UHFFFAOYSA-N 0 0 262.393 4.368 10 0 CIAERN CC(C)c1ccc(OCC(=O)c2ccccc2)cc1 ZINC000035181886 172035304 /nfs/dbraw/zinc/03/53/04/172035304.db2.gz XAUQXMODUYCDNV-UHFFFAOYSA-N 0 0 254.329 4.072 10 0 CIAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(F)c(F)c2)c(C)c1 ZINC000035181814 172035338 /nfs/dbraw/zinc/03/53/38/172035338.db2.gz QRDHHXQDWKCYBC-GFCCVEGCSA-N 0 0 290.309 4.232 10 0 CIAERN COc1ccc(C(C)=O)cc1CSc1ccccc1F ZINC000035181944 172035632 /nfs/dbraw/zinc/03/56/32/172035632.db2.gz CAQNYYRTNIHWER-UHFFFAOYSA-N 0 0 290.359 4.329 10 0 CIAERN CC[C@@H](C)SCC(=O)c1c(C)cc(C)cc1C ZINC000035182553 172035928 /nfs/dbraw/zinc/03/59/28/172035928.db2.gz LCVPKXOXDDDBJI-CYBMUJFWSA-N 0 0 250.407 4.326 10 0 CIAERN CC[C@H](C)S[C@H](C)C(=O)c1cc(C)ccc1C ZINC000035182606 172036080 /nfs/dbraw/zinc/03/60/80/172036080.db2.gz GLWUYWIDXKMFSQ-QWHCGFSZSA-N 0 0 250.407 4.406 10 0 CIAERN Cc1ccc(OCC(=O)c2c(C)cc(C)cc2C)cc1 ZINC000035183629 172036806 /nfs/dbraw/zinc/03/68/06/172036806.db2.gz GHGLILZZIHNFJF-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN C[C@H](Oc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000035183837 172037400 /nfs/dbraw/zinc/03/74/00/172037400.db2.gz OURDPOHFPSFLJR-JTQLQIEISA-N 0 0 278.710 4.129 10 0 CIAERN Cc1ccccc1O[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035183772 172037458 /nfs/dbraw/zinc/03/74/58/172037458.db2.gz HUFIJUUNLYATLM-GFCCVEGCSA-N 0 0 274.747 4.299 10 0 CIAERN Cc1ccccc1O[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035183771 172037492 /nfs/dbraw/zinc/03/74/92/172037492.db2.gz HUFIJUUNLYATLM-LBPRGKRZSA-N 0 0 274.747 4.299 10 0 CIAERN O=C(COc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000035183863 172037543 /nfs/dbraw/zinc/03/75/43/172037543.db2.gz NSWPZTSOAKYXHR-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN Cc1cccc(OCC(=O)c2ccc(Cl)s2)c1C ZINC000035184368 172038046 /nfs/dbraw/zinc/03/80/46/172038046.db2.gz LNPSGEHZUAAHMF-UHFFFAOYSA-N 0 0 280.776 4.280 10 0 CIAERN O=C(COc1ccc2ccccc2c1)c1ccccc1F ZINC000035184272 172038208 /nfs/dbraw/zinc/03/82/08/172038208.db2.gz JLTOVGUYZZJUEY-UHFFFAOYSA-N 0 0 280.298 4.241 10 0 CIAERN Cc1cccc(OCC(=O)c2ccccc2Cl)c1C ZINC000035184320 172038267 /nfs/dbraw/zinc/03/82/67/172038267.db2.gz IRIXDVSBOBJQHX-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN O=C1CCC[C@H]1Sc1cc(Cl)ccc1Cl ZINC000035184968 172038467 /nfs/dbraw/zinc/03/84/67/172038467.db2.gz OVWFLKRZIXUQDA-SNVBAGLBSA-N 0 0 261.173 4.207 10 0 CIAERN N[C@H](c1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000035185281 172038695 /nfs/dbraw/zinc/03/86/95/172038695.db2.gz OFQKYJWIGHKPHL-CYBMUJFWSA-N 0 0 263.749 4.196 10 0 CIAERN CCN(C(=O)c1c[nH]c2ccccc12)c1ccccc1C ZINC000035207809 172053116 /nfs/dbraw/zinc/05/31/16/172053116.db2.gz APYBVFYZHWUASK-UHFFFAOYSA-N 0 0 278.355 4.143 10 0 CIAERN COc1ccc(Cl)cc1CNc1cc(F)cc(F)c1 ZINC000035221900 172064582 /nfs/dbraw/zinc/06/45/82/172064582.db2.gz CXUQQOBIVNUJBS-UHFFFAOYSA-N 0 0 283.705 4.239 10 0 CIAERN CCCCN(CC)c1n[nH]c(=S)n1C1CCCCC1 ZINC000035222149 172065703 /nfs/dbraw/zinc/06/57/03/172065703.db2.gz UQYSXNFWFWMKAX-UHFFFAOYSA-N 0 0 282.457 4.072 10 0 CIAERN FC(F)(F)COc1ccc(NCCc2ccccc2)cc1 ZINC000035224556 172068997 /nfs/dbraw/zinc/06/89/97/172068997.db2.gz WYNZZKNICNHNHG-UHFFFAOYSA-N 0 0 295.304 4.282 10 0 CIAERN Cc1ccc(C(=O)COc2c(C)cccc2C)cc1C ZINC000035224938 172069292 /nfs/dbraw/zinc/06/92/92/172069292.db2.gz JFAZZMLWKNUTMM-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN Cc1cccc(C)c1OCC(=O)c1ccc(Cl)cc1 ZINC000035224936 172069401 /nfs/dbraw/zinc/06/94/01/172069401.db2.gz NQZOAELUCDOWIY-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN Cc1ccc(OCC(=O)C(C)(C)C)c(C(C)(C)C)c1 ZINC000035224892 172069524 /nfs/dbraw/zinc/06/95/24/172069524.db2.gz QARXKUXKIHAEIG-UHFFFAOYSA-N 0 0 262.393 4.287 10 0 CIAERN Cc1ccc(C(C)(C)C)c(OCC(=O)C(C)(C)C)c1 ZINC000035224883 172069695 /nfs/dbraw/zinc/06/96/95/172069695.db2.gz DJOSBZUFYKCURL-UHFFFAOYSA-N 0 0 262.393 4.287 10 0 CIAERN CCc1ccc(OCCCC(C)=O)c(C(C)(C)C)c1 ZINC000035231956 172071768 /nfs/dbraw/zinc/07/17/68/172071768.db2.gz UARAYCFHWSERPN-UHFFFAOYSA-N 0 0 262.393 4.295 10 0 CIAERN Cc1cc(Nc2ccc(Br)cc2)ccc1N ZINC000035278071 172097193 /nfs/dbraw/zinc/09/71/93/172097193.db2.gz UZQGZEXXRBQYOM-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Cc1cc(O[C@@H]2CCCc3ccccc32)ccc1N ZINC000035278419 172097629 /nfs/dbraw/zinc/09/76/29/172097629.db2.gz YDSFHYYKBMEJEM-QGZVFWFLSA-N 0 0 253.345 4.034 10 0 CIAERN Nc1ccc(Oc2ccc(Cl)cc2)c2ccncc12 ZINC000035333033 172131388 /nfs/dbraw/zinc/13/13/88/172131388.db2.gz KNQGGEFIMQBJER-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Nc1ccc(Sc2cccs2)c2cccnc12 ZINC000035341085 172133397 /nfs/dbraw/zinc/13/33/97/172133397.db2.gz KPOBXLOWZCROJI-UHFFFAOYSA-N 0 0 258.371 4.030 10 0 CIAERN Cc1nc2cc(SC(C)(C)C)c(N)cc2s1 ZINC000035343081 172135212 /nfs/dbraw/zinc/13/52/12/172135212.db2.gz JGVIJHDEAYDSIY-UHFFFAOYSA-N 0 0 252.408 4.078 10 0 CIAERN O=C(c1cc2c(s1)CCCC2)c1ccc(F)cc1F ZINC000035368575 172160321 /nfs/dbraw/zinc/16/03/21/172160321.db2.gz IWWFDKHVGQAZNW-UHFFFAOYSA-N 0 0 278.323 4.136 10 0 CIAERN CN[C@H](c1ccc(F)c(F)c1)c1c(F)cccc1Cl ZINC000035494801 172227782 /nfs/dbraw/zinc/22/77/82/172227782.db2.gz JSZMETGRZUCANX-CQSZACIVSA-N 0 0 285.696 4.066 10 0 CIAERN CN[C@H](c1ccoc1C)c1cc(Cl)sc1Cl ZINC000035502061 172236290 /nfs/dbraw/zinc/23/62/90/172236290.db2.gz FBJPOMJEOJGEIW-SNVBAGLBSA-N 0 0 276.188 4.265 10 0 CIAERN CCCN[C@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035573042 172269133 /nfs/dbraw/zinc/26/91/33/172269133.db2.gz KERSMVQBTYJDDL-SECBINFHSA-N 0 0 287.297 4.295 10 0 CIAERN CCCN[C@@H](c1ccc(CCC)cc1)C(F)(F)F ZINC000035582808 172281175 /nfs/dbraw/zinc/28/11/75/172281175.db2.gz MFSLSAZTZNUQRB-ZDUSSCGKSA-N 0 0 259.315 4.242 10 0 CIAERN C[C@@H](O)c1ccc(OCc2ccc(Cl)s2)cc1 ZINC000035626338 172305325 /nfs/dbraw/zinc/30/53/25/172305325.db2.gz NFHSMJIBYNSRMZ-SECBINFHSA-N 0 0 268.765 4.034 10 0 CIAERN C[C@H](O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000035627541 172305955 /nfs/dbraw/zinc/30/59/55/172305955.db2.gz BYNIUBJAADRHEC-NSHDSACASA-N 0 0 296.288 4.338 10 0 CIAERN C[C@H](O)c1ccc2ccccc2c1OCc1ccccc1 ZINC000035627925 172306646 /nfs/dbraw/zinc/30/66/46/172306646.db2.gz NPQFGELXQGKNBE-AWEZNQCLSA-N 0 0 278.351 4.472 10 0 CIAERN CCCOc1ccccc1Oc1cccc(F)c1[C@@H](C)O ZINC000035631972 172314380 /nfs/dbraw/zinc/31/43/80/172314380.db2.gz IVGHMTKMESKPGP-GFCCVEGCSA-N 0 0 290.334 4.460 10 0 CIAERN CCc1ccc(Oc2ccc(F)cc2[C@H](C)O)cc1 ZINC000035632159 172314438 /nfs/dbraw/zinc/31/44/38/172314438.db2.gz ISAJPRGGFBVCPF-NSHDSACASA-N 0 0 260.308 4.234 10 0 CIAERN C[C@H](O)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1 ZINC000035632128 172314564 /nfs/dbraw/zinc/31/45/64/172314564.db2.gz MUXZZUKDTISENN-LBPRGKRZSA-N 0 0 284.355 4.246 10 0 CIAERN Cc1ccc2cccc(Oc3ccc([C@H](C)O)cc3)c2n1 ZINC000035632568 172315557 /nfs/dbraw/zinc/31/55/57/172315557.db2.gz IFYPYSLFPCTRLD-ZDUSSCGKSA-N 0 0 279.339 4.389 10 0 CIAERN Cc1ccc(Cl)cc1NC1Cc2ccccc2C1 ZINC000035657810 172332078 /nfs/dbraw/zinc/33/20/78/172332078.db2.gz BHMDFHMIWWSUNL-UHFFFAOYSA-N 0 0 257.764 4.228 10 0 CIAERN O=Cc1cc(Cl)cc(Cl)c1OCc1cccs1 ZINC000035662319 172340671 /nfs/dbraw/zinc/34/06/71/172340671.db2.gz AYEBAPIDRHAMCV-UHFFFAOYSA-N 0 0 287.167 4.446 10 0 CIAERN CC(C)CCOc1c(Cl)cc(Cl)cc1C=O ZINC000035662256 172340716 /nfs/dbraw/zinc/34/07/16/172340716.db2.gz OFDBPJBRFJRASE-UHFFFAOYSA-N 0 0 261.148 4.231 10 0 CIAERN C[C@@H](Nc1ccc(N)cc1Cl)c1cccs1 ZINC000035736763 172389745 /nfs/dbraw/zinc/38/97/45/172389745.db2.gz AXNDIPUMDGBWPR-MRVPVSSYSA-N 0 0 252.770 4.157 10 0 CIAERN C[C@H](Nc1ccc(Br)cn1)c1cccs1 ZINC000035737168 172390392 /nfs/dbraw/zinc/39/03/92/172390392.db2.gz UEEGKFRICQGHIV-QMMMGPOBSA-N 0 0 283.194 4.079 10 0 CIAERN C[C@@H](Nc1ccc(Br)cn1)c1cccs1 ZINC000035737169 172390765 /nfs/dbraw/zinc/39/07/65/172390765.db2.gz UEEGKFRICQGHIV-MRVPVSSYSA-N 0 0 283.194 4.079 10 0 CIAERN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1ccco1 ZINC000035738834 172392610 /nfs/dbraw/zinc/39/26/10/172392610.db2.gz XZOIKEHUQVGSCH-OLZOCXBDSA-N 0 0 259.349 4.090 10 0 CIAERN Cc1ccc2sc(N[C@@H](C)c3ccco3)nc2c1 ZINC000035739636 172394337 /nfs/dbraw/zinc/39/43/37/172394337.db2.gz RHJANOKJIAACTL-JTQLQIEISA-N 0 0 258.346 4.371 10 0 CIAERN COC(=O)C[C@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000035741087 172395100 /nfs/dbraw/zinc/39/51/00/172395100.db2.gz KHVDUINCVKUUBL-NSHDSACASA-N 0 0 266.406 4.028 10 0 CIAERN CCCSCC(=O)c1cc(Cl)ccc1Cl ZINC000036179872 172497940 /nfs/dbraw/zinc/49/79/40/172497940.db2.gz HGVYVBOPBVXCGJ-UHFFFAOYSA-N 0 0 263.189 4.319 10 0 CIAERN Clc1nccc2cc(OCc3ccccc3)ccc21 ZINC000036257985 172550343 /nfs/dbraw/zinc/55/03/43/172550343.db2.gz AWWMQSVEBVAAIF-UHFFFAOYSA-N 0 0 269.731 4.467 10 0 CIAERN Cc1n[nH]c(C)c1N[C@@H](CC(C)C)c1ccccc1 ZINC000036736004 172666015 /nfs/dbraw/zinc/66/60/15/172666015.db2.gz AGATYJVISMXRHQ-HNNXBMFYSA-N 0 0 257.381 4.226 10 0 CIAERN CCCC[C@H](CC)COc1ccc(C(N)=S)cc1F ZINC000036887597 172783139 /nfs/dbraw/zinc/78/31/39/172783139.db2.gz JXFBYBXNRCTADX-NSHDSACASA-N 0 0 283.412 4.055 10 0 CIAERN C[C@@H](CC(=O)Nc1ccc(Cl)cc1N)CC(C)(C)C ZINC000036889261 172783942 /nfs/dbraw/zinc/78/39/42/172783942.db2.gz REAOVIUGSPTMJW-JTQLQIEISA-N 0 0 282.815 4.323 10 0 CIAERN CC(=O)Nc1ccc(F)c(N[C@H](C)CCC(C)C)c1 ZINC000036918706 172804555 /nfs/dbraw/zinc/80/45/55/172804555.db2.gz MUKCCDMJQSBBOC-LLVKDONJSA-N 0 0 266.360 4.021 10 0 CIAERN COC(=O)c1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1C ZINC000036941223 172818001 /nfs/dbraw/zinc/81/80/01/172818001.db2.gz HTHKDKZMPNDFOX-GXFFZTMASA-N 0 0 281.783 4.117 10 0 CIAERN CCCCC[C@H](C)Nc1ccccc1-n1cccn1 ZINC000037023756 172888042 /nfs/dbraw/zinc/88/80/42/172888042.db2.gz ZYKMAHYQYUDRCZ-AWEZNQCLSA-N 0 0 257.381 4.253 10 0 CIAERN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)c(C)c1O ZINC000037130544 172974327 /nfs/dbraw/zinc/97/43/27/172974327.db2.gz XKNZQLFYYBVYSE-LBPRGKRZSA-N 0 0 259.324 4.321 10 0 CIAERN Nc1ccc(SCc2ccc(Cl)cc2Cl)nc1 ZINC000037191832 173021291 /nfs/dbraw/zinc/02/12/91/173021291.db2.gz ZTNLWXIHTCCJAN-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN Cc1cc(N)ccc1SCc1nc2ccccc2o1 ZINC000037193688 173023228 /nfs/dbraw/zinc/02/32/28/173023228.db2.gz AIUKWFRQNQWPST-UHFFFAOYSA-N 0 0 270.357 4.011 10 0 CIAERN Nc1ccc(SCc2ccc(F)cc2Cl)c(F)c1 ZINC000037194577 173024104 /nfs/dbraw/zinc/02/41/04/173024104.db2.gz JRMDOAYFCDZZMO-UHFFFAOYSA-N 0 0 285.746 4.493 10 0 CIAERN Cc1ccc(CNc2cccc3cccnc32)cc1C ZINC000037195778 173024430 /nfs/dbraw/zinc/02/44/30/173024430.db2.gz YBKYMHARHUDAHL-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN CO[C@@H]1CCCC[C@@H]1Nc1ccccc1C(F)(F)F ZINC000037196432 173024522 /nfs/dbraw/zinc/02/45/22/173024522.db2.gz FSSBXLAGTFDRBT-QWHCGFSZSA-N 0 0 273.298 4.075 10 0 CIAERN CNc1ccccc1-c1nc2cc(C)ccc2s1 ZINC000037204423 173026939 /nfs/dbraw/zinc/02/69/39/173026939.db2.gz PNIHUVVTEXKIEN-UHFFFAOYSA-N 0 0 254.358 4.313 10 0 CIAERN COc1cc(C)ccc1[C@@H](C)Nc1ccccc1F ZINC000037211297 173032662 /nfs/dbraw/zinc/03/26/62/173032662.db2.gz BWJMVNRYHRWERM-GFCCVEGCSA-N 0 0 259.324 4.316 10 0 CIAERN Cc1cc(C)c([C@H](C)Nc2ccc(F)cc2)c(C)n1 ZINC000037210657 173033198 /nfs/dbraw/zinc/03/31/98/173033198.db2.gz OBOQPGLBTBHRQG-ZDUSSCGKSA-N 0 0 258.340 4.319 10 0 CIAERN Cc1cc(C)c(C)c(Oc2ccc(F)cc2CO)c1 ZINC000037235339 173053152 /nfs/dbraw/zinc/05/31/52/173053152.db2.gz RGPKBCXDEHCOMX-UHFFFAOYSA-N 0 0 260.308 4.036 10 0 CIAERN Fc1ccc(Cl)cc1N[C@H]1CCc2ccccc2C1 ZINC000037256747 173067921 /nfs/dbraw/zinc/06/79/21/173067921.db2.gz OPCJMMNPDISHGW-AWEZNQCLSA-N 0 0 275.754 4.449 10 0 CIAERN COc1cc(C)ccc1[C@@H](C)N[C@@H](C)c1ccco1 ZINC000037260451 173070587 /nfs/dbraw/zinc/07/05/87/173070587.db2.gz OOCYCENHPSRMSE-OLZOCXBDSA-N 0 0 259.349 4.008 10 0 CIAERN FC(F)Sc1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000037271151 173082069 /nfs/dbraw/zinc/08/20/69/173082069.db2.gz TXURWFSHLRIRCH-JIMOISOXSA-N 0 0 267.344 4.378 10 0 CIAERN Cc1ncsc1[C@H](C)Nc1cccc2cnccc21 ZINC000037277757 173087982 /nfs/dbraw/zinc/08/79/82/173087982.db2.gz RXBHPWLXQYNATC-NSHDSACASA-N 0 0 269.373 4.173 10 0 CIAERN CC(C)[C@H](Nc1ccc(N(C)C)nc1)c1cccs1 ZINC000037283850 173091122 /nfs/dbraw/zinc/09/11/22/173091122.db2.gz IPRXAWKFXUGLKN-HNNXBMFYSA-N 0 0 275.421 4.018 10 0 CIAERN COc1ccc2ccccc2c1CNc1cccc(O)c1 ZINC000037290071 173095328 /nfs/dbraw/zinc/09/53/28/173095328.db2.gz VLJDIHHIRNFIHS-UHFFFAOYSA-N 0 0 279.339 4.166 10 0 CIAERN Cc1ccc(-n2nc(C(C)C)c(C=O)c2Cl)c(C)c1 ZINC000037295447 173099315 /nfs/dbraw/zinc/09/93/15/173099315.db2.gz CSCAPVRVRSUFFT-UHFFFAOYSA-N 0 0 276.767 4.078 10 0 CIAERN CC[C@@H](C)C[C@@H](CC)Nc1ccccc1C(=O)OC ZINC000037308213 173110803 /nfs/dbraw/zinc/11/08/03/173110803.db2.gz FCWSPKPLNNUHQW-CHWSQXEVSA-N 0 0 263.381 4.100 10 0 CIAERN CCn1c2ccccc2nc1-c1ccc(Cl)cc1O ZINC000037323739 173123890 /nfs/dbraw/zinc/12/38/90/173123890.db2.gz SGLDVVBALHXPCV-UHFFFAOYSA-N 0 0 272.735 4.082 10 0 CIAERN CC(=O)CCCOc1ccccc1-c1ccccc1 ZINC000037329970 173130973 /nfs/dbraw/zinc/13/09/73/173130973.db2.gz CBNXTPRNMZOJPR-UHFFFAOYSA-N 0 0 254.329 4.102 10 0 CIAERN Cc1cccc(N)c1NC(=O)c1c(Cl)cccc1Cl ZINC000037331069 173132356 /nfs/dbraw/zinc/13/23/56/173132356.db2.gz YYGJIOKRWHQQIE-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN C[C@@H](C(=O)c1ccc(Cl)s1)n1cnc2ccccc21 ZINC000037340758 173142326 /nfs/dbraw/zinc/14/23/26/173142326.db2.gz AQKDNMOBAFVOIT-VIFPVBQESA-N 0 0 290.775 4.195 10 0 CIAERN Cc1cc(C)c(C(=O)COC2CCCCC2)cc1C ZINC000037346258 173143207 /nfs/dbraw/zinc/14/32/07/173143207.db2.gz QBCHRALOGKXHAN-UHFFFAOYSA-N 0 0 260.377 4.144 10 0 CIAERN O=C(CO[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000037344720 173143462 /nfs/dbraw/zinc/14/34/62/173143462.db2.gz JREMLTBVUNIPKF-OAHLLOKOSA-N 0 0 272.369 4.025 10 0 CIAERN Cc1cccc(C)c1OCC(=O)c1cccc(Cl)c1 ZINC000037347092 173144018 /nfs/dbraw/zinc/14/40/18/173144018.db2.gz UYWDEHHJCMBNOT-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN CC(C)CCc1noc(N)c1-c1c(F)cccc1Cl ZINC000037349962 173144454 /nfs/dbraw/zinc/14/44/54/173144454.db2.gz HULRIUVKNSYXGT-UHFFFAOYSA-N 0 0 282.746 4.305 10 0 CIAERN CC[C@@H](C)c1[nH]nc(N)c1-c1ccc(C(C)C)cc1 ZINC000037349596 173144705 /nfs/dbraw/zinc/14/47/05/173144705.db2.gz WRTWANOVCUBARW-LLVKDONJSA-N 0 0 257.381 4.296 10 0 CIAERN CCCc1ccc(C(=O)c2cc(C)ccc2C)cc1 ZINC000037357008 173147446 /nfs/dbraw/zinc/14/74/46/173147446.db2.gz IHHBRJXOPWWPSP-UHFFFAOYSA-N 0 0 252.357 4.487 10 0 CIAERN CCc1ccc(C(=O)c2ccccc2OC(F)F)s1 ZINC000037360064 173150362 /nfs/dbraw/zinc/15/03/62/173150362.db2.gz OKNYGHSDENVPJG-UHFFFAOYSA-N 0 0 282.311 4.143 10 0 CIAERN CCc1cccc2c(C(=O)C3CCCCC3)c[nH]c21 ZINC000037361695 173151240 /nfs/dbraw/zinc/15/12/40/173151240.db2.gz BMRNAKHPYOXUEH-UHFFFAOYSA-N 0 0 255.361 4.493 10 0 CIAERN COc1ccc(F)cc1C(=O)c1c(Cl)cccc1Cl ZINC000037362393 173151390 /nfs/dbraw/zinc/15/13/90/173151390.db2.gz KRAVNZPKESDJLO-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN COc1ccc(F)cc1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000037362418 173151594 /nfs/dbraw/zinc/15/15/94/173151594.db2.gz WJFDDTNBSKFFDI-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN Cc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1C ZINC000037362243 173151821 /nfs/dbraw/zinc/15/18/21/173151821.db2.gz OSXQMUKKSOIGGF-UHFFFAOYSA-N 0 0 268.356 4.322 10 0 CIAERN Cc1cccc(C(=O)c2ccc(OC(C)C)cc2)c1 ZINC000037362260 173151899 /nfs/dbraw/zinc/15/18/99/173151899.db2.gz GTTKUNYGTPLRGM-UHFFFAOYSA-N 0 0 254.329 4.013 10 0 CIAERN CCC[C@H](C)C(=O)c1cc2c(cc1Cl)OCCCO2 ZINC000037364554 173154051 /nfs/dbraw/zinc/15/40/51/173154051.db2.gz FVOITHUKNDJRAD-JTQLQIEISA-N 0 0 282.767 4.120 10 0 CIAERN Cc1ccsc1CC(=O)c1nc2ccccc2s1 ZINC000037373365 173162718 /nfs/dbraw/zinc/16/27/18/173162718.db2.gz XRYZTKPGQSPESY-UHFFFAOYSA-N 0 0 273.382 4.092 10 0 CIAERN O=C(Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000037378187 173166676 /nfs/dbraw/zinc/16/66/76/173166676.db2.gz KKKQGHWKBQAUJF-UHFFFAOYSA-N 0 0 265.139 4.419 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2F)c(N)c1 ZINC000037401372 173178407 /nfs/dbraw/zinc/17/84/07/173178407.db2.gz VXMZAFFISSQPHN-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc(Cl)cc2)n1 ZINC000037409146 173185760 /nfs/dbraw/zinc/18/57/60/173185760.db2.gz XXMCXNSFBJFVIR-UHFFFAOYSA-N 0 0 267.159 4.403 10 0 CIAERN Cc1cc(Oc2cccc(F)c2N)cc(C)c1Cl ZINC000037420394 173197415 /nfs/dbraw/zinc/19/74/15/173197415.db2.gz SLGYBYVCSVYFBH-UHFFFAOYSA-N 0 0 265.715 4.470 10 0 CIAERN Cc1ccc(Cl)c(Oc2cccc(F)c2N)c1 ZINC000037420391 173197813 /nfs/dbraw/zinc/19/78/13/173197813.db2.gz KELRRWQMNXUZAX-UHFFFAOYSA-N 0 0 251.688 4.162 10 0 CIAERN Fc1cccc(Cn2c3cccc(F)c3[nH]c2=S)c1 ZINC000037422421 173198642 /nfs/dbraw/zinc/19/86/42/173198642.db2.gz KLZVZWBNDIZTGR-UHFFFAOYSA-N 0 0 276.311 4.025 10 0 CIAERN CCCn1c2ccc(C)cc2nc1-c1sccc1N ZINC000037438211 173208790 /nfs/dbraw/zinc/20/87/90/173208790.db2.gz YBIQPJILUYJKEN-UHFFFAOYSA-N 0 0 271.389 4.065 10 0 CIAERN CCCn1c2ccc(F)cc2nc1-c1ccc(C)c(N)c1 ZINC000037439632 173209864 /nfs/dbraw/zinc/20/98/64/173209864.db2.gz NQVMBZNSGWBBKE-UHFFFAOYSA-N 0 0 283.350 4.143 10 0 CIAERN CCn1c2ccc(Cl)cc2nc1-c1ccc(C)c(N)c1 ZINC000037440466 173210125 /nfs/dbraw/zinc/21/01/25/173210125.db2.gz RGDWGPZZZMSANE-UHFFFAOYSA-N 0 0 285.778 4.267 10 0 CIAERN CCn1c(-c2cccc(O)c2)nc2cccc(Cl)c21 ZINC000037444524 173212361 /nfs/dbraw/zinc/21/23/61/173212361.db2.gz VUKIUMHNJVRSDL-UHFFFAOYSA-N 0 0 272.735 4.082 10 0 CIAERN CCCc1cc(Cl)nc(-c2cccc(Cl)c2)n1 ZINC000037504369 173240147 /nfs/dbraw/zinc/24/01/47/173240147.db2.gz ODFWNPHRBXRWGK-UHFFFAOYSA-N 0 0 267.159 4.403 10 0 CIAERN Cc1cc(Cl)nc(-c2c(Cl)cccc2Cl)n1 ZINC000037504399 173240194 /nfs/dbraw/zinc/24/01/94/173240194.db2.gz UMIYGJNQGRBBNS-UHFFFAOYSA-N 0 0 273.550 4.412 10 0 CIAERN Cc1cc(Cl)c2cccc(OCC(F)(F)F)c2n1 ZINC000037507585 173241988 /nfs/dbraw/zinc/24/19/88/173241988.db2.gz RLJQPJPRHPTRFQ-UHFFFAOYSA-N 0 0 275.657 4.138 10 0 CIAERN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(O)Cc1ccccc1F ZINC000037529860 173252997 /nfs/dbraw/zinc/25/29/97/173252997.db2.gz PKZPACQMOILPAM-JLJPHGGASA-N 0 0 264.384 4.192 10 0 CIAERN Cc1ccc(C(=O)Cc2cccc(Br)c2)cc1 ZINC000037531885 173253236 /nfs/dbraw/zinc/25/32/36/173253236.db2.gz AVTSMNGDTRSYDD-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN CCc1ccc([C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000037532610 173253781 /nfs/dbraw/zinc/25/37/81/173253781.db2.gz VFAMHXBZFNMPIX-MRXNPFEDSA-N 0 0 260.764 4.179 10 0 CIAERN CCc1ccc([C@H](O)Cc2ccc(Cl)cc2)cc1 ZINC000037532608 173253956 /nfs/dbraw/zinc/25/39/56/173253956.db2.gz CXGNHQPTZHPXCI-MRXNPFEDSA-N 0 0 260.764 4.179 10 0 CIAERN CCc1cccc(C)c1NCc1ccc(F)cc1F ZINC000037763810 173690218 /nfs/dbraw/zinc/69/02/18/173690218.db2.gz APUJADQUICILSZ-UHFFFAOYSA-N 0 0 261.315 4.448 10 0 CIAERN C[C@@H](Nc1ccc(-c2nccs2)cc1)C1(C)CC1 ZINC000037765938 173694351 /nfs/dbraw/zinc/69/43/51/173694351.db2.gz FGKBAUSPWUESMI-LLVKDONJSA-N 0 0 258.390 4.411 10 0 CIAERN CCOc1ccc(N[C@@H]2CCCC[C@H]2OC)cc1Cl ZINC000037773409 173705643 /nfs/dbraw/zinc/70/56/43/173705643.db2.gz ZSJSKJKAFHXJLU-UKRRQHHQSA-N 0 0 283.799 4.108 10 0 CIAERN c1cc(NC[C@H]2CC=CCC2)cc(N2CCCC2)c1 ZINC000037775231 173707342 /nfs/dbraw/zinc/70/73/42/173707342.db2.gz NXYSOBINFBYFFR-HNNXBMFYSA-N 0 0 256.393 4.055 10 0 CIAERN C[C@H]1CCC[C@H](Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000037776543 173707910 /nfs/dbraw/zinc/70/79/10/173707910.db2.gz NJVICMBKTWLGPU-UWVGGRQHSA-N 0 0 273.298 4.418 10 0 CIAERN CCCOc1ccc(N[C@H](C)C2CC2)cc1Cl ZINC000037780723 173710974 /nfs/dbraw/zinc/71/09/74/173710974.db2.gz LYDYMUKRFNUDIY-SNVBAGLBSA-N 0 0 253.773 4.339 10 0 CIAERN O[C@@H](CNc1cccc(Cl)c1Cl)c1ccccc1 ZINC000037870983 173816184 /nfs/dbraw/zinc/81/61/84/173816184.db2.gz YQYIHGFDBCQWEG-ZDUSSCGKSA-N 0 0 282.170 4.139 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2Cl)c(F)c1 ZINC000037902342 173833354 /nfs/dbraw/zinc/83/33/54/173833354.db2.gz DRQGYKWLKXDIIE-MRVPVSSYSA-N 0 0 284.689 4.464 10 0 CIAERN C[C@@H](C(=O)c1ccc(Cl)cc1Cl)N1CCC[C@H]1C ZINC000037911696 173844537 /nfs/dbraw/zinc/84/45/37/173844537.db2.gz GCRVBZVYMZMVEN-ZJUUUORDSA-N 0 0 286.202 4.049 10 0 CIAERN CCc1c(C)nc(-c2ccc(C)cc2C)nc1Cl ZINC000038004079 173965887 /nfs/dbraw/zinc/96/58/87/173965887.db2.gz QVHZUYYYLKZKLL-UHFFFAOYSA-N 0 0 260.768 4.285 10 0 CIAERN Cc1ccc(N[C@H](C)c2cccc(Br)c2)nc1 ZINC000038012656 173982494 /nfs/dbraw/zinc/98/24/94/173982494.db2.gz DHLVHHVAGRLWAZ-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN Cc1c(Cl)cccc1Nc1c(F)cc(N)cc1F ZINC000038039961 174039444 /nfs/dbraw/zinc/03/94/44/174039444.db2.gz PNERJAACSFULGQ-UHFFFAOYSA-N 0 0 268.694 4.252 10 0 CIAERN Nc1cc(F)c(Sc2nc3ccccc3s2)c(F)c1 ZINC000038040394 174040230 /nfs/dbraw/zinc/04/02/30/174040230.db2.gz PQWCTXGADSVLJP-UHFFFAOYSA-N 0 0 294.351 4.308 10 0 CIAERN CC(C)Oc1ccc(Nc2c(F)cc(N)cc2F)cc1 ZINC000038040034 174040582 /nfs/dbraw/zinc/04/05/82/174040582.db2.gz XXUFSCMOQMFWRK-UHFFFAOYSA-N 0 0 278.302 4.078 10 0 CIAERN CNc1ccc(OCCSc2ccc(C)cc2)cc1 ZINC000038056762 174067565 /nfs/dbraw/zinc/06/75/65/174067565.db2.gz GTPXIGCGWJJBCS-UHFFFAOYSA-N 0 0 273.401 4.208 10 0 CIAERN CNc1ccc(OCCSc2ccc(F)cc2)cc1 ZINC000038057066 174068019 /nfs/dbraw/zinc/06/80/19/174068019.db2.gz MRNWWMSFKONZCI-UHFFFAOYSA-N 0 0 277.364 4.039 10 0 CIAERN COc1ccc(Cl)cc1-c1cccc(C(C)=O)c1 ZINC000038069674 174080869 /nfs/dbraw/zinc/08/08/69/174080869.db2.gz OUYDRFIZMDNIDF-UHFFFAOYSA-N 0 0 260.720 4.218 10 0 CIAERN CCC(=O)c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038071901 174082798 /nfs/dbraw/zinc/08/27/98/174082798.db2.gz LNZOIOLOHRJPOY-UHFFFAOYSA-N 0 0 258.292 4.094 10 0 CIAERN CCC[C@](O)(c1ccccc1)c1ccccc1Cl ZINC000038078292 174088803 /nfs/dbraw/zinc/08/88/03/174088803.db2.gz XNJLCAVNHQGMOI-INIZCTEOSA-N 0 0 260.764 4.376 10 0 CIAERN Cc1ccc(CC(=O)c2ccccc2Br)cc1 ZINC000038126963 174131427 /nfs/dbraw/zinc/13/14/27/174131427.db2.gz RMDRBQROHQJCBV-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN Clc1ccc(Cc2nc(Cl)cc(Cl)n2)cc1 ZINC000038438720 174141308 /nfs/dbraw/zinc/14/13/08/174141308.db2.gz QUCAZLKDSKITRU-UHFFFAOYSA-N 0 0 273.550 4.028 10 0 CIAERN O=c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccn21 ZINC000039188983 174164766 /nfs/dbraw/zinc/16/47/66/174164766.db2.gz IJHNTSMHNUJLFY-UHFFFAOYSA-N 0 0 298.345 4.029 10 0 CIAERN CC1(C)[C@@]2(c3ccccc3)N=Cc3ccccc3[C@@]12C ZINC000039172274 174165136 /nfs/dbraw/zinc/16/51/36/174165136.db2.gz MGDVPYFFVJRRLO-RBUKOAKNSA-N 0 0 261.368 4.312 10 0 CIAERN Cc1cc(OC23CC4CC(CC(C4)C2)C3)cc(C)c1N ZINC000039239921 174166729 /nfs/dbraw/zinc/16/67/29/174166729.db2.gz ARKHPTIEDCDAAD-UHFFFAOYSA-N 0 0 271.404 4.233 10 0 CIAERN CC(=O)[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000039258215 174167633 /nfs/dbraw/zinc/16/76/33/174167633.db2.gz QBUHTILKEWKIBR-OAHLLOKOSA-N 0 0 258.748 4.255 10 0 CIAERN CC[C@]12CCC3=C(CCc4cc(OC)ccc43)[C@H]1CC[C@@H]2O ZINC000039251861 174167713 /nfs/dbraw/zinc/16/77/13/174167713.db2.gz VOVSXUVLXBTVLM-AABGKKOBSA-N 0 0 298.426 4.356 10 0 CIAERN Fc1cccc2c(N3CCc4ccccc43)ccnc12 ZINC000039963707 174179583 /nfs/dbraw/zinc/17/95/83/174179583.db2.gz WQJUFQLJFKTSBO-UHFFFAOYSA-N 0 0 264.303 4.068 10 0 CIAERN Cc1cccc(Nc2ccnc3c(F)cccc23)c1 ZINC000039963712 174179847 /nfs/dbraw/zinc/17/98/47/174179847.db2.gz GURLKYIMUSWKGE-UHFFFAOYSA-N 0 0 252.292 4.426 10 0 CIAERN Cc1cc(OCCn2cnc3ccccc32)ccc1Cl ZINC000040223924 174207647 /nfs/dbraw/zinc/20/76/47/174207647.db2.gz GGQCIKWNKWBUOP-UHFFFAOYSA-N 0 0 286.762 4.077 10 0 CIAERN CSc1ccc(CNc2cccc(F)c2F)cc1 ZINC000040230177 174209180 /nfs/dbraw/zinc/20/91/80/174209180.db2.gz IUHBHCGAVDCYMF-UHFFFAOYSA-N 0 0 265.328 4.299 10 0 CIAERN COc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040244106 174214057 /nfs/dbraw/zinc/21/40/57/174214057.db2.gz NYWSNOWCNNBPRP-CQSZACIVSA-N 0 0 283.154 4.084 10 0 CIAERN CCOc1ccc([C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040244457 174214377 /nfs/dbraw/zinc/21/43/77/174214377.db2.gz AKJJIDVUPOMERL-HNNXBMFYSA-N 0 0 297.181 4.474 10 0 CIAERN CCOc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040244470 174214380 /nfs/dbraw/zinc/21/43/80/174214380.db2.gz SJJJTXKMMIACFW-OAHLLOKOSA-N 0 0 297.181 4.474 10 0 CIAERN O[C@@H](c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000040245125 174214645 /nfs/dbraw/zinc/21/46/45/174214645.db2.gz NMKGDRPFJKZGMN-QGZVFWFLSA-N 0 0 266.365 4.497 10 0 CIAERN CC[C@@H](C)c1ccc([C@H](O)c2ccc(F)cc2)cc1 ZINC000040246648 174215072 /nfs/dbraw/zinc/21/50/72/174215072.db2.gz CZRKXVSCXMXMMG-PXAZEXFGSA-N 0 0 258.336 4.421 10 0 CIAERN O[C@@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000040247517 174215189 /nfs/dbraw/zinc/21/51/89/174215189.db2.gz LFDRCVUDMCXQJV-LLVKDONJSA-N 0 0 259.157 4.137 10 0 CIAERN CC(C)(C)c1ccc([C@@H](O)c2ccccc2F)cc1 ZINC000040254178 174216058 /nfs/dbraw/zinc/21/60/58/174216058.db2.gz YTPZEMNGTLDBMT-MRXNPFEDSA-N 0 0 258.336 4.205 10 0 CIAERN CCCCCCn1c2cc(C)c(C)cc2nc1CCCO ZINC000040310915 174230666 /nfs/dbraw/zinc/23/06/66/174230666.db2.gz MEYODKXRHZOOFJ-UHFFFAOYSA-N 0 0 288.435 4.158 10 0 CIAERN Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409564 174253981 /nfs/dbraw/zinc/25/39/81/174253981.db2.gz SBTKBIRZVWGGGW-UHFFFAOYSA-N 0 0 280.249 4.005 10 0 CIAERN COCCn1c2ccc(Cl)cc2nc1-c1cccs1 ZINC000040404814 174254013 /nfs/dbraw/zinc/25/40/13/174254013.db2.gz UFSGMUYFUHMUFH-UHFFFAOYSA-N 0 0 292.791 4.065 10 0 CIAERN Cn1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040417047 174255850 /nfs/dbraw/zinc/25/58/50/174255850.db2.gz XBMLKHYTXUPBEG-UHFFFAOYSA-N 0 0 291.181 4.471 10 0 CIAERN Cc1cccc(OCc2nc3cc(Cl)ccc3n2C)c1 ZINC000040417079 174256074 /nfs/dbraw/zinc/25/60/74/174256074.db2.gz PYHANMSBZWJXBO-UHFFFAOYSA-N 0 0 286.762 4.114 10 0 CIAERN CC(C)Cn1c2cc(Cl)ccc2nc1C(C)C ZINC000040417659 174256127 /nfs/dbraw/zinc/25/61/27/174256127.db2.gz BALIYODBDRXUQI-UHFFFAOYSA-N 0 0 250.773 4.469 10 0 CIAERN CCN(c1cccc2ccccc21)c1ncnc(Cl)c1N ZINC000040571686 174338438 /nfs/dbraw/zinc/33/84/38/174338438.db2.gz GETBHSCMTTZTBZ-UHFFFAOYSA-N 0 0 298.777 4.023 10 0 CIAERN CCCCCOc1ccc(NC(=O)C=C(C)C)cc1 ZINC000040868735 174426660 /nfs/dbraw/zinc/42/66/60/174426660.db2.gz ITTVFMXZQZRNQY-UHFFFAOYSA-N 0 0 261.365 4.160 10 0 CIAERN Nc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000040894111 174428810 /nfs/dbraw/zinc/42/88/10/174428810.db2.gz UBSWRMISRNGXSU-UHFFFAOYSA-N 0 0 255.214 4.094 10 0 CIAERN Cc1ccc(N(C)c2nc(Cl)nc3ccccc32)cc1 ZINC000040977207 174444942 /nfs/dbraw/zinc/44/49/42/174444942.db2.gz CKZYZMNGKAKNSW-UHFFFAOYSA-N 0 0 283.762 4.360 10 0 CIAERN Cc1ccc2c(NC(=O)c3ccccc3)ccnc2c1C ZINC000041057986 174465493 /nfs/dbraw/zinc/46/54/93/174465493.db2.gz SRPKXILYUZQMQB-UHFFFAOYSA-N 0 0 276.339 4.104 10 0 CIAERN O=C1CCCC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000041327592 174523898 /nfs/dbraw/zinc/52/38/98/174523898.db2.gz YRSJYOQSYNWOIV-JTQLQIEISA-N 0 0 257.160 4.295 10 0 CIAERN Cc1ccccc1C[C@H](CO)Cc1cccc(Cl)c1 ZINC000041412286 174549146 /nfs/dbraw/zinc/54/91/46/174549146.db2.gz SVIDLAUKKNCUKU-OAHLLOKOSA-N 0 0 274.791 4.042 10 0 CIAERN Cc1cccc(-c2c(N)n[nH]c2-c2ccc(Cl)cc2)c1 ZINC000041457592 174554712 /nfs/dbraw/zinc/55/47/12/174554712.db2.gz CJQUZGNRHUNLTM-UHFFFAOYSA-N 0 0 283.762 4.288 10 0 CIAERN CC(C)Cc1noc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000041460329 174555313 /nfs/dbraw/zinc/55/53/13/174555313.db2.gz GAPSDKTWGBDKKC-UHFFFAOYSA-N 0 0 285.174 4.429 10 0 CIAERN C[C@H](Nc1cc(N)cc(F)c1)c1ccc(Cl)s1 ZINC000042586504 174809058 /nfs/dbraw/zinc/80/90/58/174809058.db2.gz NZXSWUWQLMDKFG-ZETCQYMHSA-N 0 0 270.760 4.296 10 0 CIAERN CCc1ccc(C(O)c2ccc(CC)s2)s1 ZINC000043640359 175084505 /nfs/dbraw/zinc/08/45/05/175084505.db2.gz VRUHSUVEAXXGJF-UHFFFAOYSA-N 0 0 252.404 4.016 10 0 CIAERN CC(C)c1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000043656545 175085681 /nfs/dbraw/zinc/08/56/81/175085681.db2.gz MAVWDNJZFFFQSC-SFHVURJKSA-N 0 0 254.373 4.476 10 0 CIAERN C[C@@H]1CCC(=O)[C@@H](Cc2sccc2Br)C1 ZINC000043676118 175088280 /nfs/dbraw/zinc/08/82/80/175088280.db2.gz QNWASXSDZQYULU-RKDXNWHRSA-N 0 0 287.222 4.058 10 0 CIAERN Fc1ccc(OCc2cc(Br)cs2)cc1 ZINC000043687538 175094844 /nfs/dbraw/zinc/09/48/44/175094844.db2.gz JXNIKWOIRNXWPM-UHFFFAOYSA-N 0 0 287.153 4.229 10 0 CIAERN CC(C)CCCOCc1cc(Br)cs1 ZINC000043687610 175095068 /nfs/dbraw/zinc/09/50/68/175095068.db2.gz SOVJXYZRUZCXMX-UHFFFAOYSA-N 0 0 277.227 4.463 10 0 CIAERN Cc1cc(-c2ccccc2C(F)(F)F)nc(Cl)n1 ZINC000044119565 175142020 /nfs/dbraw/zinc/14/20/20/175142020.db2.gz DRKRMJPBAQPVGB-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN Cc1cccc(-c2csc(Br)c2)c1 ZINC000044121016 175142654 /nfs/dbraw/zinc/14/26/54/175142654.db2.gz NEFVFZLDQULWMT-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN CCCc1cc(Cl)nc(Cc2ccccc2Cl)n1 ZINC000044266178 175158083 /nfs/dbraw/zinc/15/80/83/175158083.db2.gz WCWJAMXIQUUTPW-UHFFFAOYSA-N 0 0 281.186 4.327 10 0 CIAERN CC(C)CN(c1ccc(C(F)(F)F)cc1N)C(C)C ZINC000044415114 175173054 /nfs/dbraw/zinc/17/30/54/175173054.db2.gz ADKAPNCZQZRDBQ-UHFFFAOYSA-N 0 0 274.330 4.158 10 0 CIAERN CNc1ccc(OCc2cc(Br)cs2)cc1 ZINC000044471142 175177973 /nfs/dbraw/zinc/17/79/73/175177973.db2.gz WAFRGPUWZCVFHB-UHFFFAOYSA-N 0 0 298.205 4.131 10 0 CIAERN CCOC(=O)c1c(N)sc(-c2ccccc2Cl)c1C ZINC000045246079 175336285 /nfs/dbraw/zinc/33/62/85/175336285.db2.gz ZEPRJTIROOGJSN-UHFFFAOYSA-N 0 0 295.791 4.136 10 0 CIAERN C[C@@]1(C2=CCc3ccccc32)Cc2ccccc2C1=O ZINC000045298756 175354401 /nfs/dbraw/zinc/35/44/01/175354401.db2.gz KATOSGRAMVZIGN-IBGZPJMESA-N 0 0 260.336 4.071 10 0 CIAERN Clc1c2nc[nH]c2c(Cl)c(Cl)c1Cl ZINC000045348561 175361585 /nfs/dbraw/zinc/36/15/85/175361585.db2.gz ILWGGMUSEHTKEQ-UHFFFAOYSA-N 0 0 255.919 4.177 10 0 CIAERN COc1ccc(C(F)(F)F)cc1-c1ccccc1O ZINC000065340159 175710252 /nfs/dbraw/zinc/71/02/52/175710252.db2.gz DYUMRFSAVLTDRP-UHFFFAOYSA-N 0 0 268.234 4.087 10 0 CIAERN COc1cc(-c2cccc3ccccc32)ccc1O ZINC000065342727 175712411 /nfs/dbraw/zinc/71/24/11/175712411.db2.gz AWBITUJXWFXJBR-UHFFFAOYSA-N 0 0 250.297 4.221 10 0 CIAERN COc1cc(-c2ccccc2C(F)(F)F)ccc1O ZINC000065342760 175712413 /nfs/dbraw/zinc/71/24/13/175712413.db2.gz TUEQXJXUHONWFX-UHFFFAOYSA-N 0 0 268.234 4.087 10 0 CIAERN Cc1cccc(OCc2ccc(Br)cc2F)c1 ZINC000070236499 175882906 /nfs/dbraw/zinc/88/29/06/175882906.db2.gz GDLSFAMAUOPOMO-UHFFFAOYSA-N 0 0 295.151 4.476 10 0 CIAERN Cc1cc(Br)ccc1OCC1CCCC1 ZINC000071136813 176036408 /nfs/dbraw/zinc/03/64/08/176036408.db2.gz BDSGZRQIPGQWSR-UHFFFAOYSA-N 0 0 269.182 4.327 10 0 CIAERN CC(=O)c1c(F)cccc1Oc1cc(F)ccc1F ZINC000071167875 176049465 /nfs/dbraw/zinc/04/94/65/176049465.db2.gz SOCJVHQPCCDCRJ-UHFFFAOYSA-N 0 0 266.218 4.099 10 0 CIAERN Cc1ccc(O)c(C(=O)c2cnc3cc(C)c(C)cc3c2)c1 ZINC000071185266 176059818 /nfs/dbraw/zinc/05/98/18/176059818.db2.gz WVYOQVSNBUNVBY-UHFFFAOYSA-N 0 0 291.350 4.097 10 0 CIAERN Cc1c(C)c(N[C@@H](C)c2cccc(F)c2)nnc1Cl ZINC000071186841 176060196 /nfs/dbraw/zinc/06/01/96/176060196.db2.gz YEOBQWQRTRTSJD-JTQLQIEISA-N 0 0 279.746 4.059 10 0 CIAERN Cc1c(C)c(N[C@H](C)c2cccc(F)c2)nnc1Cl ZINC000071186842 176060319 /nfs/dbraw/zinc/06/03/19/176060319.db2.gz YEOBQWQRTRTSJD-SNVBAGLBSA-N 0 0 279.746 4.059 10 0 CIAERN CNc1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000071297014 176112036 /nfs/dbraw/zinc/11/20/36/176112036.db2.gz QLWFXLJVGCECSV-UHFFFAOYSA-N 0 0 258.321 4.144 10 0 CIAERN CCc1cccc(CC)c1NC1=NC[C@H](C2CC2)S1 ZINC000071306735 176115922 /nfs/dbraw/zinc/11/59/22/176115922.db2.gz HZFRNLVSBPFBED-CQSZACIVSA-N 0 0 274.433 4.105 10 0 CIAERN Cc1ccc(-c2cc(Cl)nc(Cl)n2)c(C)c1 ZINC000071574524 176201368 /nfs/dbraw/zinc/20/13/68/176201368.db2.gz FHCBXYIGHPVMAN-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN Cc1ccc([C@@H](C)Nc2nccc(C3CCCC3)n2)nc1 ZINC000071614063 176233521 /nfs/dbraw/zinc/23/35/21/176233521.db2.gz LHODPIGSFBDRPS-CYBMUJFWSA-N 0 0 282.391 4.011 10 0 CIAERN OCc1cccc(-c2ccc(-c3cccc(CO)c3)s2)c1 ZINC000071792098 176263362 /nfs/dbraw/zinc/26/33/62/176263362.db2.gz SZRCFLQGPGAIAS-UHFFFAOYSA-N 0 0 296.391 4.067 10 0 CIAERN Clc1ccc2[nH]cc(/C=C/c3cccnc3)c2c1 ZINC000072106051 176316316 /nfs/dbraw/zinc/31/63/16/176316316.db2.gz NOZCKAAWPKPCNO-ONEGZZNKSA-N 0 0 254.720 4.387 10 0 CIAERN Cc1cccc(-c2ccsc2Br)c1 ZINC000072191894 176336114 /nfs/dbraw/zinc/33/61/14/176336114.db2.gz YMHRTSSSYXWKEH-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN Clc1cccc(-n2nccc2-c2cccs2)c1 ZINC000072190497 176336281 /nfs/dbraw/zinc/33/62/81/176336281.db2.gz GIPIFUSQEVHSQM-UHFFFAOYSA-N 0 0 260.749 4.254 10 0 CIAERN FC(F)(F)c1cccc(-c2cc(Cl)nc(Cl)n2)c1 ZINC000072193237 176336856 /nfs/dbraw/zinc/33/68/56/176336856.db2.gz JANTZIAVXHLNLN-UHFFFAOYSA-N 0 0 293.075 4.469 10 0 CIAERN CCN(CC)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000072260375 176351604 /nfs/dbraw/zinc/35/16/04/176351604.db2.gz XXMAILWYTIWSEP-UHFFFAOYSA-N 0 0 292.386 4.220 10 0 CIAERN C(=C/c1ccnc(N2CCc3ccccc32)n1)\c1ccccc1 ZINC000072443622 176403894 /nfs/dbraw/zinc/40/38/94/176403894.db2.gz GHHFIYQTIGZGNO-ZHACJKMWSA-N 0 0 299.377 4.341 10 0 CIAERN S=c1cc(-c2ccncc2)nc(-c2cccc(Cl)c2)[nH]1 ZINC000073695446 176486352 /nfs/dbraw/zinc/48/63/52/176486352.db2.gz XKLZYVMHCJBCMI-UHFFFAOYSA-N 0 0 299.786 4.148 10 0 CIAERN O=C(CCOc1cccc2ccccc21)c1ccccc1 ZINC000077311537 177251408 /nfs/dbraw/zinc/25/14/08/177251408.db2.gz OIHULGYJXLUIFC-UHFFFAOYSA-N 0 0 276.335 4.492 10 0 in-vitro CIAERN CC[C@H](C)OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000078772434 177384775 /nfs/dbraw/zinc/38/47/75/177384775.db2.gz KJVVABVZXDOCQP-KBPBESRZSA-N 0 0 262.393 4.330 10 0 CIAERN C[C@@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(Cl)s1 ZINC000185529531 262663310 /nfs/dbraw/zinc/66/33/10/262663310.db2.gz JFVAWYFLVRGCMF-SNVBAGLBSA-N 0 0 298.839 4.048 10 0 CIAERN Clc1ccccc1OCCc1nc(C2CCCC2)no1 ZINC000171790830 335080184 /nfs/dbraw/zinc/08/01/84/335080184.db2.gz FVNOWEPIWGVBRD-UHFFFAOYSA-N 0 0 292.766 4.002 10 0 CIAERN CC(C)[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000171918655 335084723 /nfs/dbraw/zinc/08/47/23/335084723.db2.gz MWFGOLOUDPCNPH-NEPJUHHUSA-N 0 0 267.800 4.152 10 0 CIAERN Cc1nc(C(C)C)oc1CSc1nnc(C2CC2)s1 ZINC000333242012 228194615 /nfs/dbraw/zinc/19/46/15/228194615.db2.gz IPWLAWWOSMVWGW-UHFFFAOYSA-N 0 0 295.433 4.128 10 0 CIAERN Cc1ccc(C[C@@H](C)C(=O)N[C@H](C)c2cccs2)cc1 ZINC000179956863 260082653 /nfs/dbraw/zinc/08/26/53/260082653.db2.gz QPAFPGXBINQVJB-ZIAGYGMSSA-N 0 0 287.428 4.113 10 0 CIAERN c1coc(CNC2c3ccccc3CCc3ccccc32)c1 ZINC000179970593 260084390 /nfs/dbraw/zinc/08/43/90/260084390.db2.gz ATOBNQAYULQASL-UHFFFAOYSA-N 0 0 289.378 4.257 10 0 CIAERN C[C@H]1C[C@H](C(=O)N2CCc3sccc3C2)CC(C)(C)C1 ZINC000182769855 260085794 /nfs/dbraw/zinc/08/57/94/260085794.db2.gz RJCUYAQFPVJRNS-JSGCOSHPSA-N 0 0 291.460 4.095 10 0 CIAERN Cc1ccsc1[C@H](C)Nc1cn(C)nc1C(C)C ZINC000305894303 260103941 /nfs/dbraw/zinc/10/39/41/260103941.db2.gz WWYLIXVFYYACDM-NSHDSACASA-N 0 0 263.410 4.087 10 0 CIAERN Cc1cc([C@H](C)Nc2c(F)c(F)nc(F)c2F)c(C)o1 ZINC000080918162 260182034 /nfs/dbraw/zinc/18/20/34/260182034.db2.gz AIMXTJUDKUQYSC-LURJTMIESA-N 0 0 288.244 4.021 10 0 CIAERN CCC(=O)Nc1ccc(NCC2CCC(C)CC2)cc1 ZINC000089575990 260188796 /nfs/dbraw/zinc/18/87/96/260188796.db2.gz AXIIVEKVOQNUJW-UHFFFAOYSA-N 0 0 274.408 4.273 10 0 CIAERN CCn1nc(C)c([C@H](C)Nc2cccc(C)c2F)c1C ZINC000312818750 260207433 /nfs/dbraw/zinc/20/74/33/260207433.db2.gz SKXGKLMUGZROSX-NSHDSACASA-N 0 0 275.371 4.140 10 0 CIAERN CC(C)c1ccc([C@@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)cc1 ZINC000086735749 260209721 /nfs/dbraw/zinc/20/97/21/260209721.db2.gz MVSIKTHHUBLZMT-NVPAJSRCSA-N 0 0 289.419 4.104 10 0 CIAERN CC(C)(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086962568 260211110 /nfs/dbraw/zinc/21/11/10/260211110.db2.gz XNFBUFDUZUAYOU-PYBGIAKNSA-N 0 0 295.467 4.214 10 0 CIAERN CCc1ccc([C@H](C)Nc2nc(C3CC3)ns2)cc1 ZINC000087640847 260216161 /nfs/dbraw/zinc/21/61/61/260216161.db2.gz FCOJWJIOHHOZDM-JTQLQIEISA-N 0 0 273.405 4.151 10 0 CIAERN CC[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000088733326 260234445 /nfs/dbraw/zinc/23/44/45/260234445.db2.gz DWYVMFVLQZWCDD-MRXNPFEDSA-N 0 0 278.355 4.049 10 0 CIAERN CCCn1ccc(CNc2cccc3ncccc32)c1 ZINC000091009104 260264433 /nfs/dbraw/zinc/26/44/33/260264433.db2.gz KSGBSTAHPLNEFD-UHFFFAOYSA-N 0 0 265.360 4.058 10 0 CIAERN CCn1nc(C)c([C@@H](C)Nc2cc(C)cc(F)c2)c1C ZINC000091510940 260266637 /nfs/dbraw/zinc/26/66/37/260266637.db2.gz PFHBJZWWLZHLMJ-LLVKDONJSA-N 0 0 275.371 4.140 10 0 CIAERN CC[C@H](SCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000156486503 261123780 /nfs/dbraw/zinc/12/37/80/261123780.db2.gz BPNSUEQXQPVLPO-AWEZNQCLSA-N 0 0 287.432 4.077 10 0 CIAERN CCCCc1nc(CSCc2nccn2CC)cs1 ZINC000175293233 261216584 /nfs/dbraw/zinc/21/65/84/261216584.db2.gz LTRNVOXIEHMRKB-UHFFFAOYSA-N 0 0 295.477 4.136 10 0 CIAERN CC(C)n1ccnc1CSCc1cc(F)ccc1F ZINC000175290556 261219156 /nfs/dbraw/zinc/21/91/56/261219156.db2.gz LPVVTCONDNWJMI-UHFFFAOYSA-N 0 0 282.359 4.176 10 0 CIAERN CCn1ccnc1CS[C@H](C)c1cccc(C)c1 ZINC000175301401 261220851 /nfs/dbraw/zinc/22/08/51/261220851.db2.gz ITUVWZXZLUKIPS-CYBMUJFWSA-N 0 0 260.406 4.206 10 0 CIAERN Cc1ccc(Br)cc1N[C@@H](C)c1cncs1 ZINC000162803288 261295009 /nfs/dbraw/zinc/29/50/09/261295009.db2.gz FTNYBZFFWVKURH-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN Cc1cc(Cl)ccc1N[C@@H](C)c1cncs1 ZINC000162958095 261300953 /nfs/dbraw/zinc/30/09/53/261300953.db2.gz DWEKGNGJQTTYCB-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN C[C@H](C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000163822422 261331388 /nfs/dbraw/zinc/33/13/88/261331388.db2.gz KIZBBTYZIMUBBO-FPMFFAJLSA-N 0 0 299.336 4.027 10 0 CIAERN C[C@H](CNc1ccc(Cl)cn1)c1cccs1 ZINC000301467422 261334990 /nfs/dbraw/zinc/33/49/90/261334990.db2.gz YEPOWSBHDMGFOW-SECBINFHSA-N 0 0 252.770 4.012 10 0 CIAERN Cc1cnc(N[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000302119274 261347306 /nfs/dbraw/zinc/34/73/06/261347306.db2.gz CXEDJZZPXFYTIZ-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN Cc1cnc(N[C@H](C)c2ccccc2Br)s1 ZINC000302096353 261347901 /nfs/dbraw/zinc/34/79/01/261347901.db2.gz JHKDBVBRNWCBQD-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cccc(C)c2Cl)o1 ZINC000168581176 261417795 /nfs/dbraw/zinc/41/77/95/261417795.db2.gz OUYYFJNOIQOMFG-NSHDSACASA-N 0 0 277.751 4.041 10 0 CIAERN CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000175756411 261621579 /nfs/dbraw/zinc/62/15/79/261621579.db2.gz ALLHKWNDZDBQNP-NWDGAFQWSA-N 0 0 280.437 4.028 10 0 CIAERN COc1ccsc1[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000186083133 262079352 /nfs/dbraw/zinc/07/93/52/262079352.db2.gz NHZLPILQYZCMAS-WDEREUQCSA-N 0 0 265.378 4.070 10 0 CIAERN Cc1sc2nc(C)nc(N[C@@H](C)C(C)C)c2c1C ZINC000311190195 262202712 /nfs/dbraw/zinc/20/27/12/262202712.db2.gz FCHFPSHYPLZSSF-VIFPVBQESA-N 0 0 263.410 4.073 10 0 CIAERN CCn1nc(C)c([C@@H](C)Nc2ccc(F)c(C)c2)c1C ZINC000061116651 262392708 /nfs/dbraw/zinc/39/27/08/262392708.db2.gz JWIGCMMKLPQZDK-LLVKDONJSA-N 0 0 275.371 4.140 10 0 CIAERN Cc1ccc([C@H](C)Nc2cc(Cl)nc(C3CC3)n2)o1 ZINC000131611822 264375060 /nfs/dbraw/zinc/37/50/60/264375060.db2.gz JMDDJHOARAVTAR-VIFPVBQESA-N 0 0 277.755 4.082 10 0 CIAERN C[C@@H](O)[C@H](C)Oc1ccc(-c2ccccc2)cc1Cl ZINC000094654885 265248834 /nfs/dbraw/zinc/24/88/34/265248834.db2.gz SZIDRBNPQXTWQZ-NEPJUHHUSA-N 0 0 276.763 4.155 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2cccc(F)c2)c1 ZINC000094854469 265257649 /nfs/dbraw/zinc/25/76/49/265257649.db2.gz YYOXPRFPJVXWRQ-SNVBAGLBSA-N 0 0 263.287 4.147 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2ccccc2OC)c1 ZINC000094854084 265259317 /nfs/dbraw/zinc/25/93/17/265259317.db2.gz AKPJDYKJHYNVMU-NSHDSACASA-N 0 0 275.323 4.016 10 0 CIAERN O=C(c1coc2ccccc12)N1CCC[C@@H]1c1ccco1 ZINC000116046904 267121010 /nfs/dbraw/zinc/12/10/10/267121010.db2.gz FAZLNLHOGKMVQM-CQSZACIVSA-N 0 0 281.311 4.003 10 0 CIAERN Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116043995 267121243 /nfs/dbraw/zinc/12/12/43/267121243.db2.gz MVPKZVVKNJHRAZ-NVXWUHKLSA-N 0 0 297.398 4.445 10 0 CIAERN Cc1cccc(C)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116477240 267153006 /nfs/dbraw/zinc/15/30/06/267153006.db2.gz RJTYCQFLJKMMRQ-AWEZNQCLSA-N 0 0 284.359 4.265 10 0 CIAERN Cc1ccc(F)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116475889 267153124 /nfs/dbraw/zinc/15/31/24/267153124.db2.gz OVNOOYZTEXEXII-CQSZACIVSA-N 0 0 288.322 4.096 10 0 CIAERN CC(C)[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000048851138 328325671 /nfs/dbraw/zinc/32/56/71/328325671.db2.gz BQWDIFNVOZCQCV-XHDPSFHLSA-N 0 0 294.826 4.135 10 0 CIAERN CC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(C)C ZINC000049091691 328336547 /nfs/dbraw/zinc/33/65/47/328336547.db2.gz BRCBHNNLSHYUAD-INIZCTEOSA-N 0 0 286.419 4.041 10 0 CIAERN Cc1cc(NCc2ccnc3ccccc23)ccc1F ZINC000111789025 328377963 /nfs/dbraw/zinc/37/79/63/328377963.db2.gz YULYYVKEOFBKQR-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN Cc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(C)c1Cl ZINC000442794728 328548324 /nfs/dbraw/zinc/54/83/24/328548324.db2.gz APEWNNFHGAXFQD-CFVMTHIKSA-N 0 0 279.811 4.182 10 0 CIAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2c2ccco2)CC(C)(C)C1 ZINC000180581643 326852487 /nfs/dbraw/zinc/85/24/87/326852487.db2.gz MGWQFZQJJHGBKB-QLFBSQMISA-N 0 0 289.419 4.406 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CC1CCC1 ZINC000173337200 332969474 /nfs/dbraw/zinc/96/94/74/332969474.db2.gz BDLZGNYLUOUAPY-NSHDSACASA-N 0 0 265.784 4.050 10 0 CIAERN C[C@H](CC1CCCC1)C(=O)N[C@H](C)c1cccs1 ZINC000172088845 327480055 /nfs/dbraw/zinc/48/00/55/327480055.db2.gz KGFKELQZVGUSNI-VXGBXAGGSA-N 0 0 265.422 4.142 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2cccs2)c1 ZINC000094855170 328626886 /nfs/dbraw/zinc/62/68/86/328626886.db2.gz PRPAHQWFYLRKEO-SECBINFHSA-N 0 0 251.326 4.069 10 0 CIAERN CC[C@H](Cc1ccccc1)Nc1ccccc1COC ZINC000116383750 328694057 /nfs/dbraw/zinc/69/40/57/328694057.db2.gz OBWKMKCQEXSBDZ-QGZVFWFLSA-N 0 0 269.388 4.266 10 0 CIAERN c1coc([C@@H]2CCCN2Cc2nc3ccccc3s2)c1 ZINC000172030912 329083636 /nfs/dbraw/zinc/08/36/36/329083636.db2.gz SLEQXRAZQDSGHQ-ZDUSSCGKSA-N 0 0 284.384 4.226 10 0 CIAERN CCCCC[C@@H](C)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000173444313 329146918 /nfs/dbraw/zinc/14/69/18/329146918.db2.gz WKENBCDSQJQUTP-GDBMZVCRSA-N 0 0 291.439 4.070 10 0 CIAERN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H]1c1ccco1 ZINC000177684195 329189025 /nfs/dbraw/zinc/18/90/25/329189025.db2.gz WNBWSMSMTHXBHB-QWHCGFSZSA-N 0 0 288.391 4.463 10 0 CIAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)O1 ZINC000178060783 329192097 /nfs/dbraw/zinc/19/20/97/329192097.db2.gz RROFYMYRCOCZAK-BDJLRTHQSA-N 0 0 295.338 4.092 10 0 CIAERN CC1(C)CCC[C@H](C(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000178927327 329203248 /nfs/dbraw/zinc/20/32/48/329203248.db2.gz PRQXEXLNIQAIPA-KBPBESRZSA-N 0 0 275.392 4.160 10 0 CIAERN Cc1cnc([C@H](C)NCc2cccc(Cl)c2Cl)o1 ZINC000220925974 329204099 /nfs/dbraw/zinc/20/40/99/329204099.db2.gz PXELESZBAPMAMR-VIFPVBQESA-N 0 0 285.174 4.141 10 0 CIAERN Cc1cc(C)n(-c2cccc(N[C@@H](C)c3ccccn3)c2)n1 ZINC000179612725 329210485 /nfs/dbraw/zinc/21/04/85/329210485.db2.gz XSRPHHJMPODNJE-HNNXBMFYSA-N 0 0 292.386 4.057 10 0 CIAERN C[C@H]1CC(C(=O)N2CCC[C@@H]2c2ccco2)C[C@H](C)C1 ZINC000180581441 329221112 /nfs/dbraw/zinc/22/11/12/329221112.db2.gz RHDSBMVNDSVFBY-UMVBOHGHSA-N 0 0 275.392 4.015 10 0 CIAERN CC(=O)c1ccc(N[C@@H](C)c2ccc(Cl)s2)nc1 ZINC000180974877 329224743 /nfs/dbraw/zinc/22/47/43/329224743.db2.gz WHZRKYQWHFZKQA-QMMMGPOBSA-N 0 0 280.780 4.172 10 0 CIAERN CC(=O)c1ccc(N[C@H]2CC[C@@H](C)c3ccccc32)nc1 ZINC000181233895 329227197 /nfs/dbraw/zinc/22/71/97/329227197.db2.gz GJTSQXJRNQCEAR-PXAZEXFGSA-N 0 0 280.371 4.335 10 0 CIAERN CC[C@H]([NH2+]C[C@H](C)OC)c1ccc(Cl)cc1Cl ZINC000223980792 329241578 /nfs/dbraw/zinc/24/15/78/329241578.db2.gz YCYURHISHPNKJE-ZANVPECISA-N 0 0 276.207 4.069 10 0 CIAERN C[C@@H]1C[C@@H](CNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000582921956 329289333 /nfs/dbraw/zinc/28/93/33/329289333.db2.gz TXNPZJZXDMEHDS-ILWJIGKKSA-N 0 0 289.206 4.004 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)c2coc(C)c2)o1 ZINC000187311468 329355126 /nfs/dbraw/zinc/35/51/26/329355126.db2.gz VNTHCCBSYXDZCK-OAHLLOKOSA-N 0 0 287.359 4.111 10 0 CIAERN CC1(CC(=O)N2CCC[C@H]2c2ccco2)CCCCC1 ZINC000124128563 329567021 /nfs/dbraw/zinc/56/70/21/329567021.db2.gz VIUHIKCRGVTDID-AWEZNQCLSA-N 0 0 275.392 4.304 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)o1 ZINC000127615466 329601297 /nfs/dbraw/zinc/60/12/97/329601297.db2.gz WOODSWAUOOJAFR-HNNXBMFYSA-N 0 0 287.334 4.095 10 0 CIAERN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000263415844 330054774 /nfs/dbraw/zinc/05/47/74/330054774.db2.gz NGCSYLFDRPQVKG-FZKQIMNGSA-N 0 0 295.382 4.113 10 0 CIAERN CCCCN(CC)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000079336068 330224143 /nfs/dbraw/zinc/22/41/43/330224143.db2.gz KTNSTTADCPRJEX-SNVBAGLBSA-N 0 0 288.844 4.294 10 0 CIAERN Clc1cccc(-c2noc(-c3ccc4c(c3)CCN4)n2)c1 ZINC000036925257 330313995 /nfs/dbraw/zinc/31/39/95/330313995.db2.gz SNPQLKQBIIIADP-UHFFFAOYSA-N 0 0 297.745 4.025 10 0 CIAERN CCC(=O)Nc1ccc(C)c(N[C@H](C)CC(C)C)c1 ZINC000036935680 330314761 /nfs/dbraw/zinc/31/47/61/330314761.db2.gz IFJAKVBMIRHHAG-CYBMUJFWSA-N 0 0 262.397 4.190 10 0 CIAERN CCOC[C@@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044689435 330331943 /nfs/dbraw/zinc/33/19/43/330331943.db2.gz HGMWGVJMHVLFEU-RKDXNWHRSA-N 0 0 294.197 4.208 10 0 CIAERN Cc1[nH]c2c(cccc2C(=O)N[C@H](C)c2cccs2)c1C ZINC000044915552 330333856 /nfs/dbraw/zinc/33/38/56/330333856.db2.gz MTNMALLLUSTEMG-GFCCVEGCSA-N 0 0 298.411 4.337 10 0 CIAERN CCc1cccc(N[C@@H](C)c2c(C)nn(CC)c2C)c1 ZINC000045167719 330340619 /nfs/dbraw/zinc/34/06/19/330340619.db2.gz UEMZQIXGMORFSN-LBPRGKRZSA-N 0 0 271.408 4.255 10 0 CIAERN CCC1CCC(NC(=O)c2sccc2SC)CC1 ZINC000107106678 330345351 /nfs/dbraw/zinc/34/53/51/330345351.db2.gz OYISCZAHBFIMPW-UHFFFAOYSA-N 0 0 283.462 4.169 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1nc2ccccc2nc1C ZINC000055373473 330364751 /nfs/dbraw/zinc/36/47/51/330364751.db2.gz GDDYDQZEUGJRCZ-CYBMUJFWSA-N 0 0 277.371 4.420 10 0 CIAERN CC[C@@H](NCc1cc(Cl)cs1)c1nccs1 ZINC000086332917 330369443 /nfs/dbraw/zinc/36/94/43/330369443.db2.gz ZKOYPVAUMXEZLJ-SNVBAGLBSA-N 0 0 272.826 4.099 10 0 CIAERN CCC1(CC)CNc2ccc(OC(F)(F)F)cc21 ZINC000232920544 330381890 /nfs/dbraw/zinc/38/18/90/330381890.db2.gz FMDNAUFNLHKXLL-UHFFFAOYSA-N 0 0 259.271 4.069 10 0 CIAERN CCCSCCCCCCNC(=O)OC(C)(C)C ZINC000536952523 330382567 /nfs/dbraw/zinc/38/25/67/330382567.db2.gz CIZJKZHBPCQELW-UHFFFAOYSA-N 0 0 275.458 4.215 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)o1 ZINC000120202528 330386149 /nfs/dbraw/zinc/38/61/49/330386149.db2.gz GZRAMVJOCWUNOO-BEAPCOKYSA-N 0 0 290.407 4.012 10 0 CIAERN Cc1cc([C@H](C)Nc2cn(C)nc2C(C)C)c(C)s1 ZINC000336810450 330388875 /nfs/dbraw/zinc/38/88/75/330388875.db2.gz ZZEMLYRIMNLBNB-NSHDSACASA-N 0 0 277.437 4.395 10 0 CIAERN CCc1ccc([C@H](C)Nc2ccc(C(F)(F)F)nn2)cc1 ZINC000148616474 330566429 /nfs/dbraw/zinc/56/64/29/330566429.db2.gz SYFXPIBOWVNMTM-JTQLQIEISA-N 0 0 295.308 4.231 10 0 CIAERN Cc1nc(CN[C@H](C)c2ccc(CC(C)C)cc2)oc1C ZINC000154306485 330656481 /nfs/dbraw/zinc/65/64/81/330656481.db2.gz MVESDATULYNAKX-CQSZACIVSA-N 0 0 286.419 4.341 10 0 CIAERN Cc1ccoc1CNc1ccc(C(F)(F)F)cc1 ZINC000158187190 330827529 /nfs/dbraw/zinc/82/75/29/330827529.db2.gz GEIJHOFLAXJTOJ-UHFFFAOYSA-N 0 0 255.239 4.219 10 0 CIAERN COc1cccc(C)c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000194993296 331114499 /nfs/dbraw/zinc/11/44/99/331114499.db2.gz CQIQKGLKXLFUGL-CABCVRRESA-N 0 0 287.403 4.159 10 0 CIAERN CC[C@H](Nc1ccncc1Br)c1ccccc1 ZINC000163913620 331138837 /nfs/dbraw/zinc/13/88/37/331138837.db2.gz BXZXOJMQSBODTB-ZDUSSCGKSA-N 0 0 291.192 4.407 10 0 CIAERN Cc1cc(N2CCCC2)ccc1N[C@@H](C)c1cncs1 ZINC000164915197 331305464 /nfs/dbraw/zinc/30/54/64/331305464.db2.gz FBVJVVZPCYXUHF-ZDUSSCGKSA-N 0 0 287.432 4.225 10 0 CIAERN CC(C)N(C)c1ccc(N[C@H](C)c2cncs2)cc1F ZINC000165176597 331306044 /nfs/dbraw/zinc/30/60/44/331306044.db2.gz AIMKIYUDTULEBS-LLVKDONJSA-N 0 0 293.411 4.300 10 0 CIAERN COc1ccc(F)c(N[C@H]2CCc3cc(F)ccc32)c1 ZINC000165349445 331306163 /nfs/dbraw/zinc/30/61/63/331306163.db2.gz VKHDMRVPJZJYGW-HNNXBMFYSA-N 0 0 275.298 4.073 10 0 CIAERN C[C@@H](NC(=O)N(C)C1CCCC1)c1ccc2ccccc2c1 ZINC000172300815 335100088 /nfs/dbraw/zinc/10/00/88/335100088.db2.gz PAOWWZBEPPTSGP-CQSZACIVSA-N 0 0 296.414 4.485 10 0 CIAERN CCc1nc(C)cc(N[C@H](C)c2ccc(Cl)s2)n1 ZINC000306055034 333003723 /nfs/dbraw/zinc/00/37/23/333003723.db2.gz QRYRWQBAYVFIRK-SECBINFHSA-N 0 0 281.812 4.235 10 0 CIAERN Cc1ccc(/C=C/CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000176506174 333042682 /nfs/dbraw/zinc/04/26/82/333042682.db2.gz BDIQTQRHEJDTNH-LYKUJDHUSA-N 0 0 285.412 4.337 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2oc(C)cc2C)o1 ZINC000176875561 333049727 /nfs/dbraw/zinc/04/97/27/333049727.db2.gz IQMGOHYMEJZYDG-AWEZNQCLSA-N 0 0 287.359 4.165 10 0 CIAERN CC[C@H](Nc1ncc(C(F)(F)F)s1)C(C)C ZINC000310004407 333052698 /nfs/dbraw/zinc/05/26/98/333052698.db2.gz FZXGVVCYIHCYJV-ZETCQYMHSA-N 0 0 252.305 4.008 10 0 CIAERN C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1cccs1 ZINC000177125697 333053813 /nfs/dbraw/zinc/05/38/13/333053813.db2.gz DVXOJXOUWWZXDX-RFGFWPKPSA-N 0 0 292.448 4.172 10 0 CIAERN CCC[C@H]1CCCN(C(=O)N[C@H](C)c2cccs2)C1 ZINC000177125882 333053848 /nfs/dbraw/zinc/05/38/48/333053848.db2.gz MWVNUPBKUSJCKY-OLZOCXBDSA-N 0 0 280.437 4.031 10 0 CIAERN C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)c1cccs1 ZINC000177125723 333053976 /nfs/dbraw/zinc/05/39/76/333053976.db2.gz DVXOJXOUWWZXDX-RQJABVFESA-N 0 0 292.448 4.172 10 0 CIAERN O=C(Nc1ccsc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000177698390 333061967 /nfs/dbraw/zinc/06/19/67/333061967.db2.gz PXXXTTKMKYMXQZ-ZDUSSCGKSA-N 0 0 292.791 4.211 10 0 CIAERN CC[C@@H](C)CN(CC)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000178424229 333072669 /nfs/dbraw/zinc/07/26/69/333072669.db2.gz JZQZOAYMYCTWDL-VXGBXAGGSA-N 0 0 298.377 4.103 10 0 CIAERN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(C)c1O ZINC000178794333 333077797 /nfs/dbraw/zinc/07/77/97/333077797.db2.gz PNAICGQUWWPAFV-LSDHHAIUSA-N 0 0 287.403 4.164 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)cc1F ZINC000088233728 333087222 /nfs/dbraw/zinc/08/72/22/333087222.db2.gz DNQMNFGJHNDOTN-GFCCVEGCSA-N 0 0 296.345 4.106 10 0 CIAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC3(CC3)C2)cc1 ZINC000185336493 333139058 /nfs/dbraw/zinc/13/90/58/333139058.db2.gz APBPDICEAHIXMJ-ROUUACIJSA-N 0 0 297.442 4.316 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)CC(C)C)o1 ZINC000185408166 333140075 /nfs/dbraw/zinc/14/00/75/333140075.db2.gz HSNNMEQRYGGWFV-DZGCQCFKSA-N 0 0 277.408 4.324 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)CC(C)C)o1 ZINC000185408150 333140179 /nfs/dbraw/zinc/14/01/79/333140179.db2.gz HSNNMEQRYGGWFV-ZFWWWQNUSA-N 0 0 277.408 4.324 10 0 CIAERN C[C@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(Cl)s1 ZINC000185529514 333142980 /nfs/dbraw/zinc/14/29/80/333142980.db2.gz JFVAWYFLVRGCMF-JTQLQIEISA-N 0 0 298.839 4.048 10 0 CIAERN CCC1(C(=O)N[C@@H](C)c2cccs2)CCCCC1 ZINC000185572213 333144064 /nfs/dbraw/zinc/14/40/64/333144064.db2.gz NGLJDYJGDTZVHV-LBPRGKRZSA-N 0 0 265.422 4.286 10 0 CIAERN CCc1cccc(CN2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000188979128 333176907 /nfs/dbraw/zinc/17/69/07/333176907.db2.gz WHRSAFBKKYLJSQ-INIZCTEOSA-N 0 0 299.418 4.093 10 0 CIAERN O=C(c1ccc2cc[nH]c2c1)N1CCC=Cc2ccccc21 ZINC000190137379 333203534 /nfs/dbraw/zinc/20/35/34/333203534.db2.gz DNFQHKOGSXAVSV-UHFFFAOYSA-N 0 0 288.350 4.232 10 0 CIAERN CCc1cc(O)ccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000191069076 333214721 /nfs/dbraw/zinc/21/47/21/333214721.db2.gz AROSIMNGKJAVTH-CVEARBPZSA-N 0 0 287.403 4.110 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(Cl)s1 ZINC000193267952 333246888 /nfs/dbraw/zinc/24/68/88/333246888.db2.gz IHVPSRVXINGKRD-NSHDSACASA-N 0 0 293.819 4.130 10 0 CIAERN Clc1cc(N2CCC[C@H]3CCCC[C@H]32)nc(C2CC2)n1 ZINC000226126857 333251169 /nfs/dbraw/zinc/25/11/69/333251169.db2.gz YIUZUSGLYJYIJH-DGCLKSJQSA-N 0 0 291.826 4.166 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C(C)(C)c2ccccc2C)o1 ZINC000195476372 333253788 /nfs/dbraw/zinc/25/37/88/333253788.db2.gz BRKPWISZLRABJW-AWEZNQCLSA-N 0 0 285.387 4.051 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)C(C)(C)c2ccccc2C)o1 ZINC000195476375 333253830 /nfs/dbraw/zinc/25/38/30/333253830.db2.gz BRKPWISZLRABJW-CQSZACIVSA-N 0 0 285.387 4.051 10 0 CIAERN CCS[C@H]1CC[C@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000226804381 333269868 /nfs/dbraw/zinc/26/98/68/333269868.db2.gz CLPUKKQFQKNSSJ-QWRGUYRKSA-N 0 0 290.354 4.187 10 0 CIAERN Clc1csc(CN2CCC[C@H]2c2ccco2)c1 ZINC000194393197 333270618 /nfs/dbraw/zinc/27/06/18/333270618.db2.gz YLANBTWOJHJOEI-LBPRGKRZSA-N 0 0 267.781 4.332 10 0 CIAERN CC1(C)[C@H](Nc2ccc(C(F)(F)F)cc2)[C@@H]2CCCO[C@H]21 ZINC000227076632 333275666 /nfs/dbraw/zinc/27/56/66/333275666.db2.gz SDTQGTZZOPJURB-BFHYXJOUSA-N 0 0 299.336 4.321 10 0 CIAERN CCn1c(C)nnc1CSc1ccc(C(C)C)cc1 ZINC000194690723 333275715 /nfs/dbraw/zinc/27/57/15/333275715.db2.gz RMLVQSGMLMTCMH-UHFFFAOYSA-N 0 0 275.421 4.022 10 0 CIAERN c1cc2c(ccnc2N[C@H]2CCCc3ccccc32)o1 ZINC000227531655 333285194 /nfs/dbraw/zinc/28/51/94/333285194.db2.gz GVCQAVOPTADWMC-HNNXBMFYSA-N 0 0 264.328 4.317 10 0 CIAERN CC[C@@H](Nc1nccc2occc21)c1ccccc1 ZINC000230901908 333322449 /nfs/dbraw/zinc/32/24/49/333322449.db2.gz NLOQDPFBTDWAJP-CQSZACIVSA-N 0 0 252.317 4.391 10 0 CIAERN CCS[C@@H]1CC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000230922471 333322676 /nfs/dbraw/zinc/32/26/76/333322676.db2.gz YFPWGQRICIHSLA-UONOGXRCSA-N 0 0 272.417 4.321 10 0 CIAERN COc1cc(N[C@H](C)Cc2ccc(O)cc2)ccc1Cl ZINC000232198886 333334776 /nfs/dbraw/zinc/33/47/76/333334776.db2.gz VETCPJWRVKQHJM-LLVKDONJSA-N 0 0 291.778 4.097 10 0 CIAERN COCc1ccccc1NCc1ccccc1OC(C)C ZINC000037274835 333529571 /nfs/dbraw/zinc/52/95/71/333529571.db2.gz USAYVXCMLJGJIG-UHFFFAOYSA-N 0 0 285.387 4.232 10 0 CIAERN CC[C@H](SC)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000124108960 333556045 /nfs/dbraw/zinc/55/60/45/333556045.db2.gz LQAMUFGNPGEXAM-LRDDRELGSA-N 0 0 287.428 4.159 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2F)cc1F ZINC000128438771 333671888 /nfs/dbraw/zinc/67/18/88/333671888.db2.gz DWDIKSQFUSSJAH-LLVKDONJSA-N 0 0 290.313 4.156 10 0 CIAERN CCCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129926954 333799714 /nfs/dbraw/zinc/79/97/14/333799714.db2.gz ACWWROGMSVEHML-HNNXBMFYSA-N 0 0 287.403 4.129 10 0 CIAERN C[C@H](C1CC1)N(C(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000073432759 333972423 /nfs/dbraw/zinc/97/24/23/333972423.db2.gz HIKLEMQWRDCFQY-FZKQIMNGSA-N 0 0 298.430 4.037 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2c(Cl)cccc2Cl)o1 ZINC000078349485 334131930 /nfs/dbraw/zinc/13/19/30/334131930.db2.gz CBZIAIXNCAGVAZ-SECBINFHSA-N 0 0 298.169 4.386 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)C(C)C)o1 ZINC000079547490 334156701 /nfs/dbraw/zinc/15/67/01/334156701.db2.gz CFRRHIXIGSUJBA-WMLDXEAASA-N 0 0 285.387 4.205 10 0 CIAERN CC[C@@H]1CC[C@@H](Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000080427100 334171260 /nfs/dbraw/zinc/17/12/60/334171260.db2.gz LLBHUHOHGCWPHH-MLGOLLRUSA-N 0 0 272.392 4.026 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C/C=C/c2ccc(F)cc2)o1 ZINC000080550612 334172445 /nfs/dbraw/zinc/17/24/45/334172445.db2.gz LAWAXIRUHUMNKT-OOPCZODUSA-N 0 0 287.334 4.008 10 0 CIAERN CC[C@H](C)[C@H](C)N(C(=O)N[C@H](C)c1cccs1)C1CC1 ZINC000245427195 334192024 /nfs/dbraw/zinc/19/20/24/334192024.db2.gz GYRVZQDPYGSZMZ-XQQFMLRXSA-N 0 0 294.464 4.418 10 0 CIAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(Cl)s1 ZINC000245493857 334197201 /nfs/dbraw/zinc/19/72/01/334197201.db2.gz MIQYAQXAFCLEMS-QISWUMQESA-N 0 0 283.824 4.015 10 0 CIAERN CCc1nc([C@H](C)N[C@H]2c3ccccc3C[C@H]2C)cs1 ZINC000245598032 334206259 /nfs/dbraw/zinc/20/62/59/334206259.db2.gz DIVKCULNKWQKFL-BWACUDIHSA-N 0 0 286.444 4.290 10 0 CIAERN 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CCCCC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000128572412 519906878 /nfs/dbraw/zinc/90/68/78/519906878.db2.gz RXZMQXIQLVEMIA-CQSZACIVSA-N 0 0 263.381 4.086 10 0 CIAERN CC(C)n1c2cc(F)ccc2nc1-c1sccc1N ZINC000052125002 519925068 /nfs/dbraw/zinc/92/50/68/519925068.db2.gz ANMLRRVTJUBAHW-UHFFFAOYSA-N 0 0 275.352 4.067 10 0 CIAERN CC(C)n1cc(Nc2nc3cccc(Cl)c3s2)cn1 ZINC000061683844 519967424 /nfs/dbraw/zinc/96/74/24/519967424.db2.gz QOKLJKPAVXOTNR-UHFFFAOYSA-N 0 0 292.795 4.471 10 0 CIAERN CCCCCC[C@@H](C)Nc1c(F)cc(N)cc1F ZINC000049193874 520117682 /nfs/dbraw/zinc/11/76/82/520117682.db2.gz TYLNAGFZVJXLPU-SNVBAGLBSA-N 0 0 256.340 4.318 10 0 CIAERN CCCCCC[C@H](C)n1c(=S)[nH]nc1C1CC1 ZINC000049219540 520131939 /nfs/dbraw/zinc/13/19/39/520131939.db2.gz QOQHVTVANGQKCV-JTQLQIEISA-N 0 0 253.415 4.349 10 0 CIAERN CCCNc1ccc(COc2cccc(Cl)c2)cn1 ZINC000050831127 520160219 /nfs/dbraw/zinc/16/02/19/520160219.db2.gz SICDOXNKFGWQAB-UHFFFAOYSA-N 0 0 276.767 4.136 10 0 CIAERN CCCNc1ncccc1COc1ccc(Cl)cc1 ZINC000052734586 520196670 /nfs/dbraw/zinc/19/66/70/520196670.db2.gz GPHZNRAZDGJPDB-UHFFFAOYSA-N 0 0 276.767 4.136 10 0 CIAERN CCN[C@H](c1cccc(Cl)c1Cl)c1ncccc1C ZINC000055227275 520210655 /nfs/dbraw/zinc/21/06/55/520210655.db2.gz AYVSARCYPJULAT-OAHLLOKOSA-N 0 0 295.213 4.396 10 0 CIAERN CCNc1cc(C(F)F)nc2c(F)c(F)c(F)cc12 ZINC000061629727 520265754 /nfs/dbraw/zinc/26/57/54/520265754.db2.gz SHQFQEOXLCKHSV-UHFFFAOYSA-N 0 0 276.208 4.022 10 0 CIAERN CCNc1cc(C(F)(F)F)nc2c(C)c(F)ccc12 ZINC000050870995 520266318 /nfs/dbraw/zinc/26/63/18/520266318.db2.gz LEOFGJYVGGUJLL-UHFFFAOYSA-N 0 0 272.245 4.133 10 0 CIAERN CCCOc1ccc(-c2nc(C3CC3)sc2N)cc1 ZINC000052919759 520316525 /nfs/dbraw/zinc/31/65/25/520316525.db2.gz DYLTWYJLRBRKJK-UHFFFAOYSA-N 0 0 274.389 4.059 10 0 CIAERN CCNc1ncccc1COc1cc(Cl)cc(Cl)c1 ZINC000052755504 520377620 /nfs/dbraw/zinc/37/76/20/520377620.db2.gz GSJUBNLDXYZMJP-UHFFFAOYSA-N 0 0 297.185 4.399 10 0 CIAERN CCNc1ncccc1COc1cc(Cl)ccc1Cl ZINC000052734374 520377879 /nfs/dbraw/zinc/37/78/79/520377879.db2.gz PADDSKPNVJCDGT-UHFFFAOYSA-N 0 0 297.185 4.399 10 0 CIAERN CCCCN(c1nc(C)c(C(C)=O)s1)[C@H](C)CC ZINC000054863827 520552758 /nfs/dbraw/zinc/55/27/58/520552758.db2.gz ZEHBKHPKIDYXJE-SNVBAGLBSA-N 0 0 268.426 4.059 10 0 CIAERN CC1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000055233229 520957419 /nfs/dbraw/zinc/95/74/19/520957419.db2.gz QWCLWDFEDCWCLR-UHFFFAOYSA-N 0 0 258.283 4.103 10 0 CIAERN CCC[C@H](C)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000115363117 521010163 /nfs/dbraw/zinc/01/01/63/521010163.db2.gz LKLVKJTXIVQJLO-STQMWFEESA-N 0 0 280.437 4.023 10 0 CIAERN CCC[C@H](Nc1nc(C)cc(C)n1)c1cccs1 ZINC000049546006 521178876 /nfs/dbraw/zinc/17/88/76/521178876.db2.gz VUCKTPLHGKFGRP-LBPRGKRZSA-N 0 0 261.394 4.108 10 0 CIAERN CCCCc1nc(Cl)c(CN[C@H](C)c2cccs2)[nH]1 ZINC000088398793 521304147 /nfs/dbraw/zinc/30/41/47/521304147.db2.gz GOMIOUHAANXOIU-SNVBAGLBSA-N 0 0 297.855 4.318 10 0 CIAERN CCN(c1ccccc1)c1ccc(C(N)=S)cc1Cl ZINC000062795173 521500548 /nfs/dbraw/zinc/50/05/48/521500548.db2.gz DXYWKPVWYWGOLC-UHFFFAOYSA-N 0 0 290.819 4.132 10 0 CIAERN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000036960051 521572765 /nfs/dbraw/zinc/57/27/65/521572765.db2.gz WFPMLHWMHWJAQX-KGLIPLIRSA-N 0 0 273.376 4.399 10 0 CIAERN CCCN(CCC)c1ccc(C(C)=O)cc1Cl ZINC000061693576 521650217 /nfs/dbraw/zinc/65/02/17/521650217.db2.gz CAXYBBNBXNGZTJ-UHFFFAOYSA-N 0 0 253.773 4.169 10 0 CIAERN CCc1ccsc1CNc1cncc(Br)c1 ZINC000158022291 521998963 /nfs/dbraw/zinc/99/89/63/521998963.db2.gz SYXJJTZFIQHUFN-UHFFFAOYSA-N 0 0 297.221 4.080 10 0 CIAERN CCc1ccsc1CNc1ncc(Cl)cc1F ZINC000094882903 521999964 /nfs/dbraw/zinc/99/99/64/521999964.db2.gz QIIWTWDZUUAMNZ-UHFFFAOYSA-N 0 0 270.760 4.110 10 0 CIAERN CC[C@@H](C)c1ccccc1OCCCCC(N)=S ZINC000049582961 522435610 /nfs/dbraw/zinc/43/56/10/522435610.db2.gz BEJOAMLHPIMFEN-GFCCVEGCSA-N 0 0 265.422 4.035 10 0 CIAERN CC[C@@H](C)c1ccccc1Oc1ncnc(Cl)c1N ZINC000062364911 522439153 /nfs/dbraw/zinc/43/91/53/522439153.db2.gz QLSGABFFMDZVTG-SECBINFHSA-N 0 0 277.755 4.018 10 0 CIAERN CNc1cc(C(C)C)nc(-c2ccc(F)c(Cl)c2)n1 ZINC000062793283 522563174 /nfs/dbraw/zinc/56/31/74/522563174.db2.gz OOSIVXDQYWLEFK-UHFFFAOYSA-N 0 0 279.746 4.101 10 0 CIAERN COc1cc(F)cc2c(Cl)cc(C(C)C)nc12 ZINC000049570212 522597258 /nfs/dbraw/zinc/59/72/58/522597258.db2.gz LUKCZCULLLTTGK-UHFFFAOYSA-N 0 0 253.704 4.159 10 0 CIAERN CNc1ccc(COc2cc(Cl)cc(Cl)c2)cn1 ZINC000050833158 522611795 /nfs/dbraw/zinc/61/17/95/522611795.db2.gz DXURJOKZYQZCKJ-UHFFFAOYSA-N 0 0 283.158 4.009 10 0 CIAERN CNc1nc([C@@H]2CCC[C@H](C)C2)nc2sccc21 ZINC000050841425 522689409 /nfs/dbraw/zinc/68/94/09/522689409.db2.gz LLPWISKYEZKOMW-VHSXEESVSA-N 0 0 261.394 4.027 10 0 CIAERN CNc1ncccc1CSc1nc2ccccc2s1 ZINC000052755870 522711579 /nfs/dbraw/zinc/71/15/79/522711579.db2.gz CZTCKFPOEKGONW-UHFFFAOYSA-N 0 0 287.413 4.025 10 0 CIAERN CC[C@H](Nc1c(F)cc(N)cc1F)c1cccs1 ZINC000049529258 522761691 /nfs/dbraw/zinc/76/16/91/522761691.db2.gz AHGYWHSUEFDWKH-NSHDSACASA-N 0 0 268.332 4.172 10 0 CIAERN CC[C@@H](Nc1c(F)cc(N)cc1F)c1cccs1 ZINC000049529259 522953033 /nfs/dbraw/zinc/95/30/33/522953033.db2.gz AHGYWHSUEFDWKH-LLVKDONJSA-N 0 0 268.332 4.172 10 0 CIAERN COCc1ccccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069378359 523127642 /nfs/dbraw/zinc/12/76/42/523127642.db2.gz WFVNWJFZMFNGIF-STQMWFEESA-N 0 0 287.325 4.366 10 0 CIAERN COc1ccc(-c2ccc(Cl)cc2Cl)cc1N ZINC000049591158 523134294 /nfs/dbraw/zinc/13/42/94/523134294.db2.gz SZHOUWKIRKPBGQ-UHFFFAOYSA-N 0 0 268.143 4.251 10 0 CIAERN COc1ccc(C(=O)Cc2cccc(Cl)c2)cc1Cl ZINC000052944363 523593367 /nfs/dbraw/zinc/59/33/67/523593367.db2.gz AQIAPXHSYXGYJX-UHFFFAOYSA-N 0 0 295.165 4.427 10 0 CIAERN CCc1ccc(COc2cc(F)ccc2C(C)=O)s1 ZINC000062748196 523949279 /nfs/dbraw/zinc/94/92/79/523949279.db2.gz OXCUKANUYULAFH-UHFFFAOYSA-N 0 0 278.348 4.231 10 0 CIAERN CCc1ccc(C[C@H](O)Cc2ccc(Cl)cc2)s1 ZINC000053783410 523951710 /nfs/dbraw/zinc/95/17/10/523951710.db2.gz BADDNPYOWRKQKO-CYBMUJFWSA-N 0 0 280.820 4.110 10 0 CIAERN CCc1ccc(Oc2c(F)cc(C=O)cc2F)cc1 ZINC000062708655 524008726 /nfs/dbraw/zinc/00/87/26/524008726.db2.gz MBRTVMPMBUQQJF-UHFFFAOYSA-N 0 0 262.255 4.132 10 0 CIAERN CCc1ccc([C@@H](C)N[C@H](C)c2csc(C)n2)cc1 ZINC000036958558 524027410 /nfs/dbraw/zinc/02/74/10/524027410.db2.gz VCQCUCIKUAWKCC-VXGBXAGGSA-N 0 0 274.433 4.426 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@H]2C=CCC2)o1 ZINC000128523319 524053106 /nfs/dbraw/zinc/05/31/06/524053106.db2.gz RVZIIQGHHVXCKY-GOEBONIOSA-N 0 0 287.403 4.252 10 0 CIAERN Cc1ccc2oc(-c3cc(N)cc(C)c3C)nc2c1 ZINC000062349444 524086480 /nfs/dbraw/zinc/08/64/80/524086480.db2.gz NVRMKHQIOQCUBT-UHFFFAOYSA-N 0 0 252.317 4.002 10 0 CIAERN Cc1ccc(C)c(CSc2ccc(N)cc2C)c1 ZINC000049256927 524108820 /nfs/dbraw/zinc/10/88/20/524108820.db2.gz HVZBYSKPDXLCNK-UHFFFAOYSA-N 0 0 257.402 4.486 10 0 CIAERN Cc1ccc(C)c(C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000049257744 524110721 /nfs/dbraw/zinc/11/07/21/524110721.db2.gz ZLTPWLZUJVNONH-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN COc1ccc(COC2CCCCC2)cc1Br ZINC000049600842 524112626 /nfs/dbraw/zinc/11/26/26/524112626.db2.gz RKEYGTKDPJXPCL-UHFFFAOYSA-N 0 0 299.208 4.307 10 0 CIAERN C[C@@H]1CCCC[C@@H]1OCc1nc2sccc2c(Cl)n1 ZINC000050840829 524150430 /nfs/dbraw/zinc/15/04/30/524150430.db2.gz OWWKJUYBQDQHSN-KOLCDFICSA-N 0 0 296.823 4.440 10 0 CIAERN Cc1ccc(C)c([C@H](O)Cc2cccc(Cl)c2)c1 ZINC000052945431 524210286 /nfs/dbraw/zinc/21/02/86/524210286.db2.gz LKFFCRIKUXLNTR-MRXNPFEDSA-N 0 0 260.764 4.233 10 0 CIAERN Cc1cc(C)c(C(=O)CSC2CCCC2)cc1C ZINC000057406928 524220113 /nfs/dbraw/zinc/22/01/13/524220113.db2.gz HANOUONVRQPFKI-UHFFFAOYSA-N 0 0 262.418 4.470 10 0 CIAERN Cc1cccc(C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055199479 524227035 /nfs/dbraw/zinc/22/70/35/524227035.db2.gz HFEAHEALSFKOJF-UHFFFAOYSA-N 0 0 264.246 4.245 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2sc(C)nc2C)c1 ZINC000094855221 524294340 /nfs/dbraw/zinc/29/43/40/524294340.db2.gz LRFGJMUAPYQTMV-SECBINFHSA-N 0 0 280.368 4.081 10 0 CIAERN Cc1cccc(C)c1Nc1cccc(Cl)c1C(N)=S ZINC000052904194 524303492 /nfs/dbraw/zinc/30/34/92/524303492.db2.gz NQJGBFLHNMBNQO-UHFFFAOYSA-N 0 0 290.819 4.335 10 0 CIAERN Cc1cc(C)cc(CNc2ccc3ncccc3c2)c1 ZINC000054108172 524386525 /nfs/dbraw/zinc/38/65/25/524386525.db2.gz CYQBTUJZAVYGFW-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN Cc1cccc(C[C@H](O)c2cc(Cl)ccc2F)c1 ZINC000062143449 524470244 /nfs/dbraw/zinc/47/02/44/524470244.db2.gz WIULVPNKIANZCQ-HNNXBMFYSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@H](C)c1ccc(Cl)cc1 ZINC000049526025 524610247 /nfs/dbraw/zinc/61/02/47/524610247.db2.gz XAILMCJKUVGOIJ-LLVKDONJSA-N 0 0 261.752 4.180 10 0 CIAERN Cc1cccc(Nc2ccc(C(N)=S)cc2Cl)c1 ZINC000062795189 524700766 /nfs/dbraw/zinc/70/07/66/524700766.db2.gz VWLWURWGSARPPB-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN Cc1ccc(Cl)c(Oc2ccc(CO)cc2C)c1 ZINC000050561778 524716902 /nfs/dbraw/zinc/71/69/02/524716902.db2.gz IXUZZRRQIJDTSZ-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN Cc1cc(CNc2cccc(Cl)c2C)c(C)n1C ZINC000052789534 524790729 /nfs/dbraw/zinc/79/07/29/524790729.db2.gz 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4.158 10 0 CIAERN Cc1cc(F)ccc1Cc1sc(N)nc1C(C)(C)C ZINC000050266488 524983127 /nfs/dbraw/zinc/98/31/27/524983127.db2.gz NMILAAGJWAZSSS-UHFFFAOYSA-N 0 0 278.396 4.061 10 0 CIAERN Cc1cc(N)c(NC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000050439560 525032593 /nfs/dbraw/zinc/03/25/93/525032593.db2.gz SNSIUIQDUKMTPV-UHFFFAOYSA-N 0 0 289.766 4.183 10 0 CIAERN Cc1cc(N)ccc1SCc1ccc(F)cc1F ZINC000050884987 525039228 /nfs/dbraw/zinc/03/92/28/525039228.db2.gz IHCZRCOAUQVVSF-UHFFFAOYSA-N 0 0 265.328 4.148 10 0 CIAERN Cc1cc(N)cnc1Oc1cccc(C(C)(C)C)c1 ZINC000052813717 525041033 /nfs/dbraw/zinc/04/10/33/525041033.db2.gz DRJFWKVNONODLB-UHFFFAOYSA-N 0 0 256.349 4.062 10 0 CIAERN C[C@](O)(c1ccccc1)c1cccc(Cl)c1Cl ZINC000055190450 525188507 /nfs/dbraw/zinc/18/85/07/525188507.db2.gz NTPQVIAEWKNBRE-AWEZNQCLSA-N 0 0 267.155 4.249 10 0 CIAERN Cc1ccccc1NCCO[C@H](C)c1ccccc1 ZINC000053554420 525268689 /nfs/dbraw/zinc/26/86/89/525268689.db2.gz XMVGFBKIJJSWMN-OAHLLOKOSA-N 0 0 255.361 4.185 10 0 CIAERN Cc1cc(N[C@@H](c2cccs2)C(C)C)ccc1N ZINC000049555105 525295253 /nfs/dbraw/zinc/29/52/53/525295253.db2.gz LDUWCXPIUMYQRI-OAHLLOKOSA-N 0 0 260.406 4.448 10 0 CIAERN Cc1ccc(N[C@@H](C)c2ccccc2Cl)c(N)c1 ZINC000049506554 525309283 /nfs/dbraw/zinc/30/92/83/525309283.db2.gz MPCKNZXSZICALW-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(N[C@H](c2cccs2)C(C)C)c(N)c1 ZINC000049555098 525319049 /nfs/dbraw/zinc/31/90/49/525319049.db2.gz SXMRBHVUZRAVTR-HNNXBMFYSA-N 0 0 260.406 4.448 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2F)cc1N ZINC000061700994 525322682 /nfs/dbraw/zinc/32/26/82/525322682.db2.gz XYZVLBITEZTFPE-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Cc1cc(OCC(=O)OC(C)C)c(C(C)C)cc1Cl ZINC000047874061 525367185 /nfs/dbraw/zinc/36/71/85/525367185.db2.gz FLBUSEAKYMALBQ-UHFFFAOYSA-N 0 0 284.783 4.102 10 0 CIAERN Cc1cc(OCCc2ccccc2N)cc(C)c1Cl ZINC000052919034 525372451 /nfs/dbraw/zinc/37/24/51/525372451.db2.gz WSHNSYLXGSFVIT-UHFFFAOYSA-N 0 0 275.779 4.161 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)c1cccs1 ZINC000078035588 525412161 /nfs/dbraw/zinc/41/21/61/525412161.db2.gz IEZYPGNDVDJJDW-OLZOCXBDSA-N 0 0 273.401 4.037 10 0 CIAERN Cc1ccc(Oc2cc(Cl)nc(C3CC3)n2)cc1F ZINC000226417734 525471913 /nfs/dbraw/zinc/47/19/13/525471913.db2.gz VAJPOOVSAQZOSE-UHFFFAOYSA-N 0 0 278.714 4.247 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1nccs1 ZINC000070984327 525607398 /nfs/dbraw/zinc/60/73/98/525607398.db2.gz NQKKPTLLFOOVJK-DTWKUNHWSA-N 0 0 284.787 4.347 10 0 CIAERN C[C@H](Nc1ccc(F)cc1N)c1cccc(Cl)c1 ZINC000049515044 525652836 /nfs/dbraw/zinc/65/28/36/525652836.db2.gz YMSKORLIFKUFGB-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1cccc2c1CCCC2)c1nccs1 ZINC000086507679 525669462 /nfs/dbraw/zinc/66/94/62/525669462.db2.gz AUOVRIXGNKVABJ-NSHDSACASA-N 0 0 258.390 4.195 10 0 CIAERN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)cn2)o1 ZINC000274884401 525741423 /nfs/dbraw/zinc/74/14/23/525741423.db2.gz ICYVWXIBZKJGON-WDEREUQCSA-N 0 0 264.756 4.048 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc(N)cc2Cl)s1 ZINC000049153132 525751660 /nfs/dbraw/zinc/75/16/60/525751660.db2.gz QPQQVNVGMMGYDO-SECBINFHSA-N 0 0 266.797 4.465 10 0 CIAERN Cc1ccc([C@@H](C)Nc2nc(C(F)(F)F)cs2)o1 ZINC000269370739 525753962 /nfs/dbraw/zinc/75/39/62/525753962.db2.gz PIDJRWZKQZRTPK-SSDOTTSWSA-N 0 0 276.283 4.236 10 0 CIAERN Cc1ccc([C@@H](O)C2(c3ccccc3)CC2)cc1C ZINC000061618403 525777240 /nfs/dbraw/zinc/77/72/40/525777240.db2.gz WDSKFADTYRPMPN-QGZVFWFLSA-N 0 0 252.357 4.069 10 0 CIAERN Cc1ccc([C@@H](O)c2cc3ccccc3o2)c(C)c1 ZINC000062797246 525783927 /nfs/dbraw/zinc/78/39/27/525783927.db2.gz LGFHWPIITCVRPK-QGZVFWFLSA-N 0 0 252.313 4.131 10 0 CIAERN Cc1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1 ZINC000062772515 525816111 /nfs/dbraw/zinc/81/61/11/525816111.db2.gz YMHSUTSGQPGZGL-UHFFFAOYSA-N 0 0 272.710 4.398 10 0 CIAERN Cc1ccsc1C(=O)c1cccc(OC(C)C)c1 ZINC000061666077 525829695 /nfs/dbraw/zinc/82/96/95/525829695.db2.gz YDBGJYTWYHGQFF-UHFFFAOYSA-N 0 0 260.358 4.075 10 0 CIAERN Cc1ccc([C@@H]2CNc3cc(C)cc(C)c3O2)cc1 ZINC000062536729 525839519 /nfs/dbraw/zinc/83/95/19/525839519.db2.gz VPSUFTJJQIPGMQ-INIZCTEOSA-N 0 0 253.345 4.157 10 0 CIAERN C[C@H](O)c1ccc(Oc2ccccc2F)c(Cl)c1 ZINC000061697531 525858269 /nfs/dbraw/zinc/85/82/69/525858269.db2.gz MEJRAMCMNJOFRP-VIFPVBQESA-N 0 0 266.699 4.325 10 0 CIAERN C[C@H](O)c1ccccc1N[C@@H]1CCCc2sccc21 ZINC000061329000 525861669 /nfs/dbraw/zinc/86/16/69/525861669.db2.gz JTIHTADWZZAGKD-XHDPSFHLSA-N 0 0 273.401 4.291 10 0 CIAERN C[C@H](O)c1cnc(C2(c3ccccc3)CCCC2)s1 ZINC000062783074 525863346 /nfs/dbraw/zinc/86/33/46/525863346.db2.gz ZBHMVDVVLWNQMO-LBPRGKRZSA-N 0 0 273.401 4.057 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccccc2F)c(Cl)c1 ZINC000061697532 525868997 /nfs/dbraw/zinc/86/89/97/525868997.db2.gz MEJRAMCMNJOFRP-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN Cc1c(O)cccc1OCc1c(F)cccc1Cl ZINC000049345639 525881897 /nfs/dbraw/zinc/88/18/97/525881897.db2.gz DCAXHQQSXHJTPX-UHFFFAOYSA-N 0 0 266.699 4.072 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccc(Cl)cc2N)cc1 ZINC000049555310 525947982 /nfs/dbraw/zinc/94/79/82/525947982.db2.gz DXRMAXIFPVYHIV-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccsc2)o1 ZINC000127958633 525996484 /nfs/dbraw/zinc/99/64/84/525996484.db2.gz BBVKNHHVRBINCB-CYBMUJFWSA-N 0 0 275.373 4.017 10 0 CIAERN Cc1cc(-c2ccc(Cl)c(Cl)c2)nc(=S)[nH]1 ZINC000062202967 526041403 /nfs/dbraw/zinc/04/14/03/526041403.db2.gz VOCLXJILJHVNIA-UHFFFAOYSA-N 0 0 271.172 4.421 10 0 CIAERN Cc1cc(-c2csc(NCC(C)C)n2)c(C)o1 ZINC000061714675 526049996 /nfs/dbraw/zinc/04/99/96/526049996.db2.gz MDGOTPZLDFTDRA-UHFFFAOYSA-N 0 0 250.367 4.088 10 0 CIAERN C[C@@H](c1ccccc1Cl)n1c(=S)[nH]nc1C1CC1 ZINC000049510053 526102008 /nfs/dbraw/zinc/10/20/08/526102008.db2.gz NPXGUCVVHVUQGK-QMMMGPOBSA-N 0 0 279.796 4.081 10 0 CIAERN Fc1cc(Br)ccc1COC1CCCC1 ZINC000049600859 526295196 /nfs/dbraw/zinc/29/51/96/526295196.db2.gz OJAYNXTWLYTUGZ-UHFFFAOYSA-N 0 0 273.145 4.047 10 0 CIAERN Fc1cc2c(Cl)cc(C(F)F)nc2c(F)c1F ZINC000061629991 526310957 /nfs/dbraw/zinc/31/09/57/526310957.db2.gz ILMAVUOQADCPAZ-UHFFFAOYSA-N 0 0 267.584 4.243 10 0 CIAERN Fc1ccc(-c2nc3sccc3c(Cl)n2)c(F)c1 ZINC000055265970 526317229 /nfs/dbraw/zinc/31/72/29/526317229.db2.gz PIIXDWMDFNPUEY-UHFFFAOYSA-N 0 0 282.702 4.290 10 0 CIAERN Fc1ccc(F)c(NCc2c[nH]c3ccccc23)c1 ZINC000049136536 526350891 /nfs/dbraw/zinc/35/08/91/526350891.db2.gz AMESZRUEFZXOJV-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Fc1ccc(NCc2c[nH]c3ccccc23)cc1F ZINC000049136603 526354713 /nfs/dbraw/zinc/35/47/13/526354713.db2.gz ZZNGAILVFDDUFU-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Cc1csc(Cn2c(=S)[nH]c3cc(Cl)ccc32)n1 ZINC000049534151 526368995 /nfs/dbraw/zinc/36/89/95/526368995.db2.gz JBUIQQWRNTXDGH-UHFFFAOYSA-N 0 0 295.820 4.166 10 0 CIAERN Cc1cscc1NCc1cscc1Br ZINC000307323627 526475254 /nfs/dbraw/zinc/47/52/54/526475254.db2.gz RNKGDNNYAFQUCB-UHFFFAOYSA-N 0 0 288.235 4.493 10 0 CIAERN Cc1nc(-c2cccc(Cl)c2Cl)[nH]c(=O)c1C(C)C ZINC000061688386 526583710 /nfs/dbraw/zinc/58/37/10/526583710.db2.gz VWHUELMNMXRJOA-UHFFFAOYSA-N 0 0 297.185 4.176 10 0 CIAERN Cc1occc1Sc1cc(Cl)nc(C2CC2)n1 ZINC000225460499 526828556 /nfs/dbraw/zinc/82/85/56/526828556.db2.gz PJYPWUAQZOFNPT-UHFFFAOYSA-N 0 0 266.753 4.060 10 0 CIAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)C1CCCC1 ZINC000151739473 526880591 /nfs/dbraw/zinc/88/05/91/526880591.db2.gz HQSFORHQXJFTTG-MRXNPFEDSA-N 0 0 299.414 4.129 10 0 CIAERN Cc1sc2nc(COC3CCC3)nc(Cl)c2c1C ZINC000050520409 526894303 /nfs/dbraw/zinc/89/43/03/526894303.db2.gz DALCSEXDBURKLP-UHFFFAOYSA-N 0 0 282.796 4.031 10 0 CIAERN Cc1nc(Cc2ccc(F)cc2)nc(Cl)c1C(C)C ZINC000061689125 526927484 /nfs/dbraw/zinc/92/74/84/526927484.db2.gz PJVUCFBUHMIMAA-UHFFFAOYSA-N 0 0 278.758 4.292 10 0 CIAERN Cc1nc(Cl)cc(Nc2cc(Cl)ccc2C)n1 ZINC000052835490 526936137 /nfs/dbraw/zinc/93/61/37/526936137.db2.gz BRYQYVFKFNNVLX-UHFFFAOYSA-N 0 0 268.147 4.144 10 0 CIAERN Clc1cccc2nc(NCc3nccs3)sc21 ZINC000049534229 526984507 /nfs/dbraw/zinc/98/45/07/526984507.db2.gz WDTYYUQUUVEWMP-UHFFFAOYSA-N 0 0 281.793 4.018 10 0 CIAERN O=C1CCCc2nc(-c3c(F)cccc3Cl)sc21 ZINC000052903445 526986618 /nfs/dbraw/zinc/98/66/18/526986618.db2.gz QHLYSDPGGNJNMN-UHFFFAOYSA-N 0 0 281.739 4.122 10 0 CIAERN Clc1ncccc1COc1ccc2c(c1)CCCC2 ZINC000052726724 527011051 /nfs/dbraw/zinc/01/10/51/527011051.db2.gz XCOKOIRWYSFLQS-UHFFFAOYSA-N 0 0 273.763 4.193 10 0 CIAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)C1CCCC1 ZINC000151739557 527016707 /nfs/dbraw/zinc/01/67/07/527016707.db2.gz HQSFORHQXJFTTG-INIZCTEOSA-N 0 0 299.414 4.129 10 0 CIAERN Cc1nc2c(cc(Cl)c(Br)c2Cl)o1 ZINC000062557570 527097169 /nfs/dbraw/zinc/09/71/69/527097169.db2.gz RETDLBOMTZNNRN-UHFFFAOYSA-N 0 0 280.936 4.206 10 0 CIAERN O=C(Cc1ccc(F)cc1F)c1ccccc1Cl ZINC000050885706 527233902 /nfs/dbraw/zinc/23/39/02/527233902.db2.gz BCKWABDSWYRWRV-UHFFFAOYSA-N 0 0 266.674 4.044 10 0 CIAERN O=C(Cc1cccc(Cl)c1)C1(c2ccccc2)CC1 ZINC000061618140 527258989 /nfs/dbraw/zinc/25/89/89/527258989.db2.gz RRYRQDXRRXDRFE-UHFFFAOYSA-N 0 0 270.759 4.183 10 0 CIAERN O=C(Cc1cccc(Cl)c1)c1c[nH]c2ccccc12 ZINC000052944358 527262258 /nfs/dbraw/zinc/26/22/58/527262258.db2.gz OCSOFBKYRBRSIJ-UHFFFAOYSA-N 0 0 269.731 4.247 10 0 CIAERN Cc1ncc(CNc2nc3cccc(Cl)c3s2)s1 ZINC000049534223 527282393 /nfs/dbraw/zinc/28/23/93/527282393.db2.gz LNVDOOYYGLPJBX-UHFFFAOYSA-N 0 0 295.820 4.327 10 0 CIAERN O[C@@H](c1ccc(Cl)s1)C1(c2ccccc2)CC1 ZINC000061618469 527666012 /nfs/dbraw/zinc/66/60/12/527666012.db2.gz OVCNWHOZGRVCGT-ZDUSSCGKSA-N 0 0 264.777 4.167 10 0 CIAERN O[C@@H](c1ccc2c(c1)COC2)c1cc(Cl)ccc1Cl ZINC000062334732 527666674 /nfs/dbraw/zinc/66/66/74/527666674.db2.gz PPPOSUOXJPYSRL-HNNXBMFYSA-N 0 0 295.165 4.105 10 0 CIAERN Cc1nn(C)c(Cl)c1CS[C@@H]1CCC[C@@H](C)C1 ZINC000054688825 527667981 /nfs/dbraw/zinc/66/79/81/527667981.db2.gz NZFBNOUNXCHBFR-MWLCHTKSSA-N 0 0 272.845 4.194 10 0 CIAERN COc1ccc2c(c1)CC[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000169597366 566948066 /nfs/dbraw/zinc/94/80/66/566948066.db2.gz BCWWDWHFBMPLFQ-BMFAXAFESA-N 0 0 284.399 4.120 10 0 CIAERN Cc1ccc(-c2ccc(F)c(N)c2F)c(Cl)c1 ZINC000675056848 567021985 /nfs/dbraw/zinc/02/19/85/567021985.db2.gz QONJFHZIFVKIDD-UHFFFAOYSA-N 0 0 253.679 4.176 10 0 CIAERN C[C@H]1C[C@H](C)CC(O)(c2cccc(Br)c2)C1 ZINC000675060027 567022751 /nfs/dbraw/zinc/02/27/51/567022751.db2.gz ZPFKZABCXGOEHF-QWRGUYRKSA-N 0 0 283.209 4.093 10 0 CIAERN Cc1cc(N)cc2nc(-c3ccc(F)cc3Cl)oc21 ZINC000226248044 567039150 /nfs/dbraw/zinc/03/91/50/567039150.db2.gz VTPUDAPCQFJQQY-UHFFFAOYSA-N 0 0 276.698 4.178 10 0 CIAERN Cc1cc(N)cc2nc(-c3ccc(Cl)c(C)c3)oc21 ZINC000226239677 567039164 /nfs/dbraw/zinc/03/91/64/567039164.db2.gz MXXIXOPFVRMTSL-UHFFFAOYSA-N 0 0 272.735 4.347 10 0 CIAERN CNc1cc2nc(-c3ccc(C)cc3)oc2c(C)c1 ZINC000226270103 567039240 /nfs/dbraw/zinc/03/92/40/567039240.db2.gz YMTLDMGUBAEZJQ-UHFFFAOYSA-N 0 0 252.317 4.153 10 0 CIAERN FC(F)(F)c1ccc(N2CCCCC2)c(-n2cccc2)c1 ZINC000226245312 567039249 /nfs/dbraw/zinc/03/92/49/567039249.db2.gz OEFAHVKXTSKJSC-UHFFFAOYSA-N 0 0 294.320 4.486 10 0 CIAERN COc1c(Cl)cc(-c2nc3cnccc3o2)cc1Cl ZINC000226281588 567041089 /nfs/dbraw/zinc/04/10/89/567041089.db2.gz NYGFKSVIEKXHMD-UHFFFAOYSA-N 0 0 295.125 4.205 10 0 CIAERN CN(C(=O)C(F)(F)F)c1ccc2c(c1)oc1ccccc12 ZINC000226275329 567041210 /nfs/dbraw/zinc/04/12/10/567041210.db2.gz KYMREJKOTNTSTN-UHFFFAOYSA-N 0 0 293.244 4.111 10 0 CIAERN CC1=Nc2ccccc2[C@H](OCc2ccccc2)C1 ZINC000227148577 567155612 /nfs/dbraw/zinc/15/56/12/567155612.db2.gz XKGGEOLFUOFSMI-QGZVFWFLSA-N 0 0 251.329 4.441 10 0 CIAERN FC(F)c1ccc(Br)c(Br)c1 ZINC000112731849 567876705 /nfs/dbraw/zinc/87/67/05/567876705.db2.gz BXGBANRBDCKABL-UHFFFAOYSA-N 0 0 285.913 4.149 10 0 CIAERN Cc1ccc(-c2cccc(Br)c2F)cc1N ZINC000235898147 567892413 /nfs/dbraw/zinc/89/24/13/567892413.db2.gz YVYMIXPCNLDZRC-UHFFFAOYSA-N 0 0 280.140 4.146 10 0 CIAERN Brc1cncc(-c2nc3ccccc3s2)c1 ZINC000073636046 567893191 /nfs/dbraw/zinc/89/31/91/567893191.db2.gz XNGBZKHPRONQNZ-UHFFFAOYSA-N 0 0 291.173 4.121 10 0 CIAERN Cc1cc2[nH]c(-c3ccc(F)cc3)nc2cc1Cl ZINC000073638956 567893487 /nfs/dbraw/zinc/89/34/87/567893487.db2.gz LXQADOYWPVDKMR-UHFFFAOYSA-N 0 0 260.699 4.331 10 0 CIAERN CCc1ccc(-c2nc3cc(N)cc(CC)c3o2)cc1 ZINC000073641645 567893554 /nfs/dbraw/zinc/89/35/54/567893554.db2.gz QSKHHEIECQBPOX-UHFFFAOYSA-N 0 0 266.344 4.202 10 0 CIAERN O=C(Nc1ccc(-c2ccccc2)cc1)OCC(F)(F)F ZINC000051040613 567893973 /nfs/dbraw/zinc/89/39/73/567893973.db2.gz UQCXNFBXKZNZKP-UHFFFAOYSA-N 0 0 295.260 4.464 10 0 CIAERN CCO[C@H](C)c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1 ZINC000067805997 567900557 /nfs/dbraw/zinc/90/05/57/567900557.db2.gz LKVNGARUWLHESH-CYBMUJFWSA-N 0 0 293.366 4.293 10 0 CIAERN Fc1ccc(-c2cc(Cl)cnc2F)cc1Cl ZINC000725241207 567907875 /nfs/dbraw/zinc/90/78/75/567907875.db2.gz CALJQZDOOSLXTM-UHFFFAOYSA-N 0 0 260.070 4.334 10 0 CIAERN CCCCc1nc2cc(C)c(C(C)C)c(Cl)n2n1 ZINC000725246708 567908476 /nfs/dbraw/zinc/90/84/76/567908476.db2.gz UELICGVXFREWGM-UHFFFAOYSA-N 0 0 265.788 4.157 10 0 CIAERN CC[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253891 567911557 /nfs/dbraw/zinc/91/15/57/567911557.db2.gz PJCMJOMGAJKWLU-QWHCGFSZSA-N 0 0 275.392 4.096 10 0 CIAERN CCC(C)(C)[C@H]1CCC(=O)[C@H](C(F)(F)F)CC1 ZINC000725256030 567915384 /nfs/dbraw/zinc/91/53/84/567915384.db2.gz PKHCMELMISHOJE-NXEZZACHSA-N 0 0 250.304 4.360 10 0 CIAERN CC(C)(C)OC(=O)N1CC2(CC2)Oc2ccc(Cl)cc21 ZINC000725260564 567917275 /nfs/dbraw/zinc/91/72/75/567917275.db2.gz SLVQGPZLIYGPMH-UHFFFAOYSA-N 0 0 295.766 4.007 10 0 CIAERN CCC1(C)CCN(c2cc(N)ccc2C(F)(F)F)CC1 ZINC000725263424 567923025 /nfs/dbraw/zinc/92/30/25/567923025.db2.gz DOMMTKMYCCERCX-UHFFFAOYSA-N 0 0 286.341 4.304 10 0 CIAERN CC(=O)c1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1 ZINC000725265109 567923218 /nfs/dbraw/zinc/92/32/18/567923218.db2.gz FWKQMSJNPABQGG-KRWDZBQOSA-N 0 0 252.313 4.018 10 0 CIAERN CC(=O)c1cccc(-c2ccc([C@H]3CCO3)cc2)c1 ZINC000725265130 567923307 /nfs/dbraw/zinc/92/33/07/567923307.db2.gz IAIGYXBHKHXTKB-QGZVFWFLSA-N 0 0 252.313 4.018 10 0 CIAERN Cc1cc(-c2nn(C(C)C)cc2C(F)F)cnc1Cl ZINC000725269732 567924358 /nfs/dbraw/zinc/92/43/58/567924358.db2.gz COCYWWCHRYEXSR-UHFFFAOYSA-N 0 0 285.725 4.425 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2ccc(C=O)c(F)c2)n1 ZINC000725269843 567924466 /nfs/dbraw/zinc/92/44/66/567924466.db2.gz DVTGQWQFOLAZBX-UHFFFAOYSA-N 0 0 282.265 4.020 10 0 CIAERN CCCS[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000037353474 570291974 /nfs/dbraw/zinc/29/19/74/570291974.db2.gz BSGXGCPQOBTTBZ-VIFPVBQESA-N 0 0 287.222 4.164 10 0 CIAERN CC(C)S[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000037687579 570295515 /nfs/dbraw/zinc/29/55/15/570295515.db2.gz UTDSTEXHXRMGQI-VIFPVBQESA-N 0 0 287.222 4.162 10 0 CIAERN Cc1ccc(N)cc1-c1cccc(C(=O)OC(C)(C)C)c1 ZINC000216623298 570305909 /nfs/dbraw/zinc/30/59/09/570305909.db2.gz PGVDFTWNGONVII-UHFFFAOYSA-N 0 0 283.371 4.200 10 0 CIAERN CCOC(=O)c1sc(Br)cc1[C@H](C)CC ZINC000675058164 570365052 /nfs/dbraw/zinc/36/50/52/570365052.db2.gz VGNMLBQZVUKJLP-SSDOTTSWSA-N 0 0 291.210 4.201 10 0 CIAERN C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C ZINC000014722314 571722087 /nfs/dbraw/zinc/72/20/87/571722087.db2.gz KVUKDCFEXVWYBN-FMBIJHKPSA-N 0 0 273.420 4.340 10 0 endogenous,in-man CIAERN CC(=O)O[C@H](C)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C ZINC000005766910 574412618 /nfs/dbraw/zinc/41/26/18/574412618.db2.gz TYUPZTIJMKMYHL-ZYICGEMBSA-N 0 0 250.382 4.267 10 0 endogenous,in-man CIAERN CC(=O)O[C@@H](C)/C(C)=C/[C@H]1C(C)=CCCC1(C)C ZINC000033953590 574414149 /nfs/dbraw/zinc/41/41/49/574414149.db2.gz TYUPZTIJMKMYHL-PYHCZJRBSA-N 0 0 250.382 4.267 10 0 endogenous,in-man CIAERN Fc1ccc(-c2ncn(CC3CC3)c2-c2ccncc2)cc1 ZINC000002047872 581098391 /nfs/dbraw/zinc/09/83/91/581098391.db2.gz ROKOFZNQCIIJMI-UHFFFAOYSA-N 0 0 293.345 4.161 10 0 in-vivo CIAERN CCCCCCCCCCC[N+](C)(C)CCCC(=O)[O-] ZINC000102239214 717145870 /nfs/dbraw/zinc/14/58/70/717145870.db2.gz RMDLUIULVIQFSO-UHFFFAOYSA-O 0 0 286.480 4.458 10 0 CIAERN Oc1ccc(Cl)cc1/C=C\c1ccc2cccc(O)c2n1 ZINC000096586031 230385987 /nfs/dbraw/zinc/38/59/87/230385987.db2.gz SOUQJSULOJWRAI-YVMONPNESA-N 0 0 297.741 4.470 10 0 CIAERN FC(F)(F)c1cccc(OC2CC2)c1Br ZINC000095733948 185023073 /nfs/dbraw/zinc/02/30/73/185023073.db2.gz OCCWRDGQROLTQZ-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509701 178075894 /nfs/dbraw/zinc/07/58/94/178075894.db2.gz BZZBWUKCRYBIIO-QWRGUYRKSA-N 0 0 281.831 4.418 10 0 CIAERN S=C(Oc1ccccc1)c1cc(Cl)cnc1Cl ZINC000095936246 185034004 /nfs/dbraw/zinc/03/40/04/185034004.db2.gz LKHTZNOGNVQLBP-UHFFFAOYSA-N 0 0 284.167 4.143 10 0 CIAERN Fc1ccc(Cn2ccnc2-c2cccs2)c(Cl)c1 ZINC000095990760 185057594 /nfs/dbraw/zinc/05/75/94/185057594.db2.gz NRKXVEAZOALDOE-UHFFFAOYSA-N 0 0 292.766 4.452 10 0 CIAERN Brc1ccc2nc(-c3ccccc3)ncc2c1 ZINC000096028924 185067233 /nfs/dbraw/zinc/06/72/33/185067233.db2.gz GAZQBWKCLAPIKA-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN COc1ccc(Cl)cc1-c1ccc(CC(C)=O)cc1 ZINC000082709166 178219062 /nfs/dbraw/zinc/21/90/62/178219062.db2.gz DJAXMZLUHYTMJH-UHFFFAOYSA-N 0 0 274.747 4.147 10 0 CIAERN COc1ccc(CCNc2cccc(Cl)c2)cc1 ZINC000082712246 178225175 /nfs/dbraw/zinc/22/51/75/178225175.db2.gz SMGIOJMAYSUTAL-UHFFFAOYSA-N 0 0 261.752 4.003 10 0 CIAERN Clc1ccc2nc(NC3CCCC3)sc2c1 ZINC000082727252 178243538 /nfs/dbraw/zinc/24/35/38/178243538.db2.gz YDVSDLUBSGLEBG-UHFFFAOYSA-N 0 0 252.770 4.304 10 0 CIAERN Cc1cc(Br)nc2c(C)cc(Cl)cc12 ZINC000082788585 178293329 /nfs/dbraw/zinc/29/33/29/178293329.db2.gz UDGMFLAXQUPMQB-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN Cc1cc(Br)nc2c(C)c(Cl)ccc12 ZINC000082788587 178293683 /nfs/dbraw/zinc/29/36/83/178293683.db2.gz LNSXKXDNSSKLDQ-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN Cc1cc(Br)sc1-c1ccccc1 ZINC000096918501 185129721 /nfs/dbraw/zinc/12/97/21/185129721.db2.gz DIFXKHOFCZJROM-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN Cc1ccc(-c2ccc(Br)s2)cc1 ZINC000096918555 185130356 /nfs/dbraw/zinc/13/03/56/185130356.db2.gz BRVGLPSQCMQSLZ-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN CSc1nnc(-c2cccs2)c(-c2cccs2)n1 ZINC000096930040 185132345 /nfs/dbraw/zinc/13/23/45/185132345.db2.gz OJQRKTIEYULHNJ-UHFFFAOYSA-N 0 0 291.426 4.051 10 0 CIAERN Nc1c(Br)scc1C1CCCCC1 ZINC000096949827 185138455 /nfs/dbraw/zinc/13/84/55/185138455.db2.gz WRUGSXOLYUFTGJ-UHFFFAOYSA-N 0 0 260.200 4.141 10 0 CIAERN COc1ccc(C)cc1NCc1cc(F)ccc1C ZINC000083432560 178445230 /nfs/dbraw/zinc/44/52/30/178445230.db2.gz CVDDWSRWNPGKHD-UHFFFAOYSA-N 0 0 259.324 4.063 10 0 CIAERN Cc1cc(O)ccc1NCc1cccc(Cl)c1F ZINC000083482809 178508218 /nfs/dbraw/zinc/50/82/18/178508218.db2.gz HGFXMJKZFPPVIX-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN Cc1cc(OCCCC(=O)NC(C)(C)C)ccc1C(C)C ZINC000002609531 169815578 /nfs/dbraw/zinc/81/55/78/169815578.db2.gz MJCGPADNUFABTP-UHFFFAOYSA-N 0 0 291.435 4.192 10 0 CIAERN Nc1ccccc1Nc1c(Cl)cccc1Cl ZINC000083847466 178753319 /nfs/dbraw/zinc/75/33/19/178753319.db2.gz YDNDAHPSDPWHJJ-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN F[C@H](C(F)(F)F)C(F)(F)CSCc1ccccc1 ZINC000098210507 185700211 /nfs/dbraw/zinc/70/02/11/185700211.db2.gz WDXYKHYNTRDMSZ-VIFPVBQESA-N 0 0 288.256 4.456 10 0 CIAERN CCN1c2cc(Cl)ccc2N=C(c2ccccc2)CC1=O ZINC000102372702 185775740 /nfs/dbraw/zinc/77/57/40/185775740.db2.gz BTEDNQMPVVFDCC-UHFFFAOYSA-N 0 0 298.773 4.217 10 0 CIAERN CCCc1nnc(Cl)n1[C@@H](c1cccs1)C(C)C ZINC000103926451 185861854 /nfs/dbraw/zinc/86/18/54/185861854.db2.gz UWLQFANMHVGCKN-GFCCVEGCSA-N 0 0 283.828 4.191 10 0 CIAERN CC[C@@H](C1CCCCC1)n1c(Cl)nnc1C1CC1 ZINC000103926412 185862639 /nfs/dbraw/zinc/86/26/39/185862639.db2.gz VVLUYWUFOGAKNQ-LBPRGKRZSA-N 0 0 267.804 4.340 10 0 CIAERN CCCc1nc(N)sc1Cc1ccccc1C(C)C ZINC000103940113 185864594 /nfs/dbraw/zinc/86/45/94/185864594.db2.gz DAGDTXKBSQIFTR-UHFFFAOYSA-N 0 0 274.433 4.392 10 0 CIAERN Cc1ccc(C)c(CC(=O)c2cc(F)ccc2C)c1 ZINC000103939384 185865033 /nfs/dbraw/zinc/86/50/33/185865033.db2.gz UECSJLBWBIXQSL-UHFFFAOYSA-N 0 0 256.320 4.176 10 0 CIAERN CCCCCNc1cc(Cl)ccc1-n1cccn1 ZINC000103980254 185874003 /nfs/dbraw/zinc/87/40/03/185874003.db2.gz XLPBNKBBISDGGH-UHFFFAOYSA-N 0 0 263.772 4.128 10 0 CIAERN CCCC[C@H](CC)CNc1ccc(OC)cc1OC ZINC000103998939 185879641 /nfs/dbraw/zinc/87/96/41/185879641.db2.gz RZAYGADWRQLMCA-ZDUSSCGKSA-N 0 0 265.397 4.332 10 0 CIAERN C[C@@H]1CCC[C@@H](OCCNc2ccccc2Cl)C1 ZINC000104018609 185883843 /nfs/dbraw/zinc/88/38/43/185883843.db2.gz IMCOGULXOHXMIP-CHWSQXEVSA-N 0 0 267.800 4.347 10 0 CIAERN Fc1c(Cl)cccc1NCCCOc1ccccc1 ZINC000104019438 185883936 /nfs/dbraw/zinc/88/39/36/185883936.db2.gz IRXJVKGFEWVOKX-UHFFFAOYSA-N 0 0 279.742 4.360 10 0 CIAERN Cc1ccc(C(C)C)cc1O[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000103989833 185876784 /nfs/dbraw/zinc/87/67/84/185876784.db2.gz UAMSVZSUELEDDI-YLQAJVPDSA-N 0 0 262.393 4.047 10 0 CIAERN Cc1ccc(C)c(SCc2c(N)cccc2F)c1 ZINC000104058045 185888502 /nfs/dbraw/zinc/88/85/02/185888502.db2.gz IXLYJKIQAQRYBD-UHFFFAOYSA-N 0 0 261.365 4.317 10 0 CIAERN CCOc1cccc(N[C@@H](c2cccs2)C(C)C)n1 ZINC000104116186 185897623 /nfs/dbraw/zinc/89/76/23/185897623.db2.gz PSKKZADERPYDIL-OAHLLOKOSA-N 0 0 276.405 4.351 10 0 CIAERN O[C@H](c1sccc1Cl)c1ccc(Cl)cc1 ZINC000087622805 179456865 /nfs/dbraw/zinc/45/68/65/179456865.db2.gz HQHUZUPAXUGGSA-JTQLQIEISA-N 0 0 259.157 4.137 10 0 CIAERN CCCc1nc(N(CC)C2CCCCC2)sc1C=O ZINC000104172727 185915932 /nfs/dbraw/zinc/91/59/32/185915932.db2.gz AKLHPLAPYUTJIR-UHFFFAOYSA-N 0 0 280.437 4.067 10 0 CIAERN Cc1ccc(Sc2nc3ccc(N)cc3s2)cc1 ZINC000104174674 185917343 /nfs/dbraw/zinc/91/73/43/185917343.db2.gz WYNOPRQNMNCDKU-UHFFFAOYSA-N 0 0 272.398 4.338 10 0 CIAERN CCc1c2ccccc2oc1-c1csc([C@H](C)O)n1 ZINC000104183426 185917941 /nfs/dbraw/zinc/91/79/41/185917941.db2.gz FEYYAEYCRHLVAM-VIFPVBQESA-N 0 0 273.357 4.172 10 0 CIAERN O=C(CCC1CCCC1)[C@@H]1CCOc2ccccc21 ZINC000104196318 185926109 /nfs/dbraw/zinc/92/61/09/185926109.db2.gz YQTGLHCPJDLOGL-CQSZACIVSA-N 0 0 258.361 4.092 10 0 CIAERN Cc1nc(Cl)c(C)c(Nc2ccc(Cl)c(F)c2)n1 ZINC000104221384 185935231 /nfs/dbraw/zinc/93/52/31/185935231.db2.gz WQUFBNRLNGXFNU-UHFFFAOYSA-N 0 0 286.137 4.283 10 0 CIAERN O[C@H](CCc1cccs1)c1ccc(Cl)cc1F ZINC000104281443 185953739 /nfs/dbraw/zinc/95/37/39/185953739.db2.gz DLDSYBADWSGEHA-CYBMUJFWSA-N 0 0 270.756 4.207 10 0 CIAERN C[C@H](O)c1ccc(Sc2cc(F)ccc2F)c(F)c1 ZINC000104284027 185955054 /nfs/dbraw/zinc/95/50/54/185955054.db2.gz KWXWNIUEWMTFER-QMMMGPOBSA-N 0 0 284.302 4.308 10 0 CIAERN C[C@H](O)c1c(F)cccc1SCC1CCCC1 ZINC000104296131 185957468 /nfs/dbraw/zinc/95/74/68/185957468.db2.gz APKPDTNJFGIESP-JTQLQIEISA-N 0 0 254.370 4.161 10 0 CIAERN O=C(Nc1ccc2ccsc2c1)c1ccccc1 ZINC000089195391 179751298 /nfs/dbraw/zinc/75/12/98/179751298.db2.gz QLBIJMQFAPXVHT-UHFFFAOYSA-N 0 0 253.326 4.154 10 0 CIAERN CC1(Cn2ccc3c2CC(C)(C)CC3=O)CCCC1 ZINC000104443615 186003912 /nfs/dbraw/zinc/00/39/12/186003912.db2.gz ZAYPIGBHWDNNHM-UHFFFAOYSA-N 0 0 259.393 4.224 10 0 CIAERN CC(C)COC(=O)c1c(Cl)ccc2cc(Cl)cnc21 ZINC000090769799 180037535 /nfs/dbraw/zinc/03/75/35/180037535.db2.gz RRFWOGWLJIBHIN-UHFFFAOYSA-N 0 0 298.169 4.354 10 0 CIAERN FC(F)(F)Oc1cnc(Cl)cc1SC(F)(F)F ZINC000091252890 180114677 /nfs/dbraw/zinc/11/46/77/180114677.db2.gz IFKYCHBQASDLMF-UHFFFAOYSA-N 0 0 297.607 4.246 10 0 CIAERN Cl/C(I)=C/C1CCCCC1 ZINC000104842819 186027694 /nfs/dbraw/zinc/02/76/94/186027694.db2.gz FHOKCKNEVJKSNW-VURMDHGXSA-N 0 0 270.541 4.082 10 0 CIAERN C[C@]1(c2ccc(F)cc2)CCc2c1nc(Cl)nc2Cl ZINC000091691408 180227169 /nfs/dbraw/zinc/22/71/69/180227169.db2.gz UIZISHZMFCCGIR-CQSZACIVSA-N 0 0 297.160 4.175 10 0 CIAERN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000106260449 186106431 /nfs/dbraw/zinc/10/64/31/186106431.db2.gz IWAPAXOYNXBSBQ-UMSPYCQHSA-N 0 0 255.764 4.147 10 0 CIAERN O=C(Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2 ZINC000111819811 186459218 /nfs/dbraw/zinc/45/92/18/186459218.db2.gz GQBWZIZMGDZDDG-UHFFFAOYSA-N 0 0 270.759 4.254 10 0 CIAERN Cc1ccc(C(=O)c2c(C)ccc3ccccc32)cc1N ZINC000161105755 188508534 /nfs/dbraw/zinc/50/85/34/188508534.db2.gz KNRFRXQGPBKWLM-UHFFFAOYSA-N 0 0 275.351 4.270 10 0 CIAERN CCN(CC)c1ccc(OC(=O)c2cccc(C)c2)cc1 ZINC000169321078 188658116 /nfs/dbraw/zinc/65/81/16/188658116.db2.gz YFAXNOWZJVSACP-UHFFFAOYSA-N 0 0 283.371 4.060 10 0 CIAERN Cc1ccccc1C(=O)[C@H](c1ccccc1)c1ccccn1 ZINC000169333182 188659127 /nfs/dbraw/zinc/65/91/27/188659127.db2.gz BZFXFPQHCLGJCL-LJQANCHMSA-N 0 0 287.362 4.405 10 0 CIAERN COc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226246872 189770521 /nfs/dbraw/zinc/77/05/21/189770521.db2.gz AIGXESXAFPYXDQ-UHFFFAOYSA-N 0 0 290.322 4.294 10 0 CIAERN C[C@@H](O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000226272841 189771174 /nfs/dbraw/zinc/77/11/74/189771174.db2.gz DZCRMXQLYURHEX-CYBMUJFWSA-N 0 0 297.398 4.290 10 0 CIAERN Nc1ccc(C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000226296898 189771670 /nfs/dbraw/zinc/77/16/70/189771670.db2.gz QJQVHOOSGVXMEY-UHFFFAOYSA-N 0 0 285.346 4.071 10 0 CIAERN CC[C@@H]1C(=O)C[C@H](c2ccccc2)O[C@@H]1c1ccccc1 ZINC000256009302 190001795 /nfs/dbraw/zinc/00/17/95/190001795.db2.gz WOHVPMIOSALYON-BHIYHBOVSA-N 0 0 280.367 4.485 10 0 CIAERN Clc1cc(-c2nc(Cl)c(Cl)c(Cl)n2)ccn1 ZINC000261508687 190040300 /nfs/dbraw/zinc/04/03/00/190040300.db2.gz VWNNEPQGHYUWST-UHFFFAOYSA-N 0 0 294.956 4.152 10 0 CIAERN C[C@H](NCc1ccncc1Cl)c1ccc(Cl)s1 ZINC000088781264 260004963 /nfs/dbraw/zinc/00/49/63/260004963.db2.gz PZTVXVZOIJANGJ-QMMMGPOBSA-N 0 0 287.215 4.301 10 0 CIAERN Cc1c(N)cccc1[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000226293372 256785229 /nfs/dbraw/zinc/78/52/29/256785229.db2.gz YWMVAPZTMTZWFO-HXUWFJFHSA-N 0 0 289.378 4.326 10 0 CIAERN CC(C)(C)c1ccc(COC(=O)Nc2cccnc2)cc1 ZINC000000986948 169684399 /nfs/dbraw/zinc/68/43/99/169684399.db2.gz VBHPQNSGIHBFQQ-UHFFFAOYSA-N 0 0 284.359 4.128 10 0 CIAERN CSc1cccc(CN(C(C)C)C(F)(F)F)c1 ZINC000095076636 184935812 /nfs/dbraw/zinc/93/58/12/184935812.db2.gz USFOQUVGHPDTCC-UHFFFAOYSA-N 0 0 263.328 4.139 10 0 CIAERN Cc1ccc2nc(Nc3ccccc3F)sc2c1 ZINC000095081920 184937616 /nfs/dbraw/zinc/93/76/16/184937616.db2.gz OZCPDIKTMDMXSA-UHFFFAOYSA-N 0 0 258.321 4.487 10 0 CIAERN CO[C@@H]1CCC[C@@H](Nc2ncc(-c3ccccc3)s2)C1 ZINC000301807564 533385737 /nfs/dbraw/zinc/38/57/37/533385737.db2.gz YXQZAKKKXUONOL-ZIAGYGMSSA-N 0 0 288.416 4.180 10 0 CIAERN Cc1ccc(C(=O)N[C@H](C)c2cccs2)c(Cl)c1 ZINC000191141093 533591308 /nfs/dbraw/zinc/59/13/08/533591308.db2.gz DZVJLJPTGZERPU-SNVBAGLBSA-N 0 0 279.792 4.201 10 0 CIAERN C[C@@H](O)c1ccc(N2c3ccccc3CC[C@H]2C)c(F)c1 ZINC000035631187 134799748 /nfs/dbraw/zinc/79/97/48/134799748.db2.gz PAHORQYMHRPDIN-CHWSQXEVSA-N 0 0 285.362 4.352 10 0 CIAERN Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000002027016 169769094 /nfs/dbraw/zinc/76/90/94/169769094.db2.gz BYNQFCJOHGOKSS-UHFFFAOYSA-N 0 0 255.100 4.491 10 0 in-man CIAERN CCOc1ccc(-c2cc3ncnc(Cl)c3s2)cc1 ZINC000002541393 169806271 /nfs/dbraw/zinc/80/62/71/169806271.db2.gz ZMPFZOIVJFCKCO-UHFFFAOYSA-N 0 0 290.775 4.410 10 0 CIAERN CCc1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1 ZINC000002762925 169826576 /nfs/dbraw/zinc/82/65/76/169826576.db2.gz XYNDANMLOODKGX-CCEZHUSRSA-N 0 0 285.431 4.491 10 0 CIAERN CCCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000003175590 169865201 /nfs/dbraw/zinc/86/52/01/169865201.db2.gz QTUZIPZAPPPERU-UHFFFAOYSA-N 0 0 256.345 4.227 10 0 CIAERN Nn1c(-c2ccccc2)c2c(c1-c1ccccc1)CCCC2 ZINC000003814541 169913121 /nfs/dbraw/zinc/91/31/21/169913121.db2.gz MXZHREAIKLZWIM-UHFFFAOYSA-N 0 0 288.394 4.415 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccc2c(c1)OCO2 ZINC000003986260 169927343 /nfs/dbraw/zinc/92/73/43/169927343.db2.gz OOFOGDUJCRZEKL-UKPHBRMFSA-N 0 0 290.403 4.393 10 0 CIAERN OCc1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000004204232 169943889 /nfs/dbraw/zinc/94/38/89/169943889.db2.gz NMAWOQPVFHXTRF-UHFFFAOYSA-N 0 0 253.128 4.153 10 0 CIAERN CC(C)[C@@H]1CC[C@H](O)[C@H](C(C)(C)c2ccccc2)C1 ZINC000004976966 170048072 /nfs/dbraw/zinc/04/80/72/170048072.db2.gz ZJHNUUVRRFRSFM-OIISXLGYSA-N 0 0 260.421 4.397 10 0 CIAERN COc1ccc2sc(Nc3ccccc3C)nc2c1 ZINC000005087624 170065335 /nfs/dbraw/zinc/06/53/35/170065335.db2.gz RSKWSZMJAJMZTR-UHFFFAOYSA-N 0 0 270.357 4.357 10 0 CIAERN CCn1c2ccc(O)cc2c(C)c1-c1ccc(O)cc1 ZINC000005140365 170070502 /nfs/dbraw/zinc/07/05/02/170070502.db2.gz BXTNOIWYTWIPEL-UHFFFAOYSA-N 0 0 267.328 4.048 10 0 CIAERN Cc1cc2nc(NC(=O)Cc3ccccc3)sc2cc1C ZINC000005152415 170071264 /nfs/dbraw/zinc/07/12/64/170071264.db2.gz WPAOUGNPFJWGOB-UHFFFAOYSA-N 0 0 296.395 4.094 10 0 CIAERN C[C@]12CCc3occc3[C@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260739 170080712 /nfs/dbraw/zinc/08/07/12/170080712.db2.gz DDWYTNONBBOFFA-SAEIASLMSA-N 0 0 284.399 4.485 10 0 CIAERN CSc1ccc(C(C)(O)c2ccc(SC)cc2)cc1 ZINC000005302079 170084664 /nfs/dbraw/zinc/08/46/64/170084664.db2.gz IYDMVFJHEQVOEB-UHFFFAOYSA-N 0 0 290.453 4.386 10 0 CIAERN CN(c1ccccc1)c1cccc(Br)c1 ZINC000005328832 170086174 /nfs/dbraw/zinc/08/61/74/170086174.db2.gz CEMPURMKXMWSNH-UHFFFAOYSA-N 0 0 262.150 4.217 10 0 CIAERN CC(C)(c1ccc(O)cc1)C(C)(C)c1ccc(O)cc1 ZINC000005357636 170089301 /nfs/dbraw/zinc/08/93/01/170089301.db2.gz NXTLHAJDCMVQFB-UHFFFAOYSA-N 0 0 270.372 4.353 10 0 CIAERN CO[C@H](C)[C@@H](c1ccccc1)[C@H](OC)c1ccccc1 ZINC000005372502 170090361 /nfs/dbraw/zinc/09/03/61/170090361.db2.gz DRLSPUOEMIFQLS-FHLIZLRMSA-N 0 0 270.372 4.193 10 0 CIAERN CO[C@H](C)[C@H](c1ccccc1)[C@H](OC)c1ccccc1 ZINC000005372912 170090618 /nfs/dbraw/zinc/09/06/18/170090618.db2.gz DRLSPUOEMIFQLS-ZTFGCOKTSA-N 0 0 270.372 4.193 10 0 CIAERN Cc1cc(C)n([C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000005379354 170091419 /nfs/dbraw/zinc/09/14/19/170091419.db2.gz NREIKYBHYCGGPY-LJQANCHMSA-N 0 0 276.383 4.332 10 0 CIAERN Cc1ccccc1[C@H](c1ccccc1)n1nc2ccccc2n1 ZINC000005422887 170097808 /nfs/dbraw/zinc/09/78/08/170097808.db2.gz ZCHTZBPSBBSWNB-FQEVSTJZSA-N 0 0 299.377 4.377 10 0 CIAERN C[C@@H](NC(=O)CC1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005444014 170099778 /nfs/dbraw/zinc/09/97/78/170099778.db2.gz LXEJVFTVLVKPJA-SALMBKGGSA-N 0 0 289.463 4.288 10 0 CIAERN Cc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005443981 170099836 /nfs/dbraw/zinc/09/98/36/170099836.db2.gz FFILVIDPLPHCTI-ZIUDEIKKSA-N 0 0 297.442 4.330 10 0 CIAERN CCCCCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000005461473 170101591 /nfs/dbraw/zinc/10/15/91/170101591.db2.gz OJESWDRNLAJRGQ-UHFFFAOYSA-N 0 0 257.736 4.388 10 0 CIAERN CCCCCNC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000005463645 170101750 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COc1ccccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000014777948 170644888 /nfs/dbraw/zinc/64/48/88/170644888.db2.gz OYTBZTHTXBOQFA-UHFFFAOYSA-N 0 0 284.355 4.212 10 0 CIAERN Cc1ccccc1/C=C1\SC(=N)N(c2ccccc2)C1=O ZINC000015052882 170655097 /nfs/dbraw/zinc/65/50/97/170655097.db2.gz CRKKWBGJPMXQQV-QMGYSKEOSA-N 0 0 294.379 4.051 10 0 CIAERN CCCCn1c(-c2nnc(CCC)o2)cc2ccccc21 ZINC000017271629 170731284 /nfs/dbraw/zinc/73/12/84/170731284.db2.gz GANGTNCXRUSWNJ-UHFFFAOYSA-N 0 0 283.375 4.444 10 0 CIAERN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000018174699 170745349 /nfs/dbraw/zinc/74/53/49/170745349.db2.gz IEBDTQLRGSQBID-LLVKDONJSA-N 0 0 274.751 4.223 10 0 CIAERN CCc1ccc(CNc2ccc3c(c2)CCC3)cc1 ZINC000019231322 170756625 /nfs/dbraw/zinc/75/66/25/170756625.db2.gz PZKWSSDXOFMYRT-UHFFFAOYSA-N 0 0 251.373 4.350 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1N ZINC000019268901 170765825 /nfs/dbraw/zinc/76/58/25/170765825.db2.gz YSWLXGDTGIXIHR-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1N ZINC000019384944 170779136 /nfs/dbraw/zinc/77/91/36/170779136.db2.gz WLMMTHIZHOTLBH-UHFFFAOYSA-N 0 0 282.387 4.261 10 0 CIAERN CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000019393883 170782373 /nfs/dbraw/zinc/78/23/73/170782373.db2.gz WEURFQRTJVDNKO-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN Cc1ccc(-c2nc3ccccc3n2C(C)C)cc1N ZINC000019734456 170848554 /nfs/dbraw/zinc/84/85/54/170848554.db2.gz DETCILDHUHJCTM-UHFFFAOYSA-N 0 0 265.360 4.175 10 0 CIAERN Nc1cc(Cl)ccc1OCc1ccc(Cl)s1 ZINC000019805184 170874173 /nfs/dbraw/zinc/87/41/73/170874173.db2.gz QWSVOBBWGRUOIN-UHFFFAOYSA-N 0 0 274.172 4.216 10 0 CIAERN COc1cccc(COc2cccc(Br)c2)c1 ZINC000019806504 170875602 /nfs/dbraw/zinc/87/56/02/170875602.db2.gz DPQWNCQUIXGPSW-UHFFFAOYSA-N 0 0 293.160 4.037 10 0 CIAERN Fc1ccc([C@H](NCC(F)(F)F)c2ccccc2)cc1 ZINC000019807492 170876392 /nfs/dbraw/zinc/87/63/92/170876392.db2.gz YKJBRKOFHQUBOF-CQSZACIVSA-N 0 0 283.268 4.067 10 0 CIAERN NC(=S)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1 ZINC000019866710 170899641 /nfs/dbraw/zinc/89/96/41/170899641.db2.gz RSXNXPVZPGFDKD-UHFFFAOYSA-N 0 0 296.317 4.083 10 0 CIAERN CC(=O)c1c(F)cccc1Sc1nc2ccccc2o1 ZINC000019871846 170902296 /nfs/dbraw/zinc/90/22/96/170902296.db2.gz BGJPSCSOFSNOSJ-UHFFFAOYSA-N 0 0 287.315 4.321 10 0 CIAERN c1ccc(N[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000019879324 170907702 /nfs/dbraw/zinc/90/77/02/170907702.db2.gz UJOZIIRZFVAIKA-SFHVURJKSA-N 0 0 260.340 4.283 10 0 CIAERN C[C@H](Nc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000019884558 170909217 /nfs/dbraw/zinc/90/92/17/170909217.db2.gz BMEPMXNSUZJONR-JTQLQIEISA-N 0 0 266.266 4.274 10 0 CIAERN COc1ccccc1[C@@H](C)Nc1cccc2cccnc21 ZINC000019903660 170915753 /nfs/dbraw/zinc/91/57/53/170915753.db2.gz VYCXBPLQROEQFW-CYBMUJFWSA-N 0 0 278.355 4.417 10 0 CIAERN Fc1ccc(F)c(NCc2cccc(Br)c2)c1 ZINC000019907751 170919491 /nfs/dbraw/zinc/91/94/91/170919491.db2.gz ZUCYOBGERMIKAM-UHFFFAOYSA-N 0 0 298.130 4.339 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2F)o1 ZINC000019907647 170919620 /nfs/dbraw/zinc/91/96/20/170919620.db2.gz GCQZTBMTHHOQOZ-QMMMGPOBSA-N 0 0 255.239 4.178 10 0 CIAERN C[C@H]1C[C@H]1c1ccc(CNc2cc(F)ccc2F)o1 ZINC000019907797 170919911 /nfs/dbraw/zinc/91/99/11/170919911.db2.gz CMQJFSWCOXTRJZ-JOYOIKCWSA-N 0 0 263.287 4.293 10 0 CIAERN COc1ccc(OC)c([C@H](C)Nc2cc(F)ccc2F)c1 ZINC000019907860 170920069 /nfs/dbraw/zinc/92/00/69/170920069.db2.gz QOTOAXVAXDPJKB-JTQLQIEISA-N 0 0 293.313 4.155 10 0 CIAERN CC(=O)Nc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000019917359 170926243 /nfs/dbraw/zinc/92/62/43/170926243.db2.gz IOMPWKNOBRMNCR-LRDDRELGSA-N 0 0 274.408 4.272 10 0 CIAERN Cc1ccc(N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C ZINC000019920198 170928173 /nfs/dbraw/zinc/92/81/73/170928173.db2.gz DWQJHGHQZKJUDD-AWEZNQCLSA-N 0 0 283.371 4.248 10 0 CIAERN COc1cc([C@@H](C)Nc2ccc(C)c(C)c2)ccc1O ZINC000019920214 170928324 /nfs/dbraw/zinc/92/83/24/170928324.db2.gz DUDRKCUAKJCPOO-CYBMUJFWSA-N 0 0 271.360 4.191 10 0 CIAERN CC(=O)c1ccc(Nc2ncnc3sc(C)c(C)c32)cc1 ZINC000019953673 170940641 /nfs/dbraw/zinc/94/06/41/170940641.db2.gz DIXVNEXCSBBXSV-UHFFFAOYSA-N 0 0 297.383 4.254 10 0 CIAERN Cc1ccc(N[C@@H]2CCOc3ccccc32)cc1F ZINC000019956242 170941460 /nfs/dbraw/zinc/94/14/60/170941460.db2.gz OCJAKKOVPMBQLI-OAHLLOKOSA-N 0 0 257.308 4.070 10 0 CIAERN COc1ccc([C@@H](C)Nc2cc(F)cc(F)c2)cc1F ZINC000019962044 170944287 /nfs/dbraw/zinc/94/42/87/170944287.db2.gz JLRYCBARCYSPPA-SECBINFHSA-N 0 0 281.277 4.286 10 0 CIAERN COc1cccc(N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000019964153 170945717 /nfs/dbraw/zinc/94/57/17/170945717.db2.gz XAGNOOATGOUVHM-GOSISDBHSA-N 0 0 279.339 4.490 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccccc2C)cc1F ZINC000019965124 170946712 /nfs/dbraw/zinc/94/67/12/170946712.db2.gz MFJHSFSTIFZXOZ-GFCCVEGCSA-N 0 0 259.324 4.316 10 0 CIAERN Fc1ccc(NCc2c(F)cccc2Cl)c(F)c1 ZINC000019985360 170960609 /nfs/dbraw/zinc/96/06/09/170960609.db2.gz GCVRPTVBXWUFTL-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN C[C@H]1CCC[C@H](Nc2ccccc2Br)C1 ZINC000019988334 170961730 /nfs/dbraw/zinc/96/17/30/170961730.db2.gz RPSDPIDTGCFNFK-QWRGUYRKSA-N 0 0 268.198 4.440 10 0 CIAERN CCCCn1c(C)nc2sc(-c3ccccc3)cc2c1=O ZINC000019992334 170963177 /nfs/dbraw/zinc/96/31/77/170963177.db2.gz SGPKMUWNQYXECN-UHFFFAOYSA-N 0 0 298.411 4.234 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1ccccc1OC(F)F ZINC000019995667 170963998 /nfs/dbraw/zinc/96/39/98/170963998.db2.gz COGDNBHZTDOBBU-GHMZBOCLSA-N 0 0 255.308 4.279 10 0 CIAERN CCC(CC)CNc1ccc(Br)cc1 ZINC000019999308 170965458 /nfs/dbraw/zinc/96/54/58/170965458.db2.gz JRUOVKCLVYMJAF-UHFFFAOYSA-N 0 0 256.187 4.297 10 0 CIAERN NC(=S)c1ccccc1Oc1cc(Cl)ccc1Cl ZINC000020007506 170967638 /nfs/dbraw/zinc/96/76/38/170967638.db2.gz RACFIMAJVFVDIT-UHFFFAOYSA-N 0 0 298.194 4.420 10 0 CIAERN CC[C@H]1CCCC[C@H]1Oc1cccc(F)c1C(C)=O ZINC000020012043 170968958 /nfs/dbraw/zinc/96/89/58/170968958.db2.gz QRPPMKBQHUKCFI-GXTWGEPZSA-N 0 0 264.340 4.376 10 0 CIAERN CCc1ccc(CNc2cc(F)ccc2F)s1 ZINC000020045124 170977440 /nfs/dbraw/zinc/97/74/40/170977440.db2.gz MBZMIKMPNNVUFD-UHFFFAOYSA-N 0 0 253.317 4.201 10 0 CIAERN Cc1nc([C@H](C)Nc2ccccc2F)c(C)s1 ZINC000020090724 170990048 /nfs/dbraw/zinc/99/00/48/170990048.db2.gz HETFCOBFAPZBOF-QMMMGPOBSA-N 0 0 250.342 4.072 10 0 CIAERN Cc1ccc([C@H](C)NCc2nc3ccccc3s2)o1 ZINC000020136197 171024168 /nfs/dbraw/zinc/02/41/68/171024168.db2.gz XWOZGZXQHWJYBO-NSHDSACASA-N 0 0 272.373 4.049 10 0 CIAERN Oc1cccc(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000020193297 171058721 /nfs/dbraw/zinc/05/87/21/171058721.db2.gz APXNQLYLMLVRRU-UHFFFAOYSA-N 0 0 267.250 4.023 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1cc2ccccc2o1 ZINC000020193990 171059492 /nfs/dbraw/zinc/05/94/92/171059492.db2.gz PYTZKANHKKMFDN-LLVKDONJSA-N 0 0 253.301 4.312 10 0 CIAERN CSc1ccc([C@H](C)Nc2cccc(O)c2)cc1 ZINC000020194079 171060192 /nfs/dbraw/zinc/06/01/92/171060192.db2.gz ZFKPAWWXRKOVIV-NSHDSACASA-N 0 0 259.374 4.287 10 0 CIAERN Fc1cc(F)cc(NCc2ccc3ccccc3n2)c1 ZINC000020246322 171099300 /nfs/dbraw/zinc/09/93/00/171099300.db2.gz WDNBCJJKTIXUJQ-UHFFFAOYSA-N 0 0 270.282 4.125 10 0 CIAERN Clc1cccc(NCc2cccnc2)c1Cl ZINC000020245744 171099393 /nfs/dbraw/zinc/09/93/93/171099393.db2.gz SIKMOIJXRSWIQV-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN Cc1nc(CNc2ccc(C(F)(F)F)cc2)cs1 ZINC000020252932 171104787 /nfs/dbraw/zinc/10/47/87/171104787.db2.gz OXQUTERFWUBRFI-UHFFFAOYSA-N 0 0 272.295 4.082 10 0 CIAERN Cc1cc(Oc2ccc(C=O)o2)cc(C)c1Cl ZINC000020274349 171131695 /nfs/dbraw/zinc/13/16/95/171131695.db2.gz LHQQIWUCBPIJAZ-UHFFFAOYSA-N 0 0 250.681 4.155 10 0 CIAERN Cc1cc(C=O)cc(C)c1OCc1ccc(F)cc1Cl ZINC000020297959 171137996 /nfs/dbraw/zinc/13/79/96/171137996.db2.gz BRLURGQSIRQVIF-UHFFFAOYSA-N 0 0 292.737 4.487 10 0 CIAERN Cc1cc(C=O)cc(C)c1OCc1cccc(Cl)c1 ZINC000020297927 171138006 /nfs/dbraw/zinc/13/80/06/171138006.db2.gz ZKDOHOGVZYCIJQ-UHFFFAOYSA-N 0 0 274.747 4.348 10 0 CIAERN CCCCCCNc1cccc(Br)c1 ZINC000020358943 171158030 /nfs/dbraw/zinc/15/80/30/171158030.db2.gz NDFDBEBOPVRFAC-UHFFFAOYSA-N 0 0 256.187 4.441 10 0 CIAERN CCCCCCNc1cc(OCC)ccc1OCC ZINC000020360497 171158784 /nfs/dbraw/zinc/15/87/84/171158784.db2.gz IDCFIZCZBGMPQH-UHFFFAOYSA-N 0 0 265.397 4.476 10 0 CIAERN COc1ccccc1CNc1ccc(F)cc1Cl ZINC000020361118 171159376 /nfs/dbraw/zinc/15/93/76/171159376.db2.gz BIFZUEOOJHEGHX-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN Cc1ccc(NCc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000020362452 171161402 /nfs/dbraw/zinc/16/14/02/171161402.db2.gz SYPMLPYPXGWCKU-UHFFFAOYSA-N 0 0 297.789 4.446 10 0 CIAERN Fc1ccc(Nc2nc3ccccc3s2)cc1F ZINC000020369483 171167138 /nfs/dbraw/zinc/16/71/38/171167138.db2.gz FRJISTCDYLGVLG-UHFFFAOYSA-N 0 0 262.284 4.318 10 0 CIAERN Nc1cnccc1Sc1cc(Cl)ccc1Cl ZINC000020370876 171167985 /nfs/dbraw/zinc/16/79/85/171167985.db2.gz KURDASBKPULIKX-UHFFFAOYSA-N 0 0 271.172 4.122 10 0 CIAERN Cc1ccc(N[C@H]2CCOc3ccccc32)c(F)c1 ZINC000020371374 171168483 /nfs/dbraw/zinc/16/84/83/171168483.db2.gz HYQXHSDOTCGYMV-AWEZNQCLSA-N 0 0 257.308 4.070 10 0 CIAERN C[C@@H](Nc1ccccc1N)C12CC3CC(CC(C3)C1)C2 ZINC000020382083 171172359 /nfs/dbraw/zinc/17/23/59/171172359.db2.gz IXRSVMMASGLJNY-QLFDAEIZSA-N 0 0 270.420 4.286 10 0 CIAERN Nc1cccc(Cl)c1NCc1ccc(Cl)cc1 ZINC000020381350 171172670 /nfs/dbraw/zinc/17/26/70/171172670.db2.gz XQNMDFSKQONPHA-UHFFFAOYSA-N 0 0 267.159 4.188 10 0 CIAERN Nc1cc(Cl)ccc1NCc1ccc(Cl)cc1 ZINC000020381373 171172674 /nfs/dbraw/zinc/17/26/74/171172674.db2.gz KQEDIXGDOGLVQY-UHFFFAOYSA-N 0 0 267.159 4.188 10 0 CIAERN C[C@@H](Nc1ccc(Br)cc1N)c1ccccc1 ZINC000020381912 171172688 /nfs/dbraw/zinc/17/26/88/171172688.db2.gz KJFCAVFTOPJTHF-SNVBAGLBSA-N 0 0 291.192 4.204 10 0 CIAERN Nc1ccc(NCc2ccccc2Cl)c(Cl)c1 ZINC000020382746 171173150 /nfs/dbraw/zinc/17/31/50/171173150.db2.gz HJRHLFDMJDYFMO-UHFFFAOYSA-N 0 0 267.159 4.188 10 0 CIAERN CCc1ccc2oc([C@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389467 171178368 /nfs/dbraw/zinc/17/83/68/171178368.db2.gz JQFDAXXWBAFKJG-QGZVFWFLSA-N 0 0 269.319 4.182 10 0 CIAERN COc1ccc2oc([C@@H](N)c3ccc(Cl)cc3)cc2c1 ZINC000020389619 171178856 /nfs/dbraw/zinc/17/88/56/171178856.db2.gz ZLTFLHNWPZBADG-INIZCTEOSA-N 0 0 287.746 4.143 10 0 CIAERN CCC(CC)Nc1ccc(F)cc1Br ZINC000020430513 171195427 /nfs/dbraw/zinc/19/54/27/171195427.db2.gz NKJSWNOBTMKYIM-UHFFFAOYSA-N 0 0 260.150 4.189 10 0 CIAERN CC(C)C[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430532 171195626 /nfs/dbraw/zinc/19/56/26/171195626.db2.gz YDGQWSJVRAYUGF-SECBINFHSA-N 0 0 274.177 4.435 10 0 CIAERN CC[C@@H]1CCc2nc(-c3ccc(O)cc3)sc2C1 ZINC000020432959 171198116 /nfs/dbraw/zinc/19/81/16/171198116.db2.gz CNEQFKOJKHMTJR-SNVBAGLBSA-N 0 0 259.374 4.031 10 0 CIAERN Cc1cc(Oc2ccccc2CO)ccc1C(C)C ZINC000020435343 171201548 /nfs/dbraw/zinc/20/15/48/171201548.db2.gz BAHBVSDOVWJLSE-UHFFFAOYSA-N 0 0 256.345 4.403 10 0 CIAERN Nc1ccc(NCCc2ccc(Cl)cc2Cl)c(F)c1 ZINC000020474863 171219142 /nfs/dbraw/zinc/21/91/42/171219142.db2.gz BPXNONMKVIOUAK-UHFFFAOYSA-N 0 0 299.176 4.369 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(N)cc1F ZINC000020474930 171219429 /nfs/dbraw/zinc/21/94/29/171219429.db2.gz ZIZKOURTTXOCMG-FFSVYQOJSA-N 0 0 265.372 4.248 10 0 CIAERN C[C@H](Nc1c(F)cccc1F)c1ccc(F)cc1F ZINC000020476153 171220612 /nfs/dbraw/zinc/22/06/12/171220612.db2.gz ZJCQWDNSHRAHEQ-QMMMGPOBSA-N 0 0 269.241 4.416 10 0 CIAERN C[C@H]1C[C@@H](Oc2ccc(F)cc2N)CC(C)(C)C1 ZINC000020506937 171229041 /nfs/dbraw/zinc/22/90/41/171229041.db2.gz ITSUWMBTHKBGRM-CMPLNLGQSA-N 0 0 251.345 4.002 10 0 CIAERN C[C@@H]1CCC[C@H](Oc2cccc(Cl)c2C=O)C1 ZINC000020517237 171232677 /nfs/dbraw/zinc/23/26/77/171232677.db2.gz RLYGTOHSSZNSJQ-MNOVXSKESA-N 0 0 252.741 4.110 10 0 CIAERN CC(=O)c1ccccc1O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020516900 171232787 /nfs/dbraw/zinc/23/27/87/171232787.db2.gz VSRONJKKUNEHSI-OCCSQVGLSA-N 0 0 260.377 4.483 10 0 CIAERN CC(=O)c1ccccc1O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020516898 171232889 /nfs/dbraw/zinc/23/28/89/171232889.db2.gz VSRONJKKUNEHSI-TZMCWYRMSA-N 0 0 260.377 4.483 10 0 CIAERN CC(=O)c1ccc(OC[C@@H]2CC=CC[C@H]2C)c(F)c1 ZINC000020519281 171233572 /nfs/dbraw/zinc/23/35/72/171233572.db2.gz UZANHSLYYAXQGD-RISCZKNCSA-N 0 0 262.324 4.009 10 0 CIAERN COc1ccc(N)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000020521696 171235009 /nfs/dbraw/zinc/23/50/09/171235009.db2.gz YKUIRIZNUXRUKK-UHFFFAOYSA-N 0 0 298.169 4.163 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(Br)cc1 ZINC000020524396 171237191 /nfs/dbraw/zinc/23/71/91/171237191.db2.gz STHMICCODVEJIN-JTQLQIEISA-N 0 0 286.213 4.065 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(Cl)cc1C ZINC000020524497 171237487 /nfs/dbraw/zinc/23/74/87/171237487.db2.gz BKWKMMGLLKNWRQ-LLVKDONJSA-N 0 0 255.789 4.264 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cccc(Cl)c1C ZINC000020524246 171237500 /nfs/dbraw/zinc/23/75/00/171237500.db2.gz ODTWPRVIOGNSAS-SNVBAGLBSA-N 0 0 255.789 4.264 10 0 CIAERN CCC(CC)CNc1cccc(OC(F)(F)F)c1 ZINC000020545863 171243505 /nfs/dbraw/zinc/24/35/05/171243505.db2.gz GHSDEKRWRXLCKA-UHFFFAOYSA-N 0 0 261.287 4.433 10 0 CIAERN CCN(c1ccccc1C)c1cccc(F)c1C(C)=O ZINC000020546304 171243952 /nfs/dbraw/zinc/24/39/52/171243952.db2.gz AWXWTQFHSHODPT-UHFFFAOYSA-N 0 0 271.335 4.495 10 0 CIAERN COc1ccc(C)cc1NCc1ccc(F)cc1Cl ZINC000020547839 171244768 /nfs/dbraw/zinc/24/47/68/171244768.db2.gz UTXCXIWILTVRSO-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000020548495 171245576 /nfs/dbraw/zinc/24/55/76/171245576.db2.gz MWORQOISDHNSKU-GFCCVEGCSA-N 0 0 255.336 4.488 10 0 CIAERN CCCCCNc1ccc(Br)cc1C ZINC000020556378 171249765 /nfs/dbraw/zinc/24/97/65/171249765.db2.gz PLGGYYHSPLDXET-UHFFFAOYSA-N 0 0 256.187 4.360 10 0 CIAERN CCOc1ccccc1NCc1ccc(F)cc1Cl ZINC000020555752 171249884 /nfs/dbraw/zinc/24/98/84/171249884.db2.gz KZHWBFXAPZDTHG-UHFFFAOYSA-N 0 0 279.742 4.490 10 0 CIAERN CCc1c2ccccc2oc1[C@H](C)NCC(F)(F)F ZINC000020558627 171250708 /nfs/dbraw/zinc/25/07/08/171250708.db2.gz KTODIGSJILOESC-VIFPVBQESA-N 0 0 271.282 4.208 10 0 CIAERN Cc1cc(F)ccc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000020559266 171251186 /nfs/dbraw/zinc/25/11/86/171251186.db2.gz VSPRMHMGIOBWRR-IINYFYTJSA-N 0 0 259.324 4.463 10 0 CIAERN Cc1ccc(N[C@@H](C)CCc2ccc(O)cc2)cc1F ZINC000020561236 171251938 /nfs/dbraw/zinc/25/19/38/171251938.db2.gz JGHXICKOZSJJFE-ZDUSSCGKSA-N 0 0 273.351 4.273 10 0 CIAERN COc1ccc(CSc2ccccc2Cl)cc1N ZINC000020561515 171252019 /nfs/dbraw/zinc/25/20/19/171252019.db2.gz LCVPJTIISUGIBH-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN S=c1[nH]ccn1-c1ccccc1Cc1ccccc1 ZINC000020581144 171257177 /nfs/dbraw/zinc/25/71/77/171257177.db2.gz QTDJKHHOQFMMFH-UHFFFAOYSA-N 0 0 266.369 4.126 10 0 CIAERN S=c1[nH]ccn1-c1ccccc1-c1ccccc1 ZINC000020581129 171257322 /nfs/dbraw/zinc/25/73/22/171257322.db2.gz NBJNYLFLSSEABC-UHFFFAOYSA-N 0 0 252.342 4.202 10 0 CIAERN CCOc1ccccc1Nc1ccc(N)cc1Cl ZINC000020584843 171258149 /nfs/dbraw/zinc/25/81/49/171258149.db2.gz MBPUFFLLZOGAFL-UHFFFAOYSA-N 0 0 262.740 4.065 10 0 CIAERN CCOc1ccccc1Nc1ccc(Cl)cc1N ZINC000020584847 171258154 /nfs/dbraw/zinc/25/81/54/171258154.db2.gz MZBPGIFXWUJFDM-UHFFFAOYSA-N 0 0 262.740 4.065 10 0 CIAERN Nc1ccc(Nc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000020584888 171258251 /nfs/dbraw/zinc/25/82/51/171258251.db2.gz KJGDSILAPBYMIE-UHFFFAOYSA-N 0 0 270.229 4.170 10 0 CIAERN Cc1ccc(C)c(Nc2ccc(Br)cc2N)c1 ZINC000020585468 171258596 /nfs/dbraw/zinc/25/85/96/171258596.db2.gz XKCUKWBRKZSFPM-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Nc1ccc(Nc2cccc3c2CCCC3)c(F)c1 ZINC000020585019 171258744 /nfs/dbraw/zinc/25/87/44/171258744.db2.gz GLNHVXOBWHPGIG-UHFFFAOYSA-N 0 0 256.324 4.030 10 0 CIAERN S=c1[nH]c2ccccc2n1-c1ccc(Cl)cc1 ZINC000020585951 171258846 /nfs/dbraw/zinc/25/88/46/171258846.db2.gz HWNMPQPKIPUQER-UHFFFAOYSA-N 0 0 260.749 4.341 10 0 CIAERN Nc1ccccc1Nc1cccc(Cl)c1Cl ZINC000020585783 171258903 /nfs/dbraw/zinc/25/89/03/171258903.db2.gz HEEUUIHXGIBFBG-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Cc1ccc(Cl)cc1Nc1ccc(F)cc1N ZINC000020585824 171258924 /nfs/dbraw/zinc/25/89/24/171258924.db2.gz GXOYIARBZWQRIG-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccccc1Nc1ccc(Br)cc1N ZINC000020585814 171258938 /nfs/dbraw/zinc/25/89/38/171258938.db2.gz REBMJICWNAOHDI-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Cc1ccc(F)c(Nc2ccc(Br)cc2N)c1 ZINC000020585864 171259061 /nfs/dbraw/zinc/25/90/61/171259061.db2.gz RCSFGBAJNPKOCZ-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Cc1cc(F)ccc1Nc1ccc(Br)cc1N ZINC000020585678 171259094 /nfs/dbraw/zinc/25/90/94/171259094.db2.gz JPGVLLAEWYMAJK-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN CC1CCC(n2c(=S)[nH]nc2-c2cccs2)CC1 ZINC000020591277 171261340 /nfs/dbraw/zinc/26/13/40/171261340.db2.gz UOSPCBZLZMUMTC-UHFFFAOYSA-N 0 0 279.434 4.420 10 0 CIAERN C[C@H]1CCCC[C@H]1n1c(=S)[nH]nc1-c1cccs1 ZINC000020591264 171261498 /nfs/dbraw/zinc/26/14/98/171261498.db2.gz LXGBMQBWVVBZSX-VHSXEESVSA-N 0 0 279.434 4.420 10 0 CIAERN O=C(c1cc2cc(Cl)cc(Cl)c2o1)c1ccccn1 ZINC000020592651 171262087 /nfs/dbraw/zinc/26/20/87/171262087.db2.gz KKQLAKOWNQCHRN-UHFFFAOYSA-N 0 0 292.121 4.366 10 0 CIAERN Cc1c2ccccc2oc1[C@@H](N)c1ccc(Cl)cc1 ZINC000020592930 171262662 /nfs/dbraw/zinc/26/26/62/171262662.db2.gz MLPNYFDJGAATOY-HNNXBMFYSA-N 0 0 271.747 4.443 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccc(F)cc1Cl ZINC000020595312 171264071 /nfs/dbraw/zinc/26/40/71/171264071.db2.gz BKCMFWUUSDEZFD-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN CCC(C)(C)NC(=O)c1ccccc1SC(C)C ZINC000020612909 171267506 /nfs/dbraw/zinc/26/75/06/171267506.db2.gz YMPFLQBJYCCKDA-UHFFFAOYSA-N 0 0 265.422 4.106 10 0 CIAERN Fc1ccc(Nc2cnnc3c(Cl)cccc23)cc1 ZINC000020940445 171281851 /nfs/dbraw/zinc/28/18/51/171281851.db2.gz UGELFSRHEYZVNE-UHFFFAOYSA-N 0 0 273.698 4.166 10 0 CIAERN C[C@H]1CCc2cccc(OCCCc3ccccc3)c2N1 ZINC000021012106 171287443 /nfs/dbraw/zinc/28/74/43/171287443.db2.gz JLTJHEZSCBMSGQ-HNNXBMFYSA-N 0 0 281.399 4.445 10 0 CIAERN COc1ccc(OC)c(N[C@@H](C)CCc2ccccc2)c1 ZINC000021012379 171288140 /nfs/dbraw/zinc/28/81/40/171288140.db2.gz JTKAEIFPQZYCLR-AWEZNQCLSA-N 0 0 285.387 4.137 10 0 CIAERN CCOc1ccccc1CNc1cc(Cl)ccc1OC ZINC000021013967 171288832 /nfs/dbraw/zinc/28/88/32/171288832.db2.gz ODTDMSBMISCTKO-UHFFFAOYSA-N 0 0 291.778 4.359 10 0 CIAERN Cc1ccc(F)cc1N[C@H](C)CCc1ccc(O)cc1 ZINC000021014134 171288841 /nfs/dbraw/zinc/28/88/41/171288841.db2.gz LIHCBYWLTWYPMB-CYBMUJFWSA-N 0 0 273.351 4.273 10 0 CIAERN CCOc1ccc(NC2CCC(C)CC2)cc1OCC ZINC000021023860 171290751 /nfs/dbraw/zinc/29/07/51/171290751.db2.gz MHECHFFHVOXZHH-UHFFFAOYSA-N 0 0 277.408 4.475 10 0 CIAERN Cc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1O ZINC000021027693 171291483 /nfs/dbraw/zinc/29/14/83/171291483.db2.gz NGDDOLYYRFSJAX-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021028168 171291533 /nfs/dbraw/zinc/29/15/33/171291533.db2.gz QKPAWZXHMNJPGY-LLVKDONJSA-N 0 0 291.297 4.490 10 0 CIAERN FC(F)(F)c1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000021047454 171294366 /nfs/dbraw/zinc/29/43/66/171294366.db2.gz GJEFCJYHXSNTNI-LLVKDONJSA-N 0 0 255.283 4.474 10 0 CIAERN CC(C)(C)c1ccc(COc2ccccc2C=O)cc1 ZINC000021057327 171296029 /nfs/dbraw/zinc/29/60/29/171296029.db2.gz UFIJEWDJVYVVFY-UHFFFAOYSA-N 0 0 268.356 4.376 10 0 CIAERN Fc1ccc(CNc2cccc3c2CCCC3)c(F)c1 ZINC000021057871 171296311 /nfs/dbraw/zinc/29/63/11/171296311.db2.gz HEVRNSHLJGDIAJ-UHFFFAOYSA-N 0 0 273.326 4.456 10 0 CIAERN Fc1ccccc1NCc1ccccc1OC(F)(F)F ZINC000021501882 171305938 /nfs/dbraw/zinc/30/59/38/171305938.db2.gz JRARFOYOVRQRLZ-UHFFFAOYSA-N 0 0 285.240 4.336 10 0 CIAERN Fc1cc(Br)ccc1NC1CCCCC1 ZINC000021510919 171310201 /nfs/dbraw/zinc/31/02/01/171310201.db2.gz RFVRJHBOAGKJKG-UHFFFAOYSA-N 0 0 272.161 4.333 10 0 CIAERN C[C@H](Nc1cccnc1)c1ccc2c(c1)CCCC2 ZINC000021513811 171311392 /nfs/dbraw/zinc/31/13/92/171311392.db2.gz CWRRICGQHQRSQO-ZDUSSCGKSA-N 0 0 252.361 4.134 10 0 CIAERN Nc1cc(Cl)ccc1O[C@H]1CCCc2ccccc21 ZINC000021515737 171312532 /nfs/dbraw/zinc/31/25/32/171312532.db2.gz JVBHSKYLKWFNKS-HNNXBMFYSA-N 0 0 273.763 4.379 10 0 CIAERN CC[C@@H](C)C[C@@H](CC)Nc1cc(OC)cc(OC)c1 ZINC000021516235 171312559 /nfs/dbraw/zinc/31/25/59/171312559.db2.gz CSIIUECDVAUVQN-CHWSQXEVSA-N 0 0 265.397 4.331 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1ccc(Br)cc1F ZINC000021518076 171314003 /nfs/dbraw/zinc/31/40/03/171314003.db2.gz OMRHNQCAVFTHPX-IUCAKERBSA-N 0 0 274.177 4.435 10 0 CIAERN CC(C)(C)c1ccc(CN2CCc3ccc(N)cc32)cc1 ZINC000021520470 171315514 /nfs/dbraw/zinc/31/55/14/171315514.db2.gz OBKFJUOKQSANTN-UHFFFAOYSA-N 0 0 280.415 4.129 10 0 CIAERN CC[C@@H](C)CNc1ccc(Br)cc1F ZINC000021805888 171327388 /nfs/dbraw/zinc/32/73/88/171327388.db2.gz ZQJASPOJXJMIPC-MRVPVSSYSA-N 0 0 260.150 4.046 10 0 CIAERN CCCCC[C@@H](C)Nc1ccc(OC)cc1OC ZINC000021807757 171328116 /nfs/dbraw/zinc/32/81/16/171328116.db2.gz YUZBJRNUABLLSR-GFCCVEGCSA-N 0 0 251.370 4.085 10 0 CIAERN COc1cc(Cl)c(C)cc1NC[C@H]1CC=CCC1 ZINC000021811970 171329434 /nfs/dbraw/zinc/32/94/34/171329434.db2.gz SCSROCSRZHGYIY-LBPRGKRZSA-N 0 0 265.784 4.425 10 0 CIAERN CCc1cccc(NCc2ccc3ccccc3n2)c1 ZINC000021812727 171330069 /nfs/dbraw/zinc/33/00/69/171330069.db2.gz ZMQHCQJQUYTTQW-UHFFFAOYSA-N 0 0 262.356 4.409 10 0 CIAERN COc1ccc(NC2CCCCCC2)cc1Cl ZINC000021812833 171330106 /nfs/dbraw/zinc/33/01/06/171330106.db2.gz CEZINUXJUICCEN-UHFFFAOYSA-N 0 0 253.773 4.483 10 0 CIAERN Cc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1N ZINC000021815060 171331817 /nfs/dbraw/zinc/33/18/17/171331817.db2.gz OOZONRAMZHRJSO-UHFFFAOYSA-N 0 0 282.387 4.127 10 0 CIAERN CC[C@H]1CCCC[C@H]1Oc1ccc(Cl)cc1N ZINC000021816896 171332755 /nfs/dbraw/zinc/33/27/55/171332755.db2.gz HHLVCNCSIPVXSK-GXFFZTMASA-N 0 0 253.773 4.270 10 0 CIAERN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc1 ZINC000021819035 171333653 /nfs/dbraw/zinc/33/36/53/171333653.db2.gz YXRBHGMIPYOJJF-GFCCVEGCSA-N 0 0 288.778 4.088 10 0 CIAERN COc1ccc(-c2ccccc2OC(F)(F)F)cc1C=O ZINC000021950804 171339780 /nfs/dbraw/zinc/33/97/80/171339780.db2.gz BPWHWYYDTBKKAI-UHFFFAOYSA-N 0 0 296.244 4.073 10 0 CIAERN Nc1ccc(Cl)cc1NC(=O)c1ccc2ccccc2c1 ZINC000021962198 171342738 /nfs/dbraw/zinc/34/27/38/171342738.db2.gz HCSFOAXZGHHTTP-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN CC[C@H](C)CNc1ccc(C)cc1Br ZINC000022152593 171359545 /nfs/dbraw/zinc/35/95/45/171359545.db2.gz XRJFGQWRLSXBGC-VIFPVBQESA-N 0 0 256.187 4.216 10 0 CIAERN Cc1cccc(C)c1OC[C@@H](N)c1cc2ccccc2o1 ZINC000022153765 171360583 /nfs/dbraw/zinc/36/05/83/171360583.db2.gz KQLDBYCQWBVUEU-OAHLLOKOSA-N 0 0 281.355 4.128 10 0 CIAERN CC[C@H](C)C[C@H](CC)Nc1ccc2c(c1)OCCO2 ZINC000022153516 171360589 /nfs/dbraw/zinc/36/05/89/171360589.db2.gz YYROTGPPUORKLB-STQMWFEESA-N 0 0 263.381 4.085 10 0 CIAERN CCCCC[C@H](O)c1cccc(OCc2ccncc2)c1 ZINC000025985251 171469462 /nfs/dbraw/zinc/46/94/62/171469462.db2.gz YZENBSRKNSNQOW-SFHVURJKSA-N 0 0 285.387 4.274 10 0 CIAERN CCOc1c2c3ccccc3n(C(C)C)c2ccc1N ZINC000027104537 171507720 /nfs/dbraw/zinc/50/77/20/171507720.db2.gz ZTPWZVPCMQXVOW-UHFFFAOYSA-N 0 0 268.360 4.356 10 0 CIAERN Cn1c2ccc3ccccc3c2nc1-c1ccccc1 ZINC000027655795 171527941 /nfs/dbraw/zinc/52/79/41/171527941.db2.gz CMFLGFOLSCPFKQ-UHFFFAOYSA-N 0 0 258.324 4.394 10 0 CIAERN Brc1ccc(-c2cn3c(n2)CCCCC3)cc1 ZINC000028114624 171548403 /nfs/dbraw/zinc/54/84/03/171548403.db2.gz GPTVCPAIZPKPNH-UHFFFAOYSA-N 0 0 291.192 4.039 10 0 CIAERN Cc1c(Cl)ccc2cc(-c3ccccc3)c(=O)[nH]c12 ZINC000032099765 171696768 /nfs/dbraw/zinc/69/67/68/171696768.db2.gz UQOYYWZXWYQMOR-UHFFFAOYSA-N 0 0 269.731 4.157 10 0 CIAERN O=c1cc(-c2ccccc2)[nH]c2ccc(C(F)(F)F)cc12 ZINC000032099896 171696795 /nfs/dbraw/zinc/69/67/95/171696795.db2.gz FGLYTPRBYYOJEM-UHFFFAOYSA-N 0 0 289.256 4.214 10 0 CIAERN Cc1cc(Cl)cc2cc(-c3ccccc3)c(=O)[nH]c12 ZINC000032099755 171696824 /nfs/dbraw/zinc/69/68/24/171696824.db2.gz WQLBWPGDBCBFKR-UHFFFAOYSA-N 0 0 269.731 4.157 10 0 CIAERN Clc1cc2nccc(Br)c2cc1Cl ZINC000032099853 171696922 /nfs/dbraw/zinc/69/69/22/171696922.db2.gz SBZJOAFITZREPL-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN Oc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000032116294 171709366 /nfs/dbraw/zinc/70/93/66/171709366.db2.gz WRPKNOTTWWUSTH-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN Cc1ccc(N)cc1OCc1c(Cl)cccc1Cl ZINC000032128214 171714226 /nfs/dbraw/zinc/71/42/26/171714226.db2.gz MBEACHIUEAURBQ-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN Cc1nc2ccccc2n1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000033448951 171803960 /nfs/dbraw/zinc/80/39/60/171803960.db2.gz BZFAIUOGRDJUBK-FLIBITNWSA-N 0 0 296.757 4.352 10 0 CIAERN C[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000033456223 171804060 /nfs/dbraw/zinc/80/40/60/171804060.db2.gz OSTLUVOSXOWERN-JYKYSHPRSA-N 0 0 298.213 4.408 10 0 CIAERN COc1ccc(C(=O)c2ccccc2)c(Cl)c1Cl ZINC000034204877 171833980 /nfs/dbraw/zinc/83/39/80/171833980.db2.gz MEZLFEBZUZORBM-UHFFFAOYSA-N 0 0 281.138 4.233 10 0 CIAERN Cc1ccc(C(=O)Cc2nc3ccccc3s2)s1 ZINC000034940291 171900006 /nfs/dbraw/zinc/90/00/06/171900006.db2.gz NRVONYPNEONCOX-UHFFFAOYSA-N 0 0 273.382 4.092 10 0 CIAERN CCN(CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000035020816 171938993 /nfs/dbraw/zinc/93/89/93/171938993.db2.gz BLIKAYXOAZLMOH-UHFFFAOYSA-N 0 0 273.763 4.049 10 0 CIAERN CN(C)c1ccc(Cl)cc1NCCc1ccccc1 ZINC000035037325 171943240 /nfs/dbraw/zinc/94/32/40/171943240.db2.gz OOTPDSVEQYUXOU-UHFFFAOYSA-N 0 0 274.795 4.061 10 0 CIAERN COc1ccc(C)cc1CNc1ccc(Cl)cc1F ZINC000035039870 171945148 /nfs/dbraw/zinc/94/51/48/171945148.db2.gz MFYKXFKSJNOBCZ-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN COc1cc(Cl)c(NCc2cccc(F)c2)cc1OC ZINC000035054039 171955440 /nfs/dbraw/zinc/95/54/40/171955440.db2.gz WJYUUKTUSKVXAS-UHFFFAOYSA-N 0 0 295.741 4.108 10 0 CIAERN Cc1nnc(NC2CCCCCC2)c2ccccc12 ZINC000035121144 171990565 /nfs/dbraw/zinc/99/05/65/171990565.db2.gz NVGPNIVFUSONEJ-UHFFFAOYSA-N 0 0 255.365 4.073 10 0 CIAERN COc1ccc(C)cc1CNc1ccc(F)c(Cl)c1 ZINC000035164989 172026412 /nfs/dbraw/zinc/02/64/12/172026412.db2.gz UKRKFTYNNDQPSM-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN COc1ccc(C)cc1CNc1ccccc1Cl ZINC000035164709 172026647 /nfs/dbraw/zinc/02/66/47/172026647.db2.gz QXTUQUUHRZNERH-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN COc1ccc(Cl)cc1CNc1ccc(F)cc1C ZINC000035180158 172033157 /nfs/dbraw/zinc/03/31/57/172033157.db2.gz GGGLSPBXJYBYDU-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN CC[C@@H](C)S[C@@H](C)C(=O)c1cc(C)ccc1C ZINC000035182603 172035853 /nfs/dbraw/zinc/03/58/53/172035853.db2.gz GLWUYWIDXKMFSQ-OLZOCXBDSA-N 0 0 250.407 4.406 10 0 CIAERN CC[C@@H](C)SCC(=O)c1ccc(Br)s1 ZINC000035182673 172035947 /nfs/dbraw/zinc/03/59/47/172035947.db2.gz YZFDBVGYPBEJIA-SSDOTTSWSA-N 0 0 293.251 4.225 10 0 CIAERN CCc1ccc(C(=O)[C@H](C)S[C@@H](C)CC)cc1 ZINC000035182616 172036054 /nfs/dbraw/zinc/03/60/54/172036054.db2.gz LXOHPNMYAKFJPG-RYUDHWBXSA-N 0 0 250.407 4.352 10 0 CIAERN Cc1ccc(C)c(O[C@H](C)C(=O)c2ccc(F)c(F)c2)c1 ZINC000035182269 172036059 /nfs/dbraw/zinc/03/60/59/172036059.db2.gz SFOALQUYPQQIKZ-GFCCVEGCSA-N 0 0 290.309 4.232 10 0 CIAERN Cc1cc(C)cc(OCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000035182358 172036070 /nfs/dbraw/zinc/03/60/70/172036070.db2.gz CPBKYVKEOKPLFY-UHFFFAOYSA-N 0 0 280.367 4.054 10 0 CIAERN Cc1cc(C)cc(OCC(=O)c2ccccc2Cl)c1 ZINC000035182363 172036439 /nfs/dbraw/zinc/03/64/39/172036439.db2.gz LGVZDTFVRRWFJP-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN CCc1ccc(O[C@H](C)C(=O)c2ccc(F)cc2)cc1 ZINC000035182903 172036724 /nfs/dbraw/zinc/03/67/24/172036724.db2.gz OQECDEYGHYFKNJ-GFCCVEGCSA-N 0 0 272.319 4.038 10 0 CIAERN Cc1ccc(C)c(C(=O)[C@@H](C)SCC(C)C)c1 ZINC000035182956 172037008 /nfs/dbraw/zinc/03/70/08/172037008.db2.gz OBBAAMBTBASSSK-CYBMUJFWSA-N 0 0 250.407 4.264 10 0 CIAERN Cc1ccccc1O[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000035183770 172037166 /nfs/dbraw/zinc/03/71/66/172037166.db2.gz SIHUSPXXMNBLMK-GFCCVEGCSA-N 0 0 274.747 4.299 10 0 CIAERN Cc1cccc(OCC(=O)c2cc3ccccc3o2)c1 ZINC000035183739 172037286 /nfs/dbraw/zinc/03/72/86/172037286.db2.gz ZLNWAIMCAACOIP-UHFFFAOYSA-N 0 0 266.296 4.003 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)Oc2ccc(F)cc2)cc1C ZINC000035183850 172037670 /nfs/dbraw/zinc/03/76/70/172037670.db2.gz OELIEAOBQXGBSX-ZDUSSCGKSA-N 0 0 272.319 4.093 10 0 CIAERN COc1ccc(C(C)=O)cc1COc1cc(C)cc(C)c1 ZINC000035185052 172038787 /nfs/dbraw/zinc/03/87/87/172038787.db2.gz UDOWFIAGWJGHLW-UHFFFAOYSA-N 0 0 284.355 4.094 10 0 CIAERN Cc1csc(S[C@H](C)C(=O)c2ccc(C)cc2)n1 ZINC000035184863 172038953 /nfs/dbraw/zinc/03/89/53/172038953.db2.gz YPTRWJARVHOUTE-LLVKDONJSA-N 0 0 277.414 4.123 10 0 CIAERN O=C1CCC[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000035184969 172039020 /nfs/dbraw/zinc/03/90/20/172039020.db2.gz OVWFLKRZIXUQDA-JTQLQIEISA-N 0 0 261.173 4.207 10 0 CIAERN S=c1[nH]nc(N2CCCCCCC2)n1C1CCCCC1 ZINC000035222028 172065726 /nfs/dbraw/zinc/06/57/26/172065726.db2.gz LWZJJJCZFWKWGQ-UHFFFAOYSA-N 0 0 294.468 4.216 10 0 CIAERN COc1ccc(CNc2ccc(Cl)cc2F)cc1 ZINC000035223994 172068242 /nfs/dbraw/zinc/06/82/42/172068242.db2.gz HCAVFZTXQOEPMC-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN CC[C@@H](C)S[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035229249 172070255 /nfs/dbraw/zinc/07/02/55/172070255.db2.gz IMCIDLJZZHMUNJ-RKDXNWHRSA-N 0 0 258.333 4.068 10 0 CIAERN CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035229243 172070374 /nfs/dbraw/zinc/07/03/74/172070374.db2.gz IMCIDLJZZHMUNJ-BDAKNGLRSA-N 0 0 258.333 4.068 10 0 CIAERN Cc1cc(Nc2ccc(OC(C)C)cc2)ccc1N ZINC000035278155 172097627 /nfs/dbraw/zinc/09/76/27/172097627.db2.gz AOZMBFXKJBSKJB-UHFFFAOYSA-N 0 0 256.349 4.108 10 0 CIAERN C[C@@H](Nc1cc(Cl)ccc1F)c1ccncc1 ZINC000035284362 172102475 /nfs/dbraw/zinc/10/24/75/172102475.db2.gz JRLVLUKRGHJECF-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN COC(=O)c1ccc(N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000035286394 172104433 /nfs/dbraw/zinc/10/44/33/172104433.db2.gz LQKXOEKJAFGAME-VIFPVBQESA-N 0 0 295.791 4.361 10 0 CIAERN Nc1ccc(Sc2cccs2)c2ccncc12 ZINC000035333342 172131434 /nfs/dbraw/zinc/13/14/34/172131434.db2.gz PKVTXBIYIPMPEJ-UHFFFAOYSA-N 0 0 258.371 4.030 10 0 CIAERN Nc1ccc(SCc2ccccc2)c2ccncc12 ZINC000035333280 172131937 /nfs/dbraw/zinc/13/19/37/172131937.db2.gz YUUHKYKXZPVPHJ-UHFFFAOYSA-N 0 0 266.369 4.109 10 0 CIAERN Cc1nc2cc(NC3CCC(C)CC3)c(N)cc2s1 ZINC000035342511 172134756 /nfs/dbraw/zinc/13/47/56/172134756.db2.gz NRXWYMIHDFXLTC-UHFFFAOYSA-N 0 0 275.421 4.178 10 0 CIAERN Cc1ccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)o1 ZINC000035368463 172159639 /nfs/dbraw/zinc/15/96/39/172159639.db2.gz LHGJOTYWNFETOH-UHFFFAOYSA-N 0 0 256.345 4.361 10 0 CIAERN Cc1ccc(C)c(C(=O)c2cc3c(s2)CCCC3)c1 ZINC000035368431 172159850 /nfs/dbraw/zinc/15/98/50/172159850.db2.gz YYUHEWPHVOXGEE-UHFFFAOYSA-N 0 0 270.397 4.475 10 0 CIAERN O=C(c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035368795 172160127 /nfs/dbraw/zinc/16/01/27/172160127.db2.gz VJUGJKRIPVZZOG-UHFFFAOYSA-N 0 0 262.761 4.121 10 0 CIAERN Cc1ccsc1C(=O)c1ccc(CC(C)C)cc1 ZINC000035368730 172160234 /nfs/dbraw/zinc/16/02/34/172160234.db2.gz POPJUAHRSASOFH-UHFFFAOYSA-N 0 0 258.386 4.486 10 0 CIAERN CCCc1ccc(C(=O)c2cc3c(s2)CCC3)cc1 ZINC000035368694 172160285 /nfs/dbraw/zinc/16/02/85/172160285.db2.gz YRELQDAFFSRHQL-UHFFFAOYSA-N 0 0 270.397 4.420 10 0 CIAERN COc1ccc(C(=O)c2cccc(Cl)c2Cl)cc1F ZINC000035423986 172192939 /nfs/dbraw/zinc/19/29/39/172192939.db2.gz JYXHQNHFOLUMTR-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN CCCC[C@@H](CC)C(=O)c1ccc(OC)c(F)c1 ZINC000035423904 172192943 /nfs/dbraw/zinc/19/29/43/172192943.db2.gz HDVUHDKXPYYMSF-LLVKDONJSA-N 0 0 252.329 4.233 10 0 CIAERN CN[C@@H](c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035501949 172236220 /nfs/dbraw/zinc/23/62/20/172236220.db2.gz 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ZINC000035736762 172389847 /nfs/dbraw/zinc/38/98/47/172389847.db2.gz AXNDIPUMDGBWPR-QMMMGPOBSA-N 0 0 252.770 4.157 10 0 CIAERN CCC[C@@H](Nc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035737510 172391130 /nfs/dbraw/zinc/39/11/30/172391130.db2.gz ACHLKYMMADCERG-CQSZACIVSA-N 0 0 263.772 4.027 10 0 CIAERN CCOc1ccccc1[C@H](C)N[C@H](C)c1ccco1 ZINC000035738837 172392437 /nfs/dbraw/zinc/39/24/37/172392437.db2.gz XZOIKEHUQVGSCH-QWHCGFSZSA-N 0 0 259.349 4.090 10 0 CIAERN CCCCO[C@@H]1CCCCCCCCCC[C@@H]1O ZINC000035924143 172425018 /nfs/dbraw/zinc/42/50/18/172425018.db2.gz VIVWISOMIANQHS-JKSUJKDBSA-N 0 0 256.430 4.447 10 0 CIAERN CCc1sc(N)c(C(=O)OC(C)C)c1-c1ccccc1 ZINC000036224625 172522548 /nfs/dbraw/zinc/52/25/48/172522548.db2.gz ZPJCQCIWTXHUHZ-UHFFFAOYSA-N 0 0 289.400 4.125 10 0 CIAERN CC(=O)c1ccc(N(C)C2CCCCCC2)c(F)c1 ZINC000036328660 172613151 /nfs/dbraw/zinc/61/31/51/172613151.db2.gz SCAQRJGQWUFPGV-UHFFFAOYSA-N 0 0 263.356 4.187 10 0 CIAERN CCCCc1noc(N)c1-c1cccc(Br)c1 ZINC000036766004 172684753 /nfs/dbraw/zinc/68/47/53/172684753.db2.gz ZHCMNLUJJPOKRG-UHFFFAOYSA-N 0 0 295.180 4.029 10 0 CIAERN COC(=O)c1ccc(Cl)cc1N[C@@H]1CCC[C@@H](C)C1 ZINC000036952373 172825460 /nfs/dbraw/zinc/82/54/60/172825460.db2.gz JKPOUPTXGNDPFO-ZYHUDNBSSA-N 0 0 281.783 4.117 10 0 CIAERN Cc1nc([C@@H](C)Nc2cccc3cnccc32)cs1 ZINC000036954119 172826030 /nfs/dbraw/zinc/82/60/30/172826030.db2.gz DMDOOGKXTNQVTD-SNVBAGLBSA-N 0 0 269.373 4.173 10 0 CIAERN CCCc1ccccc1NC1Cc2ccccc2C1 ZINC000036974866 172842444 /nfs/dbraw/zinc/84/24/44/172842444.db2.gz JVWWHYVWYFZGGB-UHFFFAOYSA-N 0 0 251.373 4.218 10 0 CIAERN Cc1ccc(CNc2ccc(Cl)cc2F)s1 ZINC000037056259 172923471 /nfs/dbraw/zinc/92/34/71/172923471.db2.gz VVCWNJLFVXJQAD-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN Cc1ccc(CNc2ccc(Cl)c3ncccc23)o1 ZINC000037101536 172954824 /nfs/dbraw/zinc/95/48/24/172954824.db2.gz IGYFPXALHBTWAA-UHFFFAOYSA-N 0 0 272.735 4.402 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccccc1CO ZINC000037133675 172975517 /nfs/dbraw/zinc/97/55/17/172975517.db2.gz 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CIAERN Cc1ncsc1[C@H](C)Nc1ccccc1OC(F)F ZINC000037217550 173036230 /nfs/dbraw/zinc/03/62/30/173036230.db2.gz BBEUHFBACYMZRA-VIFPVBQESA-N 0 0 284.331 4.226 10 0 CIAERN Fc1ccc(F)c(CNc2cccc(Cl)c2F)c1 ZINC000037233363 173052690 /nfs/dbraw/zinc/05/26/90/173052690.db2.gz UFEXOSFPFCLFJY-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN Oc1cccc(N[C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000037238219 173055365 /nfs/dbraw/zinc/05/53/65/173055365.db2.gz UELWEFXBOHHHDM-MRXNPFEDSA-N 0 0 257.308 4.095 10 0 CIAERN COc1cc(C)ccc1[C@@H](C)N[C@H](C)c1ccco1 ZINC000037260455 173070752 /nfs/dbraw/zinc/07/07/52/173070752.db2.gz OOCYCENHPSRMSE-CHWSQXEVSA-N 0 0 259.349 4.008 10 0 CIAERN COc1cc(C)ccc1[C@H](C)N[C@@H](C)c1ccco1 ZINC000037260453 173070786 /nfs/dbraw/zinc/07/07/86/173070786.db2.gz OOCYCENHPSRMSE-STQMWFEESA-N 0 0 259.349 4.008 10 0 CIAERN CC(C)C[C@H](C)n1c(=S)[nH]nc1-c1cccs1 ZINC000037265229 173074044 /nfs/dbraw/zinc/07/40/44/173074044.db2.gz WAEJALYTKQJUSD-VIFPVBQESA-N 0 0 267.423 4.276 10 0 CIAERN CCCC[C@H](C)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000037294864 173099179 /nfs/dbraw/zinc/09/91/79/173099179.db2.gz XNNSAHJQANPYKH-NSHDSACASA-N 0 0 282.815 4.032 10 0 CIAERN CCCC[C@@H](C)Nc1cnc(-c2ccccc2)nc1 ZINC000037302823 173108007 /nfs/dbraw/zinc/10/80/07/173108007.db2.gz NOGYYPNAHCAOGX-CYBMUJFWSA-N 0 0 255.365 4.134 10 0 CIAERN C[C@@H](CC(=O)Nc1ccc(Cl)c(N)c1)CC(C)(C)C ZINC000037306840 173110246 /nfs/dbraw/zinc/11/02/46/173110246.db2.gz WGFPVMASVYOEJW-JTQLQIEISA-N 0 0 282.815 4.323 10 0 CIAERN C[C@H](CC(=O)Nc1ccc(N)cc1Cl)CC(C)(C)C ZINC000037306843 173110318 /nfs/dbraw/zinc/11/03/18/173110318.db2.gz GGJIDJVSWXPVOG-SNVBAGLBSA-N 0 0 282.815 4.323 10 0 CIAERN CCCOC(=O)c1ccc(N[C@H](C)CC(C)C)cc1 ZINC000037308492 173110973 /nfs/dbraw/zinc/11/09/73/173110973.db2.gz YSFGLJOJSFJAAC-CYBMUJFWSA-N 0 0 263.381 4.100 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1ccccc1C(=O)OC ZINC000037308215 173111144 /nfs/dbraw/zinc/11/11/44/173111144.db2.gz FCWSPKPLNNUHQW-OLZOCXBDSA-N 0 0 263.381 4.100 10 0 CIAERN CC(=O)c1ccc(O)c(CSc2ccccc2F)c1 ZINC000037313606 173115965 /nfs/dbraw/zinc/11/59/65/173115965.db2.gz UBDYEGLATVXQEQ-UHFFFAOYSA-N 0 0 276.332 4.026 10 0 CIAERN Cc1ncsc1[C@@H](C)Nc1ccccc1OC(C)C ZINC000037315657 173116832 /nfs/dbraw/zinc/11/68/32/173116832.db2.gz ISZVIOBYKRNOJU-GFCCVEGCSA-N 0 0 276.405 4.412 10 0 CIAERN CCCOc1ccc(C(=O)C(C)C)cc1OCCC ZINC000037329598 173130297 /nfs/dbraw/zinc/13/02/97/173130297.db2.gz DSJXVNMVNGTYSN-UHFFFAOYSA-N 0 0 264.365 4.103 10 0 CIAERN Cc1cccc(N)c1NC(=O)c1cc(Cl)ccc1Cl ZINC000037331071 173132889 /nfs/dbraw/zinc/13/28/89/173132889.db2.gz JPZBNTXJSHXYDI-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CC(C)c1ccc(-c2c(N)onc2C2CCC2)cc1 ZINC000037351100 173144704 /nfs/dbraw/zinc/14/47/04/173144704.db2.gz QRLWKLZAVWNXFR-UHFFFAOYSA-N 0 0 256.349 4.315 10 0 CIAERN Cc1cc(C)c(C(=O)c2c(F)cccc2F)c(C)c1 ZINC000037354250 173146806 /nfs/dbraw/zinc/14/68/06/173146806.db2.gz TYOLBJZDHYMSSC-UHFFFAOYSA-N 0 0 260.283 4.121 10 0 CIAERN C[C@H]1C[C@@H]1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037354515 173146966 /nfs/dbraw/zinc/14/69/66/173146966.db2.gz RJHHUEFPZZOENG-LRDDRELGSA-N 0 0 252.313 4.318 10 0 CIAERN CCCc1ccc(C(=O)Cc2ccc(C)cc2)cc1 ZINC000037356962 173147869 /nfs/dbraw/zinc/14/78/69/173147869.db2.gz TWYGUNCVWOHHRQ-UHFFFAOYSA-N 0 0 252.357 4.373 10 0 CIAERN CCCc1ccc(C(=O)Cc2ccc(F)cc2)cc1 ZINC000037356973 173147992 /nfs/dbraw/zinc/14/79/92/173147992.db2.gz RXEWYFRBQLKJBG-UHFFFAOYSA-N 0 0 256.320 4.204 10 0 CIAERN COc1ccc(C(=O)c2ccccc2Cl)cc1Cl ZINC000037362686 173151609 /nfs/dbraw/zinc/15/16/09/173151609.db2.gz YAVUPBTWOYFVSV-UHFFFAOYSA-N 0 0 281.138 4.233 10 0 CIAERN OC1(c2ccccc2)CCC(c2ccccc2)CC1 ZINC000037375497 173165187 /nfs/dbraw/zinc/16/51/87/173165187.db2.gz XICZJHTXQHGHAC-UHFFFAOYSA-N 0 0 252.357 4.232 10 0 CIAERN O=C(c1ccc(Cl)c(Cl)c1)[C@H]1Cc2ccccc2O1 ZINC000037377456 173166032 /nfs/dbraw/zinc/16/60/32/173166032.db2.gz NKHZOZBPIDDRHH-CQSZACIVSA-N 0 0 293.149 4.180 10 0 CIAERN Nc1c(SCc2ccccc2)ccc2ncccc21 ZINC000037378739 173167160 /nfs/dbraw/zinc/16/71/60/173167160.db2.gz BWQSQBJYXYMIOB-UHFFFAOYSA-N 0 0 266.369 4.109 10 0 CIAERN Cc1ccc(Nc2cccc3c2CCCC3)c(N)c1 ZINC000037401359 173178502 /nfs/dbraw/zinc/17/85/02/173178502.db2.gz TUZJFKHZCOTRIA-UHFFFAOYSA-N 0 0 252.361 4.200 10 0 CIAERN Nc1c(F)cccc1Nc1ccccc1C(F)(F)F ZINC000037419342 173197130 /nfs/dbraw/zinc/19/71/30/173197130.db2.gz UOMFSWVQQHQSPZ-UHFFFAOYSA-N 0 0 270.229 4.170 10 0 CIAERN Cc1cc(F)ccc1-n1c2cccc(F)c2[nH]c1=S ZINC000037422663 173198627 /nfs/dbraw/zinc/19/86/27/173198627.db2.gz BMIYTFVMSLSSKG-UHFFFAOYSA-N 0 0 276.311 4.275 10 0 CIAERN Cc1ccc2c(c1)nc(-c1ccc(C)c(N)c1)n2C(C)C ZINC000037438598 173209403 /nfs/dbraw/zinc/20/94/03/173209403.db2.gz UIFCKLOFFNVROV-UHFFFAOYSA-N 0 0 279.387 4.483 10 0 CIAERN COC(=O)c1ccc(C)c(N[C@H](C)c2cccs2)c1 ZINC000037507983 173242160 /nfs/dbraw/zinc/24/21/60/173242160.db2.gz MTTIBVYKGZOLKS-LLVKDONJSA-N 0 0 275.373 4.016 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)Cc1ccccc1F ZINC000037529859 173252686 /nfs/dbraw/zinc/25/26/86/173252686.db2.gz PKZPACQMOILPAM-UKPHBRMFSA-N 0 0 264.384 4.192 10 0 CIAERN CCC1CCC(O)(Cc2ccc(Cl)cc2)CC1 ZINC000037529953 173252866 /nfs/dbraw/zinc/25/28/66/173252866.db2.gz QFINLIDEHPGKPT-UHFFFAOYSA-N 0 0 252.785 4.214 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@]1(O)Cc1ccc(F)cc1 ZINC000037530090 173252964 /nfs/dbraw/zinc/25/29/64/173252964.db2.gz HTOARTFWCAJYMS-WBVHZDCISA-N 0 0 264.384 4.336 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)CCc1ccccc1 ZINC000037531622 173253258 /nfs/dbraw/zinc/25/32/58/173253258.db2.gz QKXYDTSWMIESKX-NXHRZFHOSA-N 0 0 260.421 4.443 10 0 CIAERN C[C@](O)(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037530807 173253319 /nfs/dbraw/zinc/25/33/19/173253319.db2.gz QEEFKTNHTBQPHZ-HNNXBMFYSA-N 0 0 281.182 4.444 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)CCc1ccccc1 ZINC000037531623 173253520 /nfs/dbraw/zinc/25/35/20/173253520.db2.gz QKXYDTSWMIESKX-JQHSSLGASA-N 0 0 260.421 4.443 10 0 CIAERN O[C@@H](Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000037532801 173253780 /nfs/dbraw/zinc/25/37/80/173253780.db2.gz XWWYVKNPGWKBRW-AWEZNQCLSA-N 0 0 285.145 4.409 10 0 CIAERN Cc1ccc(C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000037532249 173253810 /nfs/dbraw/zinc/25/38/10/173253810.db2.gz RASHCZZQZCBFKJ-OAHLLOKOSA-N 0 0 291.188 4.034 10 0 CIAERN O[C@@H](Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037532461 173253987 /nfs/dbraw/zinc/25/39/87/173253987.db2.gz LICPXVGRBHXOOD-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN Clc1nc2ccccc2cc1COCc1ccco1 ZINC000037758366 173682538 /nfs/dbraw/zinc/68/25/38/173682538.db2.gz LPKZMKRBLGOYRV-UHFFFAOYSA-N 0 0 273.719 4.198 10 0 CIAERN CCC[C@H](C)Nc1ccc(N2CCCC2)c(F)c1 ZINC000037781072 173710949 /nfs/dbraw/zinc/71/09/49/173710949.db2.gz DQJZAMMORDPXDX-LBPRGKRZSA-N 0 0 250.361 4.026 10 0 CIAERN Cc1cc(OC(C)C)ccc1NCc1ccccc1 ZINC000037780714 173710957 /nfs/dbraw/zinc/71/09/57/173710957.db2.gz JTZYTLMDSXQGDG-UHFFFAOYSA-N 0 0 255.361 4.394 10 0 CIAERN Cc1ncc(CNc2ccccc2SC(F)F)s1 ZINC000037797006 173731818 /nfs/dbraw/zinc/73/18/18/173731818.db2.gz NLDXLPGDSXITPO-UHFFFAOYSA-N 0 0 286.372 4.378 10 0 CIAERN Nc1ccc(Cl)c(Nc2nc3ccccc3s2)c1 ZINC000038033898 174031881 /nfs/dbraw/zinc/03/18/81/174031881.db2.gz KUVAUVLWMAENKF-UHFFFAOYSA-N 0 0 275.764 4.276 10 0 CIAERN Nc1ccc(Cl)c(Nc2ncc(Cl)cc2Cl)c1 ZINC000038033907 174032371 /nfs/dbraw/zinc/03/23/71/174032371.db2.gz BHAJNBLUHLHDSC-UHFFFAOYSA-N 0 0 288.565 4.368 10 0 CIAERN CCCOc1cccc(CNc2c(F)cccc2F)c1 ZINC000038038269 174038844 /nfs/dbraw/zinc/03/88/44/174038844.db2.gz WIEJFJIJELKBCH-UHFFFAOYSA-N 0 0 277.314 4.366 10 0 CIAERN Cc1ccc(Sc2c(F)cc(N)cc2F)cc1 ZINC000038040401 174040173 /nfs/dbraw/zinc/04/01/73/174040173.db2.gz RCPMTEMEBIYJBR-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN Cc1cc(Oc2c(F)cc(N)cc2F)ccc1Cl ZINC000038040333 174040464 /nfs/dbraw/zinc/04/04/64/174040464.db2.gz VMJNEEUUVRAGAN-UHFFFAOYSA-N 0 0 269.678 4.301 10 0 CIAERN Nc1cc(F)c(Nc2cccc(Br)c2)c(F)c1 ZINC000038040004 174040497 /nfs/dbraw/zinc/04/04/97/174040497.db2.gz WDVUFNNJHZGRCV-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Cc1ccc(NCCc2nc3c(cccc3C)o2)cc1 ZINC000038052694 174063951 /nfs/dbraw/zinc/06/39/51/174063951.db2.gz NVRKTVKIMLANDB-UHFFFAOYSA-N 0 0 266.344 4.099 10 0 CIAERN Clc1ccc(COc2cccc3c2NCCC3)s1 ZINC000038056264 174067646 /nfs/dbraw/zinc/06/76/46/174067646.db2.gz BKRNOQUFNRGIDZ-UHFFFAOYSA-N 0 0 279.792 4.339 10 0 CIAERN Cc1ccc([C@H](C)N(C)C(=O)c2ccccc2F)s1 ZINC000038057422 174068217 /nfs/dbraw/zinc/06/82/17/174068217.db2.gz QXNMKHPAKJIXQS-NSHDSACASA-N 0 0 277.364 4.029 10 0 CIAERN Nc1ccc(F)cc1-c1ccc(C(F)(F)F)cc1 ZINC000038069025 174080743 /nfs/dbraw/zinc/08/07/43/174080743.db2.gz YXWHYIJKXKPGJQ-UHFFFAOYSA-N 0 0 255.214 4.094 10 0 CIAERN O=Cc1ccc(F)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000038069664 174080848 /nfs/dbraw/zinc/08/08/48/174080848.db2.gz RMZWFNIACRTCCL-UHFFFAOYSA-N 0 0 268.209 4.324 10 0 CIAERN CCC(=O)c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000038069578 174080995 /nfs/dbraw/zinc/08/09/95/174080995.db2.gz GUSCBHQNDHXOKK-UHFFFAOYSA-N 0 0 253.345 4.012 10 0 CIAERN Cc1ccc([C@@](C)(O)Cc2cc(C)cc(C)c2)cc1 ZINC000038077059 174087507 /nfs/dbraw/zinc/08/75/07/174087507.db2.gz YJWXGEQWIRZHCV-SFHVURJKSA-N 0 0 254.373 4.062 10 0 CIAERN Cc1cc(C)cc(COc2ccc(Cl)cc2CO)c1 ZINC000038076892 174087566 /nfs/dbraw/zinc/08/75/66/174087566.db2.gz NWZXVPQOKWLGAO-UHFFFAOYSA-N 0 0 276.763 4.028 10 0 CIAERN Oc1ccc(Sc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000038079193 174089119 /nfs/dbraw/zinc/08/91/19/174089119.db2.gz WWESJCAQYSUCLD-UHFFFAOYSA-N 0 0 292.228 4.239 10 0 CIAERN FC(F)(F)c1ccccc1Oc1nsnc1Cl ZINC000038082198 174091062 /nfs/dbraw/zinc/09/10/62/174091062.db2.gz CYBGIELDACCRBP-UHFFFAOYSA-N 0 0 280.658 4.003 10 0 CIAERN Nc1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000038285626 174138598 /nfs/dbraw/zinc/13/85/98/174138598.db2.gz ISHRUVAAZLDMKC-UHFFFAOYSA-N 0 0 273.335 4.167 10 0 CIAERN C/C(=C\[C@@H]1C(C)=CCCC1(C)C)[C@@]1(C)OC[C@H](C)O1 ZINC000038652039 174150892 /nfs/dbraw/zinc/15/08/92/174150892.db2.gz OLJZZCKBGUFAEV-VDSCYRPZSA-N 0 0 264.409 4.467 10 0 CIAERN COCc1c(-c2ccccc2)noc1-c1ccccc1 ZINC000039119922 174162965 /nfs/dbraw/zinc/16/29/65/174162965.db2.gz CMEOHHYKDYHRIN-UHFFFAOYSA-N 0 0 265.312 4.155 10 0 CIAERN Cc1cc2c(s1)C[C@@H](C)N1C(=O)O[C@@H](c3ccccc3)[C@H]21 ZINC000039136260 174164349 /nfs/dbraw/zinc/16/43/49/174164349.db2.gz NUARZZJUXSGPHN-VFVAKGGASA-N 0 0 299.395 4.236 10 0 CIAERN CC(C)(C)[C@H]1CCC(=O)[C@H](CC(=O)c2ccccc2)C1 ZINC000039194484 174164804 /nfs/dbraw/zinc/16/48/04/174164804.db2.gz OPWJLYPXLLWOHU-GJZGRUSLSA-N 0 0 272.388 4.291 10 0 CIAERN O[C@@H](c1nc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000039614585 174171055 /nfs/dbraw/zinc/17/10/55/174171055.db2.gz OCJRFRBMEAKAPG-CYBMUJFWSA-N 0 0 294.137 4.216 10 0 CIAERN CC(=O)c1cccc(Nc2ccnc3c(F)cccc23)c1 ZINC000039963755 174179887 /nfs/dbraw/zinc/17/98/87/174179887.db2.gz JHKRRDZCEZXOBA-UHFFFAOYSA-N 0 0 280.302 4.320 10 0 CIAERN COc1cccc2c(C)cc(SCC(C)C)nc12 ZINC000040167361 174198844 /nfs/dbraw/zinc/19/88/44/174198844.db2.gz ZBLWDHKCKGFCCV-UHFFFAOYSA-N 0 0 261.390 4.300 10 0 CIAERN Cc1cccc(C)c1OCCn1cnc2cc(C)c(C)cc21 ZINC000040224037 174207495 /nfs/dbraw/zinc/20/74/95/174207495.db2.gz JBLYJEWKKODHPD-UHFFFAOYSA-N 0 0 294.398 4.349 10 0 CIAERN CCc1ccc(OCCCn2c(C)nc3ccccc32)cc1 ZINC000040224702 174208046 /nfs/dbraw/zinc/20/80/46/174208046.db2.gz QHRKCLFMDDTMNY-UHFFFAOYSA-N 0 0 294.398 4.376 10 0 CIAERN Cc1cc(C)c(Cn2c3ccccc3nc2[C@@H](C)O)c(C)c1 ZINC000040224841 174208223 /nfs/dbraw/zinc/20/82/23/174208223.db2.gz RPAOZKDKBZSPLW-OAHLLOKOSA-N 0 0 294.398 4.063 10 0 CIAERN Cc1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000040224637 174208284 /nfs/dbraw/zinc/20/82/84/174208284.db2.gz ZEHRMVBHLAQXFT-UHFFFAOYSA-N 0 0 280.371 4.041 10 0 CIAERN COc1ccccc1Cn1c2ccccc2nc1C(C)(C)C ZINC000040239216 174212107 /nfs/dbraw/zinc/21/21/07/174212107.db2.gz WDAFGYKPMKYQHC-UHFFFAOYSA-N 0 0 294.398 4.391 10 0 CIAERN CC[C@H](C)c1ccc([C@@H](O)c2ccccc2F)cc1 ZINC000040246679 174214838 /nfs/dbraw/zinc/21/48/38/174214838.db2.gz ARBWWPMZORCRKQ-YVEFUNNKSA-N 0 0 258.336 4.421 10 0 CIAERN O[C@@H](c1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000040248924 174215622 /nfs/dbraw/zinc/21/56/22/174215622.db2.gz WZIMWKBXSWFDTP-CYBMUJFWSA-N 0 0 289.108 4.353 10 0 CIAERN COc1cccc(-c2nc3ccccc3n2CC(C)C)c1 ZINC000040250085 174215776 /nfs/dbraw/zinc/21/57/76/174215776.db2.gz OAVYXJDPGRMVMG-UHFFFAOYSA-N 0 0 280.371 4.368 10 0 CIAERN Cc1c(Cl)ccc2c(NC(=O)C(C)(C)C)ccnc12 ZINC000040359291 174246180 /nfs/dbraw/zinc/24/61/80/174246180.db2.gz ZLDOQPYGMQPEIZ-UHFFFAOYSA-N 0 0 276.767 4.181 10 0 CIAERN Cc1c(Cl)ccc2c(NCc3ccco3)ccnc12 ZINC000040358932 174246405 /nfs/dbraw/zinc/24/64/05/174246405.db2.gz DAFMTEXZXPYLQA-UHFFFAOYSA-N 0 0 272.735 4.402 10 0 CIAERN Cc1cc(NC(=O)c2ccc(Cl)s2)ncc1Cl ZINC000040400751 174253371 /nfs/dbraw/zinc/25/33/71/174253371.db2.gz MWMVZVROFVZKNE-UHFFFAOYSA-N 0 0 287.171 4.011 10 0 CIAERN CCOCCCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040403266 174253773 /nfs/dbraw/zinc/25/37/73/174253773.db2.gz OGQFNVSIODNSTB-UHFFFAOYSA-N 0 0 294.826 4.414 10 0 CIAERN Clc1ccc2c(c1)nc(C1CC1)n2Cc1ccco1 ZINC000040409856 174254635 /nfs/dbraw/zinc/25/46/35/174254635.db2.gz RGJKVZMNNSNWBN-UHFFFAOYSA-N 0 0 272.735 4.208 10 0 CIAERN Cc1cccc(OCc2nc3ccc(Cl)cc3n2C)c1 ZINC000040417078 174256095 /nfs/dbraw/zinc/25/60/95/174256095.db2.gz YFZLSBROHRXWRW-UHFFFAOYSA-N 0 0 286.762 4.114 10 0 CIAERN CCOc1ccc(CCC(=O)Oc2c(C)cccc2C)cc1 ZINC000041008726 174448701 /nfs/dbraw/zinc/44/87/01/174448701.db2.gz AIMFUXWUOVFHHQ-UHFFFAOYSA-N 0 0 298.382 4.240 10 0 CIAERN Cc1occc1C(=O)Nc1ccnc2c(Cl)cccc12 ZINC000041057586 174465553 /nfs/dbraw/zinc/46/55/53/174465553.db2.gz GZFPAYFSBPFCTM-UHFFFAOYSA-N 0 0 286.718 4.042 10 0 CIAERN CC[C@H](C)c1ccc(C(=O)c2cccc(N)c2C)cc1 ZINC000041385771 174541859 /nfs/dbraw/zinc/54/18/59/174541859.db2.gz UBPHBDDCXWEXDK-LBPRGKRZSA-N 0 0 267.372 4.322 10 0 CIAERN Cc1cc(C)cc(OCCNc2cccc(Cl)c2)c1 ZINC000041414046 174549429 /nfs/dbraw/zinc/54/94/29/174549429.db2.gz ZRRARCXNDWKYNO-UHFFFAOYSA-N 0 0 275.779 4.448 10 0 CIAERN C[C@H](O)c1cc(Cl)ccc1OCc1ccccc1F ZINC000041436390 174552715 /nfs/dbraw/zinc/55/27/15/174552715.db2.gz YKUWSRXBJPIVPX-JTQLQIEISA-N 0 0 280.726 4.111 10 0 CIAERN Cc1cc(C)c(C)c(C(=O)c2ccc(Cl)c(N)c2)c1C ZINC000041464250 174556244 /nfs/dbraw/zinc/55/62/44/174556244.db2.gz UXDXYNYVFROJSP-UHFFFAOYSA-N 0 0 287.790 4.387 10 0 CIAERN OC[C@H](Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1 ZINC000041484694 174561036 /nfs/dbraw/zinc/56/10/36/174561036.db2.gz HUBCBKGTTIQNJY-CQSZACIVSA-N 0 0 295.209 4.387 10 0 CIAERN OC[C@H](Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000041484706 174561147 /nfs/dbraw/zinc/56/11/47/174561147.db2.gz MBPNGYNBDBTODT-CQSZACIVSA-N 0 0 295.209 4.387 10 0 CIAERN Cc1cc(C)c2c(Br)c(Cl)cnc2c1 ZINC000041701975 174607976 /nfs/dbraw/zinc/60/79/76/174607976.db2.gz IMQBTEXHNIUFMH-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN Cc1ccc(C)c(CNc2cccc3cccnc32)c1 ZINC000042313764 174681849 /nfs/dbraw/zinc/68/18/49/174681849.db2.gz BTKFHSODWPZRCM-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN Clc1ccccc1-c1nc(Cl)c2c(n1)CCCC2 ZINC000042403659 174710756 /nfs/dbraw/zinc/71/07/56/174710756.db2.gz GQNSEQVEESEVJM-UHFFFAOYSA-N 0 0 279.170 4.329 10 0 CIAERN Cc1ccc([C@H](C)Nc2c(F)cc(N)cc2F)s1 ZINC000042599702 174815862 /nfs/dbraw/zinc/81/58/62/174815862.db2.gz LXWSWRGBJCELBV-QMMMGPOBSA-N 0 0 268.332 4.090 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2N)s1 ZINC000042599743 174815906 /nfs/dbraw/zinc/81/59/06/174815906.db2.gz DRORJXGEMWMZFK-SECBINFHSA-N 0 0 266.797 4.465 10 0 CIAERN Cc1ccsc1[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000042731366 174859215 /nfs/dbraw/zinc/85/92/15/174859215.db2.gz QVCRKVWXOGPBPQ-NSHDSACASA-N 0 0 272.291 4.157 10 0 CIAERN CN(C)c1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000043204180 174983573 /nfs/dbraw/zinc/98/35/73/174983573.db2.gz KABXKWWJTYSDTD-UHFFFAOYSA-N 0 0 288.188 4.086 10 0 CIAERN Cc1cc(C)cc(NCc2ccc(O)c(Cl)c2)c1 ZINC000043476906 175054818 /nfs/dbraw/zinc/05/48/18/175054818.db2.gz FRIBWFZVLDXNJG-UHFFFAOYSA-N 0 0 261.752 4.275 10 0 CIAERN Brc1ccsc1COCc1ccccc1 ZINC000043679134 175089566 /nfs/dbraw/zinc/08/95/66/175089566.db2.gz BYIYAJODIKBAMY-UHFFFAOYSA-N 0 0 283.190 4.227 10 0 CIAERN CCC(C)(C)OCc1ccc(Br)s1 ZINC000043679702 175090268 /nfs/dbraw/zinc/09/02/68/175090268.db2.gz WTYHIYAOSJZXDP-UHFFFAOYSA-N 0 0 263.200 4.216 10 0 CIAERN CC(C)C[C@@H](C)OCc1ccc(Br)s1 ZINC000043679530 175090404 /nfs/dbraw/zinc/09/04/04/175090404.db2.gz PIOWHKYJINUEOL-SECBINFHSA-N 0 0 277.227 4.462 10 0 CIAERN CCCCCOCc1sccc1Br ZINC000043679791 175090710 /nfs/dbraw/zinc/09/07/10/175090710.db2.gz OZVLMGMQJGSVNM-UHFFFAOYSA-N 0 0 263.200 4.217 10 0 CIAERN COc1cccc(OCc2cc(Br)cs2)c1 ZINC000043687531 175094807 /nfs/dbraw/zinc/09/48/07/175094807.db2.gz IATFSNQCNYGPAJ-UHFFFAOYSA-N 0 0 299.189 4.098 10 0 CIAERN Cc1cc(F)ccc1-c1nc(Br)cs1 ZINC000044119662 175142652 /nfs/dbraw/zinc/14/26/52/175142652.db2.gz GPYWXKXIRZCZCW-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN CCc1ccc(-c2nc(Br)cs2)cc1 ZINC000044119710 175142743 /nfs/dbraw/zinc/14/27/43/175142743.db2.gz INCGJRUQIVXFOT-UHFFFAOYSA-N 0 0 268.179 4.135 10 0 CIAERN Clc1ccc2[nH]c(C=Cc3ccccc3)nc2c1 ZINC000044174988 175149124 /nfs/dbraw/zinc/14/91/24/175149124.db2.gz CGUGNORVEBALDT-RMKNXTFCSA-N 0 0 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Cc1ccncc1N[C@@H](C)c1ccc(Br)cc1 ZINC000071413238 176158592 /nfs/dbraw/zinc/15/85/92/176158592.db2.gz NJVZEINATSSRRC-NSHDSACASA-N 0 0 291.192 4.326 10 0 CIAERN CC(C)(C)c1cc2nc(-c3ccccc3)cc(Cl)n2n1 ZINC000071466755 176182859 /nfs/dbraw/zinc/18/28/59/176182859.db2.gz JWTVAJMQRFDMGN-UHFFFAOYSA-N 0 0 285.778 4.347 10 0 CIAERN Nc1ccc2nc(-c3ccccc3Cl)sc2c1 ZINC000071587223 176214318 /nfs/dbraw/zinc/21/43/18/176214318.db2.gz HIMJCOIFMCDNLI-UHFFFAOYSA-N 0 0 260.749 4.199 10 0 CIAERN CSc1cccc(NC(=S)Nc2cccc(F)c2)c1 ZINC000071761343 176261284 /nfs/dbraw/zinc/26/12/84/176261284.db2.gz XHNXVESEECBDBJ-UHFFFAOYSA-N 0 0 292.404 4.357 10 0 CIAERN CC(C)=CCc1cc2ccc(=O)oc2c2c1O[C@@H](C)C2(C)C ZINC000071973436 176305799 /nfs/dbraw/zinc/30/57/99/176305799.db2.gz BAIIXXDRGLNUDG-LBPRGKRZSA-N 0 0 298.382 4.360 10 0 CIAERN Clc1ccccc1-n1nccc1-c1ccccc1 ZINC000072190465 176335653 /nfs/dbraw/zinc/33/56/53/176335653.db2.gz SVCSXKYZVMWICW-UHFFFAOYSA-N 0 0 254.720 4.193 10 0 CIAERN Cc1cc(F)ccc1-c1csc(Br)n1 ZINC000072191787 176336183 /nfs/dbraw/zinc/33/61/83/176336183.db2.gz CRULGDCFRYGBIH-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN CCc1ccc(-c2ccc(Br)cn2)cc1 ZINC000072191835 176336261 /nfs/dbraw/zinc/33/62/61/176336261.db2.gz FBPAQVPJLNKFLL-UHFFFAOYSA-N 0 0 262.150 4.074 10 0 CIAERN Clc1ccc(-n2nccc2-c2cccs2)cc1 ZINC000072190498 176336322 /nfs/dbraw/zinc/33/63/22/176336322.db2.gz QVENJQOKKSMNJP-UHFFFAOYSA-N 0 0 260.749 4.254 10 0 CIAERN FC(F)(F)c1cc(C2CC2)ccc1Br ZINC000072193341 176336849 /nfs/dbraw/zinc/33/68/49/176336849.db2.gz NVFMOFQRYDJGOJ-UHFFFAOYSA-N 0 0 265.072 4.345 10 0 CIAERN N[C@@H](c1c(Cl)cc(Cl)cc1Cl)C(F)(F)F ZINC000072195773 176338231 /nfs/dbraw/zinc/33/82/31/176338231.db2.gz TVFRYSCTNPAJMW-ZETCQYMHSA-N 0 0 278.488 4.209 10 0 CIAERN CCCCC1CCC(C(=O)Nc2ccc(N)c(F)c2)CC1 ZINC000076855419 177122189 /nfs/dbraw/zinc/12/21/89/177122189.db2.gz CJNMFYQCMFITTD-UHFFFAOYSA-N 0 0 292.398 4.343 10 0 CIAERN CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000078820038 177393382 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/nfs/dbraw/zinc/48/44/35/262484435.db2.gz XPHSWRIIFQRJSY-SNVBAGLBSA-N 0 0 279.384 4.282 10 0 CIAERN Cc1ccc([C@@H](C)Nc2nc3ccccc3o2)cc1F ZINC000094957934 262484440 /nfs/dbraw/zinc/48/44/40/262484440.db2.gz UCNLLHQKCIWTCI-LLVKDONJSA-N 0 0 270.307 4.448 10 0 CIAERN CS[C@H]1CC[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000425350342 264024799 /nfs/dbraw/zinc/02/47/99/264024799.db2.gz LJIDYXKKIDMRLW-QWRGUYRKSA-N 0 0 261.312 4.011 10 0 CIAERN CS[C@@H]1CC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000425350338 264024902 /nfs/dbraw/zinc/02/49/02/264024902.db2.gz LJIDYXKKIDMRLW-GHMZBOCLSA-N 0 0 261.312 4.011 10 0 CIAERN C[C@H](Nc1cc(Cl)nc(C2CC2)n1)c1cccs1 ZINC000126485980 264220612 /nfs/dbraw/zinc/22/06/12/264220612.db2.gz VEEUWHIYHPJOBJ-QMMMGPOBSA-N 0 0 279.796 4.242 10 0 CIAERN FC(F)(F)[C@H]1CCC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000129834255 264339754 /nfs/dbraw/zinc/33/97/54/264339754.db2.gz LRRINLZOQCVCRJ-IUCAKERBSA-N 0 0 278.705 4.268 10 0 CIAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1cscn1 ZINC000165519994 264393342 /nfs/dbraw/zinc/39/33/42/264393342.db2.gz MCSDMKHWTXBRGX-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN CC(C)c1ccccc1N[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287610319 264626359 /nfs/dbraw/zinc/62/63/59/264626359.db2.gz JCFNSCSFAZZOLR-FZMZJTMJSA-N 0 0 287.325 4.332 10 0 CIAERN CCCCCc1ccc(NCc2cnn(C)c2C)cc1 ZINC000093649314 265186718 /nfs/dbraw/zinc/18/67/18/265186718.db2.gz WJRIBTOGEPAJBW-UHFFFAOYSA-N 0 0 271.408 4.073 10 0 CIAERN C[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)[C@H](C)O ZINC000094654882 265248902 /nfs/dbraw/zinc/24/89/02/265248902.db2.gz SZIDRBNPQXTWQZ-NWDGAFQWSA-N 0 0 276.763 4.155 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2sccc2C)c1 ZINC000094854597 265256663 /nfs/dbraw/zinc/25/66/63/265256663.db2.gz JRGCMPKWYJDILD-SNVBAGLBSA-N 0 0 265.353 4.377 10 0 CIAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000094837058 265262075 /nfs/dbraw/zinc/26/20/75/265262075.db2.gz QIFPQRVUBDZHEN-STQMWFEESA-N 0 0 261.340 4.447 10 0 CIAERN CC[C@@H](Nc1cc(OC)ccc1F)c1ccccc1OC ZINC000094854365 265265048 /nfs/dbraw/zinc/26/50/48/265265048.db2.gz HYWUIUDASIRNMR-OAHLLOKOSA-N 0 0 289.350 4.406 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2cc(F)ccc2F)c1 ZINC000094854576 265265073 /nfs/dbraw/zinc/26/50/73/265265073.db2.gz SNZUKKJGIHCEKQ-SECBINFHSA-N 0 0 281.277 4.286 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccncc2Cl)cc1F ZINC000094957810 265279101 /nfs/dbraw/zinc/27/91/01/265279101.db2.gz GPHJPTSHHHLIFI-JTQLQIEISA-N 0 0 264.731 4.356 10 0 CIAERN CC(C)C[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116045774 267121331 /nfs/dbraw/zinc/12/13/31/267121331.db2.gz RLOKGOVPQXMFLN-ZIAGYGMSSA-N 0 0 263.381 4.015 10 0 CIAERN C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1cccs1 ZINC000170858818 327667378 /nfs/dbraw/zinc/66/73/78/327667378.db2.gz XHMSYBXOIMMNOO-LLVKDONJSA-N 0 0 291.391 4.042 10 0 CIAERN CCN(C(=O)N[C@H](C)C(C)(C)C)[C@H](C)Cc1ccsc1 ZINC000187091779 327709514 /nfs/dbraw/zinc/70/95/14/327709514.db2.gz VYMCODMJZIJGIA-CHWSQXEVSA-N 0 0 296.480 4.145 10 0 CIAERN CCOc1ccc(N[C@H](C)c2cncs2)cc1Cl ZINC000165094915 327725908 /nfs/dbraw/zinc/72/59/08/327725908.db2.gz SCXSOVWDAYYCRW-SECBINFHSA-N 0 0 282.796 4.368 10 0 CIAERN Cc1nc(CN[C@@H]2c3ccccc3CCC2(C)C)oc1C ZINC000183129618 327758097 /nfs/dbraw/zinc/75/80/97/327758097.db2.gz RXEMWOWOEHOJDB-QGZVFWFLSA-N 0 0 284.403 4.095 10 0 CIAERN Cc1nc(CN[C@@H](C)c2ccc3ccccc3c2)cs1 ZINC000040418841 327906559 /nfs/dbraw/zinc/90/65/59/327906559.db2.gz XEGUZAAOLBGJFU-LBPRGKRZSA-N 0 0 282.412 4.456 10 0 CIAERN Cc1ccc(CNc2ccc(C(F)(F)F)cc2)nc1 ZINC000121729145 327922268 /nfs/dbraw/zinc/92/22/68/327922268.db2.gz VQHQZYKXNMWYCI-UHFFFAOYSA-N 0 0 266.266 4.021 10 0 CIAERN CSc1ccc(C)c(C(=O)N[C@@H](C)c2cccs2)c1 ZINC000048421426 328308115 /nfs/dbraw/zinc/30/81/15/328308115.db2.gz NQOPUEMMTFODDB-NSHDSACASA-N 0 0 291.441 4.269 10 0 CIAERN CC(C)[C@@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000048851135 328325694 /nfs/dbraw/zinc/32/56/94/328325694.db2.gz BQWDIFNVOZCQCV-IAQYHMDHSA-N 0 0 294.826 4.135 10 0 CIAERN O=C(Nc1ccccc1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000048954911 328326661 /nfs/dbraw/zinc/32/66/61/328326661.db2.gz TWIOTVVFCSUXLT-OAHLLOKOSA-N 0 0 286.762 4.149 10 0 CIAERN Cc1nc(CN[C@@H](C)c2ccc(C(C)C)cc2)oc1C ZINC000064138143 328337540 /nfs/dbraw/zinc/33/75/40/328337540.db2.gz HTXWUACDRIDUSU-ZDUSSCGKSA-N 0 0 272.392 4.266 10 0 CIAERN CC[C@H](C)c1noc(-c2ccc3ccccc3c2O)n1 ZINC000111686671 328374442 /nfs/dbraw/zinc/37/44/42/328374442.db2.gz DHSLOMWKNUHHEB-JTQLQIEISA-N 0 0 268.316 4.109 10 0 CIAERN Cc1ccc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)c(O)c1 ZINC000111689046 328374850 /nfs/dbraw/zinc/37/48/50/328374850.db2.gz SFOAKBQXMACMQH-PWSUYJOCSA-N 0 0 272.348 4.044 10 0 CIAERN CC(C)[C@@H](C)NC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000112739875 328447382 /nfs/dbraw/zinc/44/73/82/328447382.db2.gz RCKIQRSYXLXPOK-ZBFHGGJFSA-N 0 0 276.424 4.070 10 0 CIAERN CCC[C@H](C)CC(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000109705854 326864169 /nfs/dbraw/zinc/86/41/69/326864169.db2.gz TUGFGWCCHCAVGI-GXTWGEPZSA-N 0 0 277.408 4.007 10 0 CIAERN Fc1cccc2c1CC[C@H]2NCc1ccsc1Cl ZINC000312751707 326960498 /nfs/dbraw/zinc/96/04/98/326960498.db2.gz ITXRCMQDXOCNMZ-CYBMUJFWSA-N 0 0 281.783 4.318 10 0 CIAERN CCCn1ccc(CNc2ccc3oc(CC)nc3c2)c1 ZINC000091012537 327165386 /nfs/dbraw/zinc/16/53/86/327165386.db2.gz QTYNWYZKLLYUHZ-UHFFFAOYSA-N 0 0 283.375 4.214 10 0 CIAERN CCCn1ccc(CNc2ccc(C)cc2OCC)c1 ZINC000091012433 327165410 /nfs/dbraw/zinc/16/54/10/327165410.db2.gz AGKLDSMGNYHCMI-UHFFFAOYSA-N 0 0 272.392 4.217 10 0 CIAERN FC(F)(F)c1ccc(N[C@@H]2CCOc3ccccc32)nc1 ZINC000047915288 327276263 /nfs/dbraw/zinc/27/62/63/327276263.db2.gz CZYTZPOYITWUAK-GFCCVEGCSA-N 0 0 294.276 4.036 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cc(C)c(F)cc2Cl)o1 ZINC000163327380 327530383 /nfs/dbraw/zinc/53/03/83/327530383.db2.gz IRUFRHISJOXPFA-JTQLQIEISA-N 0 0 295.741 4.180 10 0 CIAERN CC[C@@H](SC)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000125503368 327609693 /nfs/dbraw/zinc/60/96/93/327609693.db2.gz BRVWIINPUMQRLS-GXFFZTMASA-N 0 0 285.840 4.001 10 0 CIAERN C[C@@H](NCc1nc2ccccc2[nH]1)c1ccc(Cl)s1 ZINC000054375614 328692340 /nfs/dbraw/zinc/69/23/40/328692340.db2.gz JBZQUJJKNCNWPX-SECBINFHSA-N 0 0 291.807 4.129 10 0 CIAERN Cc1cccc(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000302241888 328831895 /nfs/dbraw/zinc/83/18/95/328831895.db2.gz OPJMMSYZUVOQGF-ZIAGYGMSSA-N 0 0 258.752 4.011 10 0 CIAERN CCS[C@@H]1CC[C@@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000218049310 329066940 /nfs/dbraw/zinc/06/69/40/329066940.db2.gz DCHGSNYNHNMDRW-GHMZBOCLSA-N 0 0 297.855 4.094 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(C(F)F)c2)o1 ZINC000171435790 329075857 /nfs/dbraw/zinc/07/58/57/329075857.db2.gz NUXNFPOPVPQERL-SNVBAGLBSA-N 0 0 279.286 4.017 10 0 CIAERN O=C(CC1CCCCCC1)N1CCC[C@H]1c1ccco1 ZINC000176601847 329177196 /nfs/dbraw/zinc/17/71/96/329177196.db2.gz KYFYJKVJHIZVSD-HNNXBMFYSA-N 0 0 275.392 4.304 10 0 CIAERN CCc1ccc([C@H]2CCCCN2Cc2ncc(C)s2)o1 ZINC000180509099 329220228 /nfs/dbraw/zinc/22/02/28/329220228.db2.gz ZSRFYJDGOFQHHP-CQSZACIVSA-N 0 0 290.432 4.334 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2coc(C)c2)o1 ZINC000187311452 329355297 /nfs/dbraw/zinc/35/52/97/329355297.db2.gz VNTHCCBSYXDZCK-HNNXBMFYSA-N 0 0 287.359 4.111 10 0 CIAERN c1csc([C@H]2CCCCN2Cc2nc3ccccc3o2)n1 ZINC000195366074 329691375 /nfs/dbraw/zinc/69/13/75/329691375.db2.gz UQSBXUMZFCJFFF-CYBMUJFWSA-N 0 0 299.399 4.012 10 0 CIAERN C[C@H](c1ccccn1)N(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000245663114 329721405 /nfs/dbraw/zinc/72/14/05/329721405.db2.gz GDWMETPYHRUYAX-KFWWJZLASA-N 0 0 288.435 4.063 10 0 CIAERN C[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000247469459 329880983 /nfs/dbraw/zinc/88/09/83/329880983.db2.gz RSUKHSAOSZLRJA-MCIONIFRSA-N 0 0 292.448 4.023 10 0 CIAERN Cc1ccc(N)cc1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000262376312 330011455 /nfs/dbraw/zinc/01/14/55/330011455.db2.gz NCFQCQWTZVIDPZ-AWEZNQCLSA-N 0 0 296.414 4.192 10 0 CIAERN Cc1ccc(N)cc1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000262376313 330011471 /nfs/dbraw/zinc/01/14/71/330011471.db2.gz NCFQCQWTZVIDPZ-CQSZACIVSA-N 0 0 296.414 4.192 10 0 CIAERN CC(C)n1ccnc1CSc1cccc(Cl)c1 ZINC000171021153 330125809 /nfs/dbraw/zinc/12/58/09/330125809.db2.gz YISZURCIWRRVJT-UHFFFAOYSA-N 0 0 266.797 4.410 10 0 CIAERN Cc1ccc(CCCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000044315254 330327541 /nfs/dbraw/zinc/32/75/41/330327541.db2.gz SSYJZYCKGUXEOP-AWEZNQCLSA-N 0 0 287.428 4.257 10 0 CIAERN CC(C)CCC[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000044367243 330329488 /nfs/dbraw/zinc/32/94/88/330329488.db2.gz VEKTZAJCKACLFH-AWEZNQCLSA-N 0 0 287.403 4.135 10 0 CIAERN Cc1[nH]c2c(cccc2C(=O)N[C@@H](C)c2cccs2)c1C ZINC000044915548 330333862 /nfs/dbraw/zinc/33/38/62/330333862.db2.gz MTNMALLLUSTEMG-LBPRGKRZSA-N 0 0 298.411 4.337 10 0 CIAERN CCn1nc(C)c([C@H](C)Nc2ccc(Cl)cc2)c1C ZINC000045167483 330340627 /nfs/dbraw/zinc/34/06/27/330340627.db2.gz CULNHQVGMAMIBR-JTQLQIEISA-N 0 0 277.799 4.346 10 0 CIAERN Cc1cccnc1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000071338925 330372139 /nfs/dbraw/zinc/37/21/39/330372139.db2.gz LSDBLCLWSPEBKF-HNNXBMFYSA-N 0 0 268.404 4.364 10 0 CIAERN O=Cc1cccc(F)c1-c1c(F)cccc1Br ZINC000536957335 330383454 /nfs/dbraw/zinc/38/34/54/330383454.db2.gz FIROIPGYCIZYFJ-UHFFFAOYSA-N 0 0 297.098 4.207 10 0 CIAERN Fc1ccccc1-c1cc(Br)cs1 ZINC000536958672 330383833 /nfs/dbraw/zinc/38/38/33/330383833.db2.gz HJYZHAHVKCSCAR-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN C[C@@H](NC(=O)N(C)CCC1CC1)c1ccc2ccccc2c1 ZINC000120072161 330385382 /nfs/dbraw/zinc/38/53/82/330385382.db2.gz WWWAWKGMFRULAC-CQSZACIVSA-N 0 0 296.414 4.342 10 0 CIAERN Clc1cc(N2CCC[C@H]3CCCC[C@@H]32)nc(C2CC2)n1 ZINC000162839599 330961224 /nfs/dbraw/zinc/96/12/24/330961224.db2.gz YIUZUSGLYJYIJH-YPMHNXCESA-N 0 0 291.826 4.166 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1ccncc1Br ZINC000163908879 331138735 /nfs/dbraw/zinc/13/87/35/331138735.db2.gz AWFOJNZWQGDSRI-NSHDSACASA-N 0 0 291.192 4.326 10 0 CIAERN CC(C)OCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000163905150 331138787 /nfs/dbraw/zinc/13/87/87/331138787.db2.gz UJHNMUAMWXRSOG-VIFPVBQESA-N 0 0 294.197 4.208 10 0 CIAERN C[C@H](Nc1ccc(OC(F)F)c(F)c1)c1cncs1 ZINC000165183988 331305977 /nfs/dbraw/zinc/30/59/77/331305977.db2.gz XMDQMDXVASVLEH-ZETCQYMHSA-N 0 0 288.294 4.057 10 0 CIAERN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1cncs1 ZINC000165517318 331306247 /nfs/dbraw/zinc/30/62/47/331306247.db2.gz NPRIAYPZAOAWFP-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN C[C@H](Nc1cccc2ccccc21)c1cncs1 ZINC000165514791 331306278 /nfs/dbraw/zinc/30/62/78/331306278.db2.gz ZFPAAOSIQLDFEA-NSHDSACASA-N 0 0 254.358 4.469 10 0 CIAERN Cc1ccc2cccc(N[C@@H](C)c3cncs3)c2n1 ZINC000165607232 331306310 /nfs/dbraw/zinc/30/63/10/331306310.db2.gz YWHXESLQBDXDNE-NSHDSACASA-N 0 0 269.373 4.173 10 0 CIAERN Cc1ccc(N[C@H](C)c2cncs2)c2cccnc12 ZINC000165594945 331306313 /nfs/dbraw/zinc/30/63/13/331306313.db2.gz WSXWNUYWNDGADI-LLVKDONJSA-N 0 0 269.373 4.173 10 0 CIAERN CC[C@H](C)CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000167435153 331308234 /nfs/dbraw/zinc/30/82/34/331308234.db2.gz DOHMQYSNWAXHNP-WDEREUQCSA-N 0 0 298.224 4.063 10 0 CIAERN CCc1ccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000172246053 335098806 /nfs/dbraw/zinc/09/88/06/335098806.db2.gz YVSDJQYEOJLFAL-MRXNPFEDSA-N 0 0 299.418 4.093 10 0 CIAERN CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000175192908 333016732 /nfs/dbraw/zinc/01/67/32/333016732.db2.gz BQGHZPGKZMMBGW-FPMFFAJLSA-N 0 0 292.423 4.258 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)N2CCC3(C2)CCCCC3)o1 ZINC000175335286 333021968 /nfs/dbraw/zinc/02/19/68/333021968.db2.gz LAHYCHBJBGZKJO-CQSZACIVSA-N 0 0 290.407 4.015 10 0 CIAERN C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000175935314 333037836 /nfs/dbraw/zinc/03/78/36/333037836.db2.gz TWEBBOUMRFXHKY-FXMSTWTQSA-N 0 0 289.375 4.168 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C/C=C/c2cccc(F)c2)o1 ZINC000175979728 333038372 /nfs/dbraw/zinc/03/83/72/333038372.db2.gz QASCVKTZRGWUTC-BPJJOFIESA-N 0 0 287.334 4.008 10 0 CIAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H](C)C2CC2)cc1 ZINC000178387746 333072002 /nfs/dbraw/zinc/07/20/02/333072002.db2.gz FTCBFOQPCKWAQW-OLZOCXBDSA-N 0 0 259.393 4.033 10 0 CIAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@@H](C)C2CC2)cc1 ZINC000178387706 333072013 /nfs/dbraw/zinc/07/20/13/333072013.db2.gz FTCBFOQPCKWAQW-QWHCGFSZSA-N 0 0 259.393 4.033 10 0 CIAERN Cc1ccc([C@H](C)Nc2cn(C)nc2C(C)C)cc1 ZINC000311911813 333074373 /nfs/dbraw/zinc/07/43/73/333074373.db2.gz FDBYCFJKSNYDSD-ZDUSSCGKSA-N 0 0 257.381 4.025 10 0 CIAERN Cc1cccnc1NC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000178838067 333078098 /nfs/dbraw/zinc/07/80/98/333078098.db2.gz YBABOKQGQOCIJR-LRDDRELGSA-N 0 0 295.386 4.150 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)CCc2cccs2)cc1F ZINC000088233975 333087331 /nfs/dbraw/zinc/08/73/31/333087331.db2.gz UEUACIZOPUZRQJ-LBPRGKRZSA-N 0 0 291.391 4.006 10 0 CIAERN CCN(C(=O)N[C@@H](C)c1ccc(C)c(F)c1)C1CCCC1 ZINC000088784763 333092122 /nfs/dbraw/zinc/09/21/22/333092122.db2.gz GNGHQYWWSCKNFJ-ZDUSSCGKSA-N 0 0 292.398 4.169 10 0 CIAERN Cc1ccnn1-c1ccccc1N[C@H](C)c1cncc(C)c1 ZINC000184488906 333129206 /nfs/dbraw/zinc/12/92/06/333129206.db2.gz LWHZRYLIQNBGPD-OAHLLOKOSA-N 0 0 292.386 4.057 10 0 CIAERN C=Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000185245546 333137530 /nfs/dbraw/zinc/13/75/30/333137530.db2.gz SMCDOQNQPILENY-UONOGXRCSA-N 0 0 297.320 4.181 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@]2(C)C(C)C)o1 ZINC000186501903 333161937 /nfs/dbraw/zinc/16/19/37/333161937.db2.gz ZHYOJSSJGBBOPB-VKJFTORMSA-N 0 0 289.419 4.324 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)o2)c(C)c1 ZINC000220965364 333171427 /nfs/dbraw/zinc/17/14/27/333171427.db2.gz ZDGWEDHNIXHYPI-NSHDSACASA-N 0 0 277.751 4.041 10 0 CIAERN CCc1cccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000188979111 333176900 /nfs/dbraw/zinc/17/69/00/333176900.db2.gz WHRSAFBKKYLJSQ-MRXNPFEDSA-N 0 0 299.418 4.093 10 0 CIAERN OCc1cccc(N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000191943769 333227498 /nfs/dbraw/zinc/22/74/98/333227498.db2.gz KIIVJQHFBPYHNS-QZTJIDSGSA-N 0 0 285.362 4.066 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)Nc2ncc(C(C)C)s2)o1 ZINC000192397155 333235389 /nfs/dbraw/zinc/23/53/89/333235389.db2.gz PSOGKQBMNLZLJR-SNVBAGLBSA-N 0 0 293.392 4.051 10 0 CIAERN CCC(CC)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000192975483 333240832 /nfs/dbraw/zinc/24/08/32/333240832.db2.gz DHNGXRXILQTXAU-LLVKDONJSA-N 0 0 267.800 4.296 10 0 CIAERN Cc1c(Cl)cccc1C(=O)N[C@@H](C)c1cccs1 ZINC000195304154 333249842 /nfs/dbraw/zinc/24/98/42/333249842.db2.gz LIYSNJXTTQDJQU-JTQLQIEISA-N 0 0 279.792 4.201 10 0 CIAERN Cc1ccccc1C(C)(C)C(=O)N[C@H](C)c1cccs1 ZINC000194739566 333276926 /nfs/dbraw/zinc/27/69/26/333276926.db2.gz NGAWJFZKCUVVLE-CYBMUJFWSA-N 0 0 287.428 4.212 10 0 CIAERN C[C@@H](NC(=O)C(C)(C)c1ccccc1F)c1cccs1 ZINC000194770404 333277275 /nfs/dbraw/zinc/27/72/75/333277275.db2.gz LIOWFKXTASYOOF-LLVKDONJSA-N 0 0 291.391 4.042 10 0 CIAERN C[C@H](NC(=O)CC(C)(C)c1ccccc1)c1cccs1 ZINC000194886457 333278655 /nfs/dbraw/zinc/27/86/55/333278655.db2.gz FRUPRMIKAZYHHJ-ZDUSSCGKSA-N 0 0 287.428 4.293 10 0 CIAERN FC(F)(F)c1nsc(N[C@@H]2CCCc3ccccc32)n1 ZINC000228777922 333296946 /nfs/dbraw/zinc/29/69/46/333296946.db2.gz DVLKDSDCYRTUQM-SNVBAGLBSA-N 0 0 299.321 4.046 10 0 CIAERN Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[C@@H]1C ZINC000230042839 333312555 /nfs/dbraw/zinc/31/25/55/333312555.db2.gz KXJBJOKXRRXBHC-CABZTGNLSA-N 0 0 296.208 4.132 10 0 CIAERN CCc1ncnc(N[C@@H](C)c2cccc(Cl)c2)c1F ZINC000230355066 333316716 /nfs/dbraw/zinc/31/67/16/333316716.db2.gz RNWYJDOOCWMUEC-VIFPVBQESA-N 0 0 279.746 4.005 10 0 CIAERN CC[C@H](Nc1ccc(C)c(NC(C)=O)c1)[C@@H]1CC1(C)C ZINC000397694465 333427347 /nfs/dbraw/zinc/42/73/47/333427347.db2.gz NYWONQBIIJEMPX-GJZGRUSLSA-N 0 0 274.408 4.190 10 0 CIAERN CC[C@@H](Nc1ccc(C)c(NC(C)=O)c1)[C@@H]1CC1(C)C ZINC000397694467 333427351 /nfs/dbraw/zinc/42/73/51/333427351.db2.gz NYWONQBIIJEMPX-LSDHHAIUSA-N 0 0 274.408 4.190 10 0 CIAERN CCc1csc(N[C@@H]2CCCc3ccccc32)n1 ZINC000061894728 333475196 /nfs/dbraw/zinc/47/51/96/333475196.db2.gz RDSZALODYWGXFM-CQSZACIVSA-N 0 0 258.390 4.195 10 0 CIAERN c1cc(-c2cccc(N[C@H]3CCc4ccccc43)c2)n[nH]1 ZINC000037137344 333496754 /nfs/dbraw/zinc/49/67/54/333496754.db2.gz KPUOSNCWBPDCMG-SFHVURJKSA-N 0 0 275.355 4.176 10 0 CIAERN CC[C@@H](Nc1ccccc1C)c1ccc2c(c1)CCO2 ZINC000037216459 333515765 /nfs/dbraw/zinc/51/57/65/333515765.db2.gz JXUDDEUGLUMANY-MRXNPFEDSA-N 0 0 267.372 4.493 10 0 CIAERN COc1ccc([C@@H](Nc2cccc(OC)c2)C2CC2)cc1 ZINC000037215483 333515807 /nfs/dbraw/zinc/51/58/07/333515807.db2.gz WJGLSUZPJVCXHF-SFHVURJKSA-N 0 0 283.371 4.267 10 0 CIAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2ccco2)cc1 ZINC000127426210 333628990 /nfs/dbraw/zinc/62/89/90/333628990.db2.gz XNDQWGYDNLYBQL-ROUUACIJSA-N 0 0 297.398 4.165 10 0 CIAERN CCC[C@@H](C)CC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127563690 333631776 /nfs/dbraw/zinc/63/17/76/333631776.db2.gz CTBBECKILOZPJW-HIFRSBDPSA-N 0 0 277.408 4.468 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC2CCCC2)o1 ZINC000128574178 333688800 /nfs/dbraw/zinc/68/88/00/333688800.db2.gz GUYBWEUNRHOGOX-INIZCTEOSA-N 0 0 289.419 4.476 10 0 CIAERN Cc1oncc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000129687402 333788003 /nfs/dbraw/zinc/78/80/03/333788003.db2.gz JJNRCNFWKGAAFL-QMMMGPOBSA-N 0 0 285.174 4.141 10 0 CIAERN CCC[C@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000131853024 333967834 /nfs/dbraw/zinc/96/78/34/333967834.db2.gz UYMGICFRDIGNSA-AVGNSLFASA-N 0 0 293.373 4.296 10 0 CIAERN Cc1cc(C)cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000073434291 333972690 /nfs/dbraw/zinc/97/26/90/333972690.db2.gz RPRMRAJXGOXMRC-KGLIPLIRSA-N 0 0 299.336 4.154 10 0 CIAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)o1 ZINC000074306407 334002877 /nfs/dbraw/zinc/00/28/77/334002877.db2.gz KFKPPXBYTCHQFU-SECBINFHSA-N 0 0 298.169 4.420 10 0 CIAERN Cc1cnccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000076995745 334092841 /nfs/dbraw/zinc/09/28/41/334092841.db2.gz FQOLWNCTKZOPCF-IRXDYDNUSA-N 0 0 294.398 4.256 10 0 CIAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@H]1CC=CCC1 ZINC000077639542 334110545 /nfs/dbraw/zinc/11/05/45/334110545.db2.gz HMVJNHCIVCRIQE-DOMZBBRYSA-N 0 0 292.810 4.151 10 0 CIAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H]1CC=CCC1 ZINC000077639546 334110647 /nfs/dbraw/zinc/11/06/47/334110647.db2.gz HMVJNHCIVCRIQE-IUODEOHRSA-N 0 0 292.810 4.151 10 0 CIAERN C[C@@H](NC(=O)CC1CCC1)c1ccc2ccccc2c1 ZINC000079295193 334151334 /nfs/dbraw/zinc/15/13/34/334151334.db2.gz WVIGJOHYPXDYRH-CYBMUJFWSA-N 0 0 267.372 4.207 10 0 CIAERN CC[C@H]1CC[C@@H](Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000080427104 334171267 /nfs/dbraw/zinc/17/12/67/334171267.db2.gz LLBHUHOHGCWPHH-BLLLJJGKSA-N 0 0 272.392 4.026 10 0 CIAERN CC[C@@H]1CC[C@@H](Nc2cccc(C(=O)N(CC)CC)c2)C1 ZINC000080427439 334171285 /nfs/dbraw/zinc/17/12/85/334171285.db2.gz SFCUQCVOSBTNPC-RHSMWYFYSA-N 0 0 288.435 4.159 10 0 CIAERN CC[C@@H]1CC[C@H](Nc2cccc(C(=O)N(CC)CC)c2)C1 ZINC000080427432 334171301 /nfs/dbraw/zinc/17/13/01/334171301.db2.gz SFCUQCVOSBTNPC-PBHICJAKSA-N 0 0 288.435 4.159 10 0 CIAERN CC[C@H]1CC[C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000080427882 334171303 /nfs/dbraw/zinc/17/13/03/334171303.db2.gz COYWFBWHWBGOME-BLLLJJGKSA-N 0 0 272.392 4.026 10 0 CIAERN CC[C@@H]1CC[C@H](Nc2ccccc2N2CCCC2)C1 ZINC000080438167 334171503 /nfs/dbraw/zinc/17/15/03/334171503.db2.gz MHFVNRZBLQKEHF-CABCVRRESA-N 0 0 258.409 4.277 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)C/C=C/c2ccc(F)cc2)o1 ZINC000080550609 334172531 /nfs/dbraw/zinc/17/25/31/334172531.db2.gz LAWAXIRUHUMNKT-ITDFMYJTSA-N 0 0 287.334 4.008 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2CC[C@@H](C)C2)o1 ZINC000247665386 334287617 /nfs/dbraw/zinc/28/76/17/334287617.db2.gz QJVDNMKTVLDJGP-KBMXLJTQSA-N 0 0 289.419 4.468 10 0 CIAERN CC[C@H]1CC[C@H](C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000249094072 334327349 /nfs/dbraw/zinc/32/73/49/334327349.db2.gz FDZKGFLEKGIJFP-AVGNSLFASA-N 0 0 265.422 4.142 10 0 CIAERN CC[C@H](C)Oc1cccc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000251300761 334359478 /nfs/dbraw/zinc/35/94/78/334359478.db2.gz BOGZGNVAWDZHPN-WBQNTZJQSA-N 0 0 289.419 4.089 10 0 CIAERN Cc1cc(C)n(-c2cccc(N[C@H](C)c3cccnc3)c2)n1 ZINC000182875121 335848516 /nfs/dbraw/zinc/84/85/16/335848516.db2.gz YMHQIZDWPJRTSG-OAHLLOKOSA-N 0 0 292.386 4.057 10 0 CIAERN CC[C@@H](Nc1ccc(OC(F)F)cn1)c1ccccc1 ZINC000380846473 336036623 /nfs/dbraw/zinc/03/66/23/336036623.db2.gz RDIQDPCATVJYLT-CYBMUJFWSA-N 0 0 278.302 4.246 10 0 CIAERN CC(C)c1nnc(CS[C@H](C)c2ccc(F)cc2)n1C ZINC000194700117 336037615 /nfs/dbraw/zinc/03/76/15/336037615.db2.gz GPIUXLKHQUBTLD-LLVKDONJSA-N 0 0 293.411 4.072 10 0 CIAERN CC(C)c1nn(C)cc1N[C@H]1C[C@@H](C)c2ccccc21 ZINC000383604826 336114954 /nfs/dbraw/zinc/11/49/54/336114954.db2.gz KBIAWAINBLBQIP-DOMZBBRYSA-N 0 0 269.392 4.204 10 0 CIAERN CC(C)CN(CC(C)C)c1nc(Cl)c2c(n1)CCCC2 ZINC000057345745 519713693 /nfs/dbraw/zinc/71/36/93/519713693.db2.gz MUMJXUQUQPPDKC-UHFFFAOYSA-N 0 0 295.858 4.127 10 0 CIAERN CCNc1nc(-c2cccs2)nc(C)c1C(C)C ZINC000061687455 520350888 /nfs/dbraw/zinc/35/08/88/520350888.db2.gz DZJKOAZITRBPJZ-UHFFFAOYSA-N 0 0 261.394 4.069 10 0 CIAERN CCc1csc(NCCc2ccc(Cl)cc2)n1 ZINC000061894567 522108782 /nfs/dbraw/zinc/10/87/82/522108782.db2.gz VXKSMTYDBQMPJD-UHFFFAOYSA-N 0 0 266.797 4.014 10 0 CIAERN COC[C@@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000103356395 522175743 /nfs/dbraw/zinc/17/57/43/522175743.db2.gz RYHFTYJOGAATNN-CYBMUJFWSA-N 0 0 277.408 4.154 10 0 CIAERN CSc1ccc(CN(C)c2nnc(C(C)C)s2)cc1 ZINC000301726282 534205349 /nfs/dbraw/zinc/20/53/49/534205349.db2.gz MUMVBYWLILLPFW-UHFFFAOYSA-N 0 0 293.461 4.020 10 0 CIAERN CCc1nc(CNc2cc(Cl)ccc2F)cs1 ZINC000050285612 517861268 /nfs/dbraw/zinc/86/12/68/517861268.db2.gz ODWFSFWCQYHADL-UHFFFAOYSA-N 0 0 270.760 4.110 10 0 CIAERN Brc1ccc(COCc2cccs2)cc1 ZINC000049601226 518212403 /nfs/dbraw/zinc/21/24/03/518212403.db2.gz VSMZATFCQYVBCX-UHFFFAOYSA-N 0 0 283.190 4.227 10 0 CIAERN CC(C)(C)C(=O)CCCOc1ccc(Br)cc1 ZINC000049596721 518554847 /nfs/dbraw/zinc/55/48/47/518554847.db2.gz NEZKCZVCOSVZMS-UHFFFAOYSA-N 0 0 299.208 4.223 10 0 CIAERN CC(C)(C)c1ccc2nc(C(F)(F)F)cc(N)c2c1 ZINC000050870639 519053417 /nfs/dbraw/zinc/05/34/17/519053417.db2.gz LXMGMOKMJSJKNW-UHFFFAOYSA-N 0 0 268.282 4.133 10 0 CIAERN CC(C)(C)c1nc(N)sc1Cc1cccc(Cl)c1F ZINC000050266583 519102745 /nfs/dbraw/zinc/10/27/45/519102745.db2.gz 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CC(C)n1c2cc(F)ccc2nc1-c1ccccc1N ZINC000052124975 519925480 /nfs/dbraw/zinc/92/54/80/519925480.db2.gz MNMBQCZNSHZJNJ-UHFFFAOYSA-N 0 0 269.323 4.006 10 0 CIAERN CCCCCC[C@@H](C)OCc1cccnc1NCC ZINC000052755187 520120783 /nfs/dbraw/zinc/12/07/83/520120783.db2.gz FTHQNDSQSLSNIF-CQSZACIVSA-N 0 0 264.413 4.389 10 0 CIAERN CCCNc1ccc(Cl)cc1C(=O)N[C@H](C)CCC ZINC000050719191 520163032 /nfs/dbraw/zinc/16/30/32/520163032.db2.gz RIYNZZFEKPTCOD-LLVKDONJSA-N 0 0 282.815 4.080 10 0 CIAERN CCCNc1nc(-c2ccsc2)nc2sccc21 ZINC000050841625 520185732 /nfs/dbraw/zinc/18/57/32/520185732.db2.gz QJAKJBBGCSIRKM-UHFFFAOYSA-N 0 0 275.402 4.242 10 0 CIAERN CCNc1cc(C(F)F)nc2ccc(CC)cc21 ZINC000061629572 520265720 /nfs/dbraw/zinc/26/57/20/520265720.db2.gz QSJYXCCIOZQFJL-UHFFFAOYSA-N 0 0 250.292 4.167 10 0 CIAERN CCNc1cc(C(C)C)nc(-c2cc(C)sc2C)n1 ZINC000050865352 520265867 /nfs/dbraw/zinc/26/58/67/520265867.db2.gz FEULUGADROCNOK-UHFFFAOYSA-N 0 0 275.421 4.377 10 0 CIAERN CCNc1cc(C(C)C)nc2c(F)ccc(F)c12 ZINC000050869842 520266438 /nfs/dbraw/zinc/26/64/38/520266438.db2.gz BEVSNKIYWPRJJU-UHFFFAOYSA-N 0 0 250.292 4.068 10 0 CIAERN CCCOc1ccc(-c2nc3c(c(Cl)n2)CCC3)cc1 ZINC000052919496 520315658 /nfs/dbraw/zinc/31/56/58/520315658.db2.gz DDCXXYJCYAEMPV-UHFFFAOYSA-N 0 0 288.778 4.075 10 0 CIAERN CCCOc1ccc(-c2cc(C=O)ccc2F)cc1 ZINC000055244039 520316645 /nfs/dbraw/zinc/31/66/45/520316645.db2.gz TUIBCVWQMAYFPZ-UHFFFAOYSA-N 0 0 258.292 4.094 10 0 CIAERN Cc1ccc2[nH]c(-c3cc(Cl)c(N)c(Cl)c3)nc2c1 ZINC000126359968 534487169 /nfs/dbraw/zinc/48/71/69/534487169.db2.gz WCBNLXDKHNYYOM-UHFFFAOYSA-N 0 0 292.169 4.427 10 0 CIAERN CCNc1ncccc1COc1ccc(Cl)cc1Cl ZINC000052754539 520377674 /nfs/dbraw/zinc/37/76/74/520377674.db2.gz WNJPLGLWLUMAQZ-UHFFFAOYSA-N 0 0 297.185 4.399 10 0 CIAERN CCCCOCCOc1c(Cl)cc(Cl)cc1C=O ZINC000049262360 520792111 /nfs/dbraw/zinc/79/21/11/520792111.db2.gz AEOQLOLMFZVYPX-UHFFFAOYSA-N 0 0 291.174 4.001 10 0 CIAERN CCC[C@@H](Nc1cccc(F)c1N)c1cccs1 ZINC000049542379 520795073 /nfs/dbraw/zinc/79/50/73/520795073.db2.gz VECJJJLYMMIEAY-LLVKDONJSA-N 0 0 264.369 4.423 10 0 CIAERN CCC[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127977031 520994503 /nfs/dbraw/zinc/99/45/03/520994503.db2.gz ASCFCQKVGPEDMF-JSGCOSHPSA-N 0 0 263.381 4.078 10 0 CIAERN CCC[C@H](c1cccs1)n1c(=S)[nH]nc1C1CC1 ZINC000049546407 521196816 /nfs/dbraw/zinc/19/68/16/521196816.db2.gz DJBREBRHXOFOPD-SNVBAGLBSA-N 0 0 279.434 4.269 10 0 CIAERN CCc1ccccc1Nc1ccc(C(N)=S)c(Cl)c1 ZINC000061849059 521911128 /nfs/dbraw/zinc/91/11/28/521911128.db2.gz XXIUEDXCINBZBI-UHFFFAOYSA-N 0 0 290.819 4.280 10 0 CIAERN CCc1nc(-c2cccc(Cl)c2)nc(Cl)c1C ZINC000045955999 522148183 /nfs/dbraw/zinc/14/81/83/522148183.db2.gz QLPQWEAYWRFDBF-UHFFFAOYSA-N 0 0 267.159 4.321 10 0 CIAERN CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)COC)c(C)c1 ZINC000103388967 522275543 /nfs/dbraw/zinc/27/55/43/522275543.db2.gz UERVRVRZBYLNMS-QWHCGFSZSA-N 0 0 295.448 4.107 10 0 CIAERN CC[C@H](Nc1ccc(N)cc1F)c1cccs1 ZINC000049529165 522766342 /nfs/dbraw/zinc/76/63/42/522766342.db2.gz LMARVWMEVYUUCD-NSHDSACASA-N 0 0 250.342 4.033 10 0 CIAERN CC[C@H](O)c1ccc(-c2cccc(Cl)c2C)o1 ZINC000054107426 522828781 /nfs/dbraw/zinc/82/87/81/522828781.db2.gz JPUAUWYJWPTAEE-LBPRGKRZSA-N 0 0 250.725 4.352 10 0 CIAERN CC[C@H](O)c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000054107384 522828976 /nfs/dbraw/zinc/82/89/76/522828976.db2.gz ZFNSNLYRKVOORC-LBPRGKRZSA-N 0 0 250.725 4.352 10 0 CIAERN CC[C@@H](N[C@H](C)c1csc(C)n1)c1cccs1 ZINC000049529407 522939927 /nfs/dbraw/zinc/93/99/27/522939927.db2.gz SHMBYLCHPNSGJK-MWLCHTKSSA-N 0 0 266.435 4.315 10 0 CIAERN CC[C@@H](Nc1cc(Cl)nc(C)n1)c1cccs1 ZINC000052836828 522955947 /nfs/dbraw/zinc/95/59/47/522955947.db2.gz SKQHOXFOLWAJSF-SECBINFHSA-N 0 0 267.785 4.063 10 0 CIAERN CC[C@@H](Nc1ccccc1[C@H](C)O)c1cccs1 ZINC000049542680 522964926 /nfs/dbraw/zinc/96/49/26/522964926.db2.gz XDHHJNNYWXEVSN-WCQYABFASA-N 0 0 261.390 4.365 10 0 CIAERN COCc1ccccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069378356 523127025 /nfs/dbraw/zinc/12/70/25/523127025.db2.gz WFVNWJFZMFNGIF-QWHCGFSZSA-N 0 0 287.325 4.366 10 0 CIAERN CCc1ccc(-c2csc([C@H](N)c3ccccc3)n2)cc1 ZINC000058376877 523858133 /nfs/dbraw/zinc/85/81/33/523858133.db2.gz OZPBHKSFVGXQNX-QGZVFWFLSA-N 0 0 294.423 4.421 10 0 CIAERN CCc1ccc(CC(=O)c2ccc(Cl)cc2F)cc1 ZINC000062785242 523909933 /nfs/dbraw/zinc/90/99/33/523909933.db2.gz AHZBXYQWQNMWRO-UHFFFAOYSA-N 0 0 276.738 4.467 10 0 CIAERN CCc1ccc(COc2c(C)cc(C)cc2N)cc1 ZINC000050441869 523948928 /nfs/dbraw/zinc/94/89/28/523948928.db2.gz YGHGPCOMDNQNSW-UHFFFAOYSA-N 0 0 255.361 4.027 10 0 CIAERN CCc1ccc(C[C@H](O)c2ccc(F)c(Cl)c2)s1 ZINC000062791971 523950897 /nfs/dbraw/zinc/95/08/97/523950897.db2.gz NCSJIJRFDRPVLX-AWEZNQCLSA-N 0 0 284.783 4.379 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)C2CCCC2)o1 ZINC000128450638 524053455 /nfs/dbraw/zinc/05/34/55/524053455.db2.gz QLYNXXDTFZHYPA-OAHLLOKOSA-N 0 0 275.392 4.086 10 0 CIAERN CCc1ccc2c(c1)NC[C@H](c1ccc(Cl)cc1)O2 ZINC000062541898 524059168 /nfs/dbraw/zinc/05/91/68/524059168.db2.gz YRJUFNYDNMBXPD-MRXNPFEDSA-N 0 0 273.763 4.448 10 0 CIAERN Cc1cc(C)c(CC(=O)c2ccccc2F)c(C)c1 ZINC000062773975 524258111 /nfs/dbraw/zinc/25/81/11/524258111.db2.gz USSZRRTZPQHWDN-UHFFFAOYSA-N 0 0 256.320 4.176 10 0 CIAERN Cc1cc(C)c(C[C@H](O)c2ccccc2F)c(C)c1 ZINC000062774152 524275000 /nfs/dbraw/zinc/27/50/00/524275000.db2.gz MYBUFLPPCIYUIN-KRWDZBQOSA-N 0 0 258.336 4.027 10 0 CIAERN Cc1cc(C)cc(C[C@H](O)c2ccc(F)c(Cl)c2)c1 ZINC000062791830 524399540 /nfs/dbraw/zinc/39/95/40/524399540.db2.gz WVDGEHLSOPBKLH-INIZCTEOSA-N 0 0 278.754 4.372 10 0 CIAERN C[C@@H]1CCC[C@H](SCc2cc(F)ccc2N)C1 ZINC000054689689 524413191 /nfs/dbraw/zinc/41/31/91/524413191.db2.gz HDYKJZKZBXLYEB-MFKMUULPSA-N 0 0 253.386 4.220 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@@H](C)c1ccc(Cl)cc1 ZINC000049526024 524609708 /nfs/dbraw/zinc/60/97/08/524609708.db2.gz XAILMCJKUVGOIJ-NSHDSACASA-N 0 0 261.752 4.180 10 0 CIAERN C[C@H](Cc1ccccc1)Nc1nccc2sccc21 ZINC000062188169 524729211 /nfs/dbraw/zinc/72/92/11/524729211.db2.gz XCLQRYDFSXVJND-GFCCVEGCSA-N 0 0 268.385 4.339 10 0 CIAERN Cc1ccc(F)c([C@@H](O)c2csc3ccccc32)c1 ZINC000052998971 524836218 /nfs/dbraw/zinc/83/62/18/524836218.db2.gz WRFQSWHLTHMJPJ-MRXNPFEDSA-N 0 0 272.344 4.431 10 0 CIAERN Cc1cc(F)ccc1NCc1c[nH]c2ccccc12 ZINC000049137913 524997306 /nfs/dbraw/zinc/99/73/06/524997306.db2.gz VSPFNSGAPBJMPC-UHFFFAOYSA-N 0 0 254.308 4.228 10 0 CIAERN Cc1cc(N)c(NC(=O)CCC2CCCCC2)cc1C ZINC000050439038 525033992 /nfs/dbraw/zinc/03/39/92/525033992.db2.gz CQQXFPPULHYJER-UHFFFAOYSA-N 0 0 274.408 4.185 10 0 CIAERN Cc1cc(N)ccc1N[C@H](C)c1ccccc1Cl ZINC000049506552 525039482 /nfs/dbraw/zinc/03/94/82/525039482.db2.gz HPTPBSFJCWUEEB-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccccc1CC(=O)c1ccc(F)c(Cl)c1 ZINC000062791764 525099638 /nfs/dbraw/zinc/09/96/38/525099638.db2.gz BCYAPPUYUDFSNU-UHFFFAOYSA-N 0 0 262.711 4.213 10 0 CIAERN Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)nc(Cl)n1 ZINC000052814655 525292039 /nfs/dbraw/zinc/29/20/39/525292039.db2.gz XFLPYCDXKUODPY-VIFPVBQESA-N 0 0 282.174 4.265 10 0 CIAERN Cc1ccc(Nc2ccc(C(N)=S)cc2Cl)cc1F ZINC000062795162 525323721 /nfs/dbraw/zinc/32/37/21/525323721.db2.gz AVIIJRZFQUSMST-UHFFFAOYSA-N 0 0 294.782 4.165 10 0 CIAERN Cc1cc(Oc2c(C)ccc(C)c2C)nc(Cl)n1 ZINC000052813992 525385344 /nfs/dbraw/zinc/38/53/44/525385344.db2.gz VRTWQXUTFPLTKN-UHFFFAOYSA-N 0 0 262.740 4.156 10 0 CIAERN Cc1ccc(OCc2c(C)cc(C)cc2C)c(N)c1 ZINC000053299848 525443209 /nfs/dbraw/zinc/44/32/09/525443209.db2.gz XIHLUJUHPVWESN-UHFFFAOYSA-N 0 0 255.361 4.081 10 0 CIAERN Cc1cc([C@@H](C)Nc2ccc(F)cc2N)c(C)s1 ZINC000049506122 525476650 /nfs/dbraw/zinc/47/66/50/525476650.db2.gz IIGVAFRMWTZDLJ-SECBINFHSA-N 0 0 264.369 4.259 10 0 CIAERN Cc1cc([C@@H](C)n2c(=S)[nH]nc2C2CC2)c(C)s1 ZINC000049509965 525478789 /nfs/dbraw/zinc/47/87/89/525478789.db2.gz VZFZBWCQAGUCED-MRVPVSSYSA-N 0 0 279.434 4.106 10 0 CIAERN Cc1cc([C@@H](O)c2ccc(C(C)C)cc2)ccc1F ZINC000055201072 525484263 /nfs/dbraw/zinc/48/42/63/525484263.db2.gz BOJLWTIJFKENDD-KRWDZBQOSA-N 0 0 258.336 4.339 10 0 CIAERN Cc1cc([C@H](C)Nc2ncnc3ccccc32)c(C)o1 ZINC000044730884 525533897 /nfs/dbraw/zinc/53/38/97/525533897.db2.gz BRPZMKJCBOPHTN-NSHDSACASA-N 0 0 267.332 4.013 10 0 CIAERN Cc1cc([C@H](C)Nc2cccc(F)c2N)c(C)s1 ZINC000049506235 525534254 /nfs/dbraw/zinc/53/42/54/525534254.db2.gz QVHLYNUOXGRTCY-VIFPVBQESA-N 0 0 264.369 4.259 10 0 CIAERN Cc1cc([C@H](O)C(C)(C)c2ccccc2)ccc1F ZINC000062772930 525537260 /nfs/dbraw/zinc/53/72/60/525537260.db2.gz NIQZYTLARXXVPD-INIZCTEOSA-N 0 0 258.336 4.145 10 0 CIAERN Cc1cccnc1N[C@@H](C)c1ccc(Cl)s1 ZINC000051041083 525544023 /nfs/dbraw/zinc/54/40/23/525544023.db2.gz OSSNVWAMEXCAAG-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN Cc1cc2c(n1Cc1ccsc1)CC(C)(C)CC2=O ZINC000063146691 525622268 /nfs/dbraw/zinc/62/22/68/525622268.db2.gz KRVJCOYTGDZLHN-UHFFFAOYSA-N 0 0 273.401 4.061 10 0 CIAERN C[C@H](Nc1ccc(Cl)cc1C(N)=S)c1cccs1 ZINC000052858280 525650802 /nfs/dbraw/zinc/65/08/02/525650802.db2.gz PVONVFWHRQGWQX-QMMMGPOBSA-N 0 0 296.848 4.209 10 0 CIAERN C[C@H](Nc1cccc(C(F)(F)F)n1)c1cccs1 ZINC000044271396 525666602 /nfs/dbraw/zinc/66/66/02/525666602.db2.gz KJZRPYSIXNZQOC-QMMMGPOBSA-N 0 0 272.295 4.335 10 0 CIAERN C[C@H](Nc1cccc(F)n1)c1cccc(Cl)c1 ZINC000042415703 525668518 /nfs/dbraw/zinc/66/85/18/525668518.db2.gz SBNGHKJHHCXVCB-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN C[C@H](Nc1cccc(F)n1)c1cccc(Br)c1 ZINC000042417108 525668554 /nfs/dbraw/zinc/66/85/54/525668554.db2.gz HKCCTJFNPMWYOZ-VIFPVBQESA-N 0 0 295.155 4.156 10 0 CIAERN Cc1ccc(-c2c(N)n[nH]c2C2CCCCC2)cc1 ZINC000055332607 525710519 /nfs/dbraw/zinc/71/05/19/525710519.db2.gz SVFMUVUGOQSMJX-UHFFFAOYSA-N 0 0 255.365 4.015 10 0 CIAERN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)cn2)o1 ZINC000274884396 525747719 /nfs/dbraw/zinc/74/77/19/525747719.db2.gz ICYVWXIBZKJGON-GHMZBOCLSA-N 0 0 264.756 4.048 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccccc2[C@@H](C)O)s1 ZINC000049542555 525751697 /nfs/dbraw/zinc/75/16/97/525751697.db2.gz SBKCIVUCIRXDDE-VXGBXAGGSA-N 0 0 261.390 4.283 10 0 CIAERN Cc1c(F)cccc1Cc1sc(N)nc1C(C)(C)C ZINC000050266755 525803093 /nfs/dbraw/zinc/80/30/93/525803093.db2.gz OZSZLIMGADXWDN-UHFFFAOYSA-N 0 0 278.396 4.061 10 0 CIAERN C[C@H](O)c1ccc(Oc2ccccc2)c(Br)c1 ZINC000061697601 525858831 /nfs/dbraw/zinc/85/88/31/525858831.db2.gz APMYBIDMEPYVIU-JTQLQIEISA-N 0 0 293.160 4.295 10 0 CIAERN Cc1ccsc1CNc1cc(F)cc(F)c1F ZINC000061098919 525861823 /nfs/dbraw/zinc/86/18/23/525861823.db2.gz FLGRAAPNFOAVHL-UHFFFAOYSA-N 0 0 257.280 4.086 10 0 CIAERN C[C@H](O)c1cnc(-c2ccc3ccccc3c2)s1 ZINC000054441367 525864271 /nfs/dbraw/zinc/86/42/71/525864271.db2.gz HARPWNBXVSROTN-JTQLQIEISA-N 0 0 255.342 4.017 10 0 CIAERN C[C@@H](O)c1ccccc1NCc1ccc(Cl)s1 ZINC000049542637 525874839 /nfs/dbraw/zinc/87/48/39/525874839.db2.gz ISFAUBXGNHTYKW-SECBINFHSA-N 0 0 267.781 4.067 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)CCCSC(C)(C)C)o1 ZINC000130604759 525888223 /nfs/dbraw/zinc/88/82/23/525888223.db2.gz SEUTVJDWWOWWKU-LBPRGKRZSA-N 0 0 283.437 4.077 10 0 CIAERN Cc1ccc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826582 525935403 /nfs/dbraw/zinc/93/54/03/525935403.db2.gz CPVWDYAYRMKAHY-QWRGUYRKSA-N 0 0 265.303 4.278 10 0 CIAERN Cc1ccc([C@H](C)n2c(=S)[nH]nc2C(C)C)s1 ZINC000049184576 525952136 /nfs/dbraw/zinc/95/21/36/525952136.db2.gz SWAORPDJLCBFFJ-VIFPVBQESA-N 0 0 267.423 4.043 10 0 CIAERN Cc1ccc2[nH]c(Sc3ccc(N)cc3Cl)nc2c1 ZINC000061439763 526102421 /nfs/dbraw/zinc/10/24/21/526102421.db2.gz JBQAPLISVPCIMO-UHFFFAOYSA-N 0 0 289.791 4.258 10 0 CIAERN O[C@H](Cc1ccc(Br)cc1)C1=CCCCCC1 ZINC000050329383 526294315 /nfs/dbraw/zinc/29/43/15/526294315.db2.gz TUEOQBSLKDZASX-OAHLLOKOSA-N 0 0 295.220 4.243 10 0 CIAERN O[C@H](Cc1c(F)cccc1Cl)C1=CCCCCC1 ZINC000050329451 526294860 /nfs/dbraw/zinc/29/48/60/526294860.db2.gz BSUGWOSDHYMPHW-OAHLLOKOSA-N 0 0 268.759 4.273 10 0 CIAERN Fc1cc(F)c2nccc(Nc3ccccc3F)c2c1 ZINC000054202464 526305257 /nfs/dbraw/zinc/30/52/57/526305257.db2.gz WDVRCLUFIJUIQM-UHFFFAOYSA-N 0 0 274.245 4.396 10 0 CIAERN Fc1ccc(CN[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000049855778 526340895 /nfs/dbraw/zinc/34/08/95/526340895.db2.gz IPEPMHBLWBSRBQ-OAHLLOKOSA-N 0 0 291.753 4.093 10 0 CIAERN Fc1ccc(COC2CCCCC2)c(Br)c1 ZINC000049600848 526342631 /nfs/dbraw/zinc/34/26/31/526342631.db2.gz YMUGQFUYFZWPSS-UHFFFAOYSA-N 0 0 287.172 4.438 10 0 CIAERN Cc1csc(CNc2nc3cc(Cl)ccc3s2)n1 ZINC000049534237 526363738 /nfs/dbraw/zinc/36/37/38/526363738.db2.gz JUFKBUMDUDJWJV-UHFFFAOYSA-N 0 0 295.820 4.327 10 0 CIAERN Fc1ccc2[nH]c(=S)n(Cc3ccccc3F)c2c1F ZINC000053168672 526367837 /nfs/dbraw/zinc/36/78/37/526367837.db2.gz AIUTUHPBISUVTO-UHFFFAOYSA-N 0 0 294.301 4.164 10 0 CIAERN Fc1ccc2sc(NCCc3ccsc3)nc2c1 ZINC000049185135 526380094 /nfs/dbraw/zinc/38/00/94/526380094.db2.gz ZRUCMTQEJNGPAF-UHFFFAOYSA-N 0 0 278.377 4.152 10 0 CIAERN Cc1nc(CNc2cc(Cl)c(Cl)cc2Cl)c[nH]1 ZINC000054797867 526896977 /nfs/dbraw/zinc/89/69/77/526896977.db2.gz VISMAWNSUJWLAI-UHFFFAOYSA-N 0 0 290.581 4.290 10 0 CIAERN Cc1nc(Cn2c(=S)[nH]c3cc(Cl)ccc32)cs1 ZINC000049534144 526942500 /nfs/dbraw/zinc/94/25/00/526942500.db2.gz FOYUTXLKCWCCQE-UHFFFAOYSA-N 0 0 295.820 4.166 10 0 CIAERN O=C1CCCCC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703791 526970756 /nfs/dbraw/zinc/97/07/56/526970756.db2.gz JBGSBTFATPYKQT-LBPRGKRZSA-N 0 0 272.266 4.202 10 0 CIAERN Cc1nc([C@H](C)N[C@@H](C)c2ccccc2C)cs1 ZINC000036915278 527065447 /nfs/dbraw/zinc/06/54/47/527065447.db2.gz IGMIELBIZCNEJV-RYUDHWBXSA-N 0 0 260.406 4.172 10 0 CIAERN Cc1nc2c(o1)c(Br)c(Cl)cc2Cl ZINC000062557573 527102185 /nfs/dbraw/zinc/10/21/85/527102185.db2.gz XRINFPOTTKVHAJ-UHFFFAOYSA-N 0 0 280.936 4.206 10 0 CIAERN Nc1ccc(Cl)cc1Oc1ccnc2ccccc21 ZINC000051609556 527487089 /nfs/dbraw/zinc/48/70/89/527487089.db2.gz QFZWQXIESIIFIN-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Nc1ccc(Cl)cc1OCc1ccc(Cl)s1 ZINC000051609116 527487194 /nfs/dbraw/zinc/48/71/94/527487194.db2.gz GYQQZETVLXGSKM-UHFFFAOYSA-N 0 0 274.172 4.216 10 0 CIAERN Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1Cl ZINC000050471539 527496995 /nfs/dbraw/zinc/49/69/95/527496995.db2.gz FRSCEVWUAWZBKN-UHFFFAOYSA-N 0 0 289.549 4.416 10 0 CIAERN Nc1ccc(OCc2ccc(Cl)s2)cc1Cl ZINC000050470868 527497750 /nfs/dbraw/zinc/49/77/50/527497750.db2.gz LVEXUEWZLRZSGT-UHFFFAOYSA-N 0 0 274.172 4.216 10 0 CIAERN CC(C)C1(C(=O)NC2CCCC2)CCCCCC1 ZINC000005359576 527591855 /nfs/dbraw/zinc/59/18/55/527591855.db2.gz NUTMIYRXXQBCST-UHFFFAOYSA-N 0 0 251.414 4.042 10 0 CIAERN OC[C@H](Nc1ccccc1)c1csc2ccccc21 ZINC000054465798 527610504 /nfs/dbraw/zinc/61/05/04/527610504.db2.gz JEJFVJPHONIXFL-HNNXBMFYSA-N 0 0 269.369 4.047 10 0 CIAERN OCc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1 ZINC000062722653 527630032 /nfs/dbraw/zinc/63/00/32/527630032.db2.gz MIGXHLXPPLEEEQ-UHFFFAOYSA-N 0 0 288.652 4.042 10 0 CIAERN O[C@@H](Cc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000052945447 527664014 /nfs/dbraw/zinc/66/40/14/527664014.db2.gz FVDXPMQDNCPTMA-JTQLQIEISA-N 0 0 273.184 4.331 10 0 CIAERN O[C@@H](Cc1cccs1)c1csc2ccccc12 ZINC000062139410 527665255 /nfs/dbraw/zinc/66/52/55/527665255.db2.gz XZUCXVVFPGXULZ-ZDUSSCGKSA-N 0 0 260.383 4.239 10 0 CIAERN O[C@@H](c1ccccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000063157324 527666781 /nfs/dbraw/zinc/66/67/81/527666781.db2.gz CCUKKQPDRBXTFR-RHSMWYFYSA-N 0 0 272.775 4.494 10 0 CIAERN FC(F)(F)c1cccc(-c2csc(Cl)n2)c1 ZINC000061714236 527684261 /nfs/dbraw/zinc/68/42/61/527684261.db2.gz SWSCHUGPASKOKG-UHFFFAOYSA-N 0 0 263.671 4.482 10 0 CIAERN CC(C)c1nnc(N[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000301722012 528459714 /nfs/dbraw/zinc/45/97/14/528459714.db2.gz KBGQKULVXMLXEF-QMMMGPOBSA-N 0 0 283.347 4.113 10 0 CIAERN C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]43C)[C@H]1CCC2=O ZINC000003844008 581091224 /nfs/dbraw/zinc/09/12/24/581091224.db2.gz RAJWOBJTTGJROA-XDBCBVBWSA-N 0 0 288.431 4.167 10 0 CIAERN CC[C@@H](C)Cc1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243073 570255000 /nfs/dbraw/zinc/25/50/00/570255000.db2.gz IQFIKHMZLCNNPT-SNVBAGLBSA-N 0 0 279.815 4.269 10 0 CIAERN C[C@@H]1CC[C@](O)(c2cccc(Br)c2)C[C@H]1C ZINC000675059689 570365670 /nfs/dbraw/zinc/36/56/70/570365670.db2.gz UISWGWNSMWTPBY-JTNHKYCSSA-N 0 0 283.209 4.093 10 0 CIAERN CC(C)=CCc1c(O)cc(/C=C\c2ccc(O)cc2)cc1O ZINC000014819713 560098805 /nfs/dbraw/zinc/09/88/05/560098805.db2.gz WWFOQQIWOKJBSJ-PLNGDYQASA-N 0 0 296.366 4.483 10 0 endogenous,in-man CIAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCCO2 ZINC000004726673 560199838 /nfs/dbraw/zinc/19/98/38/560199838.db2.gz VNPJDUYJTSUJJA-JUKXBMAYSA-N 0 0 292.463 4.159 10 0 in-vitro CIAERN Cc1cc(C(F)F)nc2cc(Br)c(F)cc12 ZINC000669372221 566949357 /nfs/dbraw/zinc/94/93/57/566949357.db2.gz IMBAVNWXOMZALV-UHFFFAOYSA-N 0 0 290.082 4.382 10 0 CIAERN CC(C)CCC[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000044367237 566977297 /nfs/dbraw/zinc/97/72/97/566977297.db2.gz VEKTZAJCKACLFH-CQSZACIVSA-N 0 0 287.403 4.135 10 0 CIAERN Clc1cccc(-c2nc3cnccc3o2)c1Cl ZINC000226281462 566983791 /nfs/dbraw/zinc/98/37/91/566983791.db2.gz QQXBZUWPDDTZOM-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN Nc1c(F)ccc(-c2ccc(C(F)F)c(F)c2)c1F ZINC000675056993 567021942 /nfs/dbraw/zinc/02/19/42/567021942.db2.gz UBGWSZWTTTZUBS-UHFFFAOYSA-N 0 0 273.204 4.291 10 0 CIAERN Nc1ccc(-c2cc(Cl)ccc2Cl)c(F)c1 ZINC000083826721 567027933 /nfs/dbraw/zinc/02/79/33/567027933.db2.gz JZRSNBVZOSLQNB-UHFFFAOYSA-N 0 0 256.107 4.382 10 0 CIAERN CC(C)CC(=O)c1cc2c(cccc2Br)o1 ZINC000675081191 567028115 /nfs/dbraw/zinc/02/81/15/567028115.db2.gz LCJOFPFHQHIAJF-UHFFFAOYSA-N 0 0 281.149 4.424 10 0 CIAERN O=C(c1ccccc1)[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000016887696 567028123 /nfs/dbraw/zinc/02/81/23/567028123.db2.gz NYNQPHLKQQWYQE-IBGZPJMESA-N 0 0 288.346 4.407 10 0 in-vitro CIAERN CCCC(=O)c1cc2cccc(Br)c2o1 ZINC000083815233 567028516 /nfs/dbraw/zinc/02/85/16/567028516.db2.gz FQMKJTDAYLNKRU-UHFFFAOYSA-N 0 0 267.122 4.178 10 0 CIAERN Brc1ccc2ncn(C3CCCCC3)c2c1 ZINC000220908102 567032842 /nfs/dbraw/zinc/03/28/42/567032842.db2.gz UYOIJAAZKNPDPB-UHFFFAOYSA-N 0 0 279.181 4.304 10 0 CIAERN Cc1cc(-n2cccc2)cc2nc(C(C)(C)C)oc21 ZINC000226247898 567038182 /nfs/dbraw/zinc/03/81/82/567038182.db2.gz LTYOCPXIJRQYPB-UHFFFAOYSA-N 0 0 254.333 4.224 10 0 CIAERN CNc1ccc2nc(Cc3ccc(Cl)cc3)oc2c1 ZINC000226271132 567038420 /nfs/dbraw/zinc/03/84/20/567038420.db2.gz WUSQWGBRWDNVTN-UHFFFAOYSA-N 0 0 272.735 4.114 10 0 CIAERN CCNc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000226283095 567040844 /nfs/dbraw/zinc/04/08/44/567040844.db2.gz NXRQGXPVCJGGIQ-UHFFFAOYSA-N 0 0 256.280 4.066 10 0 CIAERN CC(=O)C[C@H](C)Sc1ccc(Cl)cc1Cl ZINC000322535850 567207081 /nfs/dbraw/zinc/20/70/81/567207081.db2.gz BHPGDYWKUOCBGP-QMMMGPOBSA-N 0 0 263.189 4.453 10 0 CIAERN Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000019503339 567210941 /nfs/dbraw/zinc/21/09/41/567210941.db2.gz ALGMQZSSEKNTFV-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CCCCSc1ccc(-c2csc(N)n2)cc1F ZINC000058823267 567217432 /nfs/dbraw/zinc/21/74/32/567217432.db2.gz IWYQHIQFAJZPGY-UHFFFAOYSA-N 0 0 282.409 4.424 10 0 CIAERN Fc1cc(-c2cc[nH]n2)ccc1Sc1ccccc1 ZINC000058824499 567217649 /nfs/dbraw/zinc/21/76/49/567217649.db2.gz QCEXQXYDBISSHZ-UHFFFAOYSA-N 0 0 270.332 4.367 10 0 CIAERN COc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000062536657 567219972 /nfs/dbraw/zinc/21/99/72/567219972.db2.gz RFEJPQSLAZAAED-UHFFFAOYSA-N 0 0 253.301 4.120 10 0 CIAERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC000013464179 567866222 /nfs/dbraw/zinc/86/62/22/567866222.db2.gz PPOIDZGFAOGDMF-RVSPLBMKSA-N 0 0 291.822 4.285 10 0 CIAERN CC(C)c1ccc(NC(=S)N[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000013703804 567867143 /nfs/dbraw/zinc/86/71/43/567867143.db2.gz OBGJFCLOSKJLBE-INWMFGNUSA-N 0 0 286.444 4.061 10 0 CIAERN FC(F)(F)c1cc2ccc(Br)cc2cn1 ZINC000238587030 567876038 /nfs/dbraw/zinc/87/60/38/567876038.db2.gz DVHHFLOXWRPNEQ-UHFFFAOYSA-N 0 0 276.055 4.016 10 0 CIAERN Cc1cc2sc(-c3cc(N)c(C)c(N)c3)nc2c(C)c1 ZINC000073635477 567893145 /nfs/dbraw/zinc/89/31/45/567893145.db2.gz MDKXRVRXHHZYAT-UHFFFAOYSA-N 0 0 283.400 4.053 10 0 CIAERN COc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000073639742 567893253 /nfs/dbraw/zinc/89/32/53/567893253.db2.gz PWQAIBVORWHIQR-UHFFFAOYSA-N 0 0 253.301 4.120 10 0 CIAERN Cc1cc2[nH]c(Cc3ccccc3)nc2cc1Cl ZINC000073638850 567893491 /nfs/dbraw/zinc/89/34/91/567893491.db2.gz WJOBBDBFGBPJBY-UHFFFAOYSA-N 0 0 256.736 4.116 10 0 CIAERN Clc1cc2nc(-c3cccnc3)oc2c(Cl)c1 ZINC000073638640 567893669 /nfs/dbraw/zinc/89/36/69/567893669.db2.gz XUGVZHXETGUPJA-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN FC(F)(F)c1ccccc1-c1csc(Cl)n1 ZINC000061714195 567897058 /nfs/dbraw/zinc/89/70/58/567897058.db2.gz UVWXGPLFWPZGQN-UHFFFAOYSA-N 0 0 263.671 4.482 10 0 CIAERN CNc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001659650 567907437 /nfs/dbraw/zinc/90/74/37/567907437.db2.gz JHMQIGQKTNHUBJ-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN CCC(C)(C)c1nc2cc(C(F)F)cc(Cl)n2n1 ZINC000725246305 567908303 /nfs/dbraw/zinc/90/83/03/567908303.db2.gz URYXEJIIRLBWCM-UHFFFAOYSA-N 0 0 273.714 4.008 10 0 CIAERN CC(C)c1cc2nc(CC(C)(C)C)nn2c(Cl)c1 ZINC000725246696 567908508 /nfs/dbraw/zinc/90/85/08/567908508.db2.gz SYKCDJRNJWPOOY-UHFFFAOYSA-N 0 0 265.788 4.095 10 0 CIAERN Clc1nsc2c1cc(Cl)cc2Br ZINC000725254181 567912873 /nfs/dbraw/zinc/91/28/73/567912873.db2.gz QZFILEDZSKOTSB-UHFFFAOYSA-N 0 0 282.977 4.366 10 0 CIAERN Brc1nc(CCCc2ccccc2)cs1 ZINC000725256143 567915335 /nfs/dbraw/zinc/91/53/35/567915335.db2.gz VCDWHGXRKINZFE-UHFFFAOYSA-N 0 0 282.206 4.081 10 0 CIAERN Cc1nn(C(C)C)cc1NCc1ccc(Cl)cc1 ZINC000725242438 570254833 /nfs/dbraw/zinc/25/48/33/570254833.db2.gz FEDRYYDLXYIHIK-UHFFFAOYSA-N 0 0 263.772 4.038 10 0 CIAERN CC[C@H](C)Cc1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243072 570255081 /nfs/dbraw/zinc/25/50/81/570255081.db2.gz IQFIKHMZLCNNPT-JTQLQIEISA-N 0 0 279.815 4.269 10 0 CIAERN CCc1nc2cc(F)c(Br)cc2c(C)c1C ZINC000669372747 570350960 /nfs/dbraw/zinc/35/09/60/570350960.db2.gz YXJZZURZBDMODK-UHFFFAOYSA-N 0 0 282.156 4.316 10 0 CIAERN Nc1c(F)ccc(-c2ccc(F)c(C(F)(F)F)c2)c1F ZINC000675058960 570365349 /nfs/dbraw/zinc/36/53/49/570365349.db2.gz DRZPZKRLHPSTNN-UHFFFAOYSA-N 0 0 291.194 4.372 10 0 CIAERN CCc1cc(Br)cc2c(Cl)ccnc12 ZINC000088125680 570369983 /nfs/dbraw/zinc/36/99/83/570369983.db2.gz FYMUODOVILGPBS-UHFFFAOYSA-N 0 0 270.557 4.213 10 0 CIAERN CCCCCCCCCC[N+](C)(C)CCCC(=O)[O-] ZINC000205652549 717160158 /nfs/dbraw/zinc/16/01/58/717160158.db2.gz MWSMCODOBWFKNT-UHFFFAOYSA-O 0 0 272.453 4.068 10 0 CIAERN CCCCCCCC[N+](C)(C)Cc1ccc(C(=O)[O-])cc1 ZINC000205185272 717159935 /nfs/dbraw/zinc/15/99/35/717159935.db2.gz CMVYHKZNSUFPKL-UHFFFAOYSA-O 0 0 292.443 4.322 10 0 CIAERN Clc1nc(Cl)c2c(n1)CC[C@H](Cc1ccccc1)C2 ZINC000095616830 185016399 /nfs/dbraw/zinc/01/63/99/185016399.db2.gz TUSQHICYKSEACP-LLVKDONJSA-N 0 0 293.197 4.131 10 0 CIAERN CSc1cc(=O)c2cccc(-c3ccccc3)c2o1 ZINC000095630402 185016862 /nfs/dbraw/zinc/01/68/62/185016862.db2.gz AJURXMMJAQXZBN-UHFFFAOYSA-N 0 0 268.337 4.182 10 0 CIAERN CC(C)(C)c1ccc(OC2CC2)cc1Br ZINC000095712695 185018825 /nfs/dbraw/zinc/01/88/25/185018825.db2.gz SVEZCCSJRKLTHL-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN Oc1ccc(CC2CCCCC2)cc1Br ZINC000095725037 185020775 /nfs/dbraw/zinc/02/07/75/185020775.db2.gz QJTHHTYWERQLBH-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN FC(F)(F)c1ccc2cc(Br)ncc2c1 ZINC000095762318 185026341 /nfs/dbraw/zinc/02/63/41/185026341.db2.gz BFPYQNKBJLWNFV-UHFFFAOYSA-N 0 0 276.055 4.016 10 0 CIAERN CC(C)c1nc(Cl)cc(N[C@@H]2CCCC[C@H]2C)n1 ZINC000082509570 178075934 /nfs/dbraw/zinc/07/59/34/178075934.db2.gz ALZFDRICAMMBEN-GHMZBOCLSA-N 0 0 267.804 4.244 10 0 CIAERN CCCCCCNc1cc(Cl)nc(CCC)n1 ZINC000082509753 178076922 /nfs/dbraw/zinc/07/69/22/178076922.db2.gz YGIZGYRMVHEEJZ-UHFFFAOYSA-N 0 0 255.793 4.075 10 0 CIAERN Brc1ccc2onc(-c3ccccc3)c2c1 ZINC000095803731 185029086 /nfs/dbraw/zinc/02/90/86/185029086.db2.gz ZYDWHXNSRCABGV-UHFFFAOYSA-N 0 0 274.117 4.257 10 0 CIAERN CNc1ccc(-c2nc3ccccc3n2C(C)C)cc1 ZINC000082572785 178111245 /nfs/dbraw/zinc/11/12/45/178111245.db2.gz PZELEGJFWHRDHG-UHFFFAOYSA-N 0 0 265.360 4.326 10 0 CIAERN Cc1ccc(Cl)cc1Nc1ncc(N)cc1Cl ZINC000082574171 178114361 /nfs/dbraw/zinc/11/43/61/178114361.db2.gz CUDXAGOXBUCPIY-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN O=Cc1ccc(-c2cc(Br)cs2)s1 ZINC000082578297 178118608 /nfs/dbraw/zinc/11/86/08/178118608.db2.gz SYCZTMXGJVWMAX-UHFFFAOYSA-N 0 0 273.176 4.052 10 0 CIAERN CC(C)(C)OC(=O)Nc1cc(Cl)nc2ccccc21 ZINC000095929631 185031504 /nfs/dbraw/zinc/03/15/04/185031504.db2.gz RACLDDXPUMZGQO-UHFFFAOYSA-N 0 0 278.739 4.235 10 0 CIAERN FC(F)(F)[C@@H]1CCCN1c1cccc2ccccc21 ZINC000095930861 185032454 /nfs/dbraw/zinc/03/24/54/185032454.db2.gz XQXYPQQCTHOHGW-AWEZNQCLSA-N 0 0 265.278 4.371 10 0 CIAERN FC(F)(F)c1cccc(-c2ncc3ccccc3n2)c1 ZINC000096028913 185067417 /nfs/dbraw/zinc/06/74/17/185067417.db2.gz DNMURFXZXYDRFG-UHFFFAOYSA-N 0 0 274.245 4.316 10 0 CIAERN FC(F)(F)c1ccccc1-c1ncc2ccccc2n1 ZINC000096028912 185067686 /nfs/dbraw/zinc/06/76/86/185067686.db2.gz RZAYLOYBHDLLTF-UHFFFAOYSA-N 0 0 274.245 4.316 10 0 CIAERN CC(=O)c1cccc(-c2ccc3c(c2)CCCC3)c1 ZINC000082709085 178218551 /nfs/dbraw/zinc/21/85/51/178218551.db2.gz VLYSGAUPLHJKDH-UHFFFAOYSA-N 0 0 250.341 4.435 10 0 CIAERN CC(=O)c1ccc(F)c(-c2cnc3ccccc3c2)c1 ZINC000082709036 178218862 /nfs/dbraw/zinc/21/88/62/178218862.db2.gz KDJQKOZEYDZAEH-UHFFFAOYSA-N 0 0 265.287 4.244 10 0 CIAERN O=C(c1cc(Br)ccc1F)C1CCCCC1 ZINC000082726876 178242942 /nfs/dbraw/zinc/24/29/42/178242942.db2.gz WESBKGAJQRACHX-UHFFFAOYSA-N 0 0 285.156 4.351 10 0 CIAERN Cc1cc(C(=O)Cc2ccccc2)ccc1Br ZINC000083179333 178349680 /nfs/dbraw/zinc/34/96/80/178349680.db2.gz AUSOXPCHRVGFCU-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN Cc1ccc2ccccc2c1[C@H](O)c1cccs1 ZINC000083165979 178347908 /nfs/dbraw/zinc/34/79/08/178347908.db2.gz LIZWMRLUPDQPQC-MRXNPFEDSA-N 0 0 254.354 4.291 10 0 CIAERN Cc1cc(Cl)c([C@H](O)c2cccs2)cc1C ZINC000083165621 178347945 /nfs/dbraw/zinc/34/79/45/178347945.db2.gz QVBGESBOTOOKRM-ZDUSSCGKSA-N 0 0 252.766 4.100 10 0 CIAERN Clc1cc(Br)c2ccnc(Cl)c2c1 ZINC000096850561 185117661 /nfs/dbraw/zinc/11/76/61/185117661.db2.gz XEQZGHBPKCJAQO-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN CC(C)c1nc2c(cccc2Br)s1 ZINC000096957538 185140478 /nfs/dbraw/zinc/14/04/78/185140478.db2.gz PTUHVSQCEQVPKI-UHFFFAOYSA-N 0 0 256.168 4.182 10 0 CIAERN Cc1c(Cl)cccc1NCc1ccc(O)c(F)c1 ZINC000083482826 178508312 /nfs/dbraw/zinc/50/83/12/178508312.db2.gz ABCPQCKMUGCHRQ-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN CCc1ccc2[nH]c(=NC(=O)Oc3ccccc3)sc2c1 ZINC000098083000 185684525 /nfs/dbraw/zinc/68/45/25/185684525.db2.gz XAINBQOLFUAUMD-UHFFFAOYSA-N 0 0 298.367 4.470 10 0 CIAERN CC1=NN([C@@H](C)c2ccc(Cl)c(Cl)c2)C(=O)CC1 ZINC000098180065 185698749 /nfs/dbraw/zinc/69/87/49/185698749.db2.gz ZLOQKXWLUCPNOX-VIFPVBQESA-N 0 0 285.174 4.053 10 0 CIAERN C=C1c2ccccc2NC(=S)N1c1ccc(F)cc1 ZINC000103577697 136552652 /nfs/dbraw/zinc/55/26/52/136552652.db2.gz RYJQRZLDEPCJHY-UHFFFAOYSA-N 0 0 270.332 4.234 10 0 CIAERN Cc1ccc2c(c1)nc(-c1ccc(N)s1)n2C(C)C ZINC000102938299 185799969 /nfs/dbraw/zinc/79/99/69/185799969.db2.gz SNXNVEOTUZNVQX-UHFFFAOYSA-N 0 0 271.389 4.236 10 0 CIAERN CCCc1nnc(Cl)n1-c1cc(Cl)cc(Cl)c1 ZINC000103925337 185862115 /nfs/dbraw/zinc/86/21/15/185862115.db2.gz TYSJXMMQULZIGY-UHFFFAOYSA-N 0 0 290.581 4.180 10 0 CIAERN CCc1ccc(CC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000103935183 185864015 /nfs/dbraw/zinc/86/40/15/185864015.db2.gz ORNUTMSXGOJMAL-UHFFFAOYSA-N 0 0 276.738 4.467 10 0 CIAERN Cc1ccc(Nc2nc3ccc(N)cc3s2)cc1C ZINC000103936132 185865149 /nfs/dbraw/zinc/86/51/49/185865149.db2.gz PAYKGLWPKQSFMH-UHFFFAOYSA-N 0 0 269.373 4.239 10 0 CIAERN C[C@H]1[C@H](Nc2nc3ccc(N)cc3s2)CCC[C@@H]1C ZINC000103941703 185865359 /nfs/dbraw/zinc/86/53/59/185865359.db2.gz OTLMEZPPXVHBIX-HOSYDEDBSA-N 0 0 275.421 4.115 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1cccnc1OC(C)C ZINC000103971545 185870828 /nfs/dbraw/zinc/87/08/28/185870828.db2.gz MYCOPOUFUZNUCY-KGLIPLIRSA-N 0 0 264.413 4.496 10 0 CIAERN COc1ccc(Br)cc1N[C@H]1CCCC[C@@H]1C ZINC000103982268 185874041 /nfs/dbraw/zinc/87/40/41/185874041.db2.gz UTNHQFFUQUKOJO-JQWIXIFHSA-N 0 0 298.224 4.448 10 0 CIAERN CCc1cc(OCCNc2ccccc2)ccc1Cl ZINC000104003975 185880148 /nfs/dbraw/zinc/88/01/48/185880148.db2.gz JFJQLOHTJKZCFF-UHFFFAOYSA-N 0 0 275.779 4.393 10 0 CIAERN CCNc1cc(CC)nc(-c2cccc(Cl)c2Cl)n1 ZINC000103990300 185876948 /nfs/dbraw/zinc/87/69/48/185876948.db2.gz WLIZKWWUIWSYSP-UHFFFAOYSA-N 0 0 296.201 4.445 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1cc(OC(C)C)c(F)cc1N ZINC000104134046 185903283 /nfs/dbraw/zinc/90/32/83/185903283.db2.gz GZHOPYWTQBLWHF-WDEREUQCSA-N 0 0 268.376 4.042 10 0 CIAERN CCOc1ccc(-c2nc(Cl)c(C)c(CC)n2)cc1 ZINC000104157447 185913990 /nfs/dbraw/zinc/91/39/90/185913990.db2.gz FEOROSJODHZYIU-UHFFFAOYSA-N 0 0 276.767 4.067 10 0 CIAERN S=c1[nH]c2cccc(Cl)c2n1C[C@@H]1CC=CCC1 ZINC000104160333 185914168 /nfs/dbraw/zinc/91/41/68/185914168.db2.gz JPDGPJLVUVFEKI-SNVBAGLBSA-N 0 0 278.808 4.335 10 0 CIAERN Fc1ccc2[nH]c(=S)n(CC3CCCCC3)c2c1F ZINC000104163902 185915275 /nfs/dbraw/zinc/91/52/75/185915275.db2.gz HVIAJXOYBCKPLB-UHFFFAOYSA-N 0 0 282.359 4.184 10 0 CIAERN O[C@H](Cc1c(F)cccc1Cl)C1CCCCCC1 ZINC000104170245 185916262 /nfs/dbraw/zinc/91/62/62/185916262.db2.gz IIQKANZWJZVJKI-OAHLLOKOSA-N 0 0 270.775 4.353 10 0 CIAERN C[C@@H](Nc1ncccc1C(F)(F)F)C1CCCCC1 ZINC000104181961 185918254 /nfs/dbraw/zinc/91/82/54/185918254.db2.gz ITYFHDCYJWUBOS-SNVBAGLBSA-N 0 0 272.314 4.481 10 0 CIAERN C[C@@H]1CCC[C@@H](Sc2ccc3cc(N)ccc3n2)C1 ZINC000104182644 185918443 /nfs/dbraw/zinc/91/84/43/185918443.db2.gz BZYHCLOHXBXBRL-BXUZGUMPSA-N 0 0 272.417 4.488 10 0 CIAERN C[C@@H](O)c1ccc(N(C)CC2CCCCC2)c(Cl)c1 ZINC000104185740 185919187 /nfs/dbraw/zinc/91/91/87/185919187.db2.gz YVXSMHNXWLWGIX-GFCCVEGCSA-N 0 0 281.827 4.410 10 0 CIAERN CCCc1c(Cl)ncnc1N[C@@H]1CCCC[C@@H]1C ZINC000104212307 185932608 /nfs/dbraw/zinc/93/26/08/185932608.db2.gz OVTACZIJZJSPIA-CMPLNLGQSA-N 0 0 267.804 4.073 10 0 CIAERN O[C@H](Cc1csc2ccccc12)C1CCCCC1 ZINC000104212778 185932839 /nfs/dbraw/zinc/93/28/39/185932839.db2.gz CIQQFTWNDRUBEB-OAHLLOKOSA-N 0 0 260.402 4.385 10 0 CIAERN Cc1c(N)c2ccc(Cl)c(C)c2nc1C(F)(F)F ZINC000104220259 185934703 /nfs/dbraw/zinc/93/47/03/185934703.db2.gz LSAGLGXMYLOXSA-UHFFFAOYSA-N 0 0 274.673 4.106 10 0 CIAERN CCOc1cc(Nc2cc(C)cc(C)c2)ccc1N ZINC000104234028 185938789 /nfs/dbraw/zinc/93/87/89/185938789.db2.gz REWVXNXOVZRJNN-UHFFFAOYSA-N 0 0 256.349 4.028 10 0 CIAERN CC(C)c1c(Cl)ncnc1Oc1ccccc1F ZINC000104221261 185935431 /nfs/dbraw/zinc/93/54/31/185935431.db2.gz PDFFENMAUQPKEJ-UHFFFAOYSA-N 0 0 266.703 4.185 10 0 CIAERN CC(C)c1c(Cl)ncnc1N(C)C1CCCCCC1 ZINC000104224810 185936220 /nfs/dbraw/zinc/93/62/20/185936220.db2.gz DHWWHLWZWXFMCR-UHFFFAOYSA-N 0 0 281.831 4.412 10 0 CIAERN C[C@@H](O)c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000104285248 185954800 /nfs/dbraw/zinc/95/48/00/185954800.db2.gz MEYHZANNOFVYES-SECBINFHSA-N 0 0 266.312 4.169 10 0 CIAERN O=Cc1ccc(Sc2ccc(Cl)cc2)c(F)c1 ZINC000104285601 185955533 /nfs/dbraw/zinc/95/55/33/185955533.db2.gz RJBABXIROCZFRP-UHFFFAOYSA-N 0 0 266.724 4.443 10 0 CIAERN FC(F)(F)c1cccc([C@@H]2CNc3ccccc3O2)c1 ZINC000129080182 187410164 /nfs/dbraw/zinc/41/01/64/187410164.db2.gz BYRAZLKGXXGISI-AWEZNQCLSA-N 0 0 279.261 4.251 10 0 CIAERN Nc1cccc(Cl)c1CSc1cc(F)ccc1F ZINC000104310581 185962962 /nfs/dbraw/zinc/96/29/62/185962962.db2.gz STHLMCNPSMHYQU-UHFFFAOYSA-N 0 0 285.746 4.493 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)Cc1ccc(Cl)cc1 ZINC000104390429 185989569 /nfs/dbraw/zinc/98/95/69/185989569.db2.gz GHJJULFVFPHGHE-VNQPRFMTSA-N 0 0 266.812 4.460 10 0 CIAERN CCCCN1C(=O)CS[C@H]1c1cccc2ccccc21 ZINC000090442251 179986428 /nfs/dbraw/zinc/98/64/28/179986428.db2.gz JQCZXJKVDKHAGY-KRWDZBQOSA-N 0 0 285.412 4.214 10 0 CIAERN Oc1cc(O)cc(/C=C\c2ccc(Br)cc2)c1 ZINC000090549358 180001830 /nfs/dbraw/zinc/00/18/30/180001830.db2.gz NCJVLKFAQIWASE-UPHRSURJSA-N 0 0 291.144 4.031 10 0 CIAERN CC1(CNc2nc3cc(F)ccc3s2)CCCC1 ZINC000104435035 186001526 /nfs/dbraw/zinc/00/15/26/186001526.db2.gz SFUHSHOWBSGEPG-UHFFFAOYSA-N 0 0 264.369 4.428 10 0 CIAERN Nc1c(N)c(-c2cccs2)sc1-c1cccs1 ZINC000090590629 180010482 /nfs/dbraw/zinc/01/04/82/180010482.db2.gz MLNOZBTUFJDRCO-UHFFFAOYSA-N 0 0 278.427 4.370 10 0 CIAERN CCC(CC)[C@@H](C)NC(=O)c1cc(Cl)ccc1F ZINC000104439588 186002451 /nfs/dbraw/zinc/00/24/51/186002451.db2.gz HCBRBWRNOFXLCH-SECBINFHSA-N 0 0 271.763 4.034 10 0 CIAERN O=Cc1ccc(CSc2nc3ccccc3s2)cc1 ZINC000090669180 180020096 /nfs/dbraw/zinc/02/00/96/180020096.db2.gz KDQWKDNFKVDSPD-UHFFFAOYSA-N 0 0 285.393 4.401 10 0 CIAERN Cc1cccc2cn([C@@H](C)c3ccccc3)c(=S)n21 ZINC000090733629 180033807 /nfs/dbraw/zinc/03/38/07/180033807.db2.gz CCUIAXNRPQQZBP-ZDUSSCGKSA-N 0 0 268.385 4.388 10 0 CIAERN c1ccc(COc2cccc(O[C@H]3CCCCO3)c2)cc1 ZINC000090754987 180036264 /nfs/dbraw/zinc/03/62/64/180036264.db2.gz VFCUCMIEOILYHC-SFHVURJKSA-N 0 0 284.355 4.171 10 0 CIAERN CC(C)[C@H]1O[C@@H](C(C)C)C=C1COCc1ccccc1 ZINC000090766649 180037480 /nfs/dbraw/zinc/03/74/80/180037480.db2.gz YKWOPOIFXAYLLO-QZTJIDSGSA-N 0 0 274.404 4.209 10 0 CIAERN Fc1ccccc1CSc1cc(Cl)ccn1 ZINC000091362040 180141735 /nfs/dbraw/zinc/14/17/35/180141735.db2.gz SFGWFABWUYQWQA-UHFFFAOYSA-N 0 0 253.729 4.166 10 0 CIAERN Cc1cc(-c2cccc(Br)c2)c(N)s1 ZINC000105554892 186063207 /nfs/dbraw/zinc/06/32/07/186063207.db2.gz COFOBYFFPSWKQF-UHFFFAOYSA-N 0 0 268.179 4.068 10 0 CIAERN Cc1sc(N)cc1-c1ccc(Br)s1 ZINC000105661895 186068349 /nfs/dbraw/zinc/06/83/49/186068349.db2.gz HNJPRJSTZCLBBB-UHFFFAOYSA-N 0 0 274.208 4.130 10 0 CIAERN CCNc1nc(C2CCC(C)CC2)nc(C)c1CC ZINC000110104265 186285550 /nfs/dbraw/zinc/28/55/50/186285550.db2.gz UBIAEVJGXFSWEC-UHFFFAOYSA-N 0 0 261.413 4.073 10 0 CIAERN CCNc1cc(C2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000110461610 186297592 /nfs/dbraw/zinc/29/75/92/186297592.db2.gz VLAGLDVWASMSJL-UHFFFAOYSA-N 0 0 273.767 4.106 10 0 CIAERN CCCc1cc(NCC)nc(C2CCC(C)CC2)n1 ZINC000110448713 186297629 /nfs/dbraw/zinc/29/76/29/186297629.db2.gz UTRKCTZFZMTJJF-UHFFFAOYSA-N 0 0 261.413 4.155 10 0 CIAERN Cc1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1 ZINC000111294869 186392477 /nfs/dbraw/zinc/39/24/77/186392477.db2.gz DEUPSTNYPUHION-UHFFFAOYSA-N 0 0 287.672 4.201 10 0 CIAERN Cc1cc(-c2nc3ccc(N)cc3o2)ccc1Cl ZINC000138240113 187902822 /nfs/dbraw/zinc/90/28/22/187902822.db2.gz BIIWARTYNDCQSS-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN NC1=C(c2ccccc2)C(=S)S[C@H]1Cc1ccccc1 ZINC000136861558 187889357 /nfs/dbraw/zinc/88/93/57/187889357.db2.gz WSYMUQQTCGSQFD-LSDHHAIUSA-N 0 0 297.448 4.475 10 0 CIAERN Cc1ccccc1[C@@H](O)c1ccc2c3c(cccc31)CC2 ZINC000158857750 188397031 /nfs/dbraw/zinc/39/70/31/188397031.db2.gz DCBGGHYULIKGBR-HXUWFJFHSA-N 0 0 274.363 4.329 10 0 CIAERN Cc1ccc([C@@H](O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000158887170 188398646 /nfs/dbraw/zinc/39/86/46/188398646.db2.gz VWSJUYXLPCVXJZ-HXUWFJFHSA-N 0 0 274.363 4.329 10 0 CIAERN COc1ccc([C@H](O)c2c(C)ccc3ccccc32)cc1 ZINC000160998325 188502876 /nfs/dbraw/zinc/50/28/76/188502876.db2.gz KMUXKTLXWAWDEM-IBGZPJMESA-N 0 0 278.351 4.239 10 0 CIAERN Cc1ccc(C(=O)[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000169333186 188659146 /nfs/dbraw/zinc/65/91/46/188659146.db2.gz OHIYQWUWVKENMH-LJQANCHMSA-N 0 0 287.362 4.405 10 0 CIAERN CC1(C)C=C[C@@](c2ccncc2)(c2ccc(Cl)cc2)O1 ZINC000169344282 188659788 /nfs/dbraw/zinc/65/97/88/188659788.db2.gz LRUHCOITJWNQBS-KRWDZBQOSA-N 0 0 285.774 4.344 10 0 CIAERN CC(=O)c1cn([Si](C)(C)C(C)(C)C)c2ncccc12 ZINC000198020221 189682785 /nfs/dbraw/zinc/68/27/85/189682785.db2.gz IRWTVRPZALGNOD-UHFFFAOYSA-N 0 0 274.440 4.092 10 0 CIAERN Cn1c2ccccc2nc(/C=C/c2ccccc2)c1=S ZINC000196457121 189682940 /nfs/dbraw/zinc/68/29/40/189682940.db2.gz MUTQKBRFQOHRLN-VAWYXSNFSA-N 0 0 278.380 4.473 10 0 CIAERN COC(=O)/C=C/c1ccc(-c2cccc(Cl)c2C)o1 ZINC000226256696 189770365 /nfs/dbraw/zinc/77/03/65/189770365.db2.gz XCLZDUAUQIPADT-VQHVLOKHSA-N 0 0 276.719 4.095 10 0 CIAERN Cc1nc(Cl)c2cc(Br)c(Cl)cc2n1 ZINC000261506896 190039578 /nfs/dbraw/zinc/03/95/78/190039578.db2.gz CEINKUJXYHVAIV-UHFFFAOYSA-N 0 0 291.963 4.008 10 0 CIAERN CC(=O)Oc1cccc2sc(-c3ccc(C)cc3)nc21 ZINC000000004099 169504668 /nfs/dbraw/zinc/50/46/68/169504668.db2.gz RBCGOSAFAPGFGD-UHFFFAOYSA-N 0 0 283.352 4.197 10 0 investigational CIAERN CC(C)c1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000000504918 169658058 /nfs/dbraw/zinc/65/80/58/169658058.db2.gz JJNTURSDJMCOMD-UHFFFAOYSA-N 0 0 258.292 4.168 10 0 CIAERN Cc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N ZINC000226293399 256785234 /nfs/dbraw/zinc/78/52/34/256785234.db2.gz LXMFHJSDSTZMQH-FQEVSTJZSA-N 0 0 289.378 4.326 10 0 CIAERN COc1cc(C)c2c(c1)C=C[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000004370021 256872522 /nfs/dbraw/zinc/87/25/22/256872522.db2.gz LJVYLXABDDIITQ-IHEQNBGGSA-N 0 0 298.426 4.301 10 0 CIAERN CSCC[C@H](C)N(C)c1ccnc2c(F)cc(F)cc12 ZINC000302537420 533639849 /nfs/dbraw/zinc/63/98/49/533639849.db2.gz RUOJBCBEPNUGIO-JTQLQIEISA-N 0 0 296.386 4.091 10 0 CIAERN C[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1cccs1 ZINC000171388974 335064210 /nfs/dbraw/zinc/06/42/10/335064210.db2.gz APOUUOFSQYDYTH-JTQLQIEISA-N 0 0 285.372 4.112 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(Cl)cc2N)c(Cl)c1 ZINC000226347174 130824427 /nfs/dbraw/zinc/82/44/27/130824427.db2.gz XYSNODFWBRQAAZ-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Fc1cccc2c(N3CCCc4ccccc43)ccnc12 ZINC000039963726 134856451 /nfs/dbraw/zinc/85/64/51/134856451.db2.gz JZPDMVPRMQIPAO-UHFFFAOYSA-N 0 0 278.330 4.458 10 0 CIAERN CCCC[C@H]1C[C@]1(Br)[C@@H](O)c1ccccc1 ZINC000003129372 169858824 /nfs/dbraw/zinc/85/88/24/169858824.db2.gz HHUABOVBWUINQY-MELADBBJSA-N 0 0 283.209 4.064 10 0 CIAERN O=C(Nc1cccc(Cl)c1)c1ccc2ccccc2c1O ZINC000001727154 169751256 /nfs/dbraw/zinc/75/12/56/169751256.db2.gz GOJVHGHCHCDSSJ-UHFFFAOYSA-N 0 0 297.741 4.451 10 0 CIAERN CCCCN(CC)c1ncnc2sc3c(c21)CCCC3 ZINC000001965584 169764946 /nfs/dbraw/zinc/76/49/46/169764946.db2.gz DLSMRPKBVROTIV-UHFFFAOYSA-N 0 0 289.448 4.197 10 0 CIAERN O[C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002002260 169766339 /nfs/dbraw/zinc/76/63/39/169766339.db2.gz RGMCATMRVFCULW-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN Cc1ncn(Nc2cccc(C)c2)c1-c1ccccc1 ZINC000003641458 169905473 /nfs/dbraw/zinc/90/54/73/169905473.db2.gz QTHXKUDOCGYFHF-UHFFFAOYSA-N 0 0 263.344 4.042 10 0 CIAERN Cc1ccc(-c2csc(-c3cccc(N)c3)n2)s1 ZINC000004245305 169948249 /nfs/dbraw/zinc/94/82/49/169948249.db2.gz RTURMCMOTQACIB-UHFFFAOYSA-N 0 0 272.398 4.429 10 0 CIAERN c1ccc(C2=NN(c3ccccc3)CN2c2ccccc2)cc1 ZINC000004272002 169951078 /nfs/dbraw/zinc/95/10/78/169951078.db2.gz NNVGTIRYCCWRSL-UHFFFAOYSA-N 0 0 299.377 4.333 10 0 CIAERN CC(C)CNc1nc(-c2cc(F)ccc2F)cs1 ZINC000005156783 170071971 /nfs/dbraw/zinc/07/19/71/170071971.db2.gz YXJFSNKXRUWBHC-UHFFFAOYSA-N 0 0 268.332 4.156 10 0 CIAERN Cc1ccc(N[P@](C)(=O)Oc2ccccc2)cc1 ZINC000005257422 170080477 /nfs/dbraw/zinc/08/04/77/170080477.db2.gz KDZQLRQKSBGPAU-GOSISDBHSA-N 0 0 261.261 4.309 10 0 CIAERN CCC(CC)(c1ccc(OC)cc1)n1nnc2ccccc21 ZINC000005307603 170084760 /nfs/dbraw/zinc/08/47/60/170084760.db2.gz KYXHXWYXNSXUTC-UHFFFAOYSA-N 0 0 295.386 4.004 10 0 CIAERN CN(C)c1ccc([C@@H](c2ccc[nH]2)c2ccccc2)cc1 ZINC000005328718 170086022 /nfs/dbraw/zinc/08/60/22/170086022.db2.gz NDKRCSBSYHJSPV-IBGZPJMESA-N 0 0 276.383 4.261 10 0 CIAERN Cc1ccc([C@@H](O)[C@@H](c2ccccc2)n2cccc2)cc1 ZINC000005416604 170096326 /nfs/dbraw/zinc/09/63/26/170096326.db2.gz AMDCAOGVRMRURX-RTBURBONSA-N 0 0 277.367 4.120 10 0 CIAERN Cc1ccc([C@H](C(C)C)n2nnc3ccccc32)s1 ZINC000005417801 170096738 /nfs/dbraw/zinc/09/67/38/170096738.db2.gz DWTQTEPPPOTEOR-HNNXBMFYSA-N 0 0 271.389 4.047 10 0 CIAERN Cc1c[nH]c2nc(-c3ccc4ccccc4c3)cc(=O)c-2c1 ZINC000005503956 170105531 /nfs/dbraw/zinc/10/55/31/170105531.db2.gz ZLYSKFYZBYRVSU-UHFFFAOYSA-N 0 0 286.334 4.052 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000005528290 170108951 /nfs/dbraw/zinc/10/89/51/170108951.db2.gz LVQICQRYXCFQHA-XKQHDHNFSA-N 0 0 285.431 4.328 10 0 CIAERN O=C(c1ccc(F)cc1)n1c2ccccc2c2c1CCCC2 ZINC000005604895 170118812 /nfs/dbraw/zinc/11/88/12/170118812.db2.gz TZOVBZFNTMCNDH-UHFFFAOYSA-N 0 0 293.341 4.348 10 0 CIAERN c1ccc2c(c1)[nH]c1c2CCN=C1c1cccc2cccnc21 ZINC000005704876 170131357 /nfs/dbraw/zinc/13/13/57/170131357.db2.gz BGJQSTOJEPGFPD-UHFFFAOYSA-N 0 0 297.361 4.110 10 0 CIAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(C)c(C)c2)cc1 ZINC000005713142 170132345 /nfs/dbraw/zinc/13/23/45/170132345.db2.gz LFZFXBLOCVNDBR-XYOKQWHBSA-N 0 0 296.366 4.321 10 0 CIAERN Cc1cccc2c1nc(-c1ccc(C(C)(C)C)cc1)oc2=O ZINC000005748280 170136647 /nfs/dbraw/zinc/13/66/47/170136647.db2.gz OGXITJICPVVXKM-UHFFFAOYSA-N 0 0 293.366 4.461 10 0 CIAERN CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O ZINC000005761533 170137780 /nfs/dbraw/zinc/13/77/80/170137780.db2.gz ZISJNXNHJRQYJO-CMDGGOBGSA-N 0 0 254.329 4.392 10 0 investigational CIAERN Cc1ccc2[nH]c(COc3ccccc3Cl)nc2c1 ZINC000005818398 170143779 /nfs/dbraw/zinc/14/37/79/170143779.db2.gz HXEMOVYXACHBIL-UHFFFAOYSA-N 0 0 272.735 4.104 10 0 CIAERN CCCN1c2c(C)c(C)ccc2Oc2ccc(N)cc2C1=O ZINC000005838767 170145347 /nfs/dbraw/zinc/14/53/47/170145347.db2.gz MZLWHKPSWKYJAX-UHFFFAOYSA-N 0 0 296.370 4.048 10 0 CIAERN CC(C)[C@@H]1CO[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000005881259 170149729 /nfs/dbraw/zinc/14/97/29/170149729.db2.gz ADVAHDVGFJERMQ-OALUTQOASA-N 0 0 281.399 4.242 10 0 CIAERN CCOC(=O)c1c(N)sc(C)c1-c1ccc(CC)cc1 ZINC000005911727 170154518 /nfs/dbraw/zinc/15/45/18/170154518.db2.gz YONYKNJRAAWLGF-UHFFFAOYSA-N 0 0 289.400 4.045 10 0 CIAERN COC(=O)c1occ(-c2ccccc2)c1-c1ccccc1 ZINC000005997449 170166634 /nfs/dbraw/zinc/16/66/34/170166634.db2.gz UGNQSWFJOLHGLP-UHFFFAOYSA-N 0 0 278.307 4.400 10 0 CIAERN CCCCN(CCCC)C(=O)[C@@H](CC)Oc1ccccc1 ZINC000006042598 170171174 /nfs/dbraw/zinc/17/11/74/170171174.db2.gz ODGZRIDZXNVTDY-QGZVFWFLSA-N 0 0 291.435 4.273 10 0 CIAERN CCCN(CCC)C(=O)/C=C/c1cccc(Cl)c1 ZINC000006043198 170171327 /nfs/dbraw/zinc/17/13/27/170171327.db2.gz LPKBELNXMQSFLE-CMDGGOBGSA-N 0 0 265.784 4.002 10 0 CIAERN Clc1c2c(nn1-c1ccc(Cl)cc1)CCCC2 ZINC000006093422 170175841 /nfs/dbraw/zinc/17/58/41/170175841.db2.gz OBXJBOMYWFIMQX-UHFFFAOYSA-N 0 0 267.159 4.058 10 0 CIAERN O=C1c2ccccc2CCC[C@H]1Cc1ccccc1 ZINC000006096560 170176264 /nfs/dbraw/zinc/17/62/64/170176264.db2.gz QRGINKXDBCDGDT-INIZCTEOSA-N 0 0 250.341 4.065 10 0 CIAERN O=C(c1ccccc1)[C@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000006116371 170176944 /nfs/dbraw/zinc/17/69/44/170176944.db2.gz DNNDHIKCLIZHBH-PKOBYXMFSA-N 0 0 296.366 4.154 10 0 CIAERN O=C(c1ccccc1)[C@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000006116370 170177234 /nfs/dbraw/zinc/17/72/34/170177234.db2.gz DNNDHIKCLIZHBH-IEBWSBKVSA-N 0 0 296.366 4.154 10 0 CIAERN C[C@@H](NC(=O)c1ccccc1F)c1ccc2ccccc2c1 ZINC000006151854 170179263 /nfs/dbraw/zinc/17/92/63/170179263.db2.gz NHWMCGKPOAEWBM-CYBMUJFWSA-N 0 0 293.341 4.470 10 0 CIAERN C[C@H](NC(=O)c1ccccc1F)c1ccc2ccccc2c1 ZINC000006151853 170179385 /nfs/dbraw/zinc/17/93/85/170179385.db2.gz NHWMCGKPOAEWBM-ZDUSSCGKSA-N 0 0 293.341 4.470 10 0 CIAERN CCN(Cc1ccccc1)C(=O)/C(C)=C\c1ccccc1 ZINC000006311591 170190140 /nfs/dbraw/zinc/19/01/40/170190140.db2.gz XQZOINDJINOHSV-PEZBUJJGSA-N 0 0 279.383 4.139 10 0 CIAERN Cc1ccc(C(=O)Nc2ccccc2-n2cccc2)cc1 ZINC000006390621 170197576 /nfs/dbraw/zinc/19/75/76/170197576.db2.gz LTDFVQRMZBRKBF-UHFFFAOYSA-N 0 0 276.339 4.038 10 0 CIAERN CCSc1ccccc1C(=O)N1CCCC[C@H]1CC ZINC000006440584 170201525 /nfs/dbraw/zinc/20/15/25/170201525.db2.gz VZLWRYKJQFWQSE-CYBMUJFWSA-N 0 0 277.433 4.203 10 0 CIAERN CC(C)CCC[C@@H](C)Nc1ncnc2sccc21 ZINC000006541621 170211799 /nfs/dbraw/zinc/21/17/99/170211799.db2.gz HCSNPIOVATZCMA-LLVKDONJSA-N 0 0 263.410 4.318 10 0 CIAERN CC(C)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000006563966 170213735 /nfs/dbraw/zinc/21/37/35/170213735.db2.gz RXJDZWYVVUAYOX-UHFFFAOYSA-N 0 0 298.169 4.392 10 0 CIAERN Clc1cc(Cl)nc(SCc2ccccc2)n1 ZINC000006580415 170215455 /nfs/dbraw/zinc/21/54/55/170215455.db2.gz OSSXOGKDVQWILL-UHFFFAOYSA-N 0 0 271.172 4.076 10 0 CIAERN CCCCCc1nnc(NC(=O)[C@H](CC)CCCC)s1 ZINC000006597925 170217760 /nfs/dbraw/zinc/21/77/60/170217760.db2.gz ZUQJZTMGQSMNQN-GFCCVEGCSA-N 0 0 297.468 4.426 10 0 CIAERN Cc1nc2scc(-c3ccccc3)c2c(NC2CC2)n1 ZINC000006787627 170244019 /nfs/dbraw/zinc/24/40/19/170244019.db2.gz CSAVJSHUZIDLBA-UHFFFAOYSA-N 0 0 281.384 4.241 10 0 CIAERN CCOC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1C ZINC000006910614 170254493 /nfs/dbraw/zinc/25/44/93/170254493.db2.gz IFILFHODFKRWGC-UHFFFAOYSA-N 0 0 293.413 4.062 10 0 CIAERN CC(C)c1ccc(-c2nc3cc(O)ccc3[nH]2)cc1 ZINC000006952503 170258836 /nfs/dbraw/zinc/25/88/36/170258836.db2.gz UWNJYYTXQGREOF-UHFFFAOYSA-N 0 0 252.317 4.059 10 0 CIAERN COc1ccc(-c2csc(NCC(C)C)n2)cc1F ZINC000007273837 170274821 /nfs/dbraw/zinc/27/48/21/170274821.db2.gz AEWJIWGLBUPSRE-UHFFFAOYSA-N 0 0 280.368 4.026 10 0 CIAERN Cc1ccc(OCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000007654441 170296046 /nfs/dbraw/zinc/29/60/46/170296046.db2.gz UWAAELKEDIQQDC-UHFFFAOYSA-N 0 0 289.762 4.056 10 0 CIAERN CCCOc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000007660278 170296615 /nfs/dbraw/zinc/29/66/15/170296615.db2.gz MTJLITGNLCDXLT-MDWZMJQESA-N 0 0 295.382 4.436 10 0 CIAERN Cc1ccc(C)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000007669024 170296807 /nfs/dbraw/zinc/29/68/07/170296807.db2.gz DKJFBBMYFJVILJ-UHFFFAOYSA-N 0 0 283.371 4.343 10 0 CIAERN Cc1sc(NC(C)(C)C)nc1-c1ccc(F)cc1 ZINC000007844570 170304849 /nfs/dbraw/zinc/30/48/49/170304849.db2.gz UXLAJIYFVZPQII-UHFFFAOYSA-N 0 0 264.369 4.468 10 0 CIAERN CC(C)(C)Nc1nc(-c2ccccc2F)cs1 ZINC000007844625 170304896 /nfs/dbraw/zinc/30/48/96/170304896.db2.gz BKSBWRRSXKHKBF-UHFFFAOYSA-N 0 0 250.342 4.160 10 0 CIAERN COc1ccc(-c2csc(NC(C)(C)C)n2)c(OC)c1 ZINC000007844650 170304951 /nfs/dbraw/zinc/30/49/51/170304951.db2.gz IIHPMGULRBQYEN-UHFFFAOYSA-N 0 0 292.404 4.038 10 0 CIAERN Cc1csc(Cc2nc(-c3ccccc3)cs2)n1 ZINC000008298366 170329484 /nfs/dbraw/zinc/32/94/84/170329484.db2.gz MUBDZBLSSPYCAC-UHFFFAOYSA-N 0 0 272.398 4.166 10 0 CIAERN c1csc(N2CCc3ccccc3[C@@H]2c2ccncc2)c1 ZINC000008436449 170336463 /nfs/dbraw/zinc/33/64/63/170336463.db2.gz RPYMCKOIYUNZFZ-SFHVURJKSA-N 0 0 292.407 4.295 10 0 CIAERN O=C(NCc1ccccc1)c1cccc(-c2cccs2)c1 ZINC000008517074 170338926 /nfs/dbraw/zinc/33/89/26/170338926.db2.gz GNZRZTGEPYTBGR-UHFFFAOYSA-N 0 0 293.391 4.345 10 0 CIAERN CCCC(=O)Nc1nc2c(cccc2C(C)C)s1 ZINC000008967618 170359792 /nfs/dbraw/zinc/35/97/92/170359792.db2.gz CBUHCVZHKHEVOG-UHFFFAOYSA-N 0 0 262.378 4.158 10 0 CIAERN CC(=O)c1cc(C)n(Cc2ccccc2Cl)c1C ZINC000009246053 170368176 /nfs/dbraw/zinc/36/81/76/170368176.db2.gz GKPRCFGWDRXQII-UHFFFAOYSA-N 0 0 261.752 4.009 10 0 CIAERN Cc1ccc([C@@H]2Nc3ccccc3[C@H]3OCC[C@@H]32)cc1 ZINC000009280415 170369987 /nfs/dbraw/zinc/36/99/87/170369987.db2.gz JSZKMJJORLWRAX-BPQIPLTHSA-N 0 0 265.356 4.239 10 0 CIAERN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccccc1)N2 ZINC000009280401 170370136 /nfs/dbraw/zinc/37/01/36/170370136.db2.gz UNMNWKGQNLOJGL-JCGIZDLHSA-N 0 0 265.356 4.239 10 0 CIAERN CCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000010120862 170398088 /nfs/dbraw/zinc/39/80/88/170398088.db2.gz DGARTZVHZGUQBV-UHFFFAOYSA-N 0 0 275.392 4.384 10 0 CIAERN CCC[C@@H]([NH2+]Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000010436491 170406735 /nfs/dbraw/zinc/40/67/35/170406735.db2.gz DMZIJGSHGBVNOL-QGZVFWFLSA-N 0 0 283.371 4.016 10 0 CIAERN Cc1cccc(-c2nc(-c3cccc(N)c3)cs2)c1 ZINC000011568341 170420890 /nfs/dbraw/zinc/42/08/90/170420890.db2.gz VNJBKJSWVIEEAP-UHFFFAOYSA-N 0 0 266.369 4.368 10 0 CIAERN NC(=S)c1ccccc1OCc1cccc2ccccc21 ZINC000011797384 170441503 /nfs/dbraw/zinc/44/15/03/170441503.db2.gz DQGGHEUHUSGNBB-UHFFFAOYSA-N 0 0 293.391 4.053 10 0 CIAERN CC(C)Cc1ccc([C@H](C)C(=O)N2CCCCCC2)cc1 ZINC000012027238 170467559 /nfs/dbraw/zinc/46/75/59/170467559.db2.gz AQOURYJNHQYLTM-INIZCTEOSA-N 0 0 287.447 4.391 10 0 CIAERN Cc1ccc([S@](=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000012461892 170489529 /nfs/dbraw/zinc/48/95/29/170489529.db2.gz NQICGNSARVCSGJ-FKKBTLCVSA-N 0 0 294.460 4.495 10 0 CIAERN CCCCc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1 ZINC000012519522 170492606 /nfs/dbraw/zinc/49/26/06/170492606.db2.gz UTVXZVNXHDSAHV-UHFFFAOYSA-N 0 0 293.370 4.158 10 0 CIAERN COc1cc2c(cc1C)[C@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 ZINC000013467316 170552640 /nfs/dbraw/zinc/55/26/40/170552640.db2.gz DIVPKWHYWKSKRU-VZHLBOQGSA-N 0 0 298.426 4.429 10 0 CIAERN Fc1cccc(O[C@H](c2ccccc2)C2CCOCC2)c1 ZINC000013531058 170558529 /nfs/dbraw/zinc/55/85/29/170558529.db2.gz NWYNYCVQSOJKSC-GOSISDBHSA-N 0 0 286.346 4.372 10 0 CIAERN COc1cc(/C=C\c2ccc(F)cc2)cc(OC)c1 ZINC000013607314 170568964 /nfs/dbraw/zinc/56/89/64/170568964.db2.gz BXIQOACOSDGVBH-ARJAWSKDSA-N 0 0 258.292 4.013 10 0 CIAERN CCCCNC(=S)Nc1c(C)cccc1C(C)C ZINC000013812473 170596945 /nfs/dbraw/zinc/59/69/45/170596945.db2.gz OBBGJZXMOPYBEM-UHFFFAOYSA-N 0 0 264.438 4.205 10 0 CIAERN Cc1ccc(C)c(NC(=S)Nc2ccc(Cl)cn2)c1 ZINC000013837938 170603570 /nfs/dbraw/zinc/60/35/70/170603570.db2.gz DIPPJAAVGRENCR-UHFFFAOYSA-N 0 0 291.807 4.161 10 0 CIAERN Cc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)c(C)c1 ZINC000014042525 170617316 /nfs/dbraw/zinc/61/73/16/170617316.db2.gz YUPAVMMKTKQYSH-INIZCTEOSA-N 0 0 297.398 4.326 10 0 CIAERN CCOc1ccc(C(=O)Oc2ccc(C)c(Cl)c2)cc1 ZINC000014778619 170644854 /nfs/dbraw/zinc/64/48/54/170644854.db2.gz OEBIWAFEKJNRKO-UHFFFAOYSA-N 0 0 290.746 4.266 10 0 CIAERN CC(C)Oc1ccc(C(=O)Oc2ccccc2Cl)cc1 ZINC000014780180 170645112 /nfs/dbraw/zinc/64/51/12/170645112.db2.gz FSESBWHBZXGJAF-UHFFFAOYSA-N 0 0 290.746 4.346 10 0 CIAERN S=C(Nc1nccs1)Nc1cccc2ccccc21 ZINC000018191672 170747236 /nfs/dbraw/zinc/74/72/36/170747236.db2.gz GNWJFDLWFRHEIX-UHFFFAOYSA-N 0 0 285.397 4.105 10 0 CIAERN CC[C@H](C(=O)Nc1ccc(Cl)c(N)c1)c1ccccc1 ZINC000019279588 170770947 /nfs/dbraw/zinc/77/09/47/170770947.db2.gz STMMLIUIVKRKFW-ZDUSSCGKSA-N 0 0 288.778 4.055 10 0 CIAERN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1N ZINC000019807996 170876537 /nfs/dbraw/zinc/87/65/37/170876537.db2.gz KULYSZONJLZKEU-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Nc1cc(F)ccc1Sc1nc2ccccc2s1 ZINC000019869322 170900408 /nfs/dbraw/zinc/90/04/08/170900408.db2.gz KXQGYYCIQWKHIA-UHFFFAOYSA-N 0 0 276.361 4.169 10 0 CIAERN CCc1cccc(Oc2cccc(F)c2C(C)=O)c1 ZINC000019871596 170901983 /nfs/dbraw/zinc/90/19/83/170901983.db2.gz UCEHOODAMJYDFP-UHFFFAOYSA-N 0 0 258.292 4.383 10 0 CIAERN CCOc1ccccc1Oc1ccccc1C(C)=O ZINC000019871464 170902034 /nfs/dbraw/zinc/90/20/34/170902034.db2.gz POPTZZMLEHJNHS-UHFFFAOYSA-N 0 0 256.301 4.080 10 0 CIAERN CC(=O)c1ccc(Sc2ccccc2F)c(F)c1 ZINC000019871720 170902334 /nfs/dbraw/zinc/90/23/34/170902334.db2.gz ZTFVOSPEWSCEBE-UHFFFAOYSA-N 0 0 264.296 4.319 10 0 CIAERN C[C@@H](Nc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000019879545 170907657 /nfs/dbraw/zinc/90/76/57/170907657.db2.gz ROKBZOPTSKWVBZ-CYBMUJFWSA-N 0 0 269.344 4.021 10 0 CIAERN C[C@@H](Nc1cccnc1)c1ccc(OC(F)(F)F)cc1 ZINC000019884571 170909168 /nfs/dbraw/zinc/90/91/68/170909168.db2.gz NGDUOXOXOLWYFK-SNVBAGLBSA-N 0 0 282.265 4.153 10 0 CIAERN CSc1cccc(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000019900562 170912868 /nfs/dbraw/zinc/91/28/68/170912868.db2.gz XMNOBRWYBWPZOW-NSHDSACASA-N 0 0 259.374 4.287 10 0 CIAERN COc1ccc(N[C@H]2CCOc3ccccc32)cc1Cl ZINC000019903601 170915172 /nfs/dbraw/zinc/91/51/72/170915172.db2.gz RKDYAWHEGMAFGH-AWEZNQCLSA-N 0 0 289.762 4.284 10 0 CIAERN COc1ccc([C@@H](C)Nc2cccc3cccnc32)cc1 ZINC000019903689 170915473 /nfs/dbraw/zinc/91/54/73/170915473.db2.gz XOYYPFKRGHXDQV-CYBMUJFWSA-N 0 0 278.355 4.417 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cccc3cccnc32)o1 ZINC000019903693 170915482 /nfs/dbraw/zinc/91/54/82/170915482.db2.gz KQIPJIQTLQZAIE-GFCCVEGCSA-N 0 0 252.317 4.309 10 0 CIAERN Fc1ccc(N[C@H]2CCc3ccccc32)c(F)c1F ZINC000019907643 170919631 /nfs/dbraw/zinc/91/96/31/170919631.db2.gz FFZSYMQVGHHEHU-LBPRGKRZSA-N 0 0 263.262 4.203 10 0 CIAERN COc1ccc(OC)c(N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000019910761 170921607 /nfs/dbraw/zinc/92/16/07/170921607.db2.gz UVRBDSPCAOJZIR-CQSZACIVSA-N 0 0 285.387 4.494 10 0 CIAERN Oc1ccc2c(c1)OC[C@H]2Nc1ccc(Cl)c(Cl)c1 ZINC000019913625 170924147 /nfs/dbraw/zinc/92/41/47/170924147.db2.gz RACVFQGKDMQPBB-CYBMUJFWSA-N 0 0 296.153 4.245 10 0 CIAERN COc1ccc(Cl)cc1N[C@H](C)c1ccc(O)cc1 ZINC000019914110 170924339 /nfs/dbraw/zinc/92/43/39/170924339.db2.gz IFBIAZYEAZFLEU-SNVBAGLBSA-N 0 0 277.751 4.227 10 0 CIAERN COc1ccc(Cl)cc1N[C@H]1CCOc2ccccc21 ZINC000019914237 170924395 /nfs/dbraw/zinc/92/43/95/170924395.db2.gz VRGBCXFRNIUIAX-ZDUSSCGKSA-N 0 0 289.762 4.284 10 0 CIAERN COc1cccc([C@@H](C)Nc2ccc(C)c(C)c2)c1 ZINC000019920176 170928161 /nfs/dbraw/zinc/92/81/61/170928161.db2.gz JXAJDORIURSWOB-CQSZACIVSA-N 0 0 255.361 4.485 10 0 CIAERN Cc1ccc(N[C@H](C)c2nc3ccccc3n2C)cc1C ZINC000019920224 170928299 /nfs/dbraw/zinc/92/82/99/170928299.db2.gz TVALTDCBBZKCLB-CQSZACIVSA-N 0 0 279.387 4.363 10 0 CIAERN Cc1ccc(F)cc1N[C@@H]1CCOc2ccccc21 ZINC000019953783 170940355 /nfs/dbraw/zinc/94/03/55/170940355.db2.gz XGYNVZZNUPYRKT-CQSZACIVSA-N 0 0 257.308 4.070 10 0 CIAERN C[C@H](Nc1cc(F)cc(F)c1)c1c(F)cccc1F ZINC000019961835 170943793 /nfs/dbraw/zinc/94/37/93/170943793.db2.gz YHOFPBBWYIKFOW-QMMMGPOBSA-N 0 0 269.241 4.416 10 0 CIAERN Cc1cccc(N[C@@H]2CCOc3ccccc32)c1C ZINC000019964350 170946057 /nfs/dbraw/zinc/94/60/57/170946057.db2.gz JMLFYRVQXOAYMN-MRXNPFEDSA-N 0 0 253.345 4.239 10 0 CIAERN c1ccc2c(c1)CCCC[C@H]2Nc1ccc2c(c1)OCO2 ZINC000019966218 170947806 /nfs/dbraw/zinc/94/78/06/170947806.db2.gz OCZSUGFCVRUJCW-MRXNPFEDSA-N 0 0 281.355 4.295 10 0 CIAERN CCOc1ccc(OCC)c(N[C@H]2CCC[C@H](C)C2)c1 ZINC000020021806 170971727 /nfs/dbraw/zinc/97/17/27/170971727.db2.gz DIFGZNCXSIAMSV-KBPBESRZSA-N 0 0 277.408 4.475 10 0 CIAERN COc1cc(C)ccc1Oc1cccc(Cl)c1C=O ZINC000020079247 170985394 /nfs/dbraw/zinc/98/53/94/170985394.db2.gz ATVPNKKDHTUCJH-UHFFFAOYSA-N 0 0 276.719 4.262 10 0 CIAERN Cc1nc([C@@H](C)Nc2cc(F)cc(F)c2)c(C)s1 ZINC000020092121 170991239 /nfs/dbraw/zinc/99/12/39/170991239.db2.gz KKQMMVSCSOJNBM-SSDOTTSWSA-N 0 0 268.332 4.211 10 0 CIAERN CCC(=O)Nc1cccc(N[C@H]2CCCC[C@@H]2C)c1 ZINC000020131843 171020658 /nfs/dbraw/zinc/02/06/58/171020658.db2.gz SGQHLFOAWRDMNH-WFASDCNBSA-N 0 0 260.381 4.026 10 0 CIAERN Oc1cccc(NCc2c(Cl)cccc2Cl)c1 ZINC000020193957 171059402 /nfs/dbraw/zinc/05/94/02/171059402.db2.gz MLBUWBXLAGNLCT-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN Oc1cccc(N[C@@H]2CCCCc3ccccc32)c1 ZINC000020193307 171059518 /nfs/dbraw/zinc/05/95/18/171059518.db2.gz ONKLMCGDDXIIBD-QGZVFWFLSA-N 0 0 253.345 4.272 10 0 CIAERN O=C(c1ccccc1)c1cccc(Cl)c1Cl ZINC000020230952 171094042 /nfs/dbraw/zinc/09/40/42/171094042.db2.gz RLUFBDIRFJGKLY-UHFFFAOYSA-N 0 0 251.112 4.224 10 0 CIAERN COC(=O)c1c(C)[nH]cc1Cc1ccc(Cl)cc1Cl ZINC000020272524 171127444 /nfs/dbraw/zinc/12/74/44/171127444.db2.gz OVOLCNVLGFJNPT-UHFFFAOYSA-N 0 0 298.169 4.007 10 0 CIAERN CCC(C)(C)c1ccc(Oc2ncccc2N)cc1 ZINC000020278583 171132322 /nfs/dbraw/zinc/13/23/22/171132322.db2.gz PYSXDUDGUDBDBA-UHFFFAOYSA-N 0 0 256.349 4.144 10 0 CIAERN Nc1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1 ZINC000020352053 171155981 /nfs/dbraw/zinc/15/59/81/171155981.db2.gz USEADACTYXYUKR-UHFFFAOYSA-N 0 0 285.240 4.006 10 0 CIAERN CCCCCCNc1cc(Cl)c(OC)cc1OC ZINC000020360233 171158948 /nfs/dbraw/zinc/15/89/48/171158948.db2.gz WNZNENMIQKDESS-UHFFFAOYSA-N 0 0 271.788 4.349 10 0 CIAERN Cn1cccc1CNc1ccccc1-c1ccccc1 ZINC000020359840 171158963 /nfs/dbraw/zinc/15/89/63/171158963.db2.gz MVAIYHMTYZJSAM-UHFFFAOYSA-N 0 0 262.356 4.304 10 0 CIAERN COc1ccc(OC)c(CNc2cccc(Cl)c2F)c1 ZINC000020361861 171160157 /nfs/dbraw/zinc/16/01/57/171160157.db2.gz GDVARAXAAPTADJ-UHFFFAOYSA-N 0 0 295.741 4.108 10 0 CIAERN COc1ccc2c(C)c(C(=O)c3ccccc3F)oc2c1 ZINC000020362333 171160736 /nfs/dbraw/zinc/16/07/36/171160736.db2.gz USXPIDRTLPWOQX-UHFFFAOYSA-N 0 0 284.286 4.120 10 0 CIAERN Cc1c2ccccc2oc1C(=O)c1cc(F)ccc1F ZINC000020362322 171160755 /nfs/dbraw/zinc/16/07/55/171160755.db2.gz ZRTXOQMZIZUOIL-UHFFFAOYSA-N 0 0 272.250 4.250 10 0 CIAERN COc1ccc2oc(C(=O)c3ccccc3F)c(C)c2c1 ZINC000020362352 171161105 /nfs/dbraw/zinc/16/11/05/171161105.db2.gz JSGULUVUZNELLX-UHFFFAOYSA-N 0 0 284.286 4.120 10 0 CIAERN CCOc1ccc(-c2nnc(Cl)c3ccccc32)cc1 ZINC000020381253 171172825 /nfs/dbraw/zinc/17/28/25/171172825.db2.gz CIRWLAIBYNVAMS-UHFFFAOYSA-N 0 0 284.746 4.349 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2ccc(N)cc2Cl)[C@@H]1C ZINC000020383495 171174507 /nfs/dbraw/zinc/17/45/07/171174507.db2.gz MBSLLPFHMCHGKP-BREBYQMCSA-N 0 0 252.789 4.159 10 0 CIAERN Cc1cc(C)c(C)c(Oc2ccc(C=O)cc2F)c1 ZINC000020425633 171192211 /nfs/dbraw/zinc/19/22/11/171192211.db2.gz VNYQNFLJLCUBPY-UHFFFAOYSA-N 0 0 258.292 4.356 10 0 CIAERN CCc1nnc(SC2CCCCC2)n1-c1ccccc1 ZINC000020427802 171193506 /nfs/dbraw/zinc/19/35/06/171193506.db2.gz SXXGDZHKVSSGQI-UHFFFAOYSA-N 0 0 287.432 4.255 10 0 CIAERN C[C@H](Nc1ccc(F)cc1Br)c1ccncc1 ZINC000020430525 171195523 /nfs/dbraw/zinc/19/55/23/171195523.db2.gz YAQIAMVTIAFGPQ-VIFPVBQESA-N 0 0 295.155 4.156 10 0 CIAERN OCc1ccccc1Oc1cccc(Cl)c1Cl ZINC000020435094 171200526 /nfs/dbraw/zinc/20/05/26/171200526.db2.gz JLKWFUBMYPIAKN-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN OCc1ccccc1Oc1cc(Cl)ccc1Cl ZINC000020435295 171201168 /nfs/dbraw/zinc/20/11/68/171201168.db2.gz GWZYZHCXXXHFCF-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN Cc1cccc(Oc2cccc(Cl)c2CO)c1C ZINC000020435326 171201217 /nfs/dbraw/zinc/20/12/17/171201217.db2.gz BADJNFMGDHLTRW-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN OCc1c(Cl)cccc1Oc1ccc(Cl)cc1 ZINC000020435360 171201471 /nfs/dbraw/zinc/20/14/71/171201471.db2.gz XLZOGNLLIQCBOK-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN COc1ccc(CNc2cccc(Cl)c2F)cc1 ZINC000020472480 171215787 /nfs/dbraw/zinc/21/57/87/171215787.db2.gz IQWHUZZBQWJQPJ-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN Nc1cc(C(F)(F)F)ccc1SCc1ccco1 ZINC000020480757 171221610 /nfs/dbraw/zinc/22/16/10/171221610.db2.gz NMIGKWURMABNJP-UHFFFAOYSA-N 0 0 273.279 4.173 10 0 CIAERN CCCC[C@@H](CC)C(=O)Nc1ccc(Cl)cc1N ZINC000020481653 171222440 /nfs/dbraw/zinc/22/24/40/171222440.db2.gz KPWWOEMKYHAORN-SNVBAGLBSA-N 0 0 268.788 4.077 10 0 CIAERN CCCCN(CCCC)c1cccc(F)c1C(C)=O ZINC000020485694 171225085 /nfs/dbraw/zinc/22/50/85/171225085.db2.gz PEGRIPZQPHRFSX-UHFFFAOYSA-N 0 0 265.372 4.435 10 0 CIAERN Clc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1 ZINC000020494284 171226679 /nfs/dbraw/zinc/22/66/79/171226679.db2.gz NPQKGKBYASCJLC-UHFFFAOYSA-N 0 0 269.691 4.025 10 0 CIAERN C[C@H]1CCC[C@H](Oc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000020507242 171228683 /nfs/dbraw/zinc/22/86/83/171228683.db2.gz VXAIDSIITKSXLY-UWVGGRQHSA-N 0 0 273.298 4.245 10 0 CIAERN CC(=O)c1ccc(O[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000020516908 171232845 /nfs/dbraw/zinc/23/28/45/171232845.db2.gz KIUSIIXEOLPKDG-WBMJQRKESA-N 0 0 260.377 4.483 10 0 CIAERN CC(=O)c1ccc(OC[C@@H]2CC=CC[C@@H]2C)c(F)c1 ZINC000020519282 171233571 /nfs/dbraw/zinc/23/35/71/171233571.db2.gz UZANHSLYYAXQGD-FZMZJTMJSA-N 0 0 262.324 4.009 10 0 CIAERN CCCCCC[C@@H](C)Nc1ccc(OC)c(OC)c1 ZINC000020519985 171233799 /nfs/dbraw/zinc/23/37/99/171233799.db2.gz JOLMADISUKRXAH-CYBMUJFWSA-N 0 0 265.397 4.475 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccccc1C(F)(F)F ZINC000020524239 171237255 /nfs/dbraw/zinc/23/72/55/171237255.db2.gz JBFHXSBDMCUJJH-JTQLQIEISA-N 0 0 275.314 4.321 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cccc(Br)c1 ZINC000020524397 171237396 /nfs/dbraw/zinc/23/73/96/171237396.db2.gz NZDRGRBRMSNNNG-SNVBAGLBSA-N 0 0 286.213 4.065 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020524301 171237418 /nfs/dbraw/zinc/23/74/18/171237418.db2.gz ZJGBEBWRRPRWJM-SNVBAGLBSA-N 0 0 275.314 4.321 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000020524194 171237444 /nfs/dbraw/zinc/23/74/44/171237444.db2.gz NMMQEHUWONLHIN-LLVKDONJSA-N 0 0 255.789 4.264 10 0 CIAERN C[C@@H](CCc1ccccc1)Nc1ccc(F)cc1F ZINC000020548201 171245355 /nfs/dbraw/zinc/24/53/55/171245355.db2.gz FNYKHHIKXJGTQT-LBPRGKRZSA-N 0 0 261.315 4.398 10 0 CIAERN CC[C@H](C[C@@H](C)CC)Nc1ccc2c(c1)OCCCO2 ZINC000020552411 171247669 /nfs/dbraw/zinc/24/76/69/171247669.db2.gz XIZGKSAXQCKJDC-UONOGXRCSA-N 0 0 277.408 4.475 10 0 CIAERN CCCC(CCC)Nc1cc(OC)cc(OC)c1 ZINC000020554725 171249629 /nfs/dbraw/zinc/24/96/29/171249629.db2.gz LSOJZAVEYDHPHY-UHFFFAOYSA-N 0 0 251.370 4.085 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1cc(Cl)c(OC)cc1OC ZINC000020558853 171250974 /nfs/dbraw/zinc/25/09/74/171250974.db2.gz UUOBGEUWKZKQFR-UWVGGRQHSA-N 0 0 271.788 4.204 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(Br)cc1N ZINC000020562144 171252182 /nfs/dbraw/zinc/25/21/82/171252182.db2.gz YHIQROHFOUCDKR-ZWNOBZJWSA-N 0 0 298.224 4.379 10 0 CIAERN Cc1cc(N[C@H](C)C(C)C)ccc1Br ZINC000020562836 171252607 /nfs/dbraw/zinc/25/26/07/171252607.db2.gz HVDOZLBZWYLURS-SNVBAGLBSA-N 0 0 256.187 4.214 10 0 CIAERN CCc1ccc([C@@H](C)Nc2ccc(OC)cc2)cc1 ZINC000020566851 171254766 /nfs/dbraw/zinc/25/47/66/171254766.db2.gz VLVPUMCPWXOIMH-CYBMUJFWSA-N 0 0 255.361 4.431 10 0 CIAERN CCN(c1cccc(Cl)c1C=O)C1CCCCC1 ZINC000020566604 171254801 /nfs/dbraw/zinc/25/48/01/171254801.db2.gz YEXCQOJDNGJDPS-UHFFFAOYSA-N 0 0 265.784 4.312 10 0 CIAERN Cc1c(Cl)cccc1Nc1ccccc1C(N)=S ZINC000020566635 171254864 /nfs/dbraw/zinc/25/48/64/171254864.db2.gz GTGMKMHWOHOVGP-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN CC1=Cn2c(=S)c3ccccc3c(=S)n2C[C@@H]1C ZINC000020572573 171255683 /nfs/dbraw/zinc/25/56/83/171255683.db2.gz ADQBZNSEXSQGLC-JTQLQIEISA-N 0 0 274.414 4.412 10 0 CIAERN Nc1ccc(Nc2cccc3ccccc32)c(F)c1 ZINC000020584691 171258055 /nfs/dbraw/zinc/25/80/55/171258055.db2.gz AZDNMARUWYAIEC-UHFFFAOYSA-N 0 0 252.292 4.305 10 0 CIAERN CCOc1ccc(Nc2ccc(N)cc2Cl)cc1 ZINC000020584783 171258268 /nfs/dbraw/zinc/25/82/68/171258268.db2.gz HRQGPLMEQDHJDD-UHFFFAOYSA-N 0 0 262.740 4.065 10 0 CIAERN COc1ccc(Nc2ccc(N)cc2Cl)cc1Cl ZINC000020584814 171258341 /nfs/dbraw/zinc/25/83/41/171258341.db2.gz HVOLWJRXYKSFKJ-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN Nc1ccc(Nc2cccc(F)c2)cc1C(F)(F)F ZINC000020585498 171258562 /nfs/dbraw/zinc/25/85/62/171258562.db2.gz VSLKEDQVDQBNII-UHFFFAOYSA-N 0 0 270.229 4.170 10 0 CIAERN COc1ccc(Cl)cc1Nc1ccc(Cl)cc1N ZINC000020585385 171258608 /nfs/dbraw/zinc/25/86/08/171258608.db2.gz FRSSACFQXGYEAA-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN Cc1cc(Nc2ccc(N)cc2F)ccc1Br ZINC000020585233 171258641 /nfs/dbraw/zinc/25/86/41/171258641.db2.gz ZWWQIGYHJDTNRG-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Cc1cccc(Nc2ccc(C(F)(F)F)cc2N)c1 ZINC000020585759 171258973 /nfs/dbraw/zinc/25/89/73/171258973.db2.gz BTRJPNYFWWEQQH-UHFFFAOYSA-N 0 0 266.266 4.340 10 0 CIAERN C[C@@H]1CCCC[C@H]1n1c(=S)[nH]nc1-c1cccs1 ZINC000020591262 171261445 /nfs/dbraw/zinc/26/14/45/171261445.db2.gz LXGBMQBWVVBZSX-NXEZZACHSA-N 0 0 279.434 4.420 10 0 CIAERN CC(C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000020592595 171261967 /nfs/dbraw/zinc/26/19/67/171261967.db2.gz QHKASGXGPSQAFE-UHFFFAOYSA-N 0 0 267.122 4.034 10 0 CIAERN Cc1cc([C@H](N)c2cc3cc(Cl)ccc3o2)c(C)o1 ZINC000020592825 171261997 /nfs/dbraw/zinc/26/19/97/171261997.db2.gz MQZHMPUPSZDJJS-HNNXBMFYSA-N 0 0 275.735 4.344 10 0 CIAERN Cc1c2ccccc2oc1C(=O)c1ccccc1C ZINC000020592566 171262058 /nfs/dbraw/zinc/26/20/58/171262058.db2.gz USAYQHXLVBKBCI-UHFFFAOYSA-N 0 0 250.297 4.281 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(F)cc1Cl ZINC000020594684 171263813 /nfs/dbraw/zinc/26/38/13/171263813.db2.gz WHSCFAYUHYONSQ-VIFPVBQESA-N 0 0 259.752 4.095 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccc(F)cc1Cl ZINC000020595324 171264065 /nfs/dbraw/zinc/26/40/65/171264065.db2.gz DRVGIMIJXYPKBR-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Cc1ccc([C@H](C)Nc2ncnc3sc(C)c(C)c32)o1 ZINC000020669742 171269532 /nfs/dbraw/zinc/26/95/32/171269532.db2.gz JUGGHRYLJMIHHR-JTQLQIEISA-N 0 0 287.388 4.383 10 0 CIAERN CCOc1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1OCC ZINC000021009530 171286306 /nfs/dbraw/zinc/28/63/06/171286306.db2.gz CWDBAWHSWOXXPG-ZIAGYGMSSA-N 0 0 277.408 4.475 10 0 CIAERN CC(C)C[C@@H](C)Nc1ccc(Br)cc1 ZINC000021012247 171287662 /nfs/dbraw/zinc/28/76/62/171287662.db2.gz WIQDVKKTISTWRB-SNVBAGLBSA-N 0 0 256.187 4.296 10 0 CIAERN CC(C)C[C@H](C)Nc1ccc(Br)cc1 ZINC000021012248 171287792 /nfs/dbraw/zinc/28/77/92/171287792.db2.gz WIQDVKKTISTWRB-JTQLQIEISA-N 0 0 256.187 4.296 10 0 CIAERN COc1ccc(OC)c(N[C@H](C)CCc2ccccc2)c1 ZINC000021012380 171288199 /nfs/dbraw/zinc/28/81/99/171288199.db2.gz JTKAEIFPQZYCLR-CQSZACIVSA-N 0 0 285.387 4.137 10 0 CIAERN FC(F)(F)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000021033204 171291886 /nfs/dbraw/zinc/29/18/86/171291886.db2.gz RKKUPJIRPDTXNI-UHFFFAOYSA-N 0 0 263.262 4.232 10 0 CIAERN Cc1ccc(OCCc2ccccc2)c(Br)c1 ZINC000021036755 171293143 /nfs/dbraw/zinc/29/31/43/171293143.db2.gz VSPRVLIMUZDRNE-UHFFFAOYSA-N 0 0 291.188 4.379 10 0 CIAERN Cc1ccc(OC[C@@H](N)c2cc3ccccc3o2)c(C)c1 ZINC000021042227 171293629 /nfs/dbraw/zinc/29/36/29/171293629.db2.gz BYLLDVDISRSBQN-OAHLLOKOSA-N 0 0 281.355 4.128 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1ccccc1Br ZINC000021042675 171293898 /nfs/dbraw/zinc/29/38/98/171293898.db2.gz SKNZWLPILUCFJV-NXEZZACHSA-N 0 0 256.187 4.296 10 0 CIAERN FC1(F)Oc2ccc(N[C@@H]3CCc4ccccc43)cc2O1 ZINC000021046375 171293963 /nfs/dbraw/zinc/29/39/63/171293963.db2.gz CIQHZNRDZISUMY-CYBMUJFWSA-N 0 0 289.281 4.108 10 0 CIAERN C[C@H]1Cc2ccccc2N1c1c(N)cccc1Cl ZINC000021044578 171294122 /nfs/dbraw/zinc/29/41/22/171294122.db2.gz NGSZCJQECUSLLE-JTQLQIEISA-N 0 0 258.752 4.005 10 0 CIAERN CC(=O)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1 ZINC000021058244 171296309 /nfs/dbraw/zinc/29/63/09/171296309.db2.gz FCQXHNVMNGFNMC-UHFFFAOYSA-N 0 0 282.339 4.395 10 0 CIAERN CCC(CC)CNc1ccccc1OC(F)(F)F ZINC000021059747 171296984 /nfs/dbraw/zinc/29/69/84/171296984.db2.gz GLCJKNPMVYUZRT-UHFFFAOYSA-N 0 0 261.287 4.433 10 0 CIAERN Cc1c(Cl)cc(C(=O)Nc2cccc(F)c2)c(F)c1F ZINC000021266661 171300590 /nfs/dbraw/zinc/30/05/90/171300590.db2.gz RNBUYTAWWFDXOI-UHFFFAOYSA-N 0 0 299.679 4.318 10 0 CIAERN CCC(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000021362756 171303510 /nfs/dbraw/zinc/30/35/10/171303510.db2.gz XSLIOWIZHCPTKX-UHFFFAOYSA-N 0 0 292.338 4.357 10 0 CIAERN COc1ccc(N[C@H](C)c2ccc(CC(C)C)cc2)cn1 ZINC000021502895 171306291 /nfs/dbraw/zinc/30/62/91/171306291.db2.gz QNZBNJYLBGYXHT-CQSZACIVSA-N 0 0 284.403 4.462 10 0 CIAERN CC(C)(C)C1CCC(Nc2ccc3c(c2)OCCO3)CC1 ZINC000021505376 171307528 /nfs/dbraw/zinc/30/75/28/171307528.db2.gz KFQPQNUTEPNQRP-UHFFFAOYSA-N 0 0 289.419 4.475 10 0 CIAERN Clc1ccc(CNc2ccc3c(c2)CCC3)cc1 ZINC000021508352 171308832 /nfs/dbraw/zinc/30/88/32/171308832.db2.gz NPKIRBZXAZAOPP-UHFFFAOYSA-N 0 0 257.764 4.441 10 0 CIAERN Cc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1O ZINC000021511021 171310137 /nfs/dbraw/zinc/31/01/37/171310137.db2.gz IEGPTUPWKDQEBA-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1ccc(Br)cc1F ZINC000021518075 171314279 /nfs/dbraw/zinc/31/42/79/171314279.db2.gz OMRHNQCAVFTHPX-BDAKNGLRSA-N 0 0 274.177 4.435 10 0 CIAERN CCN(c1ccccc1C)c1ccc(Cl)cc1N ZINC000021518528 171314695 /nfs/dbraw/zinc/31/46/95/171314695.db2.gz USMFCONHXSGAKP-UHFFFAOYSA-N 0 0 260.768 4.389 10 0 CIAERN Nc1cc(Cl)ccc1Oc1ccc(Br)cc1 ZINC000021518966 171315087 /nfs/dbraw/zinc/31/50/87/171315087.db2.gz DNGJNZDBUMFALQ-UHFFFAOYSA-N 0 0 298.567 4.477 10 0 CIAERN Cc1cc(Cl)cc(C)c1Oc1ccccc1C(N)=S ZINC000021521035 171315866 /nfs/dbraw/zinc/31/58/66/171315866.db2.gz DLKGZMWQVPNQRZ-UHFFFAOYSA-N 0 0 291.803 4.383 10 0 CIAERN C[C@H](Nc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000021520854 171316178 /nfs/dbraw/zinc/31/61/78/171316178.db2.gz XPYXAEFRDBDCSG-ORVZXPRGSA-N 0 0 256.393 4.098 10 0 CIAERN CCN(c1ccccc1)c1ccc(F)cc1C(C)=O ZINC000021790401 171323954 /nfs/dbraw/zinc/32/39/54/171323954.db2.gz UUYXYZADFFDSKP-UHFFFAOYSA-N 0 0 257.308 4.186 10 0 CIAERN COc1cc(OC)c(N[C@H]2CCC[C@H](C)C2)cc1Cl ZINC000021790247 171324017 /nfs/dbraw/zinc/32/40/17/171324017.db2.gz FGSSMLDXVQUOFA-QWRGUYRKSA-N 0 0 283.799 4.348 10 0 CIAERN C[C@H](CNc1ccc(F)c(F)c1F)c1ccccc1 ZINC000021791487 171324119 /nfs/dbraw/zinc/32/41/19/171324119.db2.gz MKOGLKPYSMKHHD-SNVBAGLBSA-N 0 0 265.278 4.320 10 0 CIAERN Cc1ccc(C(C)C)c(OCc2cccc(C(N)=S)c2)c1 ZINC000021814869 171331842 /nfs/dbraw/zinc/33/18/42/171331842.db2.gz NAUGSLBWEZFZEY-UHFFFAOYSA-N 0 0 299.439 4.332 10 0 CIAERN COc1ccc(Cl)cc1N[C@H]1CCC[C@H](C)C1 ZINC000021815618 171331942 /nfs/dbraw/zinc/33/19/42/171331942.db2.gz ILGBGRNLTBYFNM-JQWIXIFHSA-N 0 0 253.773 4.339 10 0 CIAERN Cc1cc(-c2ccccc2OC(F)(F)F)ccc1N ZINC000021951019 171339769 /nfs/dbraw/zinc/33/97/69/171339769.db2.gz FDAOLYYXFDSVHQ-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN Nc1cc(Cl)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000021961067 171342624 /nfs/dbraw/zinc/34/26/24/171342624.db2.gz JBSHAJBHFMAFEX-UHFFFAOYSA-N 0 0 296.157 4.220 10 0 CIAERN FC(F)(F)c1ccc(-n2ncc3ccccc32)cc1 ZINC000021988160 171345535 /nfs/dbraw/zinc/34/55/35/171345535.db2.gz FUDMGGMWJWXMMF-UHFFFAOYSA-N 0 0 262.234 4.044 10 0 CIAERN Clc1cc2c(Br)c[nH]c2c(Cl)c1 ZINC000021987781 171345695 /nfs/dbraw/zinc/34/56/95/171345695.db2.gz NFLJNLFNPGUFGR-UHFFFAOYSA-N 0 0 264.937 4.237 10 0 CIAERN COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl ZINC000022057028 171350923 /nfs/dbraw/zinc/35/09/23/171350923.db2.gz LPOFCDCHMSXJDK-UHFFFAOYSA-N 0 0 287.167 4.295 10 0 in-vitro CIAERN CCc1cccc2cc([C@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000022053738 171351355 /nfs/dbraw/zinc/35/13/55/171351355.db2.gz AOVBZKJVAYVKSL-CQSZACIVSA-N 0 0 287.359 4.287 10 0 in-vitro CIAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)OC(F)(F)O3)o1 ZINC000022151374 171358471 /nfs/dbraw/zinc/35/84/71/171358471.db2.gz HKMZLFHPDLVKSK-SECBINFHSA-N 0 0 281.258 4.083 10 0 CIAERN CCCc1ccc2ncc(C(=O)OCC)c(Cl)c2c1 ZINC000022153496 171360689 /nfs/dbraw/zinc/36/06/89/171360689.db2.gz QBDPQIWVKZSBKB-UHFFFAOYSA-N 0 0 277.751 4.017 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)Cc2ccc3ccccc3c2)o1 ZINC000023305435 171419414 /nfs/dbraw/zinc/41/94/14/171419414.db2.gz UGFYBUQGRYQFBW-AWEZNQCLSA-N 0 0 293.366 4.161 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1cnc2ccccc2n1 ZINC000026140536 171472766 /nfs/dbraw/zinc/47/27/66/171472766.db2.gz QUIWNEQTXSSAMJ-ZDUSSCGKSA-N 0 0 263.344 4.111 10 0 CIAERN Cc1nn2cc(-c3ccccc3)nc2cc1Cc1ccccc1 ZINC000026267748 171477562 /nfs/dbraw/zinc/47/75/62/171477562.db2.gz LRVFLTQAJUEQIM-UHFFFAOYSA-N 0 0 299.377 4.296 10 0 CIAERN CC(=O)Nc1c(Cc2ccccc2)ccc2ccccc21 ZINC000027194991 171510065 /nfs/dbraw/zinc/51/00/65/171510065.db2.gz OLWJOZSFPALVTA-UHFFFAOYSA-N 0 0 275.351 4.389 10 0 CIAERN C[C@H]1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1 ZINC000027987189 171541650 /nfs/dbraw/zinc/54/16/50/171541650.db2.gz AUVLKOXRHKUGIS-QMMMGPOBSA-N 0 0 269.266 4.191 10 0 CIAERN CCc1ccc(SC)c(C(=O)c2ccccc2)c1 ZINC000028762150 171573175 /nfs/dbraw/zinc/57/31/75/171573175.db2.gz LWYXRQGKXYSBOC-UHFFFAOYSA-N 0 0 256.370 4.202 10 0 CIAERN CC(C)c1ccc(-c2nn(C(C)(C)C)cc2C=O)cc1 ZINC000031885651 171652896 /nfs/dbraw/zinc/65/28/96/171652896.db2.gz VASLDPNRRSOKKK-UHFFFAOYSA-N 0 0 270.376 4.241 10 0 CIAERN CCC(=O)c1ccc(-c2cc(C)ccc2OC)cc1 ZINC000032108266 171700132 /nfs/dbraw/zinc/70/01/32/171700132.db2.gz YFHWOGVIABSWCB-UHFFFAOYSA-N 0 0 254.329 4.263 10 0 CIAERN O[C@@H](CNc1ccccc1Cl)c1ccccc1Cl ZINC000032128191 171713739 /nfs/dbraw/zinc/71/37/39/171713739.db2.gz UJMVATHHBZRSDP-AWEZNQCLSA-N 0 0 282.170 4.139 10 0 CIAERN CCCC[C@H](CC)C(=O)Nc1cc(C)nn1C1CCCC1 ZINC000032648597 171742594 /nfs/dbraw/zinc/74/25/94/171742594.db2.gz XQUQNUHYFNRBOW-AWEZNQCLSA-N 0 0 291.439 4.462 10 0 CIAERN Oc1ccc(OCc2cccc3ccccc32)cc1 ZINC000034120375 171831899 /nfs/dbraw/zinc/83/18/99/171831899.db2.gz ZHNCJWNHYIFKOS-UHFFFAOYSA-N 0 0 250.297 4.124 10 0 CIAERN Cc1ccc(-c2ccc(C3=NC(C)(C)CO3)cc2)cc1 ZINC000034472584 171841072 /nfs/dbraw/zinc/84/10/72/171841072.db2.gz LYTJWPZPRXOKNY-UHFFFAOYSA-N 0 0 265.356 4.217 10 0 CIAERN COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000034499079 171842275 /nfs/dbraw/zinc/84/22/75/171842275.db2.gz HNSGVPAAXJJOPQ-KBRIMQKVSA-N 0 0 289.419 4.342 10 0 CIAERN Oc1cccc(CNc2cncc(-c3ccccc3)c2)c1 ZINC000034619193 171846362 /nfs/dbraw/zinc/84/63/62/171846362.db2.gz SYWGFARUHUXJFT-UHFFFAOYSA-N 0 0 276.339 4.066 10 0 CIAERN Cc1ccccc1C(=O)Cc1nc2ccccc2s1 ZINC000034940280 171899924 /nfs/dbraw/zinc/89/99/24/171899924.db2.gz GDRKYLHKNSPNAQ-UHFFFAOYSA-N 0 0 267.353 4.030 10 0 CIAERN C[C@@H](Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000035019632 171937852 /nfs/dbraw/zinc/93/78/52/171937852.db2.gz ODAKDQVPNCHTJO-OAHLLOKOSA-N 0 0 266.388 4.460 10 0 CIAERN Fc1cccc(COc2cccc(Br)c2)c1F ZINC000035045217 171948366 /nfs/dbraw/zinc/94/83/66/171948366.db2.gz PWDKRWDTSUVMSC-UHFFFAOYSA-N 0 0 299.114 4.306 10 0 CIAERN CC[C@@H](C)S[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000035046918 171950451 /nfs/dbraw/zinc/95/04/51/171950451.db2.gz LQVUORHCVZULMV-ZJUUUORDSA-N 0 0 256.798 4.443 10 0 CIAERN O=C(COc1ccccc1C(F)(F)F)c1cccs1 ZINC000035048143 171952769 /nfs/dbraw/zinc/95/27/69/171952769.db2.gz JSEVULKJONUDOK-UHFFFAOYSA-N 0 0 286.274 4.029 10 0 CIAERN CSc1cccc(NC(=O)c2c[nH]c3ccccc32)c1 ZINC000035134600 172001437 /nfs/dbraw/zinc/00/14/37/172001437.db2.gz PMRDBKGCQCQCBE-UHFFFAOYSA-N 0 0 282.368 4.142 10 0 CIAERN CCCC(=O)Nc1cccc(-c2cn3cc(C)ccc3n2)c1 ZINC000035156307 172016823 /nfs/dbraw/zinc/01/68/23/172016823.db2.gz WVEHAKNAVGQSEH-UHFFFAOYSA-N 0 0 293.370 4.048 10 0 CIAERN Cc1ccc(OCc2nnsc2Cl)c(C(C)(C)C)c1 ZINC000035163594 172024694 /nfs/dbraw/zinc/02/46/94/172024694.db2.gz BPNJEBHAUJLNOI-UHFFFAOYSA-N 0 0 296.823 4.376 10 0 CIAERN Cc1cc(Cl)cc(C)c1OCc1nnsc1Cl ZINC000035163607 172025059 /nfs/dbraw/zinc/02/50/59/172025059.db2.gz NLVWAMAPRWCMIV-UHFFFAOYSA-N 0 0 289.187 4.041 10 0 CIAERN Cc1ccc(C(=O)COc2ccc3c(c2)CCC3)c(C)c1 ZINC000035181735 172035375 /nfs/dbraw/zinc/03/53/75/172035375.db2.gz SAONKVHXQNKNRE-UHFFFAOYSA-N 0 0 280.367 4.054 10 0 CIAERN O=C(COc1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000035181755 172035379 /nfs/dbraw/zinc/03/53/79/172035379.db2.gz GSBJVOFUIHVITE-UHFFFAOYSA-N 0 0 286.758 4.090 10 0 CIAERN O=C(CSc1ccc2ccccc2c1)c1ccco1 ZINC000035181771 172035460 /nfs/dbraw/zinc/03/54/60/172035460.db2.gz AVYWFLAYUQUNDY-UHFFFAOYSA-N 0 0 268.337 4.408 10 0 CIAERN CC(C)c1ccc(OCC(=O)c2cccs2)cc1 ZINC000035181879 172035736 /nfs/dbraw/zinc/03/57/36/172035736.db2.gz RVPWEKTYISKXOM-UHFFFAOYSA-N 0 0 260.358 4.133 10 0 CIAERN Cc1cc(C)cc(O[C@H](C)C(=O)c2ccc(F)c(F)c2)c1 ZINC000035182385 172036046 /nfs/dbraw/zinc/03/60/46/172036046.db2.gz YQTUMXHHGVYXDG-GFCCVEGCSA-N 0 0 290.309 4.232 10 0 CIAERN CC[C@H](C)S[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000035182612 172036102 /nfs/dbraw/zinc/03/61/02/172036102.db2.gz SIHFHUSMMSAGPU-STQMWFEESA-N 0 0 250.407 4.406 10 0 CIAERN Cc1cc(C)cc(OCC(=O)c2cccc(Cl)c2)c1 ZINC000035182405 172036254 /nfs/dbraw/zinc/03/62/54/172036254.db2.gz ZCDOUOYAMUTAEA-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN CCc1ccc(C(=O)[C@H](C)SCC(C)C)cc1 ZINC000035182963 172036792 /nfs/dbraw/zinc/03/67/92/172036792.db2.gz KLMDGKQCMMWVMY-LBPRGKRZSA-N 0 0 250.407 4.209 10 0 CIAERN CCc1ccc(C(=O)[C@@H](C)SCC(C)C)cc1 ZINC000035182962 172036889 /nfs/dbraw/zinc/03/68/89/172036889.db2.gz KLMDGKQCMMWVMY-GFCCVEGCSA-N 0 0 250.407 4.209 10 0 CIAERN C[C@@H](Oc1cccc(F)c1)C(=O)c1ccc(Cl)cc1 ZINC000035184089 172037416 /nfs/dbraw/zinc/03/74/16/172037416.db2.gz XYWGVRKXKSDFMJ-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C ZINC000035183849 172037600 /nfs/dbraw/zinc/03/76/00/172037600.db2.gz OELIEAOBQXGBSX-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN O=C(COc1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000035184078 172037631 /nfs/dbraw/zinc/03/76/31/172037631.db2.gz DEFJKDGIWQRLNI-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN CC(C)(C)c1cccc(OCC(=O)c2cccs2)c1 ZINC000035184382 172037868 /nfs/dbraw/zinc/03/78/68/172037868.db2.gz ZRYMXKTVBGERJN-UHFFFAOYSA-N 0 0 274.385 4.307 10 0 CIAERN Cc1cc(C)c(C(=O)COc2cccc(C)c2C)c(C)c1 ZINC000035184311 172038012 /nfs/dbraw/zinc/03/80/12/172038012.db2.gz BWECDHRLQHAKBL-UHFFFAOYSA-N 0 0 282.383 4.490 10 0 CIAERN Cc1ccc(C(=O)COc2cccc3ccccc32)cc1 ZINC000035184142 172038026 /nfs/dbraw/zinc/03/80/26/172038026.db2.gz DCEBKWBPKLRFCV-UHFFFAOYSA-N 0 0 276.335 4.410 10 0 CIAERN N[C@@H](c1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000035185280 172038792 /nfs/dbraw/zinc/03/87/92/172038792.db2.gz OFQKYJWIGHKPHL-ZDUSSCGKSA-N 0 0 263.749 4.196 10 0 CIAERN O=Cc1c(OCc2cccs2)ccc2ccccc21 ZINC000035200041 172045117 /nfs/dbraw/zinc/04/51/17/172045117.db2.gz SHJPBRDHMXWOTE-UHFFFAOYSA-N 0 0 268.337 4.293 10 0 CIAERN Cc1cccc(C)c1OCC(=O)c1cc2ccccc2o1 ZINC000035224891 172069236 /nfs/dbraw/zinc/06/92/36/172069236.db2.gz RWDPKDHQHLVLJC-UHFFFAOYSA-N 0 0 280.323 4.311 10 0 CIAERN Cc1cc(Nc2ccc(Br)cc2C)ccc1N ZINC000035277940 172097242 /nfs/dbraw/zinc/09/72/42/172097242.db2.gz KJBHBCPHXWIHIP-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN S=C(Nc1c(Cl)cccc1Cl)NC1CCCC1 ZINC000035279940 172098169 /nfs/dbraw/zinc/09/81/69/172098169.db2.gz PGTRFEHVGNFEHT-UHFFFAOYSA-N 0 0 289.231 4.222 10 0 CIAERN C[C@@H](Nc1cc(Cl)ccc1F)c1ccccn1 ZINC000035284366 172102826 /nfs/dbraw/zinc/10/28/26/172102826.db2.gz OFXLCTMHAJYPTE-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN Cc1ccsc1CNc1cc(Cl)ccc1F ZINC000035284420 172103002 /nfs/dbraw/zinc/10/30/02/172103002.db2.gz KQLRYDRXDJXRHH-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN Cc1ccc(Sc2ccc(N)c3cnccc23)cc1 ZINC000035333285 172131652 /nfs/dbraw/zinc/13/16/52/172131652.db2.gz WXBMKQSRJSEVJQ-UHFFFAOYSA-N 0 0 266.369 4.277 10 0 CIAERN Nc1ccc(Sc2cccs2)c2ncccc12 ZINC000035342336 172134423 /nfs/dbraw/zinc/13/44/23/172134423.db2.gz VFOFYTOSNIUUNX-UHFFFAOYSA-N 0 0 258.371 4.030 10 0 CIAERN Cc1nc2cc(Sc3cccs3)c(N)cc2s1 ZINC000035343085 172135336 /nfs/dbraw/zinc/13/53/36/172135336.db2.gz XAKBRBSTPVFICX-UHFFFAOYSA-N 0 0 278.427 4.400 10 0 CIAERN Cc1nc2cc(Nc3cccc(C)c3)c(N)cc2s1 ZINC000035342658 172135489 /nfs/dbraw/zinc/13/54/89/172135489.db2.gz PAAWLCQUDFZLOK-UHFFFAOYSA-N 0 0 269.373 4.239 10 0 CIAERN Cc1ccsc1C(=O)c1c[nH]c2cc(C)ccc21 ZINC000035369723 172161594 /nfs/dbraw/zinc/16/15/94/172161594.db2.gz KOHXUBFRDNCIPZ-UHFFFAOYSA-N 0 0 255.342 4.077 10 0 CIAERN Cc1cc(C(=O)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000035379338 172162028 /nfs/dbraw/zinc/16/20/28/172162028.db2.gz ZFZSYHRDSYEFMB-UHFFFAOYSA-N 0 0 269.127 4.434 10 0 CIAERN Cc1ccoc1C(=O)c1cc(Cl)sc1Cl ZINC000035379372 172162398 /nfs/dbraw/zinc/16/23/98/172162398.db2.gz UBWBUIPIBXQFFF-UHFFFAOYSA-N 0 0 261.129 4.187 10 0 CIAERN CCN[C@@H](c1ccc(CC(C)C)cc1)C(F)(F)F ZINC000035510521 172242261 /nfs/dbraw/zinc/24/22/61/172242261.db2.gz MGIONRJZFQOMAQ-ZDUSSCGKSA-N 0 0 259.315 4.098 10 0 CIAERN CCN[C@@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035540124 172246513 /nfs/dbraw/zinc/24/65/13/172246513.db2.gz YSONHFRLRXPHRT-HNNXBMFYSA-N 0 0 281.733 4.317 10 0 CIAERN Cc1cccc(OCc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000035551868 172258994 /nfs/dbraw/zinc/25/89/94/172258994.db2.gz XMLCFFYGDHDUAN-UHFFFAOYSA-N 0 0 299.761 4.013 10 0 CIAERN CCN[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000035557959 172263705 /nfs/dbraw/zinc/26/37/05/172263705.db2.gz ZEKXRROSFMNMDB-VIFPVBQESA-N 0 0 272.097 4.206 10 0 CIAERN Cc1cc(C(=O)Nc2ccccc2C)c2cc(F)ccc2n1 ZINC000035565480 172264681 /nfs/dbraw/zinc/26/46/81/172264681.db2.gz IJJOXSZSQFLTRS-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN Clc1ccc([C@@H]2CC(c3ccccc3)=NN2)c(Cl)c1 ZINC000035576616 172272783 /nfs/dbraw/zinc/27/27/83/172272783.db2.gz POSPIIHNVKBIIS-HNNXBMFYSA-N 0 0 291.181 4.432 10 0 CIAERN C[C@H](O)c1ccc(OCc2ccc(Cl)s2)cc1 ZINC000035626337 172305647 /nfs/dbraw/zinc/30/56/47/172305647.db2.gz NFHSMJIBYNSRMZ-VIFPVBQESA-N 0 0 268.765 4.034 10 0 CIAERN C[C@H](O)c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000035627815 172306709 /nfs/dbraw/zinc/30/67/09/172306709.db2.gz FCWQBNUDJBXFKO-JTQLQIEISA-N 0 0 280.726 4.111 10 0 CIAERN Cc1c2cc(C)ccc2oc1[C@@H](N)c1cccs1 ZINC000035630527 172312022 /nfs/dbraw/zinc/31/20/22/172312022.db2.gz HOBRDDASOHJWBQ-AWEZNQCLSA-N 0 0 257.358 4.159 10 0 CIAERN CCN(c1ccccc1C)c1ccc(F)cc1[C@@H](C)O ZINC000035631233 172312963 /nfs/dbraw/zinc/31/29/63/172312963.db2.gz DYYTULKPQAUWPF-CYBMUJFWSA-N 0 0 273.351 4.345 10 0 CIAERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2F)c(C)c1 ZINC000035632090 172314247 /nfs/dbraw/zinc/31/42/47/172314247.db2.gz XESVHQJUAZVKIE-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN CCOc1ccccc1Oc1cccc(F)c1[C@@H](C)O ZINC000035632120 172314264 /nfs/dbraw/zinc/31/42/64/172314264.db2.gz NIMBWUYWAFDKQK-LLVKDONJSA-N 0 0 276.307 4.070 10 0 CIAERN Cc1cc(Oc2ccc([C@H](C)O)cc2)ccc1Cl ZINC000035631909 172314428 /nfs/dbraw/zinc/31/44/28/172314428.db2.gz KOVMHDPUGYJHQI-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN C[C@@H](O)c1ccc(Oc2cccc3cccnc32)c(F)c1 ZINC000035632461 172315042 /nfs/dbraw/zinc/31/50/42/172315042.db2.gz XEIYTTAPZFHEOP-LLVKDONJSA-N 0 0 283.302 4.220 10 0 CIAERN Cc1cc(Oc2ccccc2[C@H](C)O)ccc1Cl ZINC000035650596 172326988 /nfs/dbraw/zinc/32/69/88/172326988.db2.gz QWHWSGJVSRVXLR-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN Cc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)c(N)c1 ZINC000035660880 172338226 /nfs/dbraw/zinc/33/82/26/172338226.db2.gz UJURKYUMUULQHT-UHFFFAOYSA-N 0 0 289.766 4.183 10 0 CIAERN OCc1cc(Cl)cc(Cl)c1OCc1cccs1 ZINC000035662550 172340537 /nfs/dbraw/zinc/34/05/37/172340537.db2.gz QOFOVJDHNRYRLZ-UHFFFAOYSA-N 0 0 289.183 4.126 10 0 CIAERN C[C@H](Nc1nc2cc(F)ccc2s1)c1ccncc1 ZINC000035694011 172362822 /nfs/dbraw/zinc/36/28/22/172362822.db2.gz HWCGENLQCTWJHG-VIFPVBQESA-N 0 0 273.336 4.004 10 0 CIAERN Cc1cccc2nc(-c3ccc(Cl)c(Cl)c3)c(N)n21 ZINC000036222137 172519745 /nfs/dbraw/zinc/51/97/45/172519745.db2.gz HWMKGNGTCPTVEX-UHFFFAOYSA-N 0 0 292.169 4.199 10 0 CIAERN Cc1cc(Br)cc(C)c1NC[C@H]1CCCCO1 ZINC000036230964 172528681 /nfs/dbraw/zinc/52/86/81/172528681.db2.gz SNPQKQLJXQBBSB-CYBMUJFWSA-N 0 0 298.224 4.047 10 0 CIAERN Nc1cc(Cl)cnc1Nc1ccc(Cl)c(Cl)c1 ZINC000036242647 172539735 /nfs/dbraw/zinc/53/97/35/172539735.db2.gz SBOYUFJZUDINNG-UHFFFAOYSA-N 0 0 288.565 4.368 10 0 CIAERN CCC(C)(C)c1ccc(Oc2ncc(N)cc2C)cc1 ZINC000036243227 172540098 /nfs/dbraw/zinc/54/00/98/172540098.db2.gz GPBKIVYEWMIMFA-UHFFFAOYSA-N 0 0 270.376 4.452 10 0 CIAERN CCCCN(CC)c1nc(Cl)nc2sc(C)cc21 ZINC000036276744 172568099 /nfs/dbraw/zinc/56/80/99/172568099.db2.gz MVYSGGJVIIVNJA-UHFFFAOYSA-N 0 0 283.828 4.280 10 0 CIAERN CCCCNc1nc(Cl)nc2sc(CC)cc21 ZINC000036277754 172568871 /nfs/dbraw/zinc/56/88/71/172568871.db2.gz QDYJFHYTPRXOPG-UHFFFAOYSA-N 0 0 269.801 4.119 10 0 CIAERN CN(c1ccc2scnc2c1N)C1CCCCCC1 ZINC000036328022 172612558 /nfs/dbraw/zinc/61/25/58/172612558.db2.gz FJZQTBIISQHSSL-UHFFFAOYSA-N 0 0 275.421 4.038 10 0 CIAERN CCc1ccccc1Oc1cccc(F)c1C(C)=O ZINC000036669483 172647441 /nfs/dbraw/zinc/64/74/41/172647441.db2.gz OUXZDGVQGNKQDX-UHFFFAOYSA-N 0 0 258.292 4.383 10 0 CIAERN CC(=O)c1ccc(Oc2ccc(F)c(F)c2)c(F)c1 ZINC000036750003 172676850 /nfs/dbraw/zinc/67/68/50/172676850.db2.gz NSOHHGOCUPRLBG-UHFFFAOYSA-N 0 0 266.218 4.099 10 0 CIAERN COc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000036766293 172684760 /nfs/dbraw/zinc/68/47/60/172684760.db2.gz XYAUXXFYNNVIPC-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN Cc1cc(-c2nc3ccccc3n2C(C)C)ccc1N ZINC000036895966 172787659 /nfs/dbraw/zinc/78/76/59/172787659.db2.gz AXUABEACJWILKA-UHFFFAOYSA-N 0 0 265.360 4.175 10 0 CIAERN Oc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000036896751 172788607 /nfs/dbraw/zinc/78/86/07/172788607.db2.gz BCRWRJGRPLVRRK-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN COc1cc(OC)c2nc(C(C)C)cc(Cl)c2c1 ZINC000036913072 172799234 /nfs/dbraw/zinc/79/92/34/172799234.db2.gz FQJLRAWWVRVHED-UHFFFAOYSA-N 0 0 265.740 4.029 10 0 CIAERN CCc1ccc2nc(C(F)(F)F)cc(Cl)c2c1 ZINC000036912843 172799549 /nfs/dbraw/zinc/79/95/49/172799549.db2.gz FMHGKWFBRDKGCD-UHFFFAOYSA-N 0 0 259.658 4.469 10 0 CIAERN Cc1nc([C@H](C)N[C@@H](C)c2cc(F)ccc2F)cs1 ZINC000036922034 172804953 /nfs/dbraw/zinc/80/49/53/172804953.db2.gz DERZEAOULPDRDY-IUCAKERBSA-N 0 0 282.359 4.142 10 0 CIAERN Cc1ccc(CNc2cccc3c(O)cccc23)o1 ZINC000037132323 172974875 /nfs/dbraw/zinc/97/48/75/172974875.db2.gz NTRKRCZTZPTENP-UHFFFAOYSA-N 0 0 253.301 4.059 10 0 CIAERN CCOCc1ccccc1NC1[C@H](C)CCC[C@H]1C ZINC000037160077 172995511 /nfs/dbraw/zinc/99/55/11/172995511.db2.gz FURAAQBVQJYCGS-ZIAGYGMSSA-N 0 0 261.409 4.460 10 0 CIAERN Cc1cccc(N[C@@H](C)c2c(C)cc(C)nc2C)c1 ZINC000037185428 173016844 /nfs/dbraw/zinc/01/68/44/173016844.db2.gz AJYUPLCTFUEAOI-HNNXBMFYSA-N 0 0 254.377 4.488 10 0 CIAERN CO[C@H]1CCCC[C@@H]1Nc1cccc2ccccc21 ZINC000037188657 173018557 /nfs/dbraw/zinc/01/85/57/173018557.db2.gz CVSQNROUGOLMFL-IRXDYDNUSA-N 0 0 255.361 4.209 10 0 CIAERN COc1ccc(CSc2ccc(C)cc2N)cc1F ZINC000037193110 173022287 /nfs/dbraw/zinc/02/22/87/173022287.db2.gz NHJSMMGYAOITKZ-UHFFFAOYSA-N 0 0 277.364 4.017 10 0 CIAERN CCOc1ccc(CSc2ccc(F)cc2N)cc1 ZINC000037194755 173023603 /nfs/dbraw/zinc/02/36/03/173023603.db2.gz ZFIOCQDOTRMCLL-UHFFFAOYSA-N 0 0 277.364 4.099 10 0 CIAERN COc1ccc(Cl)cc1CSc1ccc(F)cc1N ZINC000037194864 173023870 /nfs/dbraw/zinc/02/38/70/173023870.db2.gz ABCIESIHVPRGCM-UHFFFAOYSA-N 0 0 297.782 4.362 10 0 CIAERN Nc1cc(F)ccc1SC/C=C/c1ccccc1 ZINC000037195278 173023940 /nfs/dbraw/zinc/02/39/40/173023940.db2.gz WNCYTEWZGKHOHC-QPJJXVBHSA-N 0 0 259.349 4.213 10 0 CIAERN CC(C)c1nn(C)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000037200501 173025562 /nfs/dbraw/zinc/02/55/62/173025562.db2.gz KBTJHHYIRDGPAU-UHFFFAOYSA-N 0 0 298.217 4.462 10 0 CIAERN Nc1cccc(-c2nc3cccc(Cl)c3s2)c1 ZINC000037206015 173027804 /nfs/dbraw/zinc/02/78/04/173027804.db2.gz JBQJKUQAFQJDAV-UHFFFAOYSA-N 0 0 260.749 4.199 10 0 CIAERN Cc1nc2sccn2c1CNc1ccc(Cl)cc1C ZINC000037217113 173035937 /nfs/dbraw/zinc/03/59/37/173035937.db2.gz FQLIUQOTGUCCJH-UHFFFAOYSA-N 0 0 291.807 4.278 10 0 CIAERN Fc1ccc(N[C@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000037250264 173062098 /nfs/dbraw/zinc/06/20/98/173062098.db2.gz ZQGZUKWNZZQMMH-AWEZNQCLSA-N 0 0 275.754 4.449 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000037251472 173064074 /nfs/dbraw/zinc/06/40/74/173064074.db2.gz FTARLMJZRQOLEN-RQJHMYQMSA-N 0 0 279.252 4.373 10 0 CIAERN Fc1ccc(Cl)cc1N[C@@H]1CCc2ccccc2C1 ZINC000037256749 173067468 /nfs/dbraw/zinc/06/74/68/173067468.db2.gz OPCJMMNPDISHGW-CQSZACIVSA-N 0 0 275.754 4.449 10 0 CIAERN CC(C)C[C@@H](C)n1c(=S)[nH]nc1-c1cccs1 ZINC000037265228 173074020 /nfs/dbraw/zinc/07/40/20/173074020.db2.gz WAEJALYTKQJUSD-SECBINFHSA-N 0 0 267.423 4.276 10 0 CIAERN FC(F)Sc1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000037271155 173082319 /nfs/dbraw/zinc/08/23/19/173082319.db2.gz TXURWFSHLRIRCH-TVYUQYBPSA-N 0 0 267.344 4.378 10 0 CIAERN Cc1cc(N(C)C)ccc1N[C@H](C)C1CCCCC1 ZINC000037274175 173086140 /nfs/dbraw/zinc/08/61/40/173086140.db2.gz ITXFHWPUSXBACE-CQSZACIVSA-N 0 0 260.425 4.442 10 0 CIAERN CC(C)c1ccc(SCc2cc(N)ccc2O)cc1 ZINC000037285604 173091562 /nfs/dbraw/zinc/09/15/62/173091562.db2.gz LRUMCNJMEVSVLF-UHFFFAOYSA-N 0 0 273.401 4.390 10 0 CIAERN CCOC(=O)c1cccc(N[C@@H](C)c2cccs2)c1 ZINC000037308143 173110949 /nfs/dbraw/zinc/11/09/49/173110949.db2.gz NDMSJTBJYFTOHX-NSHDSACASA-N 0 0 275.373 4.098 10 0 CIAERN CC[C@H](C[C@@H](C)CC)Nc1ccccc1C(=O)OC ZINC000037308214 173110962 /nfs/dbraw/zinc/11/09/62/173110962.db2.gz FCWSPKPLNNUHQW-QWHCGFSZSA-N 0 0 263.381 4.100 10 0 CIAERN CCCOC(=O)c1ccc(NC[C@@H](C)CCC)cc1 ZINC000037308470 173111165 /nfs/dbraw/zinc/11/11/65/173111165.db2.gz NTSJEYNZOWDFMJ-ZDUSSCGKSA-N 0 0 263.381 4.102 10 0 CIAERN Cc1ncsc1[C@H](C)Nc1cccc(Cl)c1N(C)C ZINC000037315936 173117167 /nfs/dbraw/zinc/11/71/67/173117167.db2.gz ABSIIHDZICHSST-JTQLQIEISA-N 0 0 295.839 4.344 10 0 CIAERN CC[C@@H]1CCCN([C@@H](C)C(=O)c2cccc(Cl)c2)C1 ZINC000037339465 173140280 /nfs/dbraw/zinc/14/02/80/173140280.db2.gz XCOLQCPVFCGRLW-QWHCGFSZSA-N 0 0 279.811 4.033 10 0 CIAERN Cc1cc(C)c(C(=O)CO[C@@H](C)CC(C)C)c(C)c1 ZINC000037345624 173143080 /nfs/dbraw/zinc/14/30/80/173143080.db2.gz DCGFDVPVYJLCKO-HNNXBMFYSA-N 0 0 262.393 4.246 10 0 CIAERN Cc1cc(C)c(C(=O)COC2CCCCC2)c(C)c1 ZINC000037346260 173143176 /nfs/dbraw/zinc/14/31/76/173143176.db2.gz ZAOHEUIXANMIQL-UHFFFAOYSA-N 0 0 260.377 4.144 10 0 CIAERN Nc1n[nH]c(-c2cccs2)c1-c1c(F)cccc1Cl ZINC000037348479 173143723 /nfs/dbraw/zinc/14/37/23/173143723.db2.gz FVLYQCKOMSYKPQ-UHFFFAOYSA-N 0 0 293.754 4.180 10 0 CIAERN C[C@H]1C[C@H]1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037354518 173146924 /nfs/dbraw/zinc/14/69/24/173146924.db2.gz RJHHUEFPZZOENG-BLLLJJGKSA-N 0 0 252.313 4.318 10 0 CIAERN O=C(c1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000037360221 173150001 /nfs/dbraw/zinc/15/00/01/173150001.db2.gz SGURKODYCFJESZ-UHFFFAOYSA-N 0 0 256.732 4.060 10 0 CIAERN Fc1ccc(Cl)cc1NCc1ccc2c(c1)CCO2 ZINC000037363040 173151383 /nfs/dbraw/zinc/15/13/83/173151383.db2.gz JNCDKUWASJRROT-UHFFFAOYSA-N 0 0 277.726 4.026 10 0 CIAERN Cc1cc(N)ccc1Nc1cccc2c1CCCC2 ZINC000037371774 173161051 /nfs/dbraw/zinc/16/10/51/173161051.db2.gz QKVKDZUBMUSSFA-UHFFFAOYSA-N 0 0 252.361 4.200 10 0 CIAERN Fc1ccc(Br)cc1-c1nc2ccccc2[nH]1 ZINC000037387649 173170728 /nfs/dbraw/zinc/17/07/28/173170728.db2.gz FWZMXDJHLREKPC-UHFFFAOYSA-N 0 0 291.123 4.132 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000037409172 173185757 /nfs/dbraw/zinc/18/57/57/173185757.db2.gz DUFONEDPTCJAET-GXSJLCMTSA-N 0 0 276.767 4.466 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccccc2Cl)n1 ZINC000037409194 173185945 /nfs/dbraw/zinc/18/59/45/173185945.db2.gz JDOSVMTZCMIKDV-UHFFFAOYSA-N 0 0 267.159 4.403 10 0 CIAERN Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1N ZINC000037439841 173209770 /nfs/dbraw/zinc/20/97/70/173209770.db2.gz DVSLIFVISXXOEW-UHFFFAOYSA-N 0 0 281.334 4.068 10 0 CIAERN CCn1c(-c2ccccc2O)nc2cccc(Cl)c21 ZINC000037444531 173212179 /nfs/dbraw/zinc/21/21/79/173212179.db2.gz MDBHIKYVAOYONX-UHFFFAOYSA-N 0 0 272.735 4.082 10 0 CIAERN Cc1cc(Cl)c2cc(OCC(F)(F)F)ccc2n1 ZINC000037507584 173242060 /nfs/dbraw/zinc/24/20/60/173242060.db2.gz GCSJRZNDDYWFAO-UHFFFAOYSA-N 0 0 275.657 4.138 10 0 CIAERN Cc1nn(C)c(Cl)c1CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000037515473 173247021 /nfs/dbraw/zinc/24/70/21/173247021.db2.gz QTRZSWXRADBABP-JQWIXIFHSA-N 0 0 284.831 4.113 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@]1(O)c1ccc(F)cc1 ZINC000037529012 173252340 /nfs/dbraw/zinc/25/23/40/173252340.db2.gz ZQEKXHUUANBZJL-ZBFHGGJFSA-N 0 0 250.357 4.250 10 0 CIAERN Cc1ccc([C@@](C)(O)Cc2cccc(Cl)c2)cc1 ZINC000037530497 173252892 /nfs/dbraw/zinc/25/28/92/173252892.db2.gz KHOFWXSNGLXJSC-INIZCTEOSA-N 0 0 260.764 4.099 10 0 CIAERN C[C@](O)(Cc1ccccc1Cl)c1ccccc1Cl ZINC000037530887 173253549 /nfs/dbraw/zinc/25/35/49/173253549.db2.gz XDNRLLMGOXGABU-HNNXBMFYSA-N 0 0 281.182 4.444 10 0 CIAERN Cc1ccc(C[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000037530814 173253585 /nfs/dbraw/zinc/25/35/85/173253585.db2.gz PUTBJYZSPHGNGL-MRXNPFEDSA-N 0 0 260.764 4.099 10 0 CIAERN Cc1ccc(C[C@@H](O)c2ccc(C(C)C)cc2)cc1 ZINC000037532405 173253660 /nfs/dbraw/zinc/25/36/60/173253660.db2.gz LCVCNDIEQLXSGZ-GOSISDBHSA-N 0 0 254.373 4.395 10 0 CIAERN O[C@H](Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000037532800 173253687 /nfs/dbraw/zinc/25/36/87/173253687.db2.gz XWWYVKNPGWKBRW-CQSZACIVSA-N 0 0 285.145 4.409 10 0 CIAERN CCc1ccc([C@H](O)Cc2ccccc2Cl)cc1 ZINC000037532640 173253707 /nfs/dbraw/zinc/25/37/07/173253707.db2.gz ODAGSSRBDUOZBN-MRXNPFEDSA-N 0 0 260.764 4.179 10 0 CIAERN CC(C)c1ccc([C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000037532399 173253974 /nfs/dbraw/zinc/25/39/74/173253974.db2.gz PKJNRSMPCNTGJT-KRWDZBQOSA-N 0 0 258.336 4.225 10 0 CIAERN O[C@@H](CCc1ccccc1)c1cccc(Br)c1 ZINC000037532705 173254021 /nfs/dbraw/zinc/25/40/21/173254021.db2.gz MOVKRUUKWKZHRW-HNNXBMFYSA-N 0 0 291.188 4.115 10 0 CIAERN Cc1ccccc1C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000037532417 173254073 /nfs/dbraw/zinc/25/40/73/173254073.db2.gz CLXDGCZABRPPIM-GOSISDBHSA-N 0 0 254.373 4.395 10 0 CIAERN Cc1cccc(C[C@H](O)c2ccc(C(C)C)cc2)c1 ZINC000037532414 173254083 /nfs/dbraw/zinc/25/40/83/173254083.db2.gz PUOCONZAHZJILU-SFHVURJKSA-N 0 0 254.373 4.395 10 0 CIAERN CN(c1ccccc1)c1ccc(N)cc1C(F)(F)F ZINC000037754354 173677909 /nfs/dbraw/zinc/67/79/09/173677909.db2.gz PQOQLVKQIAVQPB-UHFFFAOYSA-N 0 0 266.266 4.056 10 0 CIAERN Cc1ccc(CNc2ccc(Cl)c3cccnc23)o1 ZINC000037767321 173696547 /nfs/dbraw/zinc/69/65/47/173696547.db2.gz DCVVWWVXGLCXAQ-UHFFFAOYSA-N 0 0 272.735 4.402 10 0 CIAERN C[C@@H](Nc1ccc2nccnc2c1)C1CCCCC1 ZINC000037773132 173705655 /nfs/dbraw/zinc/70/56/55/173705655.db2.gz ICXFQNZVCHXHSP-GFCCVEGCSA-N 0 0 255.365 4.011 10 0 CIAERN CCOc1ccc(N[C@H](C)CC(C)(C)OC)cc1Cl ZINC000037773480 173705790 /nfs/dbraw/zinc/70/57/90/173705790.db2.gz INBZPZRZYUHWSF-LLVKDONJSA-N 0 0 285.815 4.354 10 0 CIAERN CCC(CC)Nc1cc(Cl)ccc1-n1cccn1 ZINC000037774412 173706765 /nfs/dbraw/zinc/70/67/65/173706765.db2.gz AZHAYVIDRCLORI-UHFFFAOYSA-N 0 0 263.772 4.126 10 0 CIAERN Clc1cccc(NCc2cccs2)c1-n1cccn1 ZINC000037774925 173706993 /nfs/dbraw/zinc/70/69/93/173706993.db2.gz XMSOZYKBRRLHMZ-UHFFFAOYSA-N 0 0 289.791 4.199 10 0 CIAERN CCCCC[C@H](C)Nc1cccc(OCCOC)c1 ZINC000037777731 173709168 /nfs/dbraw/zinc/70/91/68/173709168.db2.gz QOORREIRFIRVNQ-AWEZNQCLSA-N 0 0 265.397 4.093 10 0 CIAERN CCCCC[C@@H](C)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000037778931 173709796 /nfs/dbraw/zinc/70/97/96/173709796.db2.gz WYOQNHQCQVVFFS-LLVKDONJSA-N 0 0 282.815 4.080 10 0 CIAERN CCOc1cccc(N[C@H](C)c2scnc2C)c1 ZINC000037780435 173710786 /nfs/dbraw/zinc/71/07/86/173710786.db2.gz OXPKRDZRUIVLQD-LLVKDONJSA-N 0 0 262.378 4.023 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1ccc(N2CCCC2)c(F)c1 ZINC000037781135 173711606 /nfs/dbraw/zinc/71/16/06/173711606.db2.gz BKXAMQPDQQIDDL-OLZOCXBDSA-N 0 0 264.388 4.272 10 0 CIAERN Cc1cc(C)c([C@H]([NH2+]C2CCCCCC2)C(=O)[O-])c(C)c1 ZINC000037972428 173925596 /nfs/dbraw/zinc/92/55/96/173925596.db2.gz BGDHMTDGVSVNFC-KRWDZBQOSA-N 0 0 289.419 4.050 10 0 CIAERN C[C@H]1CCc2ccccc2N1c1c(F)cc(N)cc1F ZINC000038039837 174039575 /nfs/dbraw/zinc/03/95/75/174039575.db2.gz SXYMLBOUUQKGGL-JTQLQIEISA-N 0 0 274.314 4.020 10 0 CIAERN COc1cc(Cl)c(C)cc1Nc1c(F)cc(N)cc1F ZINC000038039958 174039672 /nfs/dbraw/zinc/03/96/72/174039672.db2.gz OWGQETKLBKYFIF-UHFFFAOYSA-N 0 0 298.720 4.261 10 0 CIAERN Cc1cccc2oc(-c3cccc4c3CCCN4)nc21 ZINC000038052701 174064005 /nfs/dbraw/zinc/06/40/05/174064005.db2.gz OUDSQEPYKJBBTL-UHFFFAOYSA-N 0 0 264.328 4.161 10 0 CIAERN Cc1cccc2oc(CCNc3ccccc3C)nc21 ZINC000038052697 174064191 /nfs/dbraw/zinc/06/41/91/174064191.db2.gz GJIGTICGTATWKY-UHFFFAOYSA-N 0 0 266.344 4.099 10 0 CIAERN Cc1cccc2oc(CCCNc3ccccc3)nc21 ZINC000038052700 174064216 /nfs/dbraw/zinc/06/42/16/174064216.db2.gz FMBZABSISPYRPF-UHFFFAOYSA-N 0 0 266.344 4.181 10 0 CIAERN COc1ccc(Cl)cc1-c1ccccc1C(C)=O ZINC000038069673 174081084 /nfs/dbraw/zinc/08/10/84/174081084.db2.gz OKOJOSQQSFPTFM-UHFFFAOYSA-N 0 0 260.720 4.218 10 0 CIAERN CCC(=O)c1cccc(-c2c(F)cc(F)cc2F)c1 ZINC000038071802 174082921 /nfs/dbraw/zinc/08/29/21/174082921.db2.gz DCMZRVJXGFDWBU-UHFFFAOYSA-N 0 0 264.246 4.364 10 0 CIAERN Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)nn1 ZINC000038082215 174091189 /nfs/dbraw/zinc/09/11/89/174091189.db2.gz DMBZSETWHFBIJS-UHFFFAOYSA-N 0 0 269.131 4.193 10 0 CIAERN Cc1ccc(C(C)C)c(Oc2cncc(Cl)n2)c1 ZINC000038082260 174091263 /nfs/dbraw/zinc/09/12/63/174091263.db2.gz TWEJSUMZXPLALQ-UHFFFAOYSA-N 0 0 262.740 4.354 10 0 CIAERN Clc1ccc(-c2nc(Cl)c3c(n2)CCCC3)cc1 ZINC000038352319 174141043 /nfs/dbraw/zinc/14/10/43/174141043.db2.gz GZIUJOOLOPRYRY-UHFFFAOYSA-N 0 0 279.170 4.329 10 0 CIAERN C=Cc1ccccc1C(=O)Nc1c(C)cccc1C ZINC000039073131 174162549 /nfs/dbraw/zinc/16/25/49/174162549.db2.gz AWFYOTNBMLLPFC-UHFFFAOYSA-N 0 0 251.329 4.199 10 0 CIAERN O=C(c1ccc(Cl)cc1)c1nccc2ccccc21 ZINC000039189676 174165113 /nfs/dbraw/zinc/16/51/13/174165113.db2.gz UHHKVRFPRODLDQ-UHFFFAOYSA-N 0 0 267.715 4.119 10 0 CIAERN O=C(OC1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000039220523 174166479 /nfs/dbraw/zinc/16/64/79/174166479.db2.gz QQGCSDMSNZQUEU-UHFFFAOYSA-N 0 0 296.366 4.365 10 0 CIAERN Clc1cccc(Cl)c1-c1nc2ncccc2o1 ZINC000039233184 174166711 /nfs/dbraw/zinc/16/67/11/174166711.db2.gz JEVXZZNHXJRNBH-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN O[C@@H](c1nc2ccccc2s1)c1ccccc1Cl ZINC000039614594 174170878 /nfs/dbraw/zinc/17/08/78/174170878.db2.gz NBVLNGFJNYOSMY-CYBMUJFWSA-N 0 0 275.760 4.031 10 0 CIAERN COC(=O)c1ccc(C2CCCCC2)c(Br)c1 ZINC000039951931 174176927 /nfs/dbraw/zinc/17/69/27/174176927.db2.gz XGXNPFGTJDHREQ-UHFFFAOYSA-N 0 0 297.192 4.283 10 0 CIAERN Fc1ccccc1Nc1ccnc2c(F)cccc12 ZINC000039963720 174179926 /nfs/dbraw/zinc/17/99/26/174179926.db2.gz XSEGNILRQCAVRI-UHFFFAOYSA-N 0 0 256.255 4.257 10 0 CIAERN CCCCNC(=O)c1ccc(Oc2ccc(C)cc2)cc1 ZINC000040179095 174203077 /nfs/dbraw/zinc/20/30/77/174203077.db2.gz JJTQEZIXKJMEGZ-UHFFFAOYSA-N 0 0 283.371 4.317 10 0 CIAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)NCc1ccco1 ZINC000040178766 174203275 /nfs/dbraw/zinc/20/32/75/174203275.db2.gz ULNLRSPIYQABKZ-UHFFFAOYSA-N 0 0 295.338 4.086 10 0 CIAERN Cc1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000040224684 174208058 /nfs/dbraw/zinc/20/80/58/174208058.db2.gz ZINOEGDQSTYSRU-UHFFFAOYSA-N 0 0 294.398 4.431 10 0 CIAERN CCc1nc2ccccc2n1CCOc1ccc(CC)cc1 ZINC000040227370 174208896 /nfs/dbraw/zinc/20/88/96/174208896.db2.gz FSNCLGCMDGBCTQ-UHFFFAOYSA-N 0 0 294.398 4.240 10 0 CIAERN CC(C)(C)CC(=O)c1ccc(Br)s1 ZINC000040235968 174211883 /nfs/dbraw/zinc/21/18/83/174211883.db2.gz VDRVZJQWRDPJBU-UHFFFAOYSA-N 0 0 261.184 4.130 10 0 CIAERN Cc1cccc(C(=O)c2ccc(Br)s2)c1 ZINC000040235895 174212085 /nfs/dbraw/zinc/21/20/85/174212085.db2.gz CVEZHNYXGNMXMD-UHFFFAOYSA-N 0 0 281.174 4.050 10 0 CIAERN COc1ccc(Cn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239213 174212126 /nfs/dbraw/zinc/21/21/26/174212126.db2.gz YHZABCRLDDKAAR-UHFFFAOYSA-N 0 0 294.398 4.391 10 0 CIAERN C[C@H](Oc1ccccc1N)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000040352551 174245090 /nfs/dbraw/zinc/24/50/90/174245090.db2.gz ZPDNLZRHCSXPST-ZDUSSCGKSA-N 0 0 297.398 4.217 10 0 CIAERN COCCCn1c2ccccc2nc1C1CCCCC1 ZINC000040389417 174251986 /nfs/dbraw/zinc/25/19/86/174251986.db2.gz XEWALIHIZFVWNO-UHFFFAOYSA-N 0 0 272.392 4.121 10 0 CIAERN c1coc(Cn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040390304 174252120 /nfs/dbraw/zinc/25/21/20/174252120.db2.gz BRYZQINRDWRDBT-UHFFFAOYSA-N 0 0 274.323 4.345 10 0 CIAERN COC(=O)c1ccccc1Nc1cc(C)c2ccccc2n1 ZINC000040400828 174253091 /nfs/dbraw/zinc/25/30/91/174253091.db2.gz BYSQQDITWCVJGK-UHFFFAOYSA-N 0 0 292.338 4.073 10 0 CIAERN CCOCCCn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040403263 174253661 /nfs/dbraw/zinc/25/36/61/174253661.db2.gz VIJGRRLSFPGFRU-UHFFFAOYSA-N 0 0 294.826 4.414 10 0 CIAERN COCCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040404679 174253866 /nfs/dbraw/zinc/25/38/66/174253866.db2.gz IBBZIVGRXSQNKO-UHFFFAOYSA-N 0 0 292.810 4.384 10 0 CIAERN CCc1nc2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417598 174256117 /nfs/dbraw/zinc/25/61/17/174256117.db2.gz QVBFPDDVWQIYDZ-UHFFFAOYSA-N 0 0 270.298 4.274 10 0 CIAERN CCn1c2ccc(C(F)(F)F)cc2nc1C(C)(C)C ZINC000040417134 174256170 /nfs/dbraw/zinc/25/61/70/174256170.db2.gz VHRRAARBYYTLNG-UHFFFAOYSA-N 0 0 270.298 4.373 10 0 CIAERN Clc1cc(Cl)cc(Oc2cc(Cl)ncn2)c1 ZINC000040422484 174258346 /nfs/dbraw/zinc/25/83/46/174258346.db2.gz SVAIQZJHJGHTOM-UHFFFAOYSA-N 0 0 275.522 4.229 10 0 CIAERN CC(C)c1ccc(Nc2ncnc(NC(C)(C)C)c2N)cc1 ZINC000040680412 174374919 /nfs/dbraw/zinc/37/49/19/174374919.db2.gz BQWPWEWEYYVVOG-UHFFFAOYSA-N 0 0 299.422 4.136 10 0 CIAERN CCCCCNC(=O)/C=C/c1ccc(OCCCC)cc1 ZINC000040865813 174426323 /nfs/dbraw/zinc/42/63/23/174426323.db2.gz ZQVYOEOCAUYCSU-JLHYYAGUSA-N 0 0 289.419 4.185 10 0 CIAERN CC(C)Cc1nn2cc(-c3ccccc3Cl)nc2s1 ZINC000040963877 174440491 /nfs/dbraw/zinc/44/04/91/174440491.db2.gz NBTFMSTXWOIVAE-UHFFFAOYSA-N 0 0 291.807 4.310 10 0 CIAERN Cc1sc(-c2ccc(N)cc2)nc1-c1cccs1 ZINC000041202185 174510196 /nfs/dbraw/zinc/51/01/96/174510196.db2.gz MKQFKMRXBJNBGD-UHFFFAOYSA-N 0 0 272.398 4.429 10 0 CIAERN COc1cc(C)c([C@H]2Cc3ccccc3N2)cc1C ZINC000041323565 174520107 /nfs/dbraw/zinc/52/01/07/174520107.db2.gz ODDUIIZZDOTRJF-MRXNPFEDSA-N 0 0 253.345 4.021 10 0 CIAERN Cc1cc(Br)ccc1NCC(C)(C)C ZINC000041326377 174522864 /nfs/dbraw/zinc/52/28/64/174522864.db2.gz SBCQSDTZLZYVOU-UHFFFAOYSA-N 0 0 256.187 4.216 10 0 CIAERN O=C1CCCC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000041327594 174523959 /nfs/dbraw/zinc/52/39/59/174523959.db2.gz YRSJYOQSYNWOIV-SNVBAGLBSA-N 0 0 257.160 4.295 10 0 CIAERN Nc1onc(C2CC2)c1-c1ccc(Cl)c(Cl)c1 ZINC000041389135 174543729 /nfs/dbraw/zinc/54/37/29/174543729.db2.gz NIIMEMNZNNPFAC-UHFFFAOYSA-N 0 0 269.131 4.108 10 0 CIAERN Cc1cccc(C[C@H](CO)Cc2c(F)cccc2Cl)c1 ZINC000041482972 174560212 /nfs/dbraw/zinc/56/02/12/174560212.db2.gz CIOITJNEMYLBDF-AWEZNQCLSA-N 0 0 292.781 4.181 10 0 CIAERN Cc1ccc(C)c(CNc2cccc3ncccc32)c1 ZINC000042313099 174682043 /nfs/dbraw/zinc/68/20/43/174682043.db2.gz GOTYIAZUYAQSJH-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN Cc1ccc(F)c(Nc2ccc(Br)cn2)c1 ZINC000042376598 174703400 /nfs/dbraw/zinc/70/34/00/174703400.db2.gz WGJFOIFHQZXENV-UHFFFAOYSA-N 0 0 281.128 4.035 10 0 CIAERN COc1cccc(Sc2ccc(Br)cn2)c1 ZINC000042389277 174705914 /nfs/dbraw/zinc/70/59/14/174705914.db2.gz SLFZSOWTFDDBEO-UHFFFAOYSA-N 0 0 296.189 4.004 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000042557263 174793836 /nfs/dbraw/zinc/79/38/36/174793836.db2.gz CXESIHRKGKSQDR-WDSKDSINSA-N 0 0 267.241 4.229 10 0 CIAERN CC[C@H](C)[C@H](C)n1c(=S)[nH]nc1-c1ccccc1 ZINC000042557573 174794380 /nfs/dbraw/zinc/79/43/80/174794380.db2.gz YBNATLPSCKHLEU-QWRGUYRKSA-N 0 0 261.394 4.215 10 0 CIAERN Cc1cc(N)ccc1N[C@H](C)c1ccc(Cl)s1 ZINC000042586255 174808266 /nfs/dbraw/zinc/80/82/66/174808266.db2.gz AJVDMZKFDJNRED-SECBINFHSA-N 0 0 266.797 4.465 10 0 CIAERN C[C@@H](Nc1cc(N)cc(F)c1)c1ccc(Cl)s1 ZINC000042586507 174809151 /nfs/dbraw/zinc/80/91/51/174809151.db2.gz NZXSWUWQLMDKFG-SSDOTTSWSA-N 0 0 270.760 4.296 10 0 CIAERN C[C@H](N(C)c1cccc(Cl)c1C=O)C(C)(C)C ZINC000042769996 174870817 /nfs/dbraw/zinc/87/08/17/174870817.db2.gz XWFCNXVNNUDUHC-JTQLQIEISA-N 0 0 253.773 4.023 10 0 CIAERN Cc1cccc(CNc2cccc3ncccc32)c1C ZINC000043304729 175003609 /nfs/dbraw/zinc/00/36/09/175003609.db2.gz WUNKEHKALDRHEI-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN C[C@H]1CCC(=O)[C@@H](Cc2ccc(Br)s2)C1 ZINC000043652068 175085297 /nfs/dbraw/zinc/08/52/97/175085297.db2.gz VYZMOXGHTKDYJY-DTWKUNHWSA-N 0 0 287.222 4.058 10 0 CIAERN CC[C@@H]1CCC(=O)[C@H](Cc2ccc(Cl)s2)C1 ZINC000043653522 175085479 /nfs/dbraw/zinc/08/54/79/175085479.db2.gz KLUDWKAZOQPYNX-ZJUUUORDSA-N 0 0 256.798 4.339 10 0 CIAERN CC(C)(C)[C@@H](O)CCc1ccc(Cl)c(Cl)c1 ZINC000043657569 175085697 /nfs/dbraw/zinc/08/56/97/175085697.db2.gz FYRVSCCDKQYDCP-LBPRGKRZSA-N 0 0 261.192 4.333 10 0 CIAERN CC(C)(C)[C@H](O)CCc1ccc(C(F)(F)F)cc1 ZINC000043657666 175085880 /nfs/dbraw/zinc/08/58/80/175085880.db2.gz BTOOGQRPTLDULK-GFCCVEGCSA-N 0 0 260.299 4.045 10 0 CIAERN O[C@H](CCc1sccc1Br)c1ccccc1 ZINC000043677446 175088199 /nfs/dbraw/zinc/08/81/99/175088199.db2.gz JNZLRMXPIRXCRD-GFCCVEGCSA-N 0 0 297.217 4.177 10 0 CIAERN C[C@@H]1CCC(=O)[C@H](Cc2sccc2Br)C1 ZINC000043676115 175088533 /nfs/dbraw/zinc/08/85/33/175088533.db2.gz QNWASXSDZQYULU-BDAKNGLRSA-N 0 0 287.222 4.058 10 0 CIAERN C[C@H]1CCC(=O)[C@@H](Cc2sccc2Br)C1 ZINC000043676120 175088572 /nfs/dbraw/zinc/08/85/72/175088572.db2.gz QNWASXSDZQYULU-DTWKUNHWSA-N 0 0 287.222 4.058 10 0 CIAERN Brc1ccc(COCc2ccccc2)s1 ZINC000043679132 175089944 /nfs/dbraw/zinc/08/99/44/175089944.db2.gz RYSVPTGOEKETRO-UHFFFAOYSA-N 0 0 283.190 4.227 10 0 CIAERN CCC(C)(C)OCc1cc(Br)cs1 ZINC000043687614 175094855 /nfs/dbraw/zinc/09/48/55/175094855.db2.gz RRDULIKREFNXGH-UHFFFAOYSA-N 0 0 263.200 4.216 10 0 CIAERN CC(C)(C)C(=O)CCc1cc(Br)cs1 ZINC000043687980 175094913 /nfs/dbraw/zinc/09/49/13/175094913.db2.gz OHDRNSLJSHDAAW-UHFFFAOYSA-N 0 0 275.211 4.058 10 0 CIAERN Brc1csc(COC2CCCCC2)c1 ZINC000043687504 175095063 /nfs/dbraw/zinc/09/50/63/175095063.db2.gz PMQYFBZXGWVNTR-UHFFFAOYSA-N 0 0 275.211 4.360 10 0 CIAERN Cc1cc(C)cc([C@H](O)Cc2ccccc2Cl)c1 ZINC000044266401 175157870 /nfs/dbraw/zinc/15/78/70/175157870.db2.gz SCTRRGOUZYHHCF-MRXNPFEDSA-N 0 0 260.764 4.233 10 0 CIAERN C[C@H](CCc1ccccc1)Nc1ccc(N)cc1Cl ZINC000044482496 175179914 /nfs/dbraw/zinc/17/99/14/175179914.db2.gz OGMPXIDOLYMQTQ-GFCCVEGCSA-N 0 0 274.795 4.355 10 0 CIAERN O=C(Cc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000052944353 175541192 /nfs/dbraw/zinc/54/11/92/175541192.db2.gz RGMDEASTTROWOM-UHFFFAOYSA-N 0 0 271.168 4.480 10 0 CIAERN CCNc1nc(C)cc(Sc2ccc(Cl)cc2)n1 ZINC000058825812 175628987 /nfs/dbraw/zinc/62/89/87/175628987.db2.gz SDADBEMXWIRCLQ-UHFFFAOYSA-N 0 0 279.796 4.021 10 0 CIAERN COC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000059051559 175630720 /nfs/dbraw/zinc/63/07/20/175630720.db2.gz LLVSGQKDNVAAGY-UHFFFAOYSA-N 0 0 285.730 4.275 10 0 CIAERN COC(=O)c1ccc2c(c1)CC[C@H](CCC(C)(C)C)C2 ZINC000575141532 335071963 /nfs/dbraw/zinc/07/19/63/335071963.db2.gz RVLSPJKMVJPJGQ-CYBMUJFWSA-N 0 0 274.404 4.404 10 0 CIAERN CC(=O)N[C@H](C)c1ccc(-c2cccc3cnccc32)cc1 ZINC000065375498 175724632 /nfs/dbraw/zinc/72/46/32/175724632.db2.gz PBSGVYXEDPMCDD-CYBMUJFWSA-N 0 0 290.366 4.099 10 0 CIAERN CSc1ccccc1NC(=O)Oc1ccccc1 ZINC000070236619 175883053 /nfs/dbraw/zinc/88/30/53/175883053.db2.gz PJOHQFNVLYJVJL-UHFFFAOYSA-N 0 0 259.330 4.019 10 0 CIAERN CCCC[C@H](CC)Cn1nc(C)c(Br)c1C ZINC000071085874 176030864 /nfs/dbraw/zinc/03/08/64/176030864.db2.gz LABHSRGMHXYVBZ-LBPRGKRZSA-N 0 0 287.245 4.479 10 0 CIAERN C[C@H](O)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1 ZINC000071167962 176049585 /nfs/dbraw/zinc/04/95/85/176049585.db2.gz HTUCDBOBOLMHMJ-QMMMGPOBSA-N 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OCc1cccc(-c2ccc(F)c3ccccc32)c1 ZINC000071792044 176263259 /nfs/dbraw/zinc/26/32/59/176263259.db2.gz JKDDSZQBOVPKAM-UHFFFAOYSA-N 0 0 252.288 4.138 10 0 CIAERN Cc1ccccc1-c1ccsc1Br ZINC000072191887 176336090 /nfs/dbraw/zinc/33/60/90/176336090.db2.gz AXCYKHZQDILGSE-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN N[C@H](c1c(Cl)cc(Cl)cc1Cl)C(F)(F)F ZINC000072195774 176338180 /nfs/dbraw/zinc/33/81/80/176338180.db2.gz TVFRYSCTNPAJMW-SSDOTTSWSA-N 0 0 278.488 4.209 10 0 CIAERN CCc1nn2c(ncc3c2CCCCC3)c1-c1ccccc1 ZINC000072451586 176404885 /nfs/dbraw/zinc/40/48/85/176404885.db2.gz GKZSHCCRLQNFJP-UHFFFAOYSA-N 0 0 291.398 4.228 10 0 CIAERN Cc1cc2sc(-c3cccc(N)c3)nc2c(C)c1 ZINC000073635411 176479891 /nfs/dbraw/zinc/47/98/91/176479891.db2.gz NZZGGKFTJHBILU-UHFFFAOYSA-N 0 0 254.358 4.162 10 0 CIAERN Cc1cc(Oc2cc(Cl)cc(Cl)c2)ncc1N ZINC000076401674 177017524 /nfs/dbraw/zinc/01/75/24/177017524.db2.gz RTVPPBQMZBLUEB-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN CO[C@@H]1CCC[C@H](Nc2cc3ccccc3c(Cl)n2)C1 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/nfs/dbraw/zinc/29/56/40/261295640.db2.gz NIYDLSOCTYJUFW-SECBINFHSA-N 0 0 250.392 4.038 10 0 CIAERN Cc1ccc(N[C@@H](C)c2cncs2)cc1Br ZINC000163046251 261303365 /nfs/dbraw/zinc/30/33/65/261303365.db2.gz YIZFGGRWCCDEKX-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN Cc1ccc(N[C@@H](C)c2cncs2)c(Cl)c1 ZINC000163059631 261304033 /nfs/dbraw/zinc/30/40/33/261304033.db2.gz WOZJPMDGMSNJSY-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN C[C@@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000163822810 261331267 /nfs/dbraw/zinc/33/12/67/261331267.db2.gz KIZBBTYZIMUBBO-XBFCOCLRSA-N 0 0 299.336 4.027 10 0 CIAERN Cc1cnc(N[C@H](C)c2ccc(Cl)cc2)s1 ZINC000302119273 261347145 /nfs/dbraw/zinc/34/71/45/261347145.db2.gz CXEDJZZPXFYTIZ-SECBINFHSA-N 0 0 252.770 4.278 10 0 CIAERN C[C@@H](Nc1cccc2c1CCCC2)c1cscn1 ZINC000164970824 261362198 /nfs/dbraw/zinc/36/21/98/261362198.db2.gz WKGGMUPPRLHKEK-LLVKDONJSA-N 0 0 258.390 4.195 10 0 CIAERN CCOc1ccc(N[C@H](C)c2cncs2)c(C)c1 ZINC000164942506 261362454 /nfs/dbraw/zinc/36/24/54/261362454.db2.gz PRCVTLSSBHTJAS-LLVKDONJSA-N 0 0 262.378 4.023 10 0 CIAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1cncs1 ZINC000165521560 261372210 /nfs/dbraw/zinc/37/22/10/261372210.db2.gz KCBBODQCKOUAPE-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN CC(C)CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173944678 261551029 /nfs/dbraw/zinc/55/10/29/261551029.db2.gz XCSRVKDYEDYOAX-CYBMUJFWSA-N 0 0 294.464 4.019 10 0 CIAERN CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173957773 261551472 /nfs/dbraw/zinc/55/14/72/261551472.db2.gz VHJMQNLMYYMALP-QWHCGFSZSA-N 0 0 294.464 4.019 10 0 CIAERN C[C@@H](OC(=O)[C@@H](C)c1cccnc1)c1ccccc1Cl ZINC000178640717 261754016 /nfs/dbraw/zinc/75/40/16/261754016.db2.gz PWPPKGXGFBFJKW-NWDGAFQWSA-N 0 0 289.762 4.143 10 0 CIAERN COCCC[C@@H](C)Nc1cc(-c2nc(C)co2)ccc1C ZINC000180035922 261833547 /nfs/dbraw/zinc/83/35/47/261833547.db2.gz LZPDVFFBNGLCJG-CYBMUJFWSA-N 0 0 288.391 4.185 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@H](C)CC)o1 ZINC000188053269 261838038 /nfs/dbraw/zinc/83/80/38/261838038.db2.gz FDDMPVYUZYKHNE-UKRRQHHQSA-N 0 0 277.408 4.332 10 0 CIAERN C[C@@H](c1cccnc1)N(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183549285 261979236 /nfs/dbraw/zinc/97/92/36/261979236.db2.gz VHIHSECOUUBQBG-IJEWVQPXSA-N 0 0 288.435 4.063 10 0 CIAERN Cc1ccc([C@H](C)NCc2ccsc2Cl)o1 ZINC000309792619 262021338 /nfs/dbraw/zinc/02/13/38/262021338.db2.gz PNGDTIXIVQGFPK-VIFPVBQESA-N 0 0 255.770 4.154 10 0 CIAERN C[C@@H]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000185965119 262073417 /nfs/dbraw/zinc/07/34/17/262073417.db2.gz XNUWRBBFXZBRAA-MGPQQGTHSA-N 0 0 292.448 4.023 10 0 CIAERN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)no1 ZINC000093049854 262212881 /nfs/dbraw/zinc/21/28/81/262212881.db2.gz DNEMJDWOYIUQNY-MRVPVSSYSA-N 0 0 298.795 4.004 10 0 CIAERN CCn1nc(C)c([C@H](C)Nc2ccc(F)c(C)c2)c1C ZINC000061116654 262392611 /nfs/dbraw/zinc/39/26/11/262392611.db2.gz JWIGCMMKLPQZDK-NSHDSACASA-N 0 0 275.371 4.140 10 0 CIAERN CC[C@@H](Nc1ncccc1Cl)c1cccs1 ZINC000049531293 263892736 /nfs/dbraw/zinc/89/27/36/263892736.db2.gz SMDBVTBCLJOXON-SNVBAGLBSA-N 0 0 252.770 4.360 10 0 CIAERN Cc1nc(Cl)cc(N[C@H](C)c2ccc(Cl)s2)n1 ZINC000052836689 264122182 /nfs/dbraw/zinc/12/21/82/264122182.db2.gz CIPWUYVLLVHDRN-ZCFIWIBFSA-N 0 0 288.203 4.326 10 0 CIAERN CC(C)c1ccc([C@@H](C)NCc2c(Cl)cnn2C)cc1 ZINC000188988049 264261925 /nfs/dbraw/zinc/26/19/25/264261925.db2.gz WLHLLVXOPKGDCP-GFCCVEGCSA-N 0 0 291.826 4.048 10 0 CIAERN Clc1cc(N[C@H]2CCSc3ccccc32)ccn1 ZINC000129842008 264339719 /nfs/dbraw/zinc/33/97/19/264339719.db2.gz ANIAXYLOVIDVPH-LBPRGKRZSA-N 0 0 276.792 4.384 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccnc(Cl)c2)cc1F ZINC000129877384 264340740 /nfs/dbraw/zinc/34/07/40/264340740.db2.gz IGQGABUBWCIPDS-JTQLQIEISA-N 0 0 264.731 4.356 10 0 CIAERN CC1(C)C[C@@H](NCc2ccc(Cl)o2)c2ccccc2O1 ZINC000344668685 265065886 /nfs/dbraw/zinc/06/58/86/265065886.db2.gz XAPFSVFNZAVFQT-CYBMUJFWSA-N 0 0 291.778 4.325 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000094195806 265223364 /nfs/dbraw/zinc/22/33/64/265223364.db2.gz AIIBCJLWRIRMMF-NSHDSACASA-N 0 0 291.753 4.279 10 0 CIAERN Cc1ccc([C@H](C)NCc2ccncc2Cl)cc1F ZINC000094955421 265279259 /nfs/dbraw/zinc/27/92/59/265279259.db2.gz NHLPFKBWNYEIOP-NSHDSACASA-N 0 0 278.758 4.033 10 0 CIAERN O=C(c1ccc2ccccc2c1)N1CCC[C@@H]1c1ccco1 ZINC000116043773 267121108 /nfs/dbraw/zinc/12/11/08/267121108.db2.gz PJRRDANJRIHWRL-QGZVFWFLSA-N 0 0 291.350 4.410 10 0 CIAERN c1coc([C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 ZINC000116297263 267137587 /nfs/dbraw/zinc/13/75/87/267137587.db2.gz HWDCRVQQPMLZQC-HNNXBMFYSA-N 0 0 294.354 4.272 10 0 CIAERN Cc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116478031 267152793 /nfs/dbraw/zinc/15/27/93/267152793.db2.gz WEFKHOMQUXHQAW-AWEZNQCLSA-N 0 0 288.322 4.096 10 0 CIAERN Cc1c(CSC(C)C)cccc1NC(=O)N[C@H]1C[C@H]1C ZINC000173872743 327632730 /nfs/dbraw/zinc/63/27/30/327632730.db2.gz IAOJHLVDSXSFKM-ABAIWWIYSA-N 0 0 292.448 4.167 10 0 CIAERN C[C@H](Nc1ccc(F)cn1)c1cccc(Br)c1 ZINC000041075049 328026262 /nfs/dbraw/zinc/02/62/62/328026262.db2.gz KQRSEGOSZSRFST-VIFPVBQESA-N 0 0 295.155 4.156 10 0 CIAERN CC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(C)C ZINC000049091694 328336508 /nfs/dbraw/zinc/33/65/08/328336508.db2.gz BRCBHNNLSHYUAD-MRXNPFEDSA-N 0 0 286.419 4.041 10 0 CIAERN CC(C)[C@@H](C)NC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000112739873 328447538 /nfs/dbraw/zinc/44/75/38/328447538.db2.gz RCKIQRSYXLXPOK-GDBMZVCRSA-N 0 0 276.424 4.070 10 0 CIAERN Cc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2F)o1 ZINC000036921974 326831133 /nfs/dbraw/zinc/83/11/33/326831133.db2.gz HZHMHTXSKVMNBG-QWRGUYRKSA-N 0 0 265.303 4.278 10 0 CIAERN CCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000109707539 326864568 /nfs/dbraw/zinc/86/45/68/326864568.db2.gz HFBYWSUIRWCZJA-RYUDHWBXSA-N 0 0 267.800 4.344 10 0 CIAERN CCC[C@@H](C)CC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000109731154 326866102 /nfs/dbraw/zinc/86/61/02/326866102.db2.gz NUOOAWCOIAMLRV-IAQYHMDHSA-N 0 0 279.811 4.270 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C/C=C\c2ccc(F)cc2)o1 ZINC000255062544 326921365 /nfs/dbraw/zinc/92/13/65/326921365.db2.gz LAWAXIRUHUMNKT-SCOBNMCVSA-N 0 0 287.334 4.008 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C/C=C\c2ccc(C)cc2)o1 ZINC000255068883 326921611 /nfs/dbraw/zinc/92/16/11/326921611.db2.gz CZOOCTSXFYSYKX-XVWMLYKFSA-N 0 0 283.371 4.177 10 0 CIAERN C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccs1 ZINC000255848083 327020953 /nfs/dbraw/zinc/02/09/53/327020953.db2.gz TWEBBOUMRFXHKY-QQHVMHFCSA-N 0 0 289.375 4.168 10 0 CIAERN CCCCCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000042238936 328766509 /nfs/dbraw/zinc/76/65/09/328766509.db2.gz QDSBZGDEHHMATD-NSHDSACASA-N 0 0 298.224 4.207 10 0 CIAERN Cc1nc([C@H](C)NC(=O)c2ccc(C(C)C)cc2)cs1 ZINC000170497138 329068577 /nfs/dbraw/zinc/06/85/77/329068577.db2.gz JPIMQYPWSJXDDI-NSHDSACASA-N 0 0 288.416 4.066 10 0 CIAERN C[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1cccs1 ZINC000171398623 329073977 /nfs/dbraw/zinc/07/39/77/329073977.db2.gz UMLLEUFNYGNRDS-SNVBAGLBSA-N 0 0 285.372 4.112 10 0 CIAERN Cc1ccc2cccc(C(=O)N[C@@H](C)c3cccs3)c2n1 ZINC000172706627 329138046 /nfs/dbraw/zinc/13/80/46/329138046.db2.gz ACMPLXHGZRIZSV-LBPRGKRZSA-N 0 0 296.395 4.096 10 0 CIAERN O=C(C1CCCCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000172855922 329139468 /nfs/dbraw/zinc/13/94/68/329139468.db2.gz GNICCVDGKXDAOB-OAHLLOKOSA-N 0 0 275.392 4.304 10 0 CIAERN CCCCC[C@@H](C)CC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000173444336 329146983 /nfs/dbraw/zinc/14/69/83/329146983.db2.gz WKENBCDSQJQUTP-ZBFHGGJFSA-N 0 0 291.439 4.070 10 0 CIAERN O=C(CCCC1CCCC1)N1CCC[C@@H]1c1ccco1 ZINC000173509503 329148518 /nfs/dbraw/zinc/14/85/18/329148518.db2.gz JXUISUFUPRDXMG-OAHLLOKOSA-N 0 0 275.392 4.304 10 0 CIAERN CC(C)n1ccnc1CSCCCOc1ccccc1 ZINC000175278394 329167362 /nfs/dbraw/zinc/16/73/62/329167362.db2.gz CTSGCSAQUHXNCD-UHFFFAOYSA-N 0 0 290.432 4.166 10 0 CIAERN Cc1ccc(/C=C/CC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000176646997 329177662 /nfs/dbraw/zinc/17/76/62/329177662.db2.gz SSCHRLIFYBYFLU-RTZWDOBSSA-N 0 0 295.382 4.355 10 0 CIAERN CC1(C)CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000178927315 329203097 /nfs/dbraw/zinc/20/30/97/329203097.db2.gz PRQXEXLNIQAIPA-ZIAGYGMSSA-N 0 0 275.392 4.160 10 0 CIAERN Cc1cnc([C@@H](C)NCc2ccc(Cl)cc2Cl)o1 ZINC000220882311 329204712 /nfs/dbraw/zinc/20/47/12/329204712.db2.gz YAZJFOKQFOSJRX-SECBINFHSA-N 0 0 285.174 4.141 10 0 CIAERN CC[C@H](NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1)c1ccncc1 ZINC000180257886 329219131 /nfs/dbraw/zinc/21/91/31/329219131.db2.gz MQRLMXFYPBCWHR-BPUTZDHNSA-N 0 0 288.435 4.111 10 0 CIAERN Cc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000181972337 329238635 /nfs/dbraw/zinc/23/86/35/329238635.db2.gz WWGIRPQCZTYLEO-NVXWUHKLSA-N 0 0 297.398 4.130 10 0 CIAERN CC[C@H]([NH2+]C[C@@H](C)OC)c1ccc(Cl)c(Cl)c1 ZINC000223865188 329240890 /nfs/dbraw/zinc/24/08/90/329240890.db2.gz HVWUQAMKCZKIEC-RNCFNFMXSA-N 0 0 276.207 4.069 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2c(C)oc3ccccc32)o1 ZINC000184944753 329265903 /nfs/dbraw/zinc/26/59/03/329265903.db2.gz UQEOEFLCTKGAQJ-LLVKDONJSA-N 0 0 283.327 4.134 10 0 CIAERN Cc1cnc([C@H](C)NCc2ccc(Cl)c(Cl)c2)o1 ZINC000227555941 329327497 /nfs/dbraw/zinc/32/74/97/329327497.db2.gz IBWHJWNXHWUMKG-VIFPVBQESA-N 0 0 285.174 4.141 10 0 CIAERN CCn1ccnc1CSCc1ccc(C(F)F)cc1 ZINC000185635619 329328351 /nfs/dbraw/zinc/32/83/51/329328351.db2.gz SLLZXOKBXPOXEC-UHFFFAOYSA-N 0 0 282.359 4.274 10 0 CIAERN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(Cl)s2)o1 ZINC000230631232 329367834 /nfs/dbraw/zinc/36/78/34/329367834.db2.gz IESFKJJLRGTONC-IUCAKERBSA-N 0 0 270.785 4.110 10 0 CIAERN CC[C@H](CC(=O)N1CCC[C@H]1c1ccco1)C(C)C ZINC000116044149 329544330 /nfs/dbraw/zinc/54/43/30/329544330.db2.gz OPFDNUVPIYRLBR-KGLIPLIRSA-N 0 0 263.381 4.015 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)o1 ZINC000127622972 329601269 /nfs/dbraw/zinc/60/12/69/329601269.db2.gz OAUVHMZUWMVIAT-HNNXBMFYSA-N 0 0 287.359 4.165 10 0 CIAERN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000134155875 329657482 /nfs/dbraw/zinc/65/74/82/329657482.db2.gz GJDCYQXFCRHGLW-CZUORRHYSA-N 0 0 289.419 4.439 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000247469418 329881012 /nfs/dbraw/zinc/88/10/12/329881012.db2.gz RZAOFCNBKJFMBI-IFIJOSMWSA-N 0 0 298.386 4.052 10 0 CIAERN C[C@@H]1CCC[C@H]1CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000249055626 329904148 /nfs/dbraw/zinc/90/41/48/329904148.db2.gz XNUWRBBFXZBRAA-RDBSUJKOSA-N 0 0 292.448 4.023 10 0 CIAERN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCCc2c(N)cccc21 ZINC000261882841 329987811 /nfs/dbraw/zinc/98/78/11/329987811.db2.gz RGRGYFDXUCMGKO-LBPRGKRZSA-N 0 0 299.418 4.068 10 0 CIAERN CCOC[C@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044689436 330331969 /nfs/dbraw/zinc/33/19/69/330331969.db2.gz HGMWGVJMHVLFEU-DTWKUNHWSA-N 0 0 294.197 4.208 10 0 CIAERN CCc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000055274635 330364217 /nfs/dbraw/zinc/36/42/17/330364217.db2.gz VXSUMPGEHBQCBO-ZIAGYGMSSA-N 0 0 299.336 4.100 10 0 CIAERN CC[C@@H](Nc1ccncc1Cl)c1cccs1 ZINC000086833123 330371144 /nfs/dbraw/zinc/37/11/44/330371144.db2.gz ZGRCYISQLGERBY-SNVBAGLBSA-N 0 0 252.770 4.360 10 0 CIAERN CC(C)c1nsc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000087640925 330373874 /nfs/dbraw/zinc/37/38/74/330373874.db2.gz KMGOJJCWDTWKOH-VIFPVBQESA-N 0 0 281.812 4.488 10 0 CIAERN CC(C)c1nsc(N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000087641285 330373895 /nfs/dbraw/zinc/37/38/95/330373895.db2.gz GKHDSOFFXJHPNG-SECBINFHSA-N 0 0 281.812 4.488 10 0 CIAERN COc1cccc(-c2cc(Br)cs2)c1 ZINC000115416465 330381704 /nfs/dbraw/zinc/38/17/04/330381704.db2.gz AILKEFYMCCAZNE-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN O=Cc1sccc1-c1c(F)cccc1Br ZINC000536956843 330383316 /nfs/dbraw/zinc/38/33/16/330383316.db2.gz AMMSCUGPDYZXLM-UHFFFAOYSA-N 0 0 285.137 4.129 10 0 CIAERN Cc1cc([C@@H](C)Nc2cn(C)nc2C(C)C)c(C)s1 ZINC000336810449 330388039 /nfs/dbraw/zinc/38/80/39/330388039.db2.gz ZZEMLYRIMNLBNB-LLVKDONJSA-N 0 0 277.437 4.395 10 0 CIAERN CC(C)N(C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000121296836 330399418 /nfs/dbraw/zinc/39/94/18/330399418.db2.gz YOYDOYNDFMPELN-OAHLLOKOSA-N 0 0 296.414 4.464 10 0 CIAERN Cc1ccc(CNc2ccc(C)c(Br)c2)cn1 ZINC000156301867 330728959 /nfs/dbraw/zinc/72/89/59/330728959.db2.gz PZVOBOLDWHROKD-UHFFFAOYSA-N 0 0 291.192 4.073 10 0 CIAERN COc1cccc(C)c1NC(=O)N[C@@H](C)c1ccccc1C ZINC000195027725 331132618 /nfs/dbraw/zinc/13/26/18/331132618.db2.gz OIKQLLBYZDADEE-AWEZNQCLSA-N 0 0 298.386 4.195 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1ccncc1Br ZINC000163908783 331138725 /nfs/dbraw/zinc/13/87/25/331138725.db2.gz AWFOJNZWQGDSRI-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN CC(C)OCCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000163905277 331138727 /nfs/dbraw/zinc/13/87/27/331138727.db2.gz UJHNMUAMWXRSOG-SECBINFHSA-N 0 0 294.197 4.208 10 0 CIAERN Cc1cc(N2CCCC2)ccc1N[C@H](C)c1cncs1 ZINC000164915308 331305438 /nfs/dbraw/zinc/30/54/38/331305438.db2.gz FBVJVVZPCYXUHF-CYBMUJFWSA-N 0 0 287.432 4.225 10 0 CIAERN CC[C@@H](C)CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000167435043 331308163 /nfs/dbraw/zinc/30/81/63/331308163.db2.gz DOHMQYSNWAXHNP-GHMZBOCLSA-N 0 0 298.224 4.063 10 0 CIAERN C[C@H](NC(=O)N(C)C1CCCC1)c1ccc(Cl)s1 ZINC000172309032 335100563 /nfs/dbraw/zinc/10/05/63/335100563.db2.gz UWFDPAJSKBPMSN-VIFPVBQESA-N 0 0 286.828 4.047 10 0 CIAERN CCc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000252017849 334373235 /nfs/dbraw/zinc/37/32/35/334373235.db2.gz WRCBDDMDQSRKDZ-CYBMUJFWSA-N 0 0 292.382 4.221 10 0 CIAERN CCc1ccc([C@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000252017851 334373277 /nfs/dbraw/zinc/37/32/77/334373277.db2.gz WRCBDDMDQSRKDZ-ZDUSSCGKSA-N 0 0 292.382 4.221 10 0 CIAERN C[C@H](NC(=O)N1CCCC(C)(C)CC1)c1cccs1 ZINC000173422887 332971184 /nfs/dbraw/zinc/97/11/84/332971184.db2.gz GTHKSNNJHIFJJF-LBPRGKRZSA-N 0 0 280.437 4.031 10 0 CIAERN C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)c1cccs1 ZINC000174818659 333007878 /nfs/dbraw/zinc/00/78/78/333007878.db2.gz ITCOTYCYGDCQQU-CYBMUJFWSA-N 0 0 292.448 4.175 10 0 CIAERN COc1ccc(C)cc1CSCc1nccn1C(C)C ZINC000175275962 333019527 /nfs/dbraw/zinc/01/95/27/333019527.db2.gz GDLNJOZIBIABCZ-UHFFFAOYSA-N 0 0 290.432 4.214 10 0 CIAERN Cc1cc(C)c(C(=O)N[C@@H](C)c2cccc(Cl)c2)o1 ZINC000175339109 333021886 /nfs/dbraw/zinc/02/18/86/333021886.db2.gz AIVRMEXDDRTXHG-NSHDSACASA-N 0 0 277.751 4.041 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)C(C)C)o1 ZINC000172669309 335116998 /nfs/dbraw/zinc/11/69/98/335116998.db2.gz GFBNQPVGUYJMJC-UKRRQHHQSA-N 0 0 277.408 4.188 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)C(C)C)o1 ZINC000172669304 335117175 /nfs/dbraw/zinc/11/71/75/335117175.db2.gz GFBNQPVGUYJMJC-ZFWWWQNUSA-N 0 0 277.408 4.188 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)C/C=C/c2cccc(F)c2)o1 ZINC000175979716 333038376 /nfs/dbraw/zinc/03/83/76/333038376.db2.gz QASCVKTZRGWUTC-DIECRNLCSA-N 0 0 287.334 4.008 10 0 CIAERN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000176163510 333039635 /nfs/dbraw/zinc/03/96/35/333039635.db2.gz WZXYWXCWBWUNDT-SNVBAGLBSA-N 0 0 295.741 4.180 10 0 CIAERN CC(C)CC1(C(=O)N[C@H](C)c2cccs2)CCC1 ZINC000176332054 333041145 /nfs/dbraw/zinc/04/11/45/333041145.db2.gz NJLUTXNNHUVGKL-GFCCVEGCSA-N 0 0 265.422 4.142 10 0 CIAERN Cc1cccc2ncnc(Oc3c(F)cccc3F)c12 ZINC000176802829 333047544 /nfs/dbraw/zinc/04/75/44/333047544.db2.gz VDKSXOPWKUBIJB-UHFFFAOYSA-N 0 0 272.254 4.009 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cscc2C)o1 ZINC000176875405 333049603 /nfs/dbraw/zinc/04/96/03/333049603.db2.gz DQLBZBBPIRMMTI-AWEZNQCLSA-N 0 0 289.400 4.325 10 0 CIAERN CCC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccs2)C1 ZINC000177125832 333053980 /nfs/dbraw/zinc/05/39/80/333053980.db2.gz MWVNUPBKUSJCKY-QWHCGFSZSA-N 0 0 280.437 4.031 10 0 CIAERN C[C@@H](NC(=O)c1cccc(Cl)c1F)c1cccs1 ZINC000177932947 333065719 /nfs/dbraw/zinc/06/57/19/333065719.db2.gz SEBPCRMQFKVJKK-MRVPVSSYSA-N 0 0 283.755 4.032 10 0 CIAERN Cc1cc(C(=O)N[C@H](C)c2cccs2)c(Cl)cc1F ZINC000178045812 333067223 /nfs/dbraw/zinc/06/72/23/333067223.db2.gz QVURDLWDKKXIBK-SECBINFHSA-N 0 0 297.782 4.340 10 0 CIAERN C[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000178387478 333071975 /nfs/dbraw/zinc/07/19/75/333071975.db2.gz JIWYSUIXFWPMPN-BDAKNGLRSA-N 0 0 286.202 4.217 10 0 CIAERN CC[C@H](C)CN(CC)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000178424218 333072673 /nfs/dbraw/zinc/07/26/73/333072673.db2.gz JZQZOAYMYCTWDL-RYUDHWBXSA-N 0 0 298.377 4.103 10 0 CIAERN Cc1cc(SC[C@H](O)C(C)(C)C)nc2ccccc12 ZINC000311967036 333075172 /nfs/dbraw/zinc/07/51/72/333075172.db2.gz MKFWQIONUWNHQW-AWEZNQCLSA-N 0 0 275.417 4.042 10 0 CIAERN Cc1cccnc1NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000178838056 333077936 /nfs/dbraw/zinc/07/79/36/333077936.db2.gz YBABOKQGQOCIJR-BLLLJJGKSA-N 0 0 295.386 4.150 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)cc1F ZINC000088233729 333087253 /nfs/dbraw/zinc/08/72/53/333087253.db2.gz DNQMNFGJHNDOTN-LBPRGKRZSA-N 0 0 296.345 4.106 10 0 CIAERN CCCN(CC1CC1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088786006 333092156 /nfs/dbraw/zinc/09/21/56/333092156.db2.gz HVQQLDLDCMZOFP-ZDUSSCGKSA-N 0 0 292.398 4.027 10 0 CIAERN COCCc1ccccc1NC[C@@H](C)c1ccc(OC)cc1 ZINC000188958681 333176718 /nfs/dbraw/zinc/17/67/18/333176718.db2.gz KYHJWFVTLBHAQT-OAHLLOKOSA-N 0 0 299.414 4.100 10 0 CIAERN CCCc1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@@H]1C ZINC000189985227 333201419 /nfs/dbraw/zinc/20/14/19/333201419.db2.gz WPMLZGOHLVFWJW-WFASDCNBSA-N 0 0 274.408 4.292 10 0 CIAERN OCc1cccc(N[C@@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000191943782 333227386 /nfs/dbraw/zinc/22/73/86/333227386.db2.gz KIIVJQHFBPYHNS-ZWKOTPCHSA-N 0 0 285.362 4.066 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccoc2Cl)o1 ZINC000192319444 333234418 /nfs/dbraw/zinc/23/44/18/333234418.db2.gz GJMFLJXNGNQNDI-LBPRGKRZSA-N 0 0 293.750 4.202 10 0 CIAERN Cc1c(Cl)cccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000192557716 333236462 /nfs/dbraw/zinc/23/64/62/333236462.db2.gz DWXKFXNILGMYDW-AWEZNQCLSA-N 0 0 289.762 4.219 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C(CC)CC)o1 ZINC000193089082 333242598 /nfs/dbraw/zinc/24/25/98/333242598.db2.gz OVXDGFASHXKDIP-HNNXBMFYSA-N 0 0 277.408 4.332 10 0 CIAERN Cc1nnc(N[C@H](C)c2ccc(C(C)C)cc2)s1 ZINC000226141043 333251463 /nfs/dbraw/zinc/25/14/63/333251463.db2.gz VVGRJTBAEITDTC-SNVBAGLBSA-N 0 0 261.394 4.143 10 0 CIAERN Cc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)o2)o1 ZINC000193643334 333254635 /nfs/dbraw/zinc/25/46/35/333254635.db2.gz BRSFTEBAOYWFBL-CYBMUJFWSA-N 0 0 282.343 4.094 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2C)o1 ZINC000194261302 333268132 /nfs/dbraw/zinc/26/81/32/333268132.db2.gz XLAIPIQHRQMERZ-LLVKDONJSA-N 0 0 277.751 4.041 10 0 CIAERN CC(C)N(C(=O)c1ccc2cc[nH]c2c1)c1ccc(F)cc1 ZINC000194766821 333277080 /nfs/dbraw/zinc/27/70/80/333277080.db2.gz AIRZLMSBRNVZTQ-UHFFFAOYSA-N 0 0 296.345 4.362 10 0 CIAERN CO[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000227985042 333292149 /nfs/dbraw/zinc/29/21/49/333292149.db2.gz XODKJUWEHSPNHG-LSDHHAIUSA-N 0 0 269.388 4.039 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000228776582 333296854 /nfs/dbraw/zinc/29/68/54/333296854.db2.gz DGEHPFVVFXVGQN-QMMMGPOBSA-N 0 0 287.310 4.038 10 0 CIAERN Cc1ccc([C@H](C)Nc2nccc3occc32)cc1F ZINC000228786661 333296963 /nfs/dbraw/zinc/29/69/63/333296963.db2.gz PODCWEWNXWBXNX-NSHDSACASA-N 0 0 270.307 4.448 10 0 CIAERN CCS[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000230922984 333322621 /nfs/dbraw/zinc/32/26/21/333322621.db2.gz VXCWHEMGQLFIFU-WDEREUQCSA-N 0 0 290.354 4.187 10 0 CIAERN COC[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000234684799 333361583 /nfs/dbraw/zinc/36/15/83/333361583.db2.gz QLLBMMOPZDWDLD-OAHLLOKOSA-N 0 0 261.752 4.140 10 0 CIAERN Cc1ccccc1N[C@H]1CCCc2ccc(O)cc21 ZINC000235789391 333372180 /nfs/dbraw/zinc/37/21/80/333372180.db2.gz PFEYDCISUYJPAJ-KRWDZBQOSA-N 0 0 253.345 4.190 10 0 CIAERN CSCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000128286716 333649325 /nfs/dbraw/zinc/64/93/25/333649325.db2.gz WTDNVPCFAFJURQ-CYBMUJFWSA-N 0 0 287.428 4.160 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cccs2)o1 ZINC000128450858 333673038 /nfs/dbraw/zinc/67/30/38/333673038.db2.gz QLOAADVXMUSHKO-ZDUSSCGKSA-N 0 0 289.400 4.271 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2ccc(F)c(OC)c2)c1 ZINC000128609288 333690645 /nfs/dbraw/zinc/69/06/45/333690645.db2.gz IRRLHYOAKSOHMQ-SNVBAGLBSA-N 0 0 293.313 4.155 10 0 CIAERN Cc1cnccc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000076995740 334092887 /nfs/dbraw/zinc/09/28/87/334092887.db2.gz FQOLWNCTKZOPCF-SJORKVTESA-N 0 0 294.398 4.256 10 0 CIAERN CCc1cnc([C@@H](C)Nc2nc3ccccc3o2)s1 ZINC000134926672 334108642 /nfs/dbraw/zinc/10/86/42/334108642.db2.gz NOKGTTSOBDMTCR-SECBINFHSA-N 0 0 273.361 4.020 10 0 CIAERN CCc1cnc([C@H](C)Nc2nc3ccccc3o2)s1 ZINC000134926690 334108646 /nfs/dbraw/zinc/10/86/46/334108646.db2.gz NOKGTTSOBDMTCR-VIFPVBQESA-N 0 0 273.361 4.020 10 0 CIAERN Cc1cc(F)ccc1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000135336531 334126461 /nfs/dbraw/zinc/12/64/61/334126461.db2.gz AQZLSBCAFFHWCU-SECBINFHSA-N 0 0 297.782 4.340 10 0 CIAERN C[C@H](NC(=O)CC1CCC1)c1ccc2ccccc2c1 ZINC000079295191 334151364 /nfs/dbraw/zinc/15/13/64/334151364.db2.gz WVIGJOHYPXDYRH-ZDUSSCGKSA-N 0 0 267.372 4.207 10 0 CIAERN CCC(=O)Nc1ccc(C)c(N[C@H]2CC[C@@H](CC)C2)c1 ZINC000080431194 334171432 /nfs/dbraw/zinc/17/14/32/334171432.db2.gz ZCBWTKABXCLSAL-KGLIPLIRSA-N 0 0 274.408 4.334 10 0 CIAERN Cc1ccc([C@H](C)NCc2cccc3c2OC(C)(C)C3)o1 ZINC000080507886 334172286 /nfs/dbraw/zinc/17/22/86/334172286.db2.gz SNMOALYEPYIFSR-ZDUSSCGKSA-N 0 0 285.387 4.152 10 0 CIAERN CCc1nc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2C)cs1 ZINC000245598038 334206375 /nfs/dbraw/zinc/20/63/75/334206375.db2.gz DIVKCULNKWQKFL-PEBVRCNWSA-N 0 0 286.444 4.290 10 0 CIAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1C ZINC000245930494 334224577 /nfs/dbraw/zinc/22/45/77/334224577.db2.gz JBWDPKOKALUGHN-NUEKZKHPSA-N 0 0 299.439 4.346 10 0 CIAERN C[C@@H](NC(=O)N1C[C@H](C)CCC[C@@H]1C)c1cccs1 ZINC000247375233 334279868 /nfs/dbraw/zinc/27/98/68/334279868.db2.gz DUHMVLMXDKEELW-FRRDWIJNSA-N 0 0 280.437 4.029 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(CC(C)C)cc2)o1 ZINC000247884628 334291225 /nfs/dbraw/zinc/29/12/25/334291225.db2.gz CUOQEOBMFAWETG-OAHLLOKOSA-N 0 0 299.414 4.206 10 0 CIAERN COc1ccc(C)cc1[C@@H](C)NC(=O)CCC1CCCC1 ZINC000247896301 334291333 /nfs/dbraw/zinc/29/13/33/334291333.db2.gz HLGHDCNREOSMPP-CQSZACIVSA-N 0 0 289.419 4.151 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2CCC[C@H]2C)o1 ZINC000249047080 334325782 /nfs/dbraw/zinc/32/57/82/334325782.db2.gz WBBUZPCFWFBYGR-BMFZPTHFSA-N 0 0 289.419 4.468 10 0 CIAERN CCC[C@@H](C)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249272354 334330664 /nfs/dbraw/zinc/33/06/64/334330664.db2.gz KVUFRAMAXHAUAE-CHWSQXEVSA-N 0 0 296.480 4.003 10 0 CIAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC3(CCC3)C2)cc1 ZINC000157957988 334788153 /nfs/dbraw/zinc/78/81/53/334788153.db2.gz ZEFNVWIIPHHXEN-ZWKOTPCHSA-N 0 0 297.442 4.316 10 0 CIAERN CC(C)c1nn(C)cc1N[C@@H]1CCCc2ccccc21 ZINC000380046209 335303788 /nfs/dbraw/zinc/30/37/88/335303788.db2.gz PCAJSEJHAMFTLO-OAHLLOKOSA-N 0 0 269.392 4.033 10 0 CIAERN CCn1cc([C@@H](C)Nc2cc(C)c(C)c3ncccc23)cn1 ZINC000179983130 335537959 /nfs/dbraw/zinc/53/79/59/335537959.db2.gz MGMBHJSSRCSQBX-CQSZACIVSA-N 0 0 294.402 4.241 10 0 CIAERN Clc1ccsc1CN1CCC[C@H]1c1ccco1 ZINC000194393162 336019498 /nfs/dbraw/zinc/01/94/98/336019498.db2.gz SKCIJGQUHDWJCX-NSHDSACASA-N 0 0 267.781 4.332 10 0 CIAERN CC(C)c1nnc(CS[C@H](C)c2ccccc2F)n1C ZINC000194700873 336037709 /nfs/dbraw/zinc/03/77/09/336037709.db2.gz AWFFCOIWABZAAR-LLVKDONJSA-N 0 0 293.411 4.072 10 0 CIAERN Cc1cc(CN=c2[nH]c3ccc(C)cc3s2)cs1 ZINC000381368250 336060568 /nfs/dbraw/zinc/06/05/68/336060568.db2.gz LVTOQZGPWMXPPK-UHFFFAOYSA-N 0 0 274.414 4.009 10 0 CIAERN CCCC1CCN(c2ccc([C@H](C)O)cc2Cl)CC1 ZINC000061697054 519904252 /nfs/dbraw/zinc/90/42/52/519904252.db2.gz LLSXBRQXDGNWPD-LBPRGKRZSA-N 0 0 281.827 4.410 10 0 CIAERN Cc1c(SCc2ccccc2)cccc1N1CCCC1=O ZINC000097757681 518186080 /nfs/dbraw/zinc/18/60/80/518186080.db2.gz PHDQRWBGPIIVET-UHFFFAOYSA-N 0 0 297.423 4.414 10 0 CIAERN Clc1cccc(Cl)c1CN1CCNc2ccccc21 ZINC000037563275 518194620 /nfs/dbraw/zinc/19/46/20/518194620.db2.gz UPQZJUSPSXIFNS-UHFFFAOYSA-N 0 0 293.197 4.426 10 0 CIAERN CC(=O)c1c(C)nn(Cc2ccc(Cl)c(Cl)c2)c1C ZINC000054715994 518238886 /nfs/dbraw/zinc/23/88/86/518238886.db2.gz DGBAPYMCHAISLK-UHFFFAOYSA-N 0 0 297.185 4.058 10 0 CIAERN CC(=O)c1ccc(Oc2nc(C(C)C)ns2)c(Cl)c1 ZINC000120370572 518399958 /nfs/dbraw/zinc/39/99/58/518399958.db2.gz WKFUVTOQKVTQHH-UHFFFAOYSA-N 0 0 296.779 4.310 10 0 CIAERN CC(=O)c1sc(N(C)c2cc(C)cc(C)c2)nc1C ZINC000054863287 518496522 /nfs/dbraw/zinc/49/65/22/518496522.db2.gz JPRFFQAZWQKSPG-UHFFFAOYSA-N 0 0 274.389 4.039 10 0 CIAERN CC(=O)c1sc(N(C)c2ccc(C)cc2C)nc1C ZINC000054863253 518496582 /nfs/dbraw/zinc/49/65/82/518496582.db2.gz JBUIBZOILCYMRT-UHFFFAOYSA-N 0 0 274.389 4.039 10 0 CIAERN C/C=C/c1ccccc1OCc1ccnc(Cl)c1 ZINC000052725634 518556304 /nfs/dbraw/zinc/55/63/04/518556304.db2.gz BHCYMQHLELJAGM-GORDUTHDSA-N 0 0 259.736 4.347 10 0 CIAERN CC(C)(C)CC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000050518485 518611305 /nfs/dbraw/zinc/61/13/05/518611305.db2.gz DRYGBACNCMPURI-UHFFFAOYSA-N 0 0 258.283 4.253 10 0 CIAERN CC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)s1 ZINC000299888935 518839687 /nfs/dbraw/zinc/83/96/87/518839687.db2.gz ATGUIASESHRJNA-UHFFFAOYSA-N 0 0 268.165 4.402 10 0 CIAERN CSc1ccc(OCc2ccc(Cl)cc2N)cc1 ZINC000104339090 519099458 /nfs/dbraw/zinc/09/94/58/519099458.db2.gz ZLKSKSCIBYKPFE-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN CC(C)(C)c1nc(N2CCCCCCC2)sc1C=O ZINC000054967202 519102968 /nfs/dbraw/zinc/10/29/68/519102968.db2.gz MQMGYIMSSXQFJP-UHFFFAOYSA-N 0 0 280.437 4.024 10 0 CIAERN CC(C)N(CC(F)(F)F)c1ccc([C@H](C)O)cc1Cl ZINC000061696827 519639016 /nfs/dbraw/zinc/63/90/16/519639016.db2.gz JJHBNYUNNOXNAF-VIFPVBQESA-N 0 0 295.732 4.170 10 0 CIAERN CC(C)c1cc(N)nc(-c2cccc(Cl)c2Cl)n1 ZINC000050866999 519832939 /nfs/dbraw/zinc/83/29/39/519832939.db2.gz RHQQCNVIIWRDBM-UHFFFAOYSA-N 0 0 282.174 4.156 10 0 CIAERN CC(C)c1nc2cc(N)ccc2n1C1CCCCC1 ZINC000052842120 519869497 /nfs/dbraw/zinc/86/94/97/519869497.db2.gz FVGMQTLZOZELLJ-UHFFFAOYSA-N 0 0 257.381 4.247 10 0 CIAERN CCCCCC[C@@H](C)Nc1ccc(C(N)=S)cc1 ZINC000049224747 520118300 /nfs/dbraw/zinc/11/83/00/520118300.db2.gz KXCZZGWZQZWBHE-GFCCVEGCSA-N 0 0 264.438 4.092 10 0 CIAERN CCCNc1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000062668194 520127333 /nfs/dbraw/zinc/12/73/33/520127333.db2.gz AUEIDXXPHRXZGM-UHFFFAOYSA-N 0 0 251.333 4.052 10 0 CIAERN CCCCCC[C@H](C)n1c(CCC)n[nH]c1=S ZINC000049219527 520131718 /nfs/dbraw/zinc/13/17/18/520131718.db2.gz FWRDRHBNRCUFJI-NSHDSACASA-N 0 0 255.431 4.425 10 0 CIAERN CCCNc1cc(C(F)F)nc2cc(F)c(F)cc21 ZINC000061629660 520133958 /nfs/dbraw/zinc/13/39/58/520133958.db2.gz RREWYJBIXGOONG-UHFFFAOYSA-N 0 0 272.245 4.273 10 0 CIAERN CCCCC[C@@H](C)Nc1cccc(Cl)c1C(N)=S ZINC000052906116 520289735 /nfs/dbraw/zinc/28/97/35/520289735.db2.gz UYMADLXOOBRWPG-SNVBAGLBSA-N 0 0 284.856 4.355 10 0 CIAERN CCNc1ccc(Cl)c(COC2CCC(C)CC2)n1 ZINC000061640307 520310085 /nfs/dbraw/zinc/31/00/85/520310085.db2.gz SPPPPAFBMTUFGZ-UHFFFAOYSA-N 0 0 282.815 4.262 10 0 CIAERN CCC[C@@H](Nc1cc(C)nc(C)n1)c1cccs1 ZINC000049545859 520795539 /nfs/dbraw/zinc/79/55/39/520795539.db2.gz JQZAGRJOTGTLQA-GFCCVEGCSA-N 0 0 261.394 4.108 10 0 CIAERN CCC[C@@H](Nc1ccc(F)cn1)c1cccs1 ZINC000049545912 520796092 /nfs/dbraw/zinc/79/60/92/520796092.db2.gz JBGAWHUBUCSSQZ-LLVKDONJSA-N 0 0 250.342 4.236 10 0 CIAERN CCC[C@@H](c1cccs1)n1c(C)cc(C=O)c1C ZINC000049545571 520811797 /nfs/dbraw/zinc/81/17/97/520811797.db2.gz UPSILNVKWUSTNO-AWEZNQCLSA-N 0 0 261.390 4.368 10 0 CIAERN CCOC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000052233201 521087777 /nfs/dbraw/zinc/08/77/77/521087777.db2.gz NLIMHDKGWDQVNH-GFCCVEGCSA-N 0 0 274.282 4.008 10 0 CIAERN CCC[C@H](c1cccs1)n1cnc2cc(N)ccc21 ZINC000052853885 521196114 /nfs/dbraw/zinc/19/61/14/521196114.db2.gz LMTXORZMTDCFNF-CQSZACIVSA-N 0 0 271.389 4.070 10 0 CIAERN CCC(C)(C)OCc1ccc(OC)c(Br)c1 ZINC000049601140 521358652 /nfs/dbraw/zinc/35/86/52/521358652.db2.gz NMNXIHZJRYBXIT-UHFFFAOYSA-N 0 0 287.197 4.163 10 0 CIAERN CCCc1ccc([C@](C)(O)c2ccc(C)cc2)cc1 ZINC000055241657 521419308 /nfs/dbraw/zinc/41/93/08/521419308.db2.gz JXEZEBCTIBXPRF-GOSISDBHSA-N 0 0 254.373 4.203 10 0 CIAERN CCN(c1nc(C)c(C(C)=O)s1)c1cccc(C)c1 ZINC000054862603 521504124 /nfs/dbraw/zinc/50/41/24/521504124.db2.gz TZAGINRQCPFOPY-UHFFFAOYSA-N 0 0 274.389 4.121 10 0 CIAERN CCCN(CC(F)(F)F)c1ccc([C@H](C)O)cc1Cl ZINC000061696814 521587514 /nfs/dbraw/zinc/58/75/14/521587514.db2.gz NGNPTIFTSUEDHK-VIFPVBQESA-N 0 0 295.732 4.172 10 0 CIAERN CCc1ccccc1CNc1cc(F)c(F)c(F)c1 ZINC000061099695 521844446 /nfs/dbraw/zinc/84/44/46/521844446.db2.gz MSZBBAGEIDILSJ-UHFFFAOYSA-N 0 0 265.278 4.278 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1ncnc(Cl)c1N ZINC000062364915 522048844 /nfs/dbraw/zinc/04/88/44/522048844.db2.gz QLSGABFFMDZVTG-VIFPVBQESA-N 0 0 277.755 4.018 10 0 CIAERN CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)COC)c(C)c1 ZINC000103388970 522276909 /nfs/dbraw/zinc/27/69/09/522276909.db2.gz UERVRVRZBYLNMS-CHWSQXEVSA-N 0 0 295.448 4.107 10 0 CIAERN CNc1ccc(Cl)c(CSC2CCCCC2)n1 ZINC000061640738 522624458 /nfs/dbraw/zinc/62/44/58/522624458.db2.gz JLDXVXOEQUHCLT-UHFFFAOYSA-N 0 0 270.829 4.343 10 0 CIAERN CNc1nc(-c2ccc(Cl)cc2F)nc2sccc21 ZINC000062786698 522675089 /nfs/dbraw/zinc/67/50/89/522675089.db2.gz RKRPGVSAUOAHLZ-UHFFFAOYSA-N 0 0 293.754 4.193 10 0 CIAERN CC[C@H](Nc1c(C)nn(C(C)C)c1C)c1ccco1 ZINC000054106239 522762446 /nfs/dbraw/zinc/76/24/46/522762446.db2.gz OIAHCZLXKUXDLM-ZDUSSCGKSA-N 0 0 261.369 4.237 10 0 CIAERN CC[C@H]1CCCN(c2ccc([C@@H](C)O)cc2Cl)C1 ZINC000061695491 523094802 /nfs/dbraw/zinc/09/48/02/523094802.db2.gz HREMMRZTWWYBJX-NEPJUHHUSA-N 0 0 267.800 4.020 10 0 CIAERN COCc1ccccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069378364 523126539 /nfs/dbraw/zinc/12/65/39/523126539.db2.gz WFVNWJFZMFNGIF-CHWSQXEVSA-N 0 0 287.325 4.366 10 0 CIAERN COCc1ccccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069378369 523127160 /nfs/dbraw/zinc/12/71/60/523127160.db2.gz WFVNWJFZMFNGIF-OLZOCXBDSA-N 0 0 287.325 4.366 10 0 CIAERN CC[C@@H]1CCCCN1c1ccc([C@@H](C)O)cc1Cl ZINC000061695187 523181504 /nfs/dbraw/zinc/18/15/04/523181504.db2.gz CVTBLRIQDQHWKL-DGCLKSJQSA-N 0 0 267.800 4.162 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(C(N)=S)c(Cl)c1 ZINC000061850403 523207852 /nfs/dbraw/zinc/20/78/52/523207852.db2.gz JXGLCIBOYNKDIQ-YGRLFVJLSA-N 0 0 297.851 4.322 10 0 CIAERN COc1ccc(Br)cc1CCC(=O)C(C)(C)C ZINC000049596723 523495024 /nfs/dbraw/zinc/49/50/24/523495024.db2.gz HGLYQTQHWDCFEV-UHFFFAOYSA-N 0 0 299.208 4.006 10 0 CIAERN CN(c1nnc(Cl)c2ccccc21)C1CCCCC1 ZINC000050529002 523668624 /nfs/dbraw/zinc/66/86/24/523668624.db2.gz HTNVFCJFRAZHQZ-UHFFFAOYSA-N 0 0 275.783 4.052 10 0 CIAERN CCc1cc(NC)nc(-c2cccc(Cl)c2Cl)n1 ZINC000050865058 523819797 /nfs/dbraw/zinc/81/97/97/523819797.db2.gz GJDFWYWZYRETKA-UHFFFAOYSA-N 0 0 282.174 4.055 10 0 CIAERN CC[C@H](C)Cn1c2c(ccc(F)c2F)[nH]c1=S ZINC000054475476 523906379 /nfs/dbraw/zinc/90/63/79/523906379.db2.gz HFPOBTDOLIBXNE-ZETCQYMHSA-N 0 0 256.321 4.023 10 0 CIAERN Cc1ccc(C)c([C@@H](C)Nc2cnn(C(C)C)c2)c1 ZINC000061682371 524203160 /nfs/dbraw/zinc/20/31/60/524203160.db2.gz YTAXJHLBYZVPIJ-CQSZACIVSA-N 0 0 257.381 4.254 10 0 CIAERN C[C@H]1CCC[C@H](SCC(=O)c2ccc(F)cc2)C1 ZINC000054692971 524209558 /nfs/dbraw/zinc/20/95/58/524209558.db2.gz VBDFHJIOHBWXAV-FZMZJTMJSA-N 0 0 266.381 4.320 10 0 CIAERN Cc1ccc(C)c([C@H](O)c2cc3ccccc3o2)c1 ZINC000062797343 524210354 /nfs/dbraw/zinc/21/03/54/524210354.db2.gz QWOXMVLPIRYQBI-KRWDZBQOSA-N 0 0 252.313 4.131 10 0 CIAERN Cc1cc(C)c(C(=O)c2cccc(F)c2F)c(C)c1 ZINC000054188793 524245157 /nfs/dbraw/zinc/24/51/57/524245157.db2.gz PHMKCCVSDUSJEJ-UHFFFAOYSA-N 0 0 260.283 4.121 10 0 CIAERN Cc1cccc(CSCc2nc(N)ccc2Cl)c1 ZINC000061640816 524460590 /nfs/dbraw/zinc/46/05/90/524460590.db2.gz KIDCIPHEVIUAKS-UHFFFAOYSA-N 0 0 278.808 4.059 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@@H](c1cccs1)C(C)C ZINC000049557844 524609961 /nfs/dbraw/zinc/60/99/61/524609961.db2.gz FVESTPJWGOZKJU-OAHLLOKOSA-N 0 0 261.390 4.224 10 0 CIAERN COc1ccc(NCc2ccc(C)cc2C)c(C)c1 ZINC000061565315 524679138 /nfs/dbraw/zinc/67/91/38/524679138.db2.gz DBZLSPULWHPHHV-UHFFFAOYSA-N 0 0 255.361 4.233 10 0 CIAERN Cc1ccc(Cc2nc(-c3ccc(N)cc3)cs2)cc1 ZINC000051753015 524694080 /nfs/dbraw/zinc/69/40/80/524694080.db2.gz ZONAAWVPKCSLRU-UHFFFAOYSA-N 0 0 280.396 4.292 10 0 CIAERN COc1ccccc1Oc1ccc(C(C)=O)cc1Cl ZINC000061695078 524697370 /nfs/dbraw/zinc/69/73/70/524697370.db2.gz AWIDAQPIKVTXTH-UHFFFAOYSA-N 0 0 276.719 4.344 10 0 CIAERN Cc1cc(CNc2cc(Cl)ccc2F)c(C)n1C ZINC000052789834 524786544 /nfs/dbraw/zinc/78/65/44/524786544.db2.gz WWPYUYFPFWWUKP-UHFFFAOYSA-N 0 0 266.747 4.047 10 0 CIAERN Cc1ccc(F)c(C(=O)c2ccc(Cl)s2)c1 ZINC000052981381 524802187 /nfs/dbraw/zinc/80/21/87/524802187.db2.gz LMWPRSNZSFPRHX-UHFFFAOYSA-N 0 0 254.713 4.080 10 0 CIAERN C[C@H]1C[C@@H](OCc2ccnc(Cl)c2)CC(C)(C)C1 ZINC000052725340 524822603 /nfs/dbraw/zinc/82/26/03/524822603.db2.gz GJOQDDBJWSNJSB-WCQYABFASA-N 0 0 267.800 4.466 10 0 CIAERN Cc1cccc([C@H](O)Cc2ccc(F)cc2Cl)c1 ZINC000053784264 524885435 /nfs/dbraw/zinc/88/54/35/524885435.db2.gz HQNKKLMUVKXHQX-OAHLLOKOSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1cc(Cl)nc(C2(c3ccccc3)CCCC2)n1 ZINC000062782483 524916146 /nfs/dbraw/zinc/91/61/46/524916146.db2.gz ACPREGSZXGGGDU-UHFFFAOYSA-N 0 0 272.779 4.299 10 0 CIAERN Cc1ccccc1-c1cnnc(NCCC2=CCCCC2)n1 ZINC000012198529 525005405 /nfs/dbraw/zinc/00/54/05/525005405.db2.gz DPCINEIHIZOVHP-UHFFFAOYSA-N 0 0 294.402 4.149 10 0 CIAERN Cc1ccccc1C(=O)Cc1ccc(F)cc1Cl ZINC000053765460 525042637 /nfs/dbraw/zinc/04/26/37/525042637.db2.gz RYMNHXJHEYOVND-UHFFFAOYSA-N 0 0 262.711 4.213 10 0 CIAERN C[C@](N)(c1nc2cccc(Cl)c2s1)c1ccccc1 ZINC000052879276 525150121 /nfs/dbraw/zinc/15/01/21/525150121.db2.gz BAYMQSSRUATTTE-OAHLLOKOSA-N 0 0 288.803 4.172 10 0 CIAERN C[C@](O)(COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000052098062 525184151 /nfs/dbraw/zinc/18/41/51/525184151.db2.gz LELFGNPCBVAEOO-HNNXBMFYSA-N 0 0 297.181 4.280 10 0 CIAERN Cc1ccccc1N(C)c1ccc([C@@H](C)O)cc1Cl ZINC000061696961 525215650 /nfs/dbraw/zinc/21/56/50/525215650.db2.gz ZADOJZPLLBMHPY-GFCCVEGCSA-N 0 0 275.779 4.470 10 0 CIAERN Cc1cc(N[C@H](C)c2ccc(Cl)cc2)nc(Cl)n1 ZINC000052814656 525300013 /nfs/dbraw/zinc/30/00/13/525300013.db2.gz XFLPYCDXKUODPY-SECBINFHSA-N 0 0 282.174 4.265 10 0 CIAERN Cc1ccc(N[C@@H](C)Cc2ccco2)c(Br)c1 ZINC000062769447 525309294 /nfs/dbraw/zinc/30/92/94/525309294.db2.gz JGIOKRNSGVHUSM-NSHDSACASA-N 0 0 294.192 4.394 10 0 CIAERN Cc1ccc(N[C@H](C)c2ccccc2Cl)cc1N ZINC000061701688 525318008 /nfs/dbraw/zinc/31/80/08/525318008.db2.gz GGEVVHZPVGAKQS-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2C)cc1N ZINC000061700975 525323431 /nfs/dbraw/zinc/32/34/31/525323431.db2.gz LTNZMFXPXSSCKS-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1nc2ccccc2[nH]1 ZINC000042337809 525362657 /nfs/dbraw/zinc/36/26/57/525362657.db2.gz RAKSIUBVAGZXLC-GFCCVEGCSA-N 0 0 251.333 4.044 10 0 CIAERN Cc1cc(OCc2nc(N)ccc2Cl)cc(C)c1Cl ZINC000061640452 525375628 /nfs/dbraw/zinc/37/56/28/525375628.db2.gz OIJCGAQGDCNEGK-UHFFFAOYSA-N 0 0 297.185 4.166 10 0 CIAERN Cc1cc([C@@H](C)Nc2ncnc3ccccc32)c(C)o1 ZINC000044730883 525478854 /nfs/dbraw/zinc/47/88/54/525478854.db2.gz BRPZMKJCBOPHTN-LLVKDONJSA-N 0 0 267.332 4.013 10 0 CIAERN Cc1cc([C@@H](C)n2c(=S)[nH]nc2C(C)C)c(C)s1 ZINC000049509961 525478910 /nfs/dbraw/zinc/47/89/10/525478910.db2.gz LSQFFGXSYGHIAK-SECBINFHSA-N 0 0 281.450 4.352 10 0 CIAERN Cc1cc([C@@H](O)c2cccc(OC(C)C)c2)c(C)s1 ZINC000061666964 525484068 /nfs/dbraw/zinc/48/40/68/525484068.db2.gz OHQKSNKDVGMGOJ-INIZCTEOSA-N 0 0 276.401 4.234 10 0 CIAERN Cc1cccnc1N[C@H](C)c1ccc(Br)cc1 ZINC000051041120 525544934 /nfs/dbraw/zinc/54/49/34/525544934.db2.gz JBCOYDMKSZEOLL-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN C[C@H](Nc1cc(N)cc(F)c1)c1cccc(Cl)c1 ZINC000049515288 525643276 /nfs/dbraw/zinc/64/32/76/525643276.db2.gz TZKPKFQABFIRHG-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000054077521 525658101 /nfs/dbraw/zinc/65/81/01/525658101.db2.gz YPEDKMQVTSPXHJ-JTQLQIEISA-N 0 0 255.308 4.279 10 0 CIAERN C[C@H](Nc1cccc(N)c1)c1ccc(Br)cc1 ZINC000049525090 525667517 /nfs/dbraw/zinc/66/75/17/525667517.db2.gz IRDSSIHKCUYWRE-JTQLQIEISA-N 0 0 291.192 4.204 10 0 CIAERN C[C@H](Nc1cccc(F)c1N)c1ccc(Cl)cc1 ZINC000049524978 525668296 /nfs/dbraw/zinc/66/82/96/525668296.db2.gz JKPVWUMLEUAZMP-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cc1N)c1cccc(F)c1 ZINC000049529018 525704289 /nfs/dbraw/zinc/70/42/89/525704289.db2.gz ZKUFKGDBMKCYQQ-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(N)cc1Cl)c1cccc(F)c1 ZINC000049529024 525705965 /nfs/dbraw/zinc/70/59/65/525705965.db2.gz LEMOOLABXWCJSR-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(F)cn1)c1ccc(Cl)cc1 ZINC000049526155 525706312 /nfs/dbraw/zinc/70/63/12/525706312.db2.gz XGTXWLYXQKQRJT-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN C[C@@H](Nc1cccc(N)c1)c1ccc(Br)cc1 ZINC000049525092 525717656 /nfs/dbraw/zinc/71/76/56/525717656.db2.gz IRDSSIHKCUYWRE-SNVBAGLBSA-N 0 0 291.192 4.204 10 0 CIAERN C[C@@H](Nc1ccccn1)c1cccc(Br)c1 ZINC000037998873 525721044 /nfs/dbraw/zinc/72/10/44/525721044.db2.gz VYBYCADCXDLDJV-SNVBAGLBSA-N 0 0 277.165 4.017 10 0 CIAERN Cc1ccc([C@@H](C)NCc2cnc(C(C)(C)C)s2)o1 ZINC000059180832 525737532 /nfs/dbraw/zinc/73/75/32/525737532.db2.gz PZYHNGFUNOKSHX-LLVKDONJSA-N 0 0 278.421 4.193 10 0 CIAERN Cc1ccc(-c2[nH]nc(N)c2-c2cccc(C)c2)s1 ZINC000055332000 525789812 /nfs/dbraw/zinc/78/98/12/525789812.db2.gz XFHZLGPVNFGNOR-UHFFFAOYSA-N 0 0 269.373 4.004 10 0 CIAERN Cc1ccsc1-c1noc(N)c1-c1ccc(C)cc1 ZINC000055332846 525814626 /nfs/dbraw/zinc/81/46/26/525814626.db2.gz PSYIFLCJMCORTD-UHFFFAOYSA-N 0 0 270.357 4.269 10 0 CIAERN Cc1c(N)cccc1N[C@H](C)c1cccc(Cl)c1 ZINC000062724998 525821001 /nfs/dbraw/zinc/82/10/01/525821001.db2.gz LXMVSOLVCUFHMM-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1c(N)cccc1N[C@@H]1CCCc2sccc21 ZINC000062725483 525821272 /nfs/dbraw/zinc/82/12/72/525821272.db2.gz YTJAYWZLSBTYMZ-CQSZACIVSA-N 0 0 258.390 4.128 10 0 CIAERN Cc1c(N)cccc1N[C@H](C)CCc1ccccc1 ZINC000062725148 525821404 /nfs/dbraw/zinc/82/14/04/525821404.db2.gz BCXOEULAYMVVIM-CYBMUJFWSA-N 0 0 254.377 4.010 10 0 CIAERN Cc1ccc([C@@H]2CNc3cc(Cl)ccc3O2)cc1 ZINC000062538596 525839547 /nfs/dbraw/zinc/83/95/47/525839547.db2.gz RNILDPJBCILMDN-HNNXBMFYSA-N 0 0 259.736 4.194 10 0 CIAERN C[C@@H](O)c1cnc(C2(c3ccccc3)CCCC2)s1 ZINC000062783075 525875846 /nfs/dbraw/zinc/87/58/46/525875846.db2.gz ZBHMVDVVLWNQMO-GFCCVEGCSA-N 0 0 273.401 4.057 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccccc2[C@H](C)O)s1 ZINC000049542558 525950554 /nfs/dbraw/zinc/95/05/54/525950554.db2.gz SBKCIVUCIRXDDE-RYUDHWBXSA-N 0 0 261.390 4.283 10 0 CIAERN Cc1ccc(Br)cc1Nc1cccc(N)c1C ZINC000062724800 525987514 /nfs/dbraw/zinc/98/75/14/525987514.db2.gz WBDXRNQIBZNUAO-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1)n1c(=S)[nH]nc1C1CC1 ZINC000049526374 526047268 /nfs/dbraw/zinc/04/72/68/526047268.db2.gz RHSSTHRSZWNNOI-QMMMGPOBSA-N 0 0 279.796 4.081 10 0 CIAERN Cc1cc(-c2nc3sccc3c(Cl)n2)ccc1F ZINC000050790873 526054051 /nfs/dbraw/zinc/05/40/51/526054051.db2.gz MHDOKYWJZRBUPW-UHFFFAOYSA-N 0 0 278.739 4.459 10 0 CIAERN Cc1cc(Br)cc(OC2CCCC2)c1 ZINC000062152413 526160339 /nfs/dbraw/zinc/16/03/39/526160339.db2.gz UNCXWWPCLRMXBX-UHFFFAOYSA-N 0 0 255.155 4.079 10 0 CIAERN Cc1cc(C(=O)CS[C@H]2CCC[C@H](C)C2)c(C)n1C ZINC000054693000 526212487 /nfs/dbraw/zinc/21/24/87/526212487.db2.gz IOEJSAMPYXFZOK-FZMZJTMJSA-N 0 0 279.449 4.137 10 0 CIAERN Cc1ccc2c(n1)nc(C)cc2Nc1ccc(Cl)cn1 ZINC000047162449 526224360 /nfs/dbraw/zinc/22/43/60/526224360.db2.gz PPINHQRVONNYNC-UHFFFAOYSA-N 0 0 284.750 4.039 10 0 CIAERN O[C@H](Cc1ccc(Cl)s1)C1(c2ccccc2)CC1 ZINC000062780753 526296713 /nfs/dbraw/zinc/29/67/13/526296713.db2.gz VXARHOBEHVXAGG-CYBMUJFWSA-N 0 0 278.804 4.037 10 0 CIAERN O[C@H](c1cccc(OC(F)(F)F)c1)C1CCCCC1 ZINC000061703388 526301137 /nfs/dbraw/zinc/30/11/37/526301137.db2.gz OSDLGJRANXSWDK-ZDUSSCGKSA-N 0 0 274.282 4.199 10 0 CIAERN Fc1ccc(-c2nc3sccc3c(Cl)n2)cc1 ZINC000050790805 526316603 /nfs/dbraw/zinc/31/66/03/526316603.db2.gz ULFXMPBJIOLIBB-UHFFFAOYSA-N 0 0 264.712 4.151 10 0 CIAERN Fc1ccc(Cl)cc1Nc1nc2c(c(Cl)n1)CCC2 ZINC000057343320 526347824 /nfs/dbraw/zinc/34/78/24/526347824.db2.gz PHWGSMCWPZFEKK-UHFFFAOYSA-N 0 0 298.148 4.155 10 0 CIAERN Fc1ccc(NCCSc2ccc(F)cc2)cc1 ZINC000048937225 526354533 /nfs/dbraw/zinc/35/45/33/526354533.db2.gz XSRRMKRNWJKHRH-UHFFFAOYSA-N 0 0 265.328 4.169 10 0 CIAERN Oc1cccc(-c2nc3c(s2)CCc2sccc2-3)c1 ZINC000061326602 526356832 /nfs/dbraw/zinc/35/68/32/526356832.db2.gz FBNOYKXWFRWQTD-UHFFFAOYSA-N 0 0 285.393 4.343 10 0 CIAERN Cc1csc(CNc2nc3cccc(Cl)c3s2)n1 ZINC000049534241 526362903 /nfs/dbraw/zinc/36/29/03/526362903.db2.gz DDSWMXYMTZVGDN-UHFFFAOYSA-N 0 0 295.820 4.327 10 0 CIAERN Fc1ccc2c(c1)NC[C@@H](c1ccc(Cl)cc1)O2 ZINC000062540047 526371549 /nfs/dbraw/zinc/37/15/49/526371549.db2.gz SZLFUFHFGZHJDE-AWEZNQCLSA-N 0 0 263.699 4.025 10 0 CIAERN S=C1CC(c2ccccc2)=NN1C1CCCCC1 ZINC000052305689 526387841 /nfs/dbraw/zinc/38/78/41/526387841.db2.gz VGMGBAJXRPZCLO-UHFFFAOYSA-N 0 0 258.390 4.344 10 0 CIAERN Fc1cccc(Oc2nnc(Cl)c3ccccc32)c1 ZINC000050528755 526397754 /nfs/dbraw/zinc/39/77/54/526397754.db2.gz IECJYXTWNBJCBJ-UHFFFAOYSA-N 0 0 274.682 4.215 10 0 CIAERN Cc1csc(Sc2nnc(Cl)c3ccccc32)n1 ZINC000050530717 526401066 /nfs/dbraw/zinc/40/10/66/526401066.db2.gz IWQLLQKGUQOZCM-UHFFFAOYSA-N 0 0 293.804 4.199 10 0 CIAERN Fc1cccc2c1[nH]c(=S)n2C(C1CC1)C1CC1 ZINC000049236282 526404258 /nfs/dbraw/zinc/40/42/58/526404258.db2.gz DXMWLRQZIAJYHE-UHFFFAOYSA-N 0 0 262.353 4.199 10 0 CIAERN Cc1nc(-c2cc(Cl)cc(Cl)c2)[nH]c(=O)c1C(C)C ZINC000061688350 526560793 /nfs/dbraw/zinc/56/07/93/526560793.db2.gz ARWMYYKNSMEKRG-UHFFFAOYSA-N 0 0 297.185 4.176 10 0 CIAERN Clc1nccc(Nc2cccc3ccccc32)n1 ZINC000051849215 527010722 /nfs/dbraw/zinc/01/07/22/527010722.db2.gz HSLWMEFKAPIEET-UHFFFAOYSA-N 0 0 255.708 4.027 10 0 CIAERN NC(=S)c1c(Cl)cccc1Oc1cccc(Cl)c1 ZINC000052908347 527113829 /nfs/dbraw/zinc/11/38/29/527113829.db2.gz OEPVCJLLDCWAFK-UHFFFAOYSA-N 0 0 298.194 4.420 10 0 CIAERN Cc1nc2ccccc2n1Cc1nc(Cl)ccc1Cl ZINC000061638286 527171637 /nfs/dbraw/zinc/17/16/37/527171637.db2.gz WLVWAYDXSOLPCI-UHFFFAOYSA-N 0 0 292.169 4.095 10 0 CIAERN O=C(Cc1cc(F)cc(F)c1)c1ccccc1Cl ZINC000049348312 527210489 /nfs/dbraw/zinc/21/04/89/527210489.db2.gz ZBTBPWUPSHJNMO-UHFFFAOYSA-N 0 0 266.674 4.044 10 0 CIAERN O=C(Cc1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000062607204 527233203 /nfs/dbraw/zinc/23/32/03/527233203.db2.gz NDPFNZKRWXCYPO-UHFFFAOYSA-N 0 0 284.664 4.183 10 0 CIAERN O=C(Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000053763163 527241737 /nfs/dbraw/zinc/24/17/37/527241737.db2.gz IDPVWRCUDOYDFD-UHFFFAOYSA-N 0 0 286.274 4.072 10 0 CIAERN Nc1cc(-c2cc(F)c(F)c(F)c2)ccc1Cl ZINC000061692236 527439027 /nfs/dbraw/zinc/43/90/27/527439027.db2.gz FSBXLZOSWSZIRU-UHFFFAOYSA-N 0 0 257.642 4.007 10 0 CIAERN Nc1ccc(SCC2CCCC2)c2ccncc12 ZINC000062835613 527500794 /nfs/dbraw/zinc/50/07/94/527500794.db2.gz VPOZDFPNXGSDTE-UHFFFAOYSA-N 0 0 258.390 4.099 10 0 CIAERN Nc1ccccc1CCSc1ccc(Cl)cc1 ZINC000052919074 527527378 /nfs/dbraw/zinc/52/73/78/527527378.db2.gz SEAIDEVIVKYHMK-UHFFFAOYSA-N 0 0 263.793 4.257 10 0 CIAERN O[C@@H](Cc1ccc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000062791903 527664005 /nfs/dbraw/zinc/66/40/05/527664005.db2.gz WBXIFRJNXGRBHW-AWEZNQCLSA-N 0 0 286.680 4.033 10 0 CIAERN FC(F)(F)Oc1ccc(-c2csc(Cl)n2)cc1 ZINC000061714180 527674891 /nfs/dbraw/zinc/67/48/91/527674891.db2.gz JXWILSCSIIKLIG-UHFFFAOYSA-N 0 0 279.670 4.362 10 0 CIAERN FC(F)(F)c1ccc(CCNc2ccccc2)cc1 ZINC000050518378 527681149 /nfs/dbraw/zinc/68/11/49/527681149.db2.gz CKNJSSYVGCNFFD-UHFFFAOYSA-N 0 0 265.278 4.360 10 0 CIAERN FC(F)Sc1ccccc1NCc1cncs1 ZINC000054769900 527698370 /nfs/dbraw/zinc/69/83/70/527698370.db2.gz FTNANEFUBPJVNN-UHFFFAOYSA-N 0 0 272.345 4.070 10 0 CIAERN FC(F)(Br)c1ccc(-c2cccnc2)cc1 ZINC000584881697 567882702 /nfs/dbraw/zinc/88/27/02/567882702.db2.gz MXGVKPHJXUESQW-UHFFFAOYSA-N 0 0 284.103 4.193 10 0 CIAERN Nc1cccc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000073639111 567893609 /nfs/dbraw/zinc/89/36/09/567893609.db2.gz YAFKIWLELBMRFJ-UHFFFAOYSA-N 0 0 260.749 4.199 10 0 CIAERN COc1ccc(-c2cnc(-c3ccccc3)o2)cc1OC ZINC000000899961 560179419 /nfs/dbraw/zinc/17/94/19/560179419.db2.gz VABIMQUXFWWAPI-UHFFFAOYSA-N 0 0 281.311 4.026 10 0 in-vitro CIAERN OC[C@](O)(/C1=C/CCCCCCCCCC1)C(F)(F)F ZINC000675053733 566938273 /nfs/dbraw/zinc/93/82/73/566938273.db2.gz QKTOXJQQMMBGKC-UELRPHRMSA-N 0 0 294.357 4.113 10 0 CIAERN Clc1ccnc2cc(Cl)c(Br)cc12 ZINC000199798696 566971404 /nfs/dbraw/zinc/97/14/04/566971404.db2.gz GIQVLZSBJZRDQY-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN FC(F)(F)CNc1ccc(Cl)c(Br)c1 ZINC000087153006 567034720 /nfs/dbraw/zinc/03/47/20/567034720.db2.gz MKUGHVZRYBHOGN-UHFFFAOYSA-N 0 0 288.494 4.077 10 0 CIAERN CNc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000226270212 567039123 /nfs/dbraw/zinc/03/91/23/567039123.db2.gz FJQZZWPXDNBBKP-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN CNc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 ZINC000226271582 567039126 /nfs/dbraw/zinc/03/91/26/567039126.db2.gz POFLQMOEQLGCOA-UHFFFAOYSA-N 0 0 272.735 4.498 10 0 CIAERN CCNc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000226282309 567040259 /nfs/dbraw/zinc/04/02/59/567040259.db2.gz GXNUULXLEHCIFT-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN CCNc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000226285544 567041541 /nfs/dbraw/zinc/04/15/41/567041541.db2.gz JTLOPQOZXOADPC-UHFFFAOYSA-N 0 0 280.327 4.117 10 0 CIAERN CC(C)(C)c1nc2cccc(Br)c2cc1O ZINC000685963473 567210584 /nfs/dbraw/zinc/21/05/84/567210584.db2.gz PEODZELZYWSLFR-UHFFFAOYSA-N 0 0 280.165 4.000 10 0 CIAERN COc1cccc(-c2nc3ccc(C)c(C)c3o2)c1 ZINC000062536680 567220149 /nfs/dbraw/zinc/22/01/49/567220149.db2.gz SWBDPOGXEUNLRR-UHFFFAOYSA-N 0 0 253.301 4.120 10 0 CIAERN CCn1c(C)csc1=Nc1c(C)cc(C)cc1C ZINC000000073239 567817712 /nfs/dbraw/zinc/81/77/12/567817712.db2.gz XOJFWYQSSSOHLJ-UHFFFAOYSA-O 0 0 261.414 4.033 10 0 CIAERN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)c1ccc(Cl)cc1 ZINC000004321615 567856769 /nfs/dbraw/zinc/85/67/69/567856769.db2.gz FAWFQAPMBCMDMH-VMGRFDJRSA-N 0 0 291.822 4.285 10 0 CIAERN COc1cc2c(cc1C)[C@@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 ZINC000004369917 567856926 /nfs/dbraw/zinc/85/69/26/567856926.db2.gz DIVPKWHYWKSKRU-DOHHPOSVSA-N 0 0 298.426 4.429 10 0 CIAERN CC(C)c1ccc(-c2cc3cccnc3nc2N)cc1 ZINC000019723517 567882479 /nfs/dbraw/zinc/88/24/79/567882479.db2.gz XXAMERKHNHGMIG-UHFFFAOYSA-N 0 0 263.344 4.002 10 0 CIAERN CC(C)n1cncc1-c1cc(Cl)ccc1Cl ZINC000725246297 567908296 /nfs/dbraw/zinc/90/82/96/567908296.db2.gz UKRMAQMHDUXPIT-UHFFFAOYSA-N 0 0 255.148 4.438 10 0 CIAERN CC[C@@H](C)c1nc2cc(C3CCC3)cc(Cl)n2n1 ZINC000725245998 567908298 /nfs/dbraw/zinc/90/82/98/567908298.db2.gz OFQOEMZDEOPZLK-SECBINFHSA-N 0 0 263.772 4.164 10 0 CIAERN O=Cc1cc(-c2cccc(Br)c2F)cs1 ZINC000725244654 567908322 /nfs/dbraw/zinc/90/83/22/567908322.db2.gz QNCDZSDJMJKNNT-UHFFFAOYSA-N 0 0 285.137 4.129 10 0 CIAERN CCCc1ccc2c(c1)[C@H](CC(=O)OC(C)(C)C)CCN2 ZINC000725253586 567911027 /nfs/dbraw/zinc/91/10/27/567911027.db2.gz ABGLAQBDVBOUAF-AWEZNQCLSA-N 0 0 289.419 4.270 10 0 CIAERN CC(C)(C)OCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725255549 567915060 /nfs/dbraw/zinc/91/50/60/567915060.db2.gz DNBDQAFLIUPXNP-UHFFFAOYSA-N 0 0 267.678 4.069 10 0 CIAERN CCC[C@@H]1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000725265610 567923486 /nfs/dbraw/zinc/92/34/86/567923486.db2.gz NEOZKIIGKKZTRP-LLVKDONJSA-N 0 0 258.340 4.121 10 0 CIAERN CC(C)(C)OC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000034418141 570220170 /nfs/dbraw/zinc/22/01/70/570220170.db2.gz FISLBSHZPVHANY-RMKNXTFCSA-N 0 0 272.266 4.060 10 0 CIAERN CC(C)c1nn(C)cc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000675070763 570366527 /nfs/dbraw/zinc/36/65/27/570366527.db2.gz SODQVGHDCIEOJY-UHFFFAOYSA-N 0 0 286.272 4.368 10 0 CIAERN O[C@H](CC/C=C\c1ccccc1)CCc1ccccc1 ZINC000015121957 571732276 /nfs/dbraw/zinc/73/22/76/571732276.db2.gz DPRCKWANIKZGTF-IVGFIOLJSA-N 0 0 266.384 4.474 10 0 endogenous,in-man CIAERN CC(=O)O[C@@H](C)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C ZINC000033953589 574414161 /nfs/dbraw/zinc/41/41/61/574414161.db2.gz TYUPZTIJMKMYHL-YLNVSZPXSA-N 0 0 250.382 4.267 10 0 endogenous,in-man CIAERN CC(C)(C)OC(=O)N1CCCC(=O)c2ccc(Cl)cc21 ZINC000095626876 185016040 /nfs/dbraw/zinc/01/60/40/185016040.db2.gz KASUZTJCPLDOSY-UHFFFAOYSA-N 0 0 295.766 4.058 10 0 CIAERN CON[C@H](c1ccccc1)c1cccc(C(F)(F)F)c1C ZINC000095725566 185021302 /nfs/dbraw/zinc/02/13/02/185021302.db2.gz MDMSGCWGXZTYLY-OAHLLOKOSA-N 0 0 295.304 4.254 10 0 CIAERN CSc1ccc(-c2nc(Cl)cc(Cl)n2)cc1 ZINC000082473739 178045237 /nfs/dbraw/zinc/04/52/37/178045237.db2.gz SKQDBGSZUKFJFN-UHFFFAOYSA-N 0 0 271.172 4.172 10 0 CIAERN Cc1cc(N)cnc1Nc1ccc(C(C)(C)C)cc1 ZINC000082565766 178095186 /nfs/dbraw/zinc/09/51/86/178095186.db2.gz UVRYHDKYORGFJO-UHFFFAOYSA-N 0 0 255.365 4.013 10 0 CIAERN Cc1cc(Nc2ccccc2C(C)(C)C)ncc1N ZINC000082565770 178095486 /nfs/dbraw/zinc/09/54/86/178095486.db2.gz WVSLUZDJCBHVEZ-UHFFFAOYSA-N 0 0 255.365 4.013 10 0 CIAERN O=c1cc(-c2ccccc2C(F)(F)F)[nH]c2ccccc12 ZINC000095912931 185030592 /nfs/dbraw/zinc/03/05/92/185030592.db2.gz UOZYXLUFUCHIGM-UHFFFAOYSA-N 0 0 289.256 4.214 10 0 CIAERN Brc1ccccc1-c1nc2c(s1)CCCC2 ZINC000082587023 178123917 /nfs/dbraw/zinc/12/39/17/178123917.db2.gz LEBUHMAYUMJEAR-UHFFFAOYSA-N 0 0 294.217 4.451 10 0 CIAERN Cc1cc2c(ccc(OCc3ccccc3)c2F)[nH]1 ZINC000095935607 185033202 /nfs/dbraw/zinc/03/32/02/185033202.db2.gz YKJPLFDIYRGJGR-UHFFFAOYSA-N 0 0 255.292 4.194 10 0 CIAERN Cc1c(Br)ccc2nc(-c3ccccc3)cn21 ZINC000095936375 185034246 /nfs/dbraw/zinc/03/42/46/185034246.db2.gz KDBADVPZDWMWJW-UHFFFAOYSA-N 0 0 287.160 4.072 10 0 CIAERN Nc1c(Cl)cccc1C(=O)Nc1ccc2ccccc2c1 ZINC000082699047 178200048 /nfs/dbraw/zinc/20/00/48/178200048.db2.gz GSMZVKCVQKSRLY-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN Cc1ccc2nc(NCCc3ccccc3)sc2c1 ZINC000082727231 178243496 /nfs/dbraw/zinc/24/34/96/178243496.db2.gz XDENBEBXNZQZLR-UHFFFAOYSA-N 0 0 268.385 4.259 10 0 CIAERN FC(F)(F)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000096102648 185098282 /nfs/dbraw/zinc/09/82/82/185098282.db2.gz FEPWALOWAVRCRT-UHFFFAOYSA-N 0 0 262.580 4.464 10 0 CIAERN CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000083314421 178380016 /nfs/dbraw/zinc/38/00/16/178380016.db2.gz VUQTWSDYRMHCDR-WSTZPKSXSA-N 0 0 293.410 4.400 10 0 CIAERN Clc1ccc(CNc2cnccc2Cl)cc1 ZINC000083394466 178402884 /nfs/dbraw/zinc/40/28/84/178402884.db2.gz UVHNUIRYLKSKBN-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN Clc1ccc(NCc2ccncc2Cl)cc1 ZINC000083394476 178402960 /nfs/dbraw/zinc/40/29/60/178402960.db2.gz KDOMAWAQGJZTCI-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN CC(C)(C)[C@H]1CCc2nc(Br)sc2C1 ZINC000096943521 185133961 /nfs/dbraw/zinc/13/39/61/185133961.db2.gz MUHKJYAUZNHHAA-ZETCQYMHSA-N 0 0 274.227 4.057 10 0 CIAERN CCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1 ZINC000000471259 529544885 /nfs/dbraw/zinc/54/48/85/529544885.db2.gz ZDPQDUOLKFQWOU-UHFFFAOYSA-N 0 0 267.250 4.455 10 0 CIAERN CCc1cc(N)cc(Cl)c1N1[C@H](C)CCC[C@H]1C ZINC000226315447 136386840 /nfs/dbraw/zinc/38/68/40/136386840.db2.gz AVDRIEHHYPZMRX-GHMZBOCLSA-N 0 0 266.816 4.252 10 0 CIAERN C[C@@H]1CCC[C@H](C)N1c1c(Cl)cc(N)cc1Cl ZINC000226316408 136386954 /nfs/dbraw/zinc/38/69/54/136386954.db2.gz PZQFFPFNSLADLO-DTORHVGOSA-N 0 0 273.207 4.343 10 0 CIAERN CCc1cc(N)cc(Cl)c1N1[C@H](C)CCC[C@@H]1C ZINC000226315441 136387071 /nfs/dbraw/zinc/38/70/71/136387071.db2.gz AVDRIEHHYPZMRX-PHIMTYICSA-N 0 0 266.816 4.252 10 0 CIAERN Cc1ccsc1C(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000000999909 136393375 /nfs/dbraw/zinc/39/33/75/136393375.db2.gz LQPLCMYJUICZAY-LLVKDONJSA-N 0 0 289.375 4.177 10 0 CIAERN OCc1ccc(NCc2csc3ccccc23)cc1 ZINC000083514584 178544086 /nfs/dbraw/zinc/54/40/86/178544086.db2.gz LFBYZOAUVUIIHT-UHFFFAOYSA-N 0 0 269.369 4.006 10 0 CIAERN CC(C)(C)[C@H]1CCC(=O)[C@H](CC(=O)c2ccc(F)cc2)C1 ZINC000085347817 179028831 /nfs/dbraw/zinc/02/88/31/179028831.db2.gz SWYIVPYMTHOHRT-KBPBESRZSA-N 0 0 290.378 4.430 10 0 CIAERN CCc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1 ZINC000098177994 185697320 /nfs/dbraw/zinc/69/73/20/185697320.db2.gz XKAOTXBCCOGKGA-UHFFFAOYSA-N 0 0 292.260 4.471 10 0 CIAERN C[Si](C)(C)N1C=CN([Si](C)(C)C)c2ccccc21 ZINC000195757141 136581016 /nfs/dbraw/zinc/58/10/16/136581016.db2.gz MRTGCPAFUUXJOY-UHFFFAOYSA-N 0 0 276.532 4.454 10 0 CIAERN C[C@@H]1CCc2ccccc2N1c1ccc(Cl)cc1N ZINC000019232954 136576639 /nfs/dbraw/zinc/57/66/39/136576639.db2.gz UBWMYIIRKKWOBS-LLVKDONJSA-N 0 0 272.779 4.395 10 0 CIAERN CCCn1c(N)c(-c2cccc(Cl)c2Cl)nc1CC ZINC000103501327 185845654 /nfs/dbraw/zinc/84/56/54/185845654.db2.gz RLZYUTOIGISXHO-UHFFFAOYSA-N 0 0 298.217 4.412 10 0 CIAERN CCCCCC[C@@H](C)n1c(Cl)nnc1CCC ZINC000103928940 185863040 /nfs/dbraw/zinc/86/30/40/185863040.db2.gz WEQFGRIMEVRRLQ-LLVKDONJSA-N 0 0 257.809 4.415 10 0 CIAERN CC(C)c1nnc(Cl)n1[C@H](C)c1ccc(Cl)s1 ZINC000103928174 185863128 /nfs/dbraw/zinc/86/31/28/185863128.db2.gz QWGASEQXWADGHN-SSDOTTSWSA-N 0 0 290.219 4.379 10 0 CIAERN Cc1cc(C)cc(C(=O)Cc2ccc(Cl)cc2)c1 ZINC000103944551 185865412 /nfs/dbraw/zinc/86/54/12/185865412.db2.gz CADHFZQKEUUMFY-UHFFFAOYSA-N 0 0 258.748 4.382 10 0 CIAERN C[C@H]1CC(C)(C)C[C@@](O)(Cc2ccc(F)cc2F)C1 ZINC000103946032 185866267 /nfs/dbraw/zinc/86/62/67/185866267.db2.gz ACIGYOWNFJULHU-ZBEGNZNMSA-N 0 0 268.347 4.085 10 0 CIAERN COc1ccc(Cl)c(N[C@@H]2CCC[C@H](C)C2)c1 ZINC000103985495 185875083 /nfs/dbraw/zinc/87/50/83/185875083.db2.gz FPCZYLJNJXQMTQ-WDEREUQCSA-N 0 0 253.773 4.339 10 0 CIAERN CC(C)(C)c1cc(=S)n(Cc2cccc(Cl)c2)[nH]1 ZINC000104015558 185882672 /nfs/dbraw/zinc/88/26/72/185882672.db2.gz IMKIUJCLDJURNH-UHFFFAOYSA-N 0 0 280.824 4.171 10 0 CIAERN FC(F)(F)Oc1ccccc1N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104043981 185885099 /nfs/dbraw/zinc/88/50/99/185885099.db2.gz YRZODWLTZLTSMH-UMNHJUIQSA-N 0 0 271.282 4.186 10 0 CIAERN Cc1c(Cl)cccc1NC=C1C(=O)Nc2ccccc21 ZINC000104043130 185885502 /nfs/dbraw/zinc/88/55/02/185885502.db2.gz WJIVTCXRYWFRAL-FMIVXFBMSA-N 0 0 284.746 4.054 10 0 CIAERN CCOc1cccc(N[C@@H](C)c2ccccc2Cl)n1 ZINC000104112873 185897455 /nfs/dbraw/zinc/89/74/55/185897455.db2.gz HNCRCEDZVDXNBR-NSHDSACASA-N 0 0 276.767 4.307 10 0 CIAERN CCOc1cccc(N[C@@H](CC)c2cccs2)n1 ZINC000104114596 185897571 /nfs/dbraw/zinc/89/75/71/185897571.db2.gz DGIKALGONOFWCR-NSHDSACASA-N 0 0 262.378 4.105 10 0 CIAERN CCc1nc(Cc2c(F)cccc2Cl)nc(Cl)c1C ZINC000104156132 185913775 /nfs/dbraw/zinc/91/37/75/185913775.db2.gz MDPPVVZMKBBYIY-UHFFFAOYSA-N 0 0 299.176 4.384 10 0 CIAERN CCc1cccc(Oc2ccc(C(N)=S)cc2Cl)c1 ZINC000104184937 185919470 /nfs/dbraw/zinc/91/94/70/185919470.db2.gz QBLJZTHKNWSZEC-UHFFFAOYSA-N 0 0 291.803 4.329 10 0 CIAERN C[C@H](c1cccs1)N(C)c1ccc(N)cc1C(F)F ZINC000104208531 185931734 /nfs/dbraw/zinc/93/17/34/185931734.db2.gz LADLFCPICNZWHF-SECBINFHSA-N 0 0 282.359 4.465 10 0 CIAERN CCCCCC[C@H](C)Oc1ncnc(Cl)c1CC ZINC000104227758 185936523 /nfs/dbraw/zinc/93/65/23/185936523.db2.gz HQZJPIUUJVCURV-NSHDSACASA-N 0 0 270.804 4.430 10 0 CIAERN CN(CC1CCCCC1)c1ccc(N)cc1C(F)F ZINC000104227681 185936726 /nfs/dbraw/zinc/93/67/26/185936726.db2.gz OYTOBHPOXVXPHP-UHFFFAOYSA-N 0 0 268.351 4.223 10 0 CIAERN Cc1ccccc1Sc1cccc(F)c1[C@H](C)O ZINC000104296068 185957973 /nfs/dbraw/zinc/95/79/73/185957973.db2.gz QZKOXAIQHHKPPV-NSHDSACASA-N 0 0 262.349 4.339 10 0 CIAERN Cc1ccc(Sc2ccc(CO)cc2F)cc1C ZINC000104298581 185958780 /nfs/dbraw/zinc/95/87/80/185958780.db2.gz FSMKJOGGTFDBBZ-UHFFFAOYSA-N 0 0 262.349 4.086 10 0 CIAERN C[C@H](O)c1cc(F)ccc1SC1CCCCC1 ZINC000104298641 185958936 /nfs/dbraw/zinc/95/89/36/185958936.db2.gz PQKFPDBLINUVPH-JTQLQIEISA-N 0 0 254.370 4.304 10 0 CIAERN FC(F)(F)c1ccccc1-c1cnc2cc[nH]c2c1 ZINC000089221710 179757298 /nfs/dbraw/zinc/75/72/98/179757298.db2.gz KVPLATSITYYXRC-UHFFFAOYSA-N 0 0 262.234 4.249 10 0 CIAERN Cc1cccc(OCc2c(N)cccc2Cl)c1C ZINC000104313386 185963542 /nfs/dbraw/zinc/96/35/42/185963542.db2.gz UAWBJCYDGIVNNE-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN C[C@H](O)c1ccc(N2CCC[C@H](C)CC2)c(Cl)c1 ZINC000104367341 185986081 /nfs/dbraw/zinc/98/60/81/185986081.db2.gz YDIPYWRBPUHLQU-RYUDHWBXSA-N 0 0 267.800 4.020 10 0 CIAERN CCc1cc(-c2nc3cc(F)ccc3s2)c(N)s1 ZINC000104364264 185985204 /nfs/dbraw/zinc/98/52/04/185985204.db2.gz IZWCTAZJGGJGMG-UHFFFAOYSA-N 0 0 278.377 4.309 10 0 CIAERN CCOc1cc(N[C@@H](C)C(CC)CC)c(N)cc1F ZINC000104430216 185999611 /nfs/dbraw/zinc/99/96/11/185999611.db2.gz MEKWSCFESOGBCE-JTQLQIEISA-N 0 0 268.376 4.043 10 0 CIAERN CCOc1ccc(C)cc1[C@H](O)C[C@H](C)C(C)(C)C ZINC000104434220 186000099 /nfs/dbraw/zinc/00/00/99/186000099.db2.gz JTZPCLNAMAINTG-DZGCQCFKSA-N 0 0 264.409 4.499 10 0 CIAERN COc1ccc(F)cc1C(=O)C[C@H](C)C(C)(C)C ZINC000104432716 186000824 /nfs/dbraw/zinc/00/08/24/186000824.db2.gz KKLXPGWDKXHMQS-JTQLQIEISA-N 0 0 252.329 4.089 10 0 CIAERN CCC(CC)[C@H](C)Nc1ccc(N)cc1C(F)F ZINC000104433103 186000839 /nfs/dbraw/zinc/00/08/39/186000839.db2.gz HCTWZOBLLSDSOS-VIFPVBQESA-N 0 0 256.340 4.443 10 0 CIAERN O=c1cc(-c2ccccc2)nc(-c2ccc3ccccc3c2)[nH]1 ZINC000090660646 180019510 /nfs/dbraw/zinc/01/95/10/180019510.db2.gz IXZYRECATMQYCX-UHFFFAOYSA-N 0 0 298.345 4.257 10 0 CIAERN CCC(CC)[C@@H](C)Nc1ncccc1C(F)(F)F ZINC000104440897 186002902 /nfs/dbraw/zinc/00/29/02/186002902.db2.gz XARWYVQSSKGFKJ-SECBINFHSA-N 0 0 260.303 4.337 10 0 CIAERN CC(C)C1=CC(C)(C)Oc2cc(O)c(Cl)cc21 ZINC000090764706 180036931 /nfs/dbraw/zinc/03/69/31/180036931.db2.gz ZZCYGRILWFNQHF-UHFFFAOYSA-N 0 0 252.741 4.256 10 0 CIAERN CC(C)[C@@H]1C=C(COCc2ccccc2)[C@@H](C(C)C)O1 ZINC000090766647 180037579 /nfs/dbraw/zinc/03/75/79/180037579.db2.gz YKWOPOIFXAYLLO-ZWKOTPCHSA-N 0 0 274.404 4.209 10 0 CIAERN CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N ZINC000091301986 180129489 /nfs/dbraw/zinc/12/94/89/180129489.db2.gz JNJJINIJWXHEQQ-UHFFFAOYSA-N 0 0 290.388 4.344 10 0 CIAERN COc1ccc(CSc2cc(Cl)ccn2)cc1 ZINC000091362129 180141851 /nfs/dbraw/zinc/14/18/51/180141851.db2.gz ZBEQFGKOORXQTA-UHFFFAOYSA-N 0 0 265.765 4.036 10 0 CIAERN CCC1CCC(CNc2ncccc2Br)CC1 ZINC000109967363 186281023 /nfs/dbraw/zinc/28/10/23/186281023.db2.gz VXOLNGGXDZXEKV-UHFFFAOYSA-N 0 0 297.240 4.472 10 0 CIAERN CC(C)(C)c1ccc(Cl)c(I)c1 ZINC000116383100 186710761 /nfs/dbraw/zinc/71/07/61/186710761.db2.gz CFMXITGBZNSYTE-UHFFFAOYSA-N 0 0 294.563 4.242 10 0 CIAERN Cc1c[nH]c2nc(Cl)cc(Oc3ccc(N)cc3F)c12 ZINC000137126110 187893852 /nfs/dbraw/zinc/89/38/52/187893852.db2.gz KHODSKNLNQXXLL-UHFFFAOYSA-N 0 0 291.713 4.038 10 0 CIAERN O[C@@H](c1ccccc1F)c1ccc2c3c(cccc31)CC2 ZINC000158861868 188397589 /nfs/dbraw/zinc/39/75/89/188397589.db2.gz WVCXHBGHEIBCHC-LJQANCHMSA-N 0 0 278.326 4.159 10 0 CIAERN c1nn(-c2ccccc2)c2c1CSc1ccccc1-2 ZINC000169323427 188658015 /nfs/dbraw/zinc/65/80/15/188658015.db2.gz KRUFBAMJIMIEGJ-UHFFFAOYSA-N 0 0 264.353 4.145 10 0 CIAERN O=c1oc2ccccc2cc1-c1cccc(-n2cccc2)c1 ZINC000226280660 189770900 /nfs/dbraw/zinc/77/09/00/189770900.db2.gz IHEIAQIEQMMRFJ-UHFFFAOYSA-N 0 0 287.318 4.251 10 0 CIAERN CC[C@H](C)c1ccccc1NC(=O)c1ccc(OC)c(N)c1 ZINC000226265232 189770927 /nfs/dbraw/zinc/77/09/27/189770927.db2.gz NWWDCDKNZVVFCA-LBPRGKRZSA-N 0 0 298.386 4.043 10 0 CIAERN O[C@@H](c1ccc(F)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000226296771 189771704 /nfs/dbraw/zinc/77/17/04/189771704.db2.gz JYAFSCYYGPIXBO-FQEVSTJZSA-N 0 0 290.337 4.479 10 0 CIAERN Cc1ccc(C(=O)c2ccc3c4c(cccc42)CC3)cc1N ZINC000226295792 189772021 /nfs/dbraw/zinc/77/20/21/189772021.db2.gz ZKUFPQTWWSXKKO-UHFFFAOYSA-N 0 0 287.362 4.060 10 0 CIAERN CNc1ccc(Cl)c(COC2CCCCCC2)n1 ZINC000061640508 522622989 /nfs/dbraw/zinc/62/29/89/522622989.db2.gz SABQXGOUVATVME-UHFFFAOYSA-N 0 0 268.788 4.016 10 0 CIAERN COc1cc2cncc(Cc3ccc(Cl)cc3)c2cc1O ZINC000255965705 189997573 /nfs/dbraw/zinc/99/75/73/189997573.db2.gz BVFFBFPRLGIHPV-UHFFFAOYSA-N 0 0 299.757 4.193 10 0 CIAERN C[C@H](Nc1ccc(Cl)nn1)C12CC3CC(CC(C3)C1)C2 ZINC000020022593 184535358 /nfs/dbraw/zinc/53/53/58/184535358.db2.gz ATEUIUCUQQTUNC-HXTFMFRQSA-N 0 0 291.826 4.147 10 0 CIAERN CC(C)(C)CC(C)(C)c1ccc(OCCC(N)=S)cc1 ZINC000020549083 184535777 /nfs/dbraw/zinc/53/57/77/184535777.db2.gz HYZDYMSXUWPQKA-UHFFFAOYSA-N 0 0 293.476 4.455 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C(N)=S)cc1 ZINC000021803500 184536373 /nfs/dbraw/zinc/53/63/73/184536373.db2.gz OSIIAGCZEGHAOD-MAZHCROVSA-N 0 0 291.460 4.160 10 0 CIAERN Cc1ccccc1N[C@H](C)c1ccc2c(c1)CCO2 ZINC000037216446 184539704 /nfs/dbraw/zinc/53/97/04/184539704.db2.gz NMCABWRFWCEHLY-CYBMUJFWSA-N 0 0 253.345 4.103 10 0 CIAERN Clc1cccc(Cl)c1NCc1cccnc1 ZINC000000498824 169657047 /nfs/dbraw/zinc/65/70/47/169657047.db2.gz PXBXHBCFMXRSPW-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(Cl)s2)o1 ZINC000093051616 262215287 /nfs/dbraw/zinc/21/52/87/262215287.db2.gz XABFUBHXIWFISB-SECBINFHSA-N 0 0 283.780 4.102 10 0 CIAERN COc1cc2c(cc1C)[C@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 ZINC000004369912 256872486 /nfs/dbraw/zinc/87/24/86/256872486.db2.gz DIVPKWHYWKSKRU-DKYLXPRQSA-N 0 0 298.426 4.429 10 0 CIAERN COc1cc(C)c2c(c1)C=C[C@H]1[C@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000004370023 256872505 /nfs/dbraw/zinc/87/25/05/256872505.db2.gz LJVYLXABDDIITQ-KLBVCGFUSA-N 0 0 298.426 4.301 10 0 CIAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000226347021 130824342 /nfs/dbraw/zinc/82/43/42/130824342.db2.gz VMKVXRBGKPHLDA-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1ccc2c(Cl)nc(Cl)nc2c1Br ZINC000238521164 131079751 /nfs/dbraw/zinc/07/97/51/131079751.db2.gz KBNRSBPUSUJNCZ-UHFFFAOYSA-N 0 0 291.963 4.008 10 0 CIAERN Cc1ccc(C(=O)CN2c3ccccc3CC[C@@H]2C)cc1 ZINC000035037121 134787571 /nfs/dbraw/zinc/78/75/71/134787571.db2.gz OJVIVFYOAPCIFM-HNNXBMFYSA-N 0 0 279.383 4.019 10 0 CIAERN C[C@H](NC(=O)c1cccc(C(F)F)c1)c1cccs1 ZINC000171521769 335068554 /nfs/dbraw/zinc/06/85/54/335068554.db2.gz MYIKQKCSUHGBCC-VIFPVBQESA-N 0 0 281.327 4.177 10 0 CIAERN CC(C)(C)C1CCC(NC(=O)c2ccccc2)CC1 ZINC000001697849 169744646 /nfs/dbraw/zinc/74/46/46/169744646.db2.gz WYGMRNJUINLKMG-UHFFFAOYSA-N 0 0 259.393 4.021 10 0 CIAERN CCn1c2cc(O)ccc2c(C)c1-c1ccc(O)cc1 ZINC000003815444 169914040 /nfs/dbraw/zinc/91/40/40/169914040.db2.gz NZOXLJHRDLTJCP-UHFFFAOYSA-N 0 0 267.328 4.048 10 0 CIAERN CC[C@@H]1c2ccc(O)cc2[C@H](C)[C@@H]1c1ccc(O)cc1 ZINC000004655379 169993818 /nfs/dbraw/zinc/99/38/18/169993818.db2.gz UVOBXMBJOYYZST-BKGUAONASA-N 0 0 268.356 4.492 10 0 in-vitro CIAERN O=c1cc(/C=C\c2ccccc2)oc(-c2ccccc2)c1 ZINC000004887017 170036510 /nfs/dbraw/zinc/03/65/10/170036510.db2.gz XKHXNCXAVJCXKW-QXMHVHEDSA-N 0 0 274.319 4.477 10 0 CIAERN Cc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 ZINC000005152367 170071225 /nfs/dbraw/zinc/07/12/25/170071225.db2.gz OOLQKVXFGMSLAN-UHFFFAOYSA-N 0 0 296.395 4.474 10 0 CIAERN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000005187207 170074851 /nfs/dbraw/zinc/07/48/51/170074851.db2.gz JUYQSSPUXQWNFW-QGZVFWFLSA-N 0 0 298.773 4.038 10 0 CIAERN Cc1ccc(N[P@@](C)(=O)Oc2ccccc2)cc1 ZINC000005257423 170080446 /nfs/dbraw/zinc/08/04/46/170080446.db2.gz KDZQLRQKSBGPAU-SFHVURJKSA-N 0 0 261.261 4.309 10 0 CIAERN C[C@H]1CCCC[C@H](c2cn(C)c3ccccc23)C1=O ZINC000005330421 170086284 /nfs/dbraw/zinc/08/62/84/170086284.db2.gz JZTRTLPEFCAPPK-GXTWGEPZSA-N 0 0 255.361 4.041 10 0 CIAERN OC(c1ccsc1)(c1ccccc1)c1ccccc1 ZINC000005368260 170089556 /nfs/dbraw/zinc/08/95/56/170089556.db2.gz OTWZSXJIWXGIPL-UHFFFAOYSA-N 0 0 266.365 4.032 10 0 CIAERN Cc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 ZINC000005381033 170091980 /nfs/dbraw/zinc/09/19/80/170091980.db2.gz NYAPHQKXLLLPGR-UHFFFAOYSA-N 0 0 293.395 4.139 10 0 CIAERN Cc1ccccc1C(=O)Nc1cnc(-c2ccccc2C)o1 ZINC000005422937 170097641 /nfs/dbraw/zinc/09/76/41/170097641.db2.gz SCGFCOZZWHVYMY-UHFFFAOYSA-N 0 0 292.338 4.211 10 0 CIAERN CC[C@@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000005476476 170103222 /nfs/dbraw/zinc/10/32/22/170103222.db2.gz GCGVPKQODYKRSQ-BOLDSZDNSA-N 0 0 277.795 4.144 10 0 CIAERN CC(C)(c1ccccc1)c1ccc(OCCC(N)=S)cc1 ZINC000005592798 170117459 /nfs/dbraw/zinc/11/74/59/170117459.db2.gz AOBLJDGSHXJZGV-UHFFFAOYSA-N 0 0 299.439 4.068 10 0 CIAERN COc1ccc(Oc2snnc2-c2cccs2)cc1 ZINC000005661645 170124943 /nfs/dbraw/zinc/12/49/43/170124943.db2.gz JEPQAOHGDCZTNH-UHFFFAOYSA-N 0 0 290.369 4.068 10 0 CIAERN CCc1oc2ccccc2c1C(=O)c1ccc(OC)cc1 ZINC000005688527 170129486 /nfs/dbraw/zinc/12/94/86/170129486.db2.gz TTXQKBMNVDJBPZ-UHFFFAOYSA-N 0 0 280.323 4.235 10 0 CIAERN Cc1cc(OC(=O)c2cccc(F)c2)ccc1Cl ZINC000005749962 170136723 /nfs/dbraw/zinc/13/67/23/170136723.db2.gz WLWVLVPRUFYNQI-UHFFFAOYSA-N 0 0 264.683 4.007 10 0 CIAERN O[C@H](CCc1ccccc1)c1ccc(Br)cc1 ZINC000005773389 170139192 /nfs/dbraw/zinc/13/91/92/170139192.db2.gz QFPDMAKCDSRNAQ-OAHLLOKOSA-N 0 0 291.188 4.115 10 0 CIAERN CCCCc1c(C)c(OC)c2ccccc2c1OC(C)=O ZINC000005831766 170144841 /nfs/dbraw/zinc/14/48/41/170144841.db2.gz HEGRWEHIZSSHHW-UHFFFAOYSA-N 0 0 286.371 4.425 10 0 CIAERN CCCCc1cc(OC)c2c(C)cccc2c1OC(C)=O ZINC000005831939 170144854 /nfs/dbraw/zinc/14/48/54/170144854.db2.gz UXLVLMCDWZQXFV-UHFFFAOYSA-N 0 0 286.371 4.425 10 0 CIAERN CCc1c(C)[nH]c(=O)cc1Sc1cc(C)cc(C)c1 ZINC000005886687 170150451 /nfs/dbraw/zinc/15/04/51/170150451.db2.gz RTHOWUMMDRBMHX-UHFFFAOYSA-N 0 0 273.401 4.014 10 0 CIAERN CCCCCCOc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000005951192 170161196 /nfs/dbraw/zinc/16/11/96/170161196.db2.gz PRPUDHDEFNSRCU-CQSZACIVSA-N 0 0 277.408 4.174 10 0 CIAERN Cc1cc(C)c(OP2(=O)OCC(C)(C)CO2)c(C)c1 ZINC000006069710 170173574 /nfs/dbraw/zinc/17/35/74/170173574.db2.gz BTCQUAFZBKNMIL-UHFFFAOYSA-N 0 0 284.292 4.172 10 0 CIAERN Oc1ccc2c(c1)CCC1C2C2CCc3cc(O)ccc3C12 ZINC000006094123 170175627 /nfs/dbraw/zinc/17/56/27/170175627.db2.gz OOYXVGFWIONADE-UHFFFAOYSA-N 0 0 292.378 4.104 10 0 CIAERN COc1ccccc1C(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000006188826 170181458 /nfs/dbraw/zinc/18/14/58/170181458.db2.gz NINSNMWMAKWKJD-UHFFFAOYSA-N 0 0 290.746 4.185 10 0 CIAERN C[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000006253319 170185792 /nfs/dbraw/zinc/18/57/92/170185792.db2.gz KQRMMAZCOMWUBC-IOCXFXADSA-N 0 0 298.213 4.408 10 0 CIAERN C[C@@H](Nc1ccc2ccccc2c1)C(=O)NC1CCCCC1 ZINC000006285210 170188363 /nfs/dbraw/zinc/18/83/63/170188363.db2.gz MIHYUOJVHOFEML-CQSZACIVSA-N 0 0 296.414 4.089 10 0 CIAERN S=C(NC1CC1)NC1CCCCCCCCCCC1 ZINC000006295580 170189148 /nfs/dbraw/zinc/18/91/48/170189148.db2.gz OXCZGJPICYNTNL-UHFFFAOYSA-N 0 0 282.497 4.286 10 0 CIAERN c1ccc2oc(-c3nc4ccccc4s3)nc2c1 ZINC000006342629 170194417 /nfs/dbraw/zinc/19/44/17/170194417.db2.gz YANNNZRJLNEYKE-UHFFFAOYSA-N 0 0 252.298 4.105 10 0 CIAERN S=c1[nH]c2ccccc2n1CCC1CCCCC1 ZINC000006400339 170198377 /nfs/dbraw/zinc/19/83/77/170198377.db2.gz IRUUXCHKKVFDCZ-UHFFFAOYSA-N 0 0 260.406 4.295 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1cccc(C)c1C ZINC000006523512 170209789 /nfs/dbraw/zinc/20/97/89/170209789.db2.gz QRFYLDIFTKNJRV-WYMLVPIESA-N 0 0 265.356 4.345 10 0 CIAERN CCCCCc1nnc(NC(=O)[C@@H](CC)CCCC)s1 ZINC000006597911 170217866 /nfs/dbraw/zinc/21/78/66/170217866.db2.gz ZUQJZTMGQSMNQN-LBPRGKRZSA-N 0 0 297.468 4.426 10 0 CIAERN O=C(Nc1ccccn1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000006616676 170219526 /nfs/dbraw/zinc/21/95/26/170219526.db2.gz KSYZWXLFUDLWNK-UHFFFAOYSA-N 0 0 298.729 4.247 10 0 CIAERN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(C)cc2C)cc1 ZINC000007042289 170263659 /nfs/dbraw/zinc/26/36/59/170263659.db2.gz ZSIQXYHHSWMEIB-OAHLLOKOSA-N 0 0 282.387 4.051 10 0 CIAERN CC(C)c1cccc(N[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000007220662 170272561 /nfs/dbraw/zinc/27/25/61/170272561.db2.gz RJCAFLJBEMLEQN-AWEZNQCLSA-N 0 0 282.387 4.249 10 0 CIAERN CC(C)c1ccc(N[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000007225129 170272724 /nfs/dbraw/zinc/27/27/24/170272724.db2.gz MORSBDXIEFXLOU-CQSZACIVSA-N 0 0 288.435 4.059 10 0 CIAERN C[C@H](NC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000007597656 170292516 /nfs/dbraw/zinc/29/25/16/170292516.db2.gz XDUDPNUDFDNGFT-VIFPVBQESA-N 0 0 295.716 4.109 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Nc1cc(C)ccc1C ZINC000007608165 170293071 /nfs/dbraw/zinc/29/30/71/170293071.db2.gz ILVMXOYRCWBWBT-VAWYXSNFSA-N 0 0 295.382 4.354 10 0 CIAERN CC(C)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000007650053 170295303 /nfs/dbraw/zinc/29/53/03/170295303.db2.gz JSXRWETVRBECJC-UHFFFAOYSA-N 0 0 287.334 4.113 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1CC ZINC000007724206 170299516 /nfs/dbraw/zinc/29/95/16/170299516.db2.gz VIFJBTSCJKJEEM-BUHFOSPRSA-N 0 0 295.382 4.300 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1cccc(C)c1 ZINC000007885339 170305910 /nfs/dbraw/zinc/30/59/10/170305910.db2.gz FQUZZIMCBGMBDO-KSSFIOAISA-N 0 0 294.398 4.360 10 0 CIAERN O=c1oc(-c2cc3ccccc3o2)nc2ccc(Cl)cc12 ZINC000008188489 170323308 /nfs/dbraw/zinc/32/33/08/170323308.db2.gz GYMSYZZWVSPVHN-UHFFFAOYSA-N 0 0 297.697 4.255 10 0 CIAERN C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccccc1Cl ZINC000008222375 170325753 /nfs/dbraw/zinc/32/57/53/170325753.db2.gz DZOJNGNYTRXLEL-GHMZBOCLSA-N 0 0 282.840 4.300 10 0 CIAERN C[C@H]1CCC[C@H](C)N1C(=S)Nc1cccc(Cl)c1 ZINC000008269474 170327711 /nfs/dbraw/zinc/32/77/11/170327711.db2.gz LEDNPDOHMIPMCW-QWRGUYRKSA-N 0 0 282.840 4.300 10 0 CIAERN O=C(Nc1cccc(O)c1)c1cccc(-c2cccs2)c1 ZINC000008512985 170338656 /nfs/dbraw/zinc/33/86/56/170338656.db2.gz BERIGNQOEISRQJ-UHFFFAOYSA-N 0 0 295.363 4.373 10 0 CIAERN Cc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008550049 170339494 /nfs/dbraw/zinc/33/94/94/170339494.db2.gz QJZFDSMIUFGITP-INIZCTEOSA-N 0 0 270.763 4.087 10 0 CIAERN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2)cc1 ZINC000008550457 170339931 /nfs/dbraw/zinc/33/99/31/170339931.db2.gz MAMMNSXUWMEVIN-HNNXBMFYSA-N 0 0 270.763 4.087 10 0 CIAERN CC(C)(C)c1ccc(C(=O)OC2CCCCC2)cc1 ZINC000008557419 170340119 /nfs/dbraw/zinc/34/01/19/170340119.db2.gz ZAYCRGYMKJBXLB-UHFFFAOYSA-N 0 0 260.377 4.474 10 0 CIAERN CC(=O)c1cc(C)n(Cc2ccc(Cl)cc2)c1C ZINC000009246055 170368244 /nfs/dbraw/zinc/36/82/44/170368244.db2.gz YAGTWKRXRXODLS-UHFFFAOYSA-N 0 0 261.752 4.009 10 0 CIAERN Cc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3OCC[C@@H]32)cc1 ZINC000009280425 170370184 /nfs/dbraw/zinc/37/01/84/170370184.db2.gz BTOPNQJWTZVMBV-JLSDUUJJSA-N 0 0 283.346 4.379 10 0 CIAERN CC[C@H](C)NC(=O)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527161 170380332 /nfs/dbraw/zinc/38/03/32/170380332.db2.gz GNGYHTAHDGKLJD-VIFPVBQESA-N 0 0 291.441 4.104 10 0 CIAERN CCc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000011639152 170431172 /nfs/dbraw/zinc/43/11/72/170431172.db2.gz VPVVAEHXFIAVSQ-UHFFFAOYSA-N 0 0 288.416 4.378 10 0 CIAERN OC[C@H](Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000011734639 170436686 /nfs/dbraw/zinc/43/66/86/170436686.db2.gz HWVBOIJOPHCLOP-LBPRGKRZSA-N 0 0 281.182 4.312 10 0 CIAERN Cc1ccc(Cl)c2sc(Br)nc21 ZINC000011920210 170458838 /nfs/dbraw/zinc/45/88/38/170458838.db2.gz JHOQELSQTXEIIE-UHFFFAOYSA-N 0 0 262.559 4.021 10 0 CIAERN CC(C)(C)c1ccccc1Oc1ccc(C(N)=S)cc1 ZINC000011952774 170461585 /nfs/dbraw/zinc/46/15/85/170461585.db2.gz PIOIGPIWATYILU-UHFFFAOYSA-N 0 0 285.412 4.411 10 0 CIAERN CC(C)Cc1ccc([C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000012027002 170467472 /nfs/dbraw/zinc/46/74/72/170467472.db2.gz MRFLGSLMCCEKKL-OAHLLOKOSA-N 0 0 273.420 4.001 10 0 CIAERN Oc1ccc(C(=C2CCCC2)c2ccc(O)cc2)cc1 ZINC000013650257 170573452 /nfs/dbraw/zinc/57/34/52/170573452.db2.gz GIGYKXHGYNZBEN-UHFFFAOYSA-N 0 0 266.340 4.474 10 0 in-vivo CIAERN Cc1c(Cl)cc(OC(=O)c2ccco2)cc1Cl ZINC000014777403 170644861 /nfs/dbraw/zinc/64/48/61/170644861.db2.gz YUYSLZPUVCSZRV-UHFFFAOYSA-N 0 0 271.099 4.114 10 0 CIAERN CC(C)c1csc(NC(=O)/C=C/c2ccc(F)cc2)n1 ZINC000015203485 170659038 /nfs/dbraw/zinc/65/90/38/170659038.db2.gz WTROBFYXZJACLH-VMPITWQZSA-N 0 0 290.363 4.058 10 0 CIAERN Cc1ccc(/C=C/C(=O)Nc2ccccc2)cc1Cl ZINC000016027222 170685407 /nfs/dbraw/zinc/68/54/07/170685407.db2.gz GZNPQPZJEAGXFH-MDZDMXLPSA-N 0 0 271.747 4.300 10 0 CIAERN CC(C)[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000017055080 170724465 /nfs/dbraw/zinc/72/44/65/170724465.db2.gz GJGKFKBQEYGMHG-CQSZACIVSA-N 0 0 283.371 4.253 10 0 CIAERN Cc1cc(C)c(C(=O)Nc2ccc(Cl)c(N)c2)c(C)c1 ZINC000019276260 170769251 /nfs/dbraw/zinc/76/92/51/170769251.db2.gz NKUDKSSWGVSBMB-UHFFFAOYSA-N 0 0 288.778 4.100 10 0 CIAERN Cc1cccc(-c2cc(N)n(-c3ccc(C)cc3C)n2)c1 ZINC000019689119 170841331 /nfs/dbraw/zinc/84/13/31/170841331.db2.gz PLTGTVPMOGZPPE-UHFFFAOYSA-N 0 0 277.371 4.047 10 0 CIAERN CC(C)(C)OC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000019721511 170843386 /nfs/dbraw/zinc/84/33/86/170843386.db2.gz GOVDTEAGDIYDIQ-UHFFFAOYSA-N 0 0 299.208 4.068 10 0 CIAERN COc1ccccc1-c1[nH]c2ccccc2c1C(C)=O ZINC000019725005 170844993 /nfs/dbraw/zinc/84/49/93/170844993.db2.gz OJRZFPUSVJPRAT-UHFFFAOYSA-N 0 0 265.312 4.046 10 0 CIAERN C[C@H](Nc1ccccc1C(F)(F)F)c1ccco1 ZINC000019905212 170916921 /nfs/dbraw/zinc/91/69/21/170916921.db2.gz PFBJIQRVHNMVGB-VIFPVBQESA-N 0 0 255.239 4.472 10 0 CIAERN C[C@@H](Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000019907833 170919877 /nfs/dbraw/zinc/91/98/77/170919877.db2.gz MPYHHYCCSYSSHQ-SECBINFHSA-N 0 0 251.251 4.277 10 0 CIAERN C[C@@H]1C[C@@H]1c1ccc(CNc2cc(F)ccc2F)o1 ZINC000019907793 170919956 /nfs/dbraw/zinc/91/99/56/170919956.db2.gz CMQJFSWCOXTRJZ-SKDRFNHKSA-N 0 0 263.287 4.293 10 0 CIAERN C[C@@H]1C[C@H]1c1ccc(CNc2cc(F)ccc2F)o1 ZINC000019907795 170920117 /nfs/dbraw/zinc/92/01/17/170920117.db2.gz CMQJFSWCOXTRJZ-BXKDBHETSA-N 0 0 263.287 4.293 10 0 CIAERN c1ccc2c(c1)OCC[C@H]2Nc1ccc2c(c1)CCC2 ZINC000019913992 170923862 /nfs/dbraw/zinc/92/38/62/170923862.db2.gz ILGPALXRWPASCY-QGZVFWFLSA-N 0 0 265.356 4.111 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)OCCO3)s1 ZINC000019916320 170925543 /nfs/dbraw/zinc/92/55/43/170925543.db2.gz JMLVVBNMDNRCCX-LLVKDONJSA-N 0 0 275.373 4.001 10 0 CIAERN C[C@@H](Nc1ccccc1Br)c1cccc(O)c1 ZINC000019922777 170929641 /nfs/dbraw/zinc/92/96/41/170929641.db2.gz ZLWIGHWFRGRPQF-SNVBAGLBSA-N 0 0 292.176 4.328 10 0 CIAERN C[C@@H](Nc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000019942675 170934546 /nfs/dbraw/zinc/93/45/46/170934546.db2.gz XOIVFXLCJJTIBB-LLVKDONJSA-N 0 0 289.762 4.284 10 0 CIAERN COc1ccccc1[C@@H](C)Nc1cc(C)cc(C)c1 ZINC000019952697 170940015 /nfs/dbraw/zinc/94/00/15/170940015.db2.gz MRXQHKHWNZRHMC-CQSZACIVSA-N 0 0 255.361 4.485 10 0 CIAERN Cc1ccc(F)cc1N[C@H]1CCOc2ccccc21 ZINC000019953788 170940691 /nfs/dbraw/zinc/94/06/91/170940691.db2.gz XGYNVZZNUPYRKT-AWEZNQCLSA-N 0 0 257.308 4.070 10 0 CIAERN CC[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(C)cc1 ZINC000019966328 170947846 /nfs/dbraw/zinc/94/78/46/170947846.db2.gz NXWRLBIUGBMCCU-OAHLLOKOSA-N 0 0 269.344 4.287 10 0 CIAERN Cc1cccc(N[C@@H](C)CCc2ccc(O)cc2)c1C ZINC000019986401 170961064 /nfs/dbraw/zinc/96/10/64/170961064.db2.gz CBRVVGQWCGXBMS-AWEZNQCLSA-N 0 0 269.388 4.442 10 0 CIAERN CC[C@H](C)CNc1ccc(OC(F)F)c(Cl)c1 ZINC000020009796 170968606 /nfs/dbraw/zinc/96/86/06/170968606.db2.gz VSGXPLPXAZCNFJ-QMMMGPOBSA-N 0 0 263.715 4.399 10 0 CIAERN c1ccc(Oc2ccccc2NC[C@@H]2CCCO2)cc1 ZINC000020041620 170976072 /nfs/dbraw/zinc/97/60/72/170976072.db2.gz CACHXJJQYJKUGO-HNNXBMFYSA-N 0 0 269.344 4.070 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc3oc(C)nc3c2)o1 ZINC000020144073 171029637 /nfs/dbraw/zinc/02/96/37/171029637.db2.gz RQELPTDCMBBUEH-SNVBAGLBSA-N 0 0 256.305 4.211 10 0 CIAERN Cc1nc2cc(N[C@@H](C)c3cccs3)ccc2o1 ZINC000020144035 171029851 /nfs/dbraw/zinc/02/98/51/171029851.db2.gz XOWZMYDLVAFPMY-VIFPVBQESA-N 0 0 258.346 4.371 10 0 CIAERN Cc1ccc(F)cc1NCc1ccc2ccccc2n1 ZINC000020246306 171099150 /nfs/dbraw/zinc/09/91/50/171099150.db2.gz DFZRRLYDURTSDP-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN CCOc1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000020246206 171099598 /nfs/dbraw/zinc/09/95/98/171099598.db2.gz VSGQYMJQCJIQLV-UHFFFAOYSA-N 0 0 278.355 4.246 10 0 CIAERN Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1O ZINC000020247156 171100517 /nfs/dbraw/zinc/10/05/17/171100517.db2.gz FETDVJASQFNQHX-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN Cc1nc(CNc2ccccc2C(F)(F)F)cs1 ZINC000020252873 171105231 /nfs/dbraw/zinc/10/52/31/171105231.db2.gz UTSKTKQWGINMQA-UHFFFAOYSA-N 0 0 272.295 4.082 10 0 CIAERN CC(C)c1ccc(COc2ccccc2C=O)cc1 ZINC000020302709 171139443 /nfs/dbraw/zinc/13/94/43/171139443.db2.gz KPQMIGSUJOKZMA-UHFFFAOYSA-N 0 0 254.329 4.202 10 0 CIAERN Fc1ccc(F)c(Nc2nc3ccccc3s2)c1 ZINC000020303622 171140121 /nfs/dbraw/zinc/14/01/21/171140121.db2.gz IXWDBYKHBQXSLG-UHFFFAOYSA-N 0 0 262.284 4.318 10 0 CIAERN Nc1cccnc1Nc1ccc(Oc2ccccc2)cc1 ZINC000020317668 171147511 /nfs/dbraw/zinc/14/75/11/171147511.db2.gz XVBHJMPLASGEGY-UHFFFAOYSA-N 0 0 277.327 4.200 10 0 CIAERN CC(C)c1ccc(COc2ccc(N)cc2F)cc1 ZINC000020352207 171155993 /nfs/dbraw/zinc/15/59/93/171155993.db2.gz MUZSTMUKUHICAQ-UHFFFAOYSA-N 0 0 259.324 4.110 10 0 CIAERN CCC1CCC(Oc2ccc(N)cc2Cl)CC1 ZINC000020351988 171156120 /nfs/dbraw/zinc/15/61/20/171156120.db2.gz STPNNLMRIRCMCB-UHFFFAOYSA-N 0 0 253.773 4.270 10 0 CIAERN CCN(Cc1ccccc1)c1cccc(F)c1C(C)=O ZINC000020358815 171158099 /nfs/dbraw/zinc/15/80/99/171158099.db2.gz YKUHBSAKWMMLIG-UHFFFAOYSA-N 0 0 271.335 4.055 10 0 CIAERN CCCN(CCC)c1ccc(NC(=O)C(CC)CC)cn1 ZINC000020360357 171158675 /nfs/dbraw/zinc/15/86/75/171158675.db2.gz PAQPLJKDJVCIKT-UHFFFAOYSA-N 0 0 291.439 4.083 10 0 CIAERN CCOc1ccccc1CNc1ccc(F)cc1Cl ZINC000020361119 171159170 /nfs/dbraw/zinc/15/91/70/171159170.db2.gz BGICFBQRUIDSRB-UHFFFAOYSA-N 0 0 279.742 4.490 10 0 CIAERN Fc1cccc(F)c1NCc1cccc(Br)c1 ZINC000020361231 171159671 /nfs/dbraw/zinc/15/96/71/171159671.db2.gz RVLBHPKNDAMZJP-UHFFFAOYSA-N 0 0 298.130 4.339 10 0 CIAERN COc1ccc2oc(C(=O)c3cccs3)c(C)c2c1 ZINC000020362348 171160826 /nfs/dbraw/zinc/16/08/26/171160826.db2.gz APXPNALIMUHPBR-UHFFFAOYSA-N 0 0 272.325 4.042 10 0 CIAERN Cc1c2ccccc2oc1C(=O)c1ccccc1F ZINC000020362318 171160902 /nfs/dbraw/zinc/16/09/02/171160902.db2.gz PCQREUUOZTZETA-UHFFFAOYSA-N 0 0 254.260 4.111 10 0 CIAERN COc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1 ZINC000020362330 171161086 /nfs/dbraw/zinc/16/10/86/171161086.db2.gz HCAGVSWRPUXXOC-UHFFFAOYSA-N 0 0 280.323 4.289 10 0 CIAERN COc1ccc(CNc2ccc(F)cc2Cl)cc1 ZINC000020366774 171165403 /nfs/dbraw/zinc/16/54/03/171165403.db2.gz ZVTGKPFIHOOOBF-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN Cc1ccc2cc([C@H](N)c3ccc(Cl)cc3)oc2c1 ZINC000020389307 171178420 /nfs/dbraw/zinc/17/84/20/171178420.db2.gz ZKXYUPPUYOWCHJ-MRXNPFEDSA-N 0 0 271.747 4.443 10 0 CIAERN CCc1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000020427065 171192827 /nfs/dbraw/zinc/19/28/27/171192827.db2.gz LOVURMKVNOAPKQ-UHFFFAOYSA-N 0 0 295.411 4.122 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1ccc(F)cc1Br ZINC000020430267 171195297 /nfs/dbraw/zinc/19/52/97/171195297.db2.gz JEMDASJMOXVGBR-BDAKNGLRSA-N 0 0 274.177 4.435 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1Br)c1ccncc1 ZINC000020430524 171195690 /nfs/dbraw/zinc/19/56/90/171195690.db2.gz YAQIAMVTIAFGPQ-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN Oc1ccc(-c2nc3c(s2)CCCCCC3)cc1 ZINC000020432957 171197800 /nfs/dbraw/zinc/19/78/00/171197800.db2.gz RSPKWIKTYYBOLD-UHFFFAOYSA-N 0 0 259.374 4.175 10 0 CIAERN CC[C@H]1CCc2nc(-c3ccc(O)cc3)sc2C1 ZINC000020432960 171197807 /nfs/dbraw/zinc/19/78/07/171197807.db2.gz CNEQFKOJKHMTJR-JTQLQIEISA-N 0 0 259.374 4.031 10 0 CIAERN Cc1cc([C@@H](C)Nc2cc(F)cc(F)c2)c(C)o1 ZINC000020438376 171203114 /nfs/dbraw/zinc/20/31/14/171203114.db2.gz WBPRTYSJGXMURF-SECBINFHSA-N 0 0 251.276 4.348 10 0 CIAERN Cc1ccc(Oc2nc3ccccc3cc2C=O)cc1 ZINC000020445025 171206174 /nfs/dbraw/zinc/20/61/74/171206174.db2.gz ABFCLVKAHOXMTE-UHFFFAOYSA-N 0 0 263.296 4.148 10 0 CIAERN Cc1ccc(CNc2cccc(Cl)c2F)s1 ZINC000020472112 171215236 /nfs/dbraw/zinc/21/52/36/171215236.db2.gz OAAUHCUQDWBPGK-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN CCCOc1ccc(Oc2ccc(C=O)cc2)cc1 ZINC000020473954 171218084 /nfs/dbraw/zinc/21/80/84/171218084.db2.gz BDQCXIKGPBAHMW-UHFFFAOYSA-N 0 0 256.301 4.080 10 0 CIAERN Clc1cc(Cl)c(NC[C@H]2CCCO2)c(Cl)c1 ZINC000020505401 171228178 /nfs/dbraw/zinc/22/81/78/171228178.db2.gz PBIXJIMKQPOHLX-MRVPVSSYSA-N 0 0 280.582 4.238 10 0 CIAERN C[C@@H]1CC=CC[C@H]1COc1cccc(Cl)c1C=O ZINC000020519339 171233418 /nfs/dbraw/zinc/23/34/18/171233418.db2.gz VESMIGJZWUXOSW-NEPJUHHUSA-N 0 0 264.752 4.134 10 0 CIAERN CCCCCC[C@H](C)Nc1ccc(OC)c(OC)c1 ZINC000020519986 171234149 /nfs/dbraw/zinc/23/41/49/171234149.db2.gz JOLMADISUKRXAH-ZDUSSCGKSA-N 0 0 265.397 4.475 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cc(Cl)ccc1C ZINC000020524139 171237202 /nfs/dbraw/zinc/23/72/02/171237202.db2.gz VXVRGUFHYDLDTQ-NSHDSACASA-N 0 0 255.789 4.264 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccccc1C(F)(F)F ZINC000020524238 171237379 /nfs/dbraw/zinc/23/73/79/171237379.db2.gz JBFHXSBDMCUJJH-SNVBAGLBSA-N 0 0 275.314 4.321 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cccc(SC)c1 ZINC000020524193 171237381 /nfs/dbraw/zinc/23/73/81/171237381.db2.gz QPFLBSOJFBPSOG-NSHDSACASA-N 0 0 253.411 4.024 10 0 CIAERN Fc1ccc(N[C@@H]2CCCc3ccccc32)cc1F ZINC000020550400 171246953 /nfs/dbraw/zinc/24/69/53/171246953.db2.gz YFLIIQIJZIZBKS-MRXNPFEDSA-N 0 0 259.299 4.454 10 0 CIAERN Cc1c(Cl)cccc1NCc1cnn(-c2ccccc2)c1 ZINC000020552670 171247732 /nfs/dbraw/zinc/24/77/32/171247732.db2.gz VBQDHZZKKLEYEC-UHFFFAOYSA-N 0 0 297.789 4.446 10 0 CIAERN C[C@@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000020552773 171248405 /nfs/dbraw/zinc/24/84/05/171248405.db2.gz VIUGALRMFQNMTM-BXKDBHETSA-N 0 0 273.298 4.245 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1cccc(Br)c1 ZINC000020553886 171249186 /nfs/dbraw/zinc/24/91/86/171249186.db2.gz PPIHFNOZDNKQDM-UWVGGRQHSA-N 0 0 256.187 4.296 10 0 CIAERN Cc1ccc(N[C@H](C)CCc2ccc(O)cc2)cc1F ZINC000020561238 171251907 /nfs/dbraw/zinc/25/19/07/171251907.db2.gz JGHXICKOZSJJFE-CYBMUJFWSA-N 0 0 273.351 4.273 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(Br)cc1N ZINC000020562138 171252274 /nfs/dbraw/zinc/25/22/74/171252274.db2.gz YHIQROHFOUCDKR-MFKMUULPSA-N 0 0 298.224 4.379 10 0 CIAERN Nc1ccc(Cl)cc1-c1nc(C2CCCCC2)no1 ZINC000020564067 171253237 /nfs/dbraw/zinc/25/32/37/171253237.db2.gz JXLSIDCJHCZSRG-UHFFFAOYSA-N 0 0 277.755 4.020 10 0 CIAERN CC(=O)c1ccc(O[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000020564374 171253407 /nfs/dbraw/zinc/25/34/07/171253407.db2.gz ZPQXQPDNAQJHQE-QGZVFWFLSA-N 0 0 284.330 4.485 10 0 CIAERN Cc1ccc(OCc2cccc(N)c2)c(C(C)(C)C)c1 ZINC000020567368 171255306 /nfs/dbraw/zinc/25/53/06/171255306.db2.gz VOUNPXQQPURSKC-UHFFFAOYSA-N 0 0 269.388 4.454 10 0 CIAERN C[C@H](n1cc[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020581166 171257124 /nfs/dbraw/zinc/25/71/24/171257124.db2.gz ILTKWRRYTKTJIH-OWWVKFPZSA-N 0 0 262.422 4.323 10 0 CIAERN CCOc1ccc(Nc2c(N)cccc2Cl)cc1 ZINC000020584777 171258137 /nfs/dbraw/zinc/25/81/37/171258137.db2.gz WJXFEJBLAURUIP-UHFFFAOYSA-N 0 0 262.740 4.065 10 0 CIAERN CCOc1ccc(Nc2ccc(Cl)cc2N)cc1 ZINC000020584786 171258322 /nfs/dbraw/zinc/25/83/22/171258322.db2.gz WOQJBVAPWPOVCV-UHFFFAOYSA-N 0 0 262.740 4.065 10 0 CIAERN Nc1cc(Br)ccc1Nc1cc(F)ccc1F ZINC000020585196 171258544 /nfs/dbraw/zinc/25/85/44/171258544.db2.gz RQQRJLPJWIWUHX-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Nc1ccc(Nc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000020585344 171258788 /nfs/dbraw/zinc/25/87/88/171258788.db2.gz FKPPJNFROZWCEA-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Cc1ccc(Nc2c(N)cccc2Cl)cc1F ZINC000020585653 171259083 /nfs/dbraw/zinc/25/90/83/171259083.db2.gz CABJZJZUFFXAQX-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)o1 ZINC000020592610 171262046 /nfs/dbraw/zinc/26/20/46/171262046.db2.gz GCJAPEHMNUYYHC-UHFFFAOYSA-N 0 0 260.676 4.219 10 0 CIAERN N[C@@H](c1cc2cc(Cl)cc(Cl)c2o1)c1ccccn1 ZINC000020593093 171262675 /nfs/dbraw/zinc/26/26/75/171262675.db2.gz OUOYUEWMZJTLGQ-CYBMUJFWSA-N 0 0 293.153 4.183 10 0 CIAERN CC(=O)[C@@H]1C[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000020594336 171263304 /nfs/dbraw/zinc/26/33/04/171263304.db2.gz RWAVHIKVDLBQDO-IRXDYDNUSA-N 0 0 252.313 4.171 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ncnc3sc(C)c(C)c32)o1 ZINC000020669741 171269434 /nfs/dbraw/zinc/26/94/34/171269434.db2.gz JUGGHRYLJMIHHR-SNVBAGLBSA-N 0 0 287.388 4.383 10 0 CIAERN COc1ccc(Cl)cc1-c1nc2cc(C)ccc2[nH]1 ZINC000021005462 171285019 /nfs/dbraw/zinc/28/50/19/171285019.db2.gz IWLYWKKUZINUPU-UHFFFAOYSA-N 0 0 272.735 4.200 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1ccc(OC(F)F)cc1 ZINC000021011872 171287477 /nfs/dbraw/zinc/28/74/77/171287477.db2.gz PBBILEZTBDQJDX-GWCFXTLKSA-N 0 0 255.308 4.279 10 0 CIAERN Cc1ccc(OCc2ccccc2N)c(C(C)(C)C)c1 ZINC000021014792 171289223 /nfs/dbraw/zinc/28/92/23/171289223.db2.gz CRQTTXGBZDXASY-UHFFFAOYSA-N 0 0 269.388 4.454 10 0 CIAERN FC(F)Oc1ccc(NC2CCCCCC2)cc1 ZINC000021031288 171292104 /nfs/dbraw/zinc/29/21/04/171292104.db2.gz FQUAKLPOSWASKZ-UHFFFAOYSA-N 0 0 255.308 4.423 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1ccccc1Br ZINC000021042686 171293688 /nfs/dbraw/zinc/29/36/88/171293688.db2.gz SKNZWLPILUCFJV-ZJUUUORDSA-N 0 0 256.187 4.296 10 0 CIAERN CC(=O)c1cc(F)ccc1O[C@@H]1CCCc2ccccc21 ZINC000021045187 171293992 /nfs/dbraw/zinc/29/39/92/171293992.db2.gz RAYCIHGRKWJHCF-QGZVFWFLSA-N 0 0 284.330 4.485 10 0 CIAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(F)c(F)c1 ZINC000021052420 171295172 /nfs/dbraw/zinc/29/51/72/171295172.db2.gz LNQUBATXQCEWFI-KRWDZBQOSA-N 0 0 289.325 4.463 10 0 CIAERN NC(=S)c1ccc(Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021499539 171304452 /nfs/dbraw/zinc/30/44/52/171304452.db2.gz CTEJXVZFWKATEA-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN Cc1ccc(N[C@H](C)CCc2ccc(O)cc2)cc1C ZINC000021500784 171305265 /nfs/dbraw/zinc/30/52/65/171305265.db2.gz BICLBVUZZZEFKA-OAHLLOKOSA-N 0 0 269.388 4.442 10 0 CIAERN Cc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1O ZINC000021500898 171305334 /nfs/dbraw/zinc/30/53/34/171305334.db2.gz WGBVXLVBEINLAZ-UHFFFAOYSA-N 0 0 283.371 4.250 10 0 CIAERN COc1ccc(C)cc1N[C@@H](C)CCc1ccccc1 ZINC000021502367 171305837 /nfs/dbraw/zinc/30/58/37/171305837.db2.gz KLRBKBPGZUSXNP-HNNXBMFYSA-N 0 0 269.388 4.437 10 0 CIAERN CC(C)(C)c1nc2cc(NCc3ccccc3)ccc2[nH]1 ZINC000021502697 171306427 /nfs/dbraw/zinc/30/64/27/171306427.db2.gz IEFDUWFMFXMJKD-UHFFFAOYSA-N 0 0 279.387 4.473 10 0 CIAERN FC(F)(F)Oc1ccccc1NC1CCCCC1 ZINC000021503643 171307008 /nfs/dbraw/zinc/30/70/08/171307008.db2.gz DJDAYWJBFADGEP-UHFFFAOYSA-N 0 0 259.271 4.330 10 0 CIAERN Cc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1O ZINC000021506637 171308200 /nfs/dbraw/zinc/30/82/00/171308200.db2.gz UPWRIYBXHRZCJO-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1cccc(Br)c1 ZINC000021509153 171309348 /nfs/dbraw/zinc/30/93/48/171309348.db2.gz VCJWSAGQSWIUSN-MFKMUULPSA-N 0 0 268.198 4.440 10 0 CIAERN CCCc1ccc(NCc2ccc(OC)cc2)cc1 ZINC000021511665 171310532 /nfs/dbraw/zinc/31/05/32/171310532.db2.gz FTCNODNRPABPAX-UHFFFAOYSA-N 0 0 255.361 4.260 10 0 CIAERN CC[C@H](C)C[C@H](CC)Nc1cc(OC)cc(OC)c1 ZINC000021516238 171312592 /nfs/dbraw/zinc/31/25/92/171312592.db2.gz CSIIUECDVAUVQN-STQMWFEESA-N 0 0 265.397 4.331 10 0 CIAERN COc1cc(N[C@H](C)CC(C)C)c(OC)cc1Cl ZINC000021516368 171312923 /nfs/dbraw/zinc/31/29/23/171312923.db2.gz GCSAFNXCBQYERF-SNVBAGLBSA-N 0 0 271.788 4.204 10 0 CIAERN CCN(c1ccc(N)c(C(F)(F)F)c1)C1CCCCC1 ZINC000021517823 171314203 /nfs/dbraw/zinc/31/42/03/171314203.db2.gz BJCNOVJXONVITG-UHFFFAOYSA-N 0 0 286.341 4.447 10 0 CIAERN CCOc1ccccc1NC[C@@H](C)c1ccccc1 ZINC000021788582 171323185 /nfs/dbraw/zinc/32/31/85/171323185.db2.gz ILNZPLMTBSREJH-CQSZACIVSA-N 0 0 255.361 4.301 10 0 CIAERN C[C@@H](CNc1ccc(F)c(F)c1F)c1ccccc1 ZINC000021791483 171324287 /nfs/dbraw/zinc/32/42/87/171324287.db2.gz MKOGLKPYSMKHHD-JTQLQIEISA-N 0 0 265.278 4.320 10 0 CIAERN Fc1cc(Br)ccc1NC[C@@H]1CC=CCC1 ZINC000021802429 171326410 /nfs/dbraw/zinc/32/64/10/171326410.db2.gz HPSXGMTWNPZPGI-SNVBAGLBSA-N 0 0 284.172 4.356 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000021803592 171326868 /nfs/dbraw/zinc/32/68/68/171326868.db2.gz ZXQUYWCCLLWIIS-UHFFFAOYSA-N 0 0 264.683 4.474 10 0 CIAERN COc1cc(OC)c(N[C@H]2CCCC[C@@H]2C)cc1Cl ZINC000021806861 171328031 /nfs/dbraw/zinc/32/80/31/171328031.db2.gz BHDVLWAVJWOKTO-JQWIXIFHSA-N 0 0 283.799 4.348 10 0 CIAERN CCCC(CCC)Nc1ccc(OC)cc1OC ZINC000021810592 171328829 /nfs/dbraw/zinc/32/88/29/171328829.db2.gz YPZTYCUPVFRQFO-UHFFFAOYSA-N 0 0 251.370 4.085 10 0 CIAERN CCC(C)(C)C1CCC(Nc2ccc(OC)nc2)CC1 ZINC000021811309 171329180 /nfs/dbraw/zinc/32/91/80/171329180.db2.gz UJDUMGMPOPTBKV-UHFFFAOYSA-N 0 0 276.424 4.497 10 0 CIAERN COc1ccc(Sc2ccc(N)c(C(F)(F)F)c2)cc1 ZINC000021812883 171329962 /nfs/dbraw/zinc/32/99/62/171329962.db2.gz AOZNLAMHGYWOIX-UHFFFAOYSA-N 0 0 299.317 4.447 10 0 CIAERN Nc1cccc(Cn2c3ccccc3c3ccccc32)c1 ZINC000021812943 171330211 /nfs/dbraw/zinc/33/02/11/171330211.db2.gz UROGLIBYGUGYEY-UHFFFAOYSA-N 0 0 272.351 4.425 10 0 CIAERN CCC(CC)Nc1ccc(Br)cc1C ZINC000021812806 171330269 /nfs/dbraw/zinc/33/02/69/171330269.db2.gz OETLQCVWONCEPS-UHFFFAOYSA-N 0 0 256.187 4.358 10 0 CIAERN CCc1ccc(Oc2ccc(C(C)=O)cc2F)cc1 ZINC000021813500 171330760 /nfs/dbraw/zinc/33/07/60/171330760.db2.gz UXCCAOCWXVKCPQ-UHFFFAOYSA-N 0 0 258.292 4.383 10 0 CIAERN Cc1ccc(CNc2cccc3cccnc32)c(C)c1 ZINC000021814900 171331599 /nfs/dbraw/zinc/33/15/99/171331599.db2.gz DEHBQRDVEKMKPT-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(Cl)cc1N ZINC000021816892 171332994 /nfs/dbraw/zinc/33/29/94/171332994.db2.gz HHLVCNCSIPVXSK-GWCFXTLKSA-N 0 0 253.773 4.270 10 0 CIAERN CC(C)c1ccc(NC(=O)c2cc(Cl)ccc2N)cc1 ZINC000021817473 171333157 /nfs/dbraw/zinc/33/31/57/171333157.db2.gz SGBUQTVIOLYMTF-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2ccc3ccccc3c2)o1 ZINC000021839558 171335008 /nfs/dbraw/zinc/33/50/08/171335008.db2.gz NTHFETNDJMXKFY-CYBMUJFWSA-N 0 0 279.339 4.232 10 0 CIAERN COC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000021991063 171346918 /nfs/dbraw/zinc/34/69/18/171346918.db2.gz CQAMVWGOEKFCAA-UHFFFAOYSA-N 0 0 271.099 4.040 10 0 CIAERN Nc1ncc(Cc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000022151145 171358692 /nfs/dbraw/zinc/35/86/92/171358692.db2.gz RGRLNESMDCTIMP-UHFFFAOYSA-N 0 0 293.606 4.276 10 0 CIAERN Cc1ccsc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000023954745 171428263 /nfs/dbraw/zinc/42/82/63/171428263.db2.gz NMZNYZNFKGNHPS-CYBMUJFWSA-N 0 0 299.439 4.426 10 0 CIAERN O=C(NC1CCCCC1)c1ccccc1Nc1ccccc1 ZINC000024045746 171430724 /nfs/dbraw/zinc/43/07/24/171430724.db2.gz XOORXQIOBXWIPB-UHFFFAOYSA-N 0 0 294.398 4.493 10 0 CIAERN Nc1nc(-c2ccccc2)ncc1-c1cccc(Cl)c1 ZINC000026465776 171485449 /nfs/dbraw/zinc/48/54/49/171485449.db2.gz VGJKBUYNBVSNBB-UHFFFAOYSA-N 0 0 281.746 4.046 10 0 CIAERN CC(C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000027414174 171516918 /nfs/dbraw/zinc/51/69/18/171516918.db2.gz GDNWDNWXIICJGY-CYBMUJFWSA-N 0 0 255.361 4.063 10 0 CIAERN Nc1ccc(SCCOc2ccccc2Cl)cc1 ZINC000032126458 171713946 /nfs/dbraw/zinc/71/39/46/171713946.db2.gz GOFZFZLRFBUZFC-UHFFFAOYSA-N 0 0 279.792 4.093 10 0 CIAERN O[C@H](CNc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000032128204 171713965 /nfs/dbraw/zinc/71/39/65/171713965.db2.gz DIGOMCIGRINQTL-CQSZACIVSA-N 0 0 282.170 4.139 10 0 CIAERN Cc1nnc(N[C@H](C)c2ccccc2)c2ccccc12 ZINC000032830567 171754341 /nfs/dbraw/zinc/75/43/41/171754341.db2.gz UMBFDUOHQNGNNX-GFCCVEGCSA-N 0 0 263.344 4.111 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cc3ccccn3c2)c(C)c1 ZINC000033138717 171771997 /nfs/dbraw/zinc/77/19/97/171771997.db2.gz PUPDKHDLKLWHTQ-HNNXBMFYSA-N 0 0 292.382 4.047 10 0 CIAERN CCN(CC)c1ccc(NC(=O)/C=C\c2ccc(C)o2)cc1 ZINC000033316648 171782354 /nfs/dbraw/zinc/78/23/54/171782354.db2.gz QCKUZDLCNPURPM-SEYXRHQNSA-N 0 0 298.386 4.086 10 0 CIAERN CCCCCNc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000033494784 171807315 /nfs/dbraw/zinc/80/73/15/171807315.db2.gz QHOWKJHDBOKOGD-UHFFFAOYSA-N 0 0 290.190 4.382 10 0 CIAERN CCCCn1c2ccccc2c2cc(C=O)ccc21 ZINC000033605556 171814629 /nfs/dbraw/zinc/81/46/29/171814629.db2.gz MNLZGFHCFGWITO-UHFFFAOYSA-N 0 0 251.329 4.407 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000033702937 171818236 /nfs/dbraw/zinc/81/82/36/171818236.db2.gz HDPGFHMOTWDNIO-ZDUSSCGKSA-N 0 0 256.370 4.359 10 0 CIAERN Clc1cccc(OCc2ccc3ccccc3n2)c1 ZINC000034225371 171835189 /nfs/dbraw/zinc/83/51/89/171835189.db2.gz JHIUTASCUYWDBV-UHFFFAOYSA-N 0 0 269.731 4.467 10 0 CIAERN Nc1nc(-c2ccc(-c3cccs3)s2)cs1 ZINC000034355918 171837712 /nfs/dbraw/zinc/83/77/12/171837712.db2.gz WSPQLGQHKLTNJO-UHFFFAOYSA-N 0 0 264.400 4.182 10 0 CIAERN CC(C)(C)c1cc(C=O)ccc1OCc1ccccc1 ZINC000034362965 171837760 /nfs/dbraw/zinc/83/77/60/171837760.db2.gz CJDIJPQOXKSHME-UHFFFAOYSA-N 0 0 268.356 4.376 10 0 CIAERN O=C(Cc1nc2ccccc2s1)c1ccccc1Cl ZINC000034940285 171899886 /nfs/dbraw/zinc/89/98/86/171899886.db2.gz RTFIRZBPOKIAET-UHFFFAOYSA-N 0 0 287.771 4.375 10 0 CIAERN CC(=O)c1oc2c(cc(C)cc2Br)c1C ZINC000034975051 171910598 /nfs/dbraw/zinc/91/05/98/171910598.db2.gz LAYIWKRRXUKIFQ-UHFFFAOYSA-N 0 0 267.122 4.015 10 0 CIAERN Cc1noc(C)c1CN[C@H](c1cccs1)c1ccccc1 ZINC000035012280 171929877 /nfs/dbraw/zinc/92/98/77/171929877.db2.gz LCJPTQUCGVUEKY-KRWDZBQOSA-N 0 0 298.411 4.232 10 0 CIAERN C[C@H](Nc1ncc(Cl)cc1Cl)c1ccco1 ZINC000035135103 172002501 /nfs/dbraw/zinc/00/25/01/172002501.db2.gz ONBXWSIAWPEELJ-ZETCQYMHSA-N 0 0 257.120 4.155 10 0 CIAERN CCCCCCC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000035160089 172018594 /nfs/dbraw/zinc/01/85/94/172018594.db2.gz YSUIHNYVRLHYFJ-UHFFFAOYSA-N 0 0 297.420 4.142 10 0 CIAERN C=CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000035160161 172018679 /nfs/dbraw/zinc/01/86/79/172018679.db2.gz WPNHHIBPJOEECU-UHFFFAOYSA-N 0 0 299.182 4.241 10 0 CIAERN Cc1ccc(C(C)(C)C)c(OCc2nnsc2Cl)c1 ZINC000035163600 172024386 /nfs/dbraw/zinc/02/43/86/172024386.db2.gz YFIZSJGUTNOGST-UHFFFAOYSA-N 0 0 296.823 4.376 10 0 CIAERN Cc1cc(C(C)(C)C)ccc1OCc1nnsc1Cl ZINC000035163616 172024865 /nfs/dbraw/zinc/02/48/65/172024865.db2.gz GHHZWOBXZCNCSL-UHFFFAOYSA-N 0 0 296.823 4.376 10 0 CIAERN COc1ccc(Cl)cc1CNc1c(F)cccc1F ZINC000035180065 172033729 /nfs/dbraw/zinc/03/37/29/172033729.db2.gz MSQFXCYKNSVVOS-UHFFFAOYSA-N 0 0 283.705 4.239 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Sc2ccc(F)cc2)cc1 ZINC000035181502 172035293 /nfs/dbraw/zinc/03/52/93/172035293.db2.gz FQCWFZZONHLYET-GFCCVEGCSA-N 0 0 274.360 4.498 10 0 CIAERN Cc1cc(OCC(=O)c2cccs2)ccc1C(C)C ZINC000035182074 172035363 /nfs/dbraw/zinc/03/53/63/172035363.db2.gz QZCJSVAAOCAMCY-UHFFFAOYSA-N 0 0 274.385 4.442 10 0 CIAERN CC(C)c1ccc(OCC(=O)c2ccccc2F)cc1 ZINC000035181888 172035392 /nfs/dbraw/zinc/03/53/92/172035392.db2.gz AQMWJTDVFFCIOV-UHFFFAOYSA-N 0 0 272.319 4.211 10 0 CIAERN Cc1ccc(C(=O)COc2ccc3c(c2)CCC3)cc1C ZINC000035181754 172035478 /nfs/dbraw/zinc/03/54/78/172035478.db2.gz JMJGUJALDUCQIK-UHFFFAOYSA-N 0 0 280.367 4.054 10 0 CIAERN Cc1ccc(C(C)C)c(OCC(=O)c2ccccc2)c1 ZINC000035182057 172035480 /nfs/dbraw/zinc/03/54/80/172035480.db2.gz PUKFCPXZPQFCBL-UHFFFAOYSA-N 0 0 268.356 4.380 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)Sc2ccccc2F)cc1 ZINC000035181951 172035697 /nfs/dbraw/zinc/03/56/97/172035697.db2.gz NHTPFMRVNRVXGG-LBPRGKRZSA-N 0 0 274.360 4.498 10 0 CIAERN CC(C)c1ccc(O[C@@H](C)C(=O)c2ccccc2)cc1 ZINC000035181854 172035732 /nfs/dbraw/zinc/03/57/32/172035732.db2.gz JXLWGOIPEYNLAV-AWEZNQCLSA-N 0 0 268.356 4.460 10 0 CIAERN CCc1ccccc1O[C@H](C)C(=O)c1ccc(C)cc1 ZINC000035182440 172036460 /nfs/dbraw/zinc/03/64/60/172036460.db2.gz XDXUTSQJVJOXJQ-CQSZACIVSA-N 0 0 268.356 4.208 10 0 CIAERN CCc1ccc(OCC(=O)c2ccccc2Cl)cc1 ZINC000035182872 172036529 /nfs/dbraw/zinc/03/65/29/172036529.db2.gz MPTUWHFVACKNDC-UHFFFAOYSA-N 0 0 274.747 4.164 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000035183646 172036604 /nfs/dbraw/zinc/03/66/04/172036604.db2.gz DDHPVJPVDACSQA-LBPRGKRZSA-N 0 0 274.747 4.299 10 0 CIAERN C[C@H](Oc1ccccc1F)C(=O)c1ccc(Cl)cc1 ZINC000035183533 172036804 /nfs/dbraw/zinc/03/68/04/172036804.db2.gz AVVFKDFIJYIMJD-JTQLQIEISA-N 0 0 278.710 4.129 10 0 CIAERN C[C@@H](SCc1ccco1)C(=O)c1ccc(Cl)cc1 ZINC000035183420 172037022 /nfs/dbraw/zinc/03/70/22/172037022.db2.gz MXWPNIONZBVJOD-SNVBAGLBSA-N 0 0 280.776 4.438 10 0 CIAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000035183647 172037041 /nfs/dbraw/zinc/03/70/41/172037041.db2.gz DDHPVJPVDACSQA-GFCCVEGCSA-N 0 0 274.747 4.299 10 0 CIAERN C[C@@H](Oc1ccccc1F)C(=O)c1cccc(Cl)c1 ZINC000035183532 172037065 /nfs/dbraw/zinc/03/70/65/172037065.db2.gz AVZFMSVREJDPNU-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN Cc1cc(C)c(C(=O)COc2cccc(F)c2)cc1C ZINC000035184070 172037278 /nfs/dbraw/zinc/03/72/78/172037278.db2.gz IPRIDEGJKVZCIV-UHFFFAOYSA-N 0 0 272.319 4.013 10 0 CIAERN Cc1ccccc1OCC(=O)c1cc2ccccc2o1 ZINC000035183806 172037313 /nfs/dbraw/zinc/03/73/13/172037313.db2.gz QYFPIDPJDKRKMH-UHFFFAOYSA-N 0 0 266.296 4.003 10 0 CIAERN Cc1cc(C)c(C(=O)COc2ccc(F)cc2)cc1C ZINC000035183821 172037419 /nfs/dbraw/zinc/03/74/19/172037419.db2.gz QYMMRVKNUCMQNI-UHFFFAOYSA-N 0 0 272.319 4.013 10 0 CIAERN O=C(COc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000035184111 172037434 /nfs/dbraw/zinc/03/74/34/172037434.db2.gz YPWOTFDWMWRVMY-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN CC(C)c1ccc(C(=O)COc2ccccc2)cc1 ZINC000035183926 172037519 /nfs/dbraw/zinc/03/75/19/172037519.db2.gz MMZYOZUVTIJKRS-UHFFFAOYSA-N 0 0 254.329 4.072 10 0 CIAERN CC(C)(C)c1cccc(OCC(=O)c2ccc(F)cc2)c1 ZINC000035184380 172038112 /nfs/dbraw/zinc/03/81/12/172038112.db2.gz YBKHHIYFTFDUTK-UHFFFAOYSA-N 0 0 286.346 4.385 10 0 CIAERN C[C@H](Oc1ccc2ccccc2c1)C(=O)c1ccccc1 ZINC000035184262 172038282 /nfs/dbraw/zinc/03/82/82/172038282.db2.gz OBAOKUIBLZUNNE-AWEZNQCLSA-N 0 0 276.335 4.490 10 0 CIAERN Cc1cc(C)nc(N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000035206287 172050327 /nfs/dbraw/zinc/05/03/27/172050327.db2.gz YVTCKFSGZBBCMQ-ZZFFKQLHSA-N 0 0 285.435 4.110 10 0 CIAERN COc1cc(Cl)c(NCc2ccccc2F)cc1OC ZINC000035222768 172066301 /nfs/dbraw/zinc/06/63/01/172066301.db2.gz VMMUGRHBZASVMV-UHFFFAOYSA-N 0 0 295.741 4.108 10 0 CIAERN Clc1ccccc1CNc1cc2c(cc1Cl)OCO2 ZINC000035229651 172070155 /nfs/dbraw/zinc/07/01/55/172070155.db2.gz DXGHJNFHIJLOTO-UHFFFAOYSA-N 0 0 296.153 4.334 10 0 CIAERN Cc1cc(Nc2ccc(Br)c(C)c2)ccc1N ZINC000035277977 172097308 /nfs/dbraw/zinc/09/73/08/172097308.db2.gz SGYXPOLHYSLPOB-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Cc1ccc(Nc2ccc(N)c(C)c2)c(Br)c1 ZINC000035277894 172097527 /nfs/dbraw/zinc/09/75/27/172097527.db2.gz APSBWMAJEIGIPG-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Cc1cc(Sc2ccc(Br)cc2)ccc1N ZINC000035278650 172097564 /nfs/dbraw/zinc/09/75/64/172097564.db2.gz VMQKYNODXOCRPY-UHFFFAOYSA-N 0 0 294.217 4.491 10 0 CIAERN Cc1cc(Nc2cc(Cl)ccc2F)ccc1N ZINC000035283916 172102106 /nfs/dbraw/zinc/10/21/06/172102106.db2.gz XMJCSZUFVWDIPD-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cc(Cl)ccc1F ZINC000035283943 172102282 /nfs/dbraw/zinc/10/22/82/172102282.db2.gz XGHLVPKHVRDYEJ-VIFPVBQESA-N 0 0 259.752 4.095 10 0 CIAERN C[C@H](Nc1cc(Cl)ccc1F)c1ccncc1 ZINC000035284361 172102459 /nfs/dbraw/zinc/10/24/59/172102459.db2.gz JRLVLUKRGHJECF-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN Cc1nc2cc(Sc3ccc(F)cc3)c(N)cc2s1 ZINC000035343050 172135473 /nfs/dbraw/zinc/13/54/73/172135473.db2.gz RYVUMOKZHUBGKD-UHFFFAOYSA-N 0 0 290.388 4.477 10 0 CIAERN CCN(c1ccc2scnc2c1N)C1CCCCC1 ZINC000035344173 172136555 /nfs/dbraw/zinc/13/65/55/172136555.db2.gz SMNSNSLNZCXWDN-UHFFFAOYSA-N 0 0 275.421 4.038 10 0 CIAERN O=C(c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000035368782 172160528 /nfs/dbraw/zinc/16/05/28/172160528.db2.gz GWGGCOQYUXBFNA-UHFFFAOYSA-N 0 0 256.370 4.248 10 0 CIAERN Cc1cc(C(=O)c2csc3ccccc23)c(C)o1 ZINC000035369410 172160794 /nfs/dbraw/zinc/16/07/94/172160794.db2.gz VSFUCGLNDWZHOK-UHFFFAOYSA-N 0 0 256.326 4.342 10 0 CIAERN Cc1ccsc1C(=O)c1ccc(OC(C)C)cc1 ZINC000035369228 172160834 /nfs/dbraw/zinc/16/08/34/172160834.db2.gz KVRYVFWYZXRAFM-UHFFFAOYSA-N 0 0 260.358 4.075 10 0 CIAERN Cc1ccsc1C(=O)c1c[nH]c2cccc(C)c21 ZINC000035369708 172161553 /nfs/dbraw/zinc/16/15/53/172161553.db2.gz VPJMQGJRIWKNES-UHFFFAOYSA-N 0 0 255.342 4.077 10 0 CIAERN Cc1occc1C(=O)c1cc(Cl)sc1Cl ZINC000035379373 172162180 /nfs/dbraw/zinc/16/21/80/172162180.db2.gz RINZBSRSEIMHEH-UHFFFAOYSA-N 0 0 261.129 4.187 10 0 CIAERN O=C(c1cccs1)c1cc(Cl)sc1Cl ZINC000035379375 172162550 /nfs/dbraw/zinc/16/25/50/172162550.db2.gz WXSJCXCUNRLCHE-UHFFFAOYSA-N 0 0 263.170 4.347 10 0 CIAERN CN[C@H](c1ccc(F)cc1F)c1c(F)cccc1Cl ZINC000035492162 172226559 /nfs/dbraw/zinc/22/65/59/172226559.db2.gz QXKDZISGVNQAJU-CQSZACIVSA-N 0 0 285.696 4.066 10 0 CIAERN CCN[C@@H](c1ccc(CC)s1)C(F)(F)C(F)(F)F ZINC000035537330 172244404 /nfs/dbraw/zinc/24/44/04/172244404.db2.gz BWAURDLZXVURAZ-VIFPVBQESA-N 0 0 287.297 4.159 10 0 CIAERN CCN[C@@H](c1csc2ccccc12)C(F)(F)F ZINC000035554948 172261045 /nfs/dbraw/zinc/26/10/45/172261045.db2.gz ACCDQKBVLPNLEE-NSHDSACASA-N 0 0 259.296 4.114 10 0 CIAERN CCN[C@@H](c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000035558710 172264329 /nfs/dbraw/zinc/26/43/29/172264329.db2.gz PZPGKZCKKDHOPI-VIFPVBQESA-N 0 0 272.097 4.206 10 0 CIAERN CCCN[C@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035580754 172276481 /nfs/dbraw/zinc/27/64/81/172276481.db2.gz ZGKHHJXZZUMWAW-CQSZACIVSA-N 0 0 285.334 4.254 10 0 CIAERN CCCN[C@H](c1c(C)cc(C)cc1C)C(F)(F)F ZINC000035582078 172279462 /nfs/dbraw/zinc/27/94/62/172279462.db2.gz RGYWUNIALMOXRW-CYBMUJFWSA-N 0 0 259.315 4.215 10 0 CIAERN C[C@@H](O)c1ccc2ccccc2c1OC/C=C/Cl ZINC000035628068 172306654 /nfs/dbraw/zinc/30/66/54/172306654.db2.gz JKFGRMMUTJTIFT-VCFDLTMXSA-N 0 0 262.736 4.024 10 0 CIAERN CCN(c1ccc(F)cc1[C@@H](C)O)C1CCCCC1 ZINC000035631329 172313668 /nfs/dbraw/zinc/31/36/68/172313668.db2.gz QIBHLYWFKOVWGU-GFCCVEGCSA-N 0 0 265.372 4.038 10 0 CIAERN CCCCN(CCCC)c1ccc([C@@H](C)O)cc1F ZINC000035631554 172313862 /nfs/dbraw/zinc/31/38/62/172313862.db2.gz SOPXPSHWIPLASS-CYBMUJFWSA-N 0 0 267.388 4.286 10 0 CIAERN Cc1ccc(Oc2ccc(F)cc2[C@@H](C)O)c(C)c1 ZINC000035632094 172314449 /nfs/dbraw/zinc/31/44/49/172314449.db2.gz IQFFLRFOAKANCP-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN Cc1cc(Oc2ccc([C@@H](C)O)cc2)ccc1Cl ZINC000035631908 172314396 /nfs/dbraw/zinc/31/43/96/172314396.db2.gz KOVMHDPUGYJHQI-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN CCOc1ccccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000035632126 172314566 /nfs/dbraw/zinc/31/45/66/172314566.db2.gz GLJRNJQSLNMWHK-LLVKDONJSA-N 0 0 276.307 4.070 10 0 CIAERN C[C@@H](O)c1c(F)cccc1Oc1cccc(Cl)c1 ZINC000035632317 172314854 /nfs/dbraw/zinc/31/48/54/172314854.db2.gz VRTHULQKRNQTAK-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN Cc1cc(C)cc(Oc2ccc([C@@H](C)O)cc2F)c1 ZINC000035632250 172314910 /nfs/dbraw/zinc/31/49/10/172314910.db2.gz ROIVVFGUATVAJU-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN CCCOc1ccc(Oc2ccc([C@H](C)O)cc2)cc1 ZINC000035632485 172315659 /nfs/dbraw/zinc/31/56/59/172315659.db2.gz MBEGQZNYFJYZJK-ZDUSSCGKSA-N 0 0 272.344 4.321 10 0 CIAERN Cc1c(N)cccc1COc1ccccc1C(C)C ZINC000035649381 172325428 /nfs/dbraw/zinc/32/54/28/172325428.db2.gz CHIQBDICIKMJCK-UHFFFAOYSA-N 0 0 255.361 4.280 10 0 CIAERN Cc1ccc(SCc2cccc(N)c2C)cc1C ZINC000035649531 172325822 /nfs/dbraw/zinc/32/58/22/172325822.db2.gz YKDZWTYKOHZMIX-UHFFFAOYSA-N 0 0 257.402 4.486 10 0 CIAERN CCCOc1ccccc1Oc1ccccc1[C@H](C)O ZINC000035650612 172326567 /nfs/dbraw/zinc/32/65/67/172326567.db2.gz BVBNTKJJSHEAGZ-ZDUSSCGKSA-N 0 0 272.344 4.321 10 0 CIAERN C[C@@H](O)c1ccccc1Oc1ccc2c(c1)CCC2 ZINC000035650726 172326827 /nfs/dbraw/zinc/32/68/27/172326827.db2.gz YHYYBGZUPRYYCW-GFCCVEGCSA-N 0 0 254.329 4.021 10 0 CIAERN Cc1ccccc1COc1c(Cl)cc(Cl)cc1CO ZINC000035662574 172340049 /nfs/dbraw/zinc/34/00/49/172340049.db2.gz XBHWVYUFERIYOB-UHFFFAOYSA-N 0 0 297.181 4.373 10 0 CIAERN CCCCCOc1c(Cl)cc(Cl)cc1CO ZINC000035662547 172340259 /nfs/dbraw/zinc/34/02/59/172340259.db2.gz BZBRJCSFCCVTRS-UHFFFAOYSA-N 0 0 263.164 4.055 10 0 CIAERN CCOc1ccccc1[C@@H](C)N[C@H](C)c1ccco1 ZINC000035738836 172392614 /nfs/dbraw/zinc/39/26/14/172392614.db2.gz XZOIKEHUQVGSCH-CHWSQXEVSA-N 0 0 259.349 4.090 10 0 CIAERN CC[C@H](Nc1cn[nH]c1)c1ccc(Cl)cc1Cl ZINC000035763519 172403410 /nfs/dbraw/zinc/40/34/10/172403410.db2.gz SMLOSHLOOWKJBV-LBPRGKRZSA-N 0 0 270.163 4.280 10 0 CIAERN CC[C@@H](Nc1cn[nH]c1)c1ccc(Cl)cc1Cl ZINC000035763520 172404048 /nfs/dbraw/zinc/40/40/48/172404048.db2.gz SMLOSHLOOWKJBV-GFCCVEGCSA-N 0 0 270.163 4.280 10 0 CIAERN CNc1ccc2c(Cl)cc(Cl)c(OC(C)C)c2n1 ZINC000035875314 172423823 /nfs/dbraw/zinc/42/38/23/172423823.db2.gz OCUWDVYUYXOKAF-UHFFFAOYSA-N 0 0 285.174 4.371 10 0 CIAERN Cc1cc(C)c2nc(Cl)c(C(=O)NC(C)(C)C)cc2c1 ZINC000036175045 172495320 /nfs/dbraw/zinc/49/53/20/172495320.db2.gz NAXDIYKTNYNEQX-UHFFFAOYSA-N 0 0 290.794 4.033 10 0 CIAERN Fc1ccc(NC2CC(c3ccccc3)C2)c(F)c1 ZINC000036840429 172745638 /nfs/dbraw/zinc/74/56/38/172745638.db2.gz LPGXVBXLHFHMDV-UHFFFAOYSA-N 0 0 259.299 4.323 10 0 CIAERN CC(C)C[C@@H](C)Nc1ccccc1OCC(F)(F)F ZINC000036981448 172848510 /nfs/dbraw/zinc/84/85/10/172848510.db2.gz PXJNPFPRYZZSLO-LLVKDONJSA-N 0 0 275.314 4.474 10 0 CIAERN CCc1cc(Oc2ccc(C(N)=S)cc2)ccc1Cl ZINC000037024286 172888557 /nfs/dbraw/zinc/88/85/57/172888557.db2.gz STLKTOCJADQLKN-UHFFFAOYSA-N 0 0 291.803 4.329 10 0 CIAERN CCC(=O)Nc1cccc(NCc2cccs2)c1C ZINC000037101918 172954978 /nfs/dbraw/zinc/95/49/78/172954978.db2.gz FMSBTEBZXSUPDK-UHFFFAOYSA-N 0 0 274.389 4.017 10 0 CIAERN Cc1ccc(N[C@@H](C)c2ccccc2C)c(C)c1O ZINC000037130514 172974177 /nfs/dbraw/zinc/97/41/77/172974177.db2.gz PWJUQFXOEFXOFT-AWEZNQCLSA-N 0 0 255.361 4.491 10 0 CIAERN CO[C@@H]1CCCC[C@H]1Nc1cccc2ccccc21 ZINC000037188658 173018400 /nfs/dbraw/zinc/01/84/00/173018400.db2.gz CVSQNROUGOLMFL-IAGOWNOFSA-N 0 0 255.361 4.209 10 0 CIAERN CC(C)c1ccc(CSc2ccc(N)nc2)cc1 ZINC000037192512 173021984 /nfs/dbraw/zinc/02/19/84/173021984.db2.gz LHHWIQGXZGQIGJ-UHFFFAOYSA-N 0 0 258.390 4.080 10 0 CIAERN Cc1ccc(SCc2nc3ccccc3o2)c(N)c1 ZINC000037193034 173022073 /nfs/dbraw/zinc/02/20/73/173022073.db2.gz AGGVVSHKNGPDOO-UHFFFAOYSA-N 0 0 270.357 4.011 10 0 CIAERN COc1ccc(C)cc1CSc1ccc(F)cc1N ZINC000037194804 173023696 /nfs/dbraw/zinc/02/36/96/173023696.db2.gz FQWHLWHNRFFEAJ-UHFFFAOYSA-N 0 0 277.364 4.017 10 0 CIAERN CO[C@@H]1CCCC[C@H]1Nc1ccccc1C(F)(F)F ZINC000037196434 173024480 /nfs/dbraw/zinc/02/44/80/173024480.db2.gz FSSBXLAGTFDRBT-CHWSQXEVSA-N 0 0 273.298 4.075 10 0 CIAERN Nc1cccc(Cl)c1SCCc1ccccc1 ZINC000037204315 173026768 /nfs/dbraw/zinc/02/67/68/173026768.db2.gz HOAXDCRHWWAWKI-UHFFFAOYSA-N 0 0 263.793 4.257 10 0 CIAERN Cc1ccc(OCCSc2ccc(N)cc2Cl)cc1 ZINC000037204861 173027034 /nfs/dbraw/zinc/02/70/34/173027034.db2.gz NXTZDSZMHLQAES-UHFFFAOYSA-N 0 0 293.819 4.402 10 0 CIAERN Cc1cccc(Nc2nc3cc(F)ccc3s2)c1 ZINC000037206787 173027208 /nfs/dbraw/zinc/02/72/08/173027208.db2.gz PLQQXUXKCKFXGP-UHFFFAOYSA-N 0 0 258.321 4.487 10 0 CIAERN Nc1ccc(F)cc1-c1nc2cccc(Cl)c2s1 ZINC000037205993 173027421 /nfs/dbraw/zinc/02/74/21/173027421.db2.gz JLLLAQVRRUPQIC-UHFFFAOYSA-N 0 0 278.739 4.338 10 0 CIAERN Fc1ccc(N[C@@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000037250266 173062448 /nfs/dbraw/zinc/06/24/48/173062448.db2.gz ZQGZUKWNZZQMMH-CQSZACIVSA-N 0 0 275.754 4.449 10 0 CIAERN Cc1ccc(-n2nc(-c3ccccc3)cc2N)cc1Cl ZINC000037250967 173063098 /nfs/dbraw/zinc/06/30/98/173063098.db2.gz GSVAOEVSLXYWTR-UHFFFAOYSA-N 0 0 283.762 4.083 10 0 CIAERN CCCOC(=O)c1ccc(N[C@H](CC)C(C)C)cc1 ZINC000037251978 173063580 /nfs/dbraw/zinc/06/35/80/173063580.db2.gz JUFVTSYTZKNQFT-OAHLLOKOSA-N 0 0 263.381 4.100 10 0 CIAERN CCC(=O)Nc1ccc(C)c(N[C@@H](CC)C(C)C)c1 ZINC000037274370 173086452 /nfs/dbraw/zinc/08/64/52/173086452.db2.gz STLNHZVOTVDMTH-AWEZNQCLSA-N 0 0 262.397 4.190 10 0 CIAERN O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1cccs1 ZINC000037311168 173113433 /nfs/dbraw/zinc/11/34/33/173113433.db2.gz FAGJLRKLMDQVHE-UHFFFAOYSA-N 0 0 288.759 4.067 10 0 CIAERN CCCC[C@H](C)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000037315505 173116682 /nfs/dbraw/zinc/11/66/82/173116682.db2.gz GELWUDYQAPITME-NSHDSACASA-N 0 0 282.815 4.032 10 0 CIAERN CC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000037347144 173144188 /nfs/dbraw/zinc/14/41/88/173144188.db2.gz QULNYVSWRZPBRI-UHFFFAOYSA-N 0 0 262.393 4.249 10 0 CIAERN Cc1cccc(C(=O)c2ccc(CC(C)C)cc2)c1 ZINC000037357400 173147627 /nfs/dbraw/zinc/14/76/27/173147627.db2.gz RTZNYYHHZLFWMN-UHFFFAOYSA-N 0 0 252.357 4.425 10 0 CIAERN O=C(c1ccc(F)cc1Cl)c1c(F)cc(F)cc1F ZINC000037358968 173148149 /nfs/dbraw/zinc/14/81/49/173148149.db2.gz SFGGQXXPLMJUEO-UHFFFAOYSA-N 0 0 288.627 4.127 10 0 CIAERN C[C@H](CC(=O)c1ccc2c(c1)CCO2)CC(C)(C)C ZINC000037358619 173148162 /nfs/dbraw/zinc/14/81/62/173148162.db2.gz AVTNPIKNBQHXRM-GFCCVEGCSA-N 0 0 260.377 4.267 10 0 CIAERN COc1ccc(C(=O)c2cc(C)ccc2C)cc1Cl ZINC000037362700 173151473 /nfs/dbraw/zinc/15/14/73/173151473.db2.gz OZZMDXMXQOSFFM-UHFFFAOYSA-N 0 0 274.747 4.196 10 0 CIAERN O[C@@]1(c2ccccc2)CCCC[C@H]1c1ccccc1 ZINC000037376030 173165348 /nfs/dbraw/zinc/16/53/48/173165348.db2.gz SAMXWYOMFYONOY-ZWKOTPCHSA-N 0 0 252.357 4.232 10 0 CIAERN O=C(CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037378210 173166447 /nfs/dbraw/zinc/16/64/47/173166447.db2.gz DSPNAEWOWDJTFS-UHFFFAOYSA-N 0 0 257.038 4.129 10 0 CIAERN O=C(Cc1ccccc1)c1cc(Cl)sc1Cl ZINC000037378947 173167161 /nfs/dbraw/zinc/16/71/61/173167161.db2.gz VVGILGQVOBBIPV-UHFFFAOYSA-N 0 0 271.168 4.480 10 0 CIAERN COc1ccc(SCc2cc(N)ccc2Cl)cc1 ZINC000037403569 173180069 /nfs/dbraw/zinc/18/00/69/173180069.db2.gz MMCHTNPTAXPMBY-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN CC[C@@H](C)N(CC)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415094 173191680 /nfs/dbraw/zinc/19/16/80/173191680.db2.gz YTAYECZBDWCJJI-SNVBAGLBSA-N 0 0 288.218 4.297 10 0 CIAERN Cc1cc(Cl)ccc1Oc1cccc(F)c1N ZINC000037420094 173197454 /nfs/dbraw/zinc/19/74/54/173197454.db2.gz UYGWPQBXYAEDQK-UHFFFAOYSA-N 0 0 251.688 4.162 10 0 CIAERN Nc1c(F)cccc1Oc1ccc(C(F)(F)F)cc1 ZINC000037420356 173197787 /nfs/dbraw/zinc/19/77/87/173197787.db2.gz PXMQITYMGDRHGM-UHFFFAOYSA-N 0 0 271.213 4.219 10 0 CIAERN C[C@@H](c1ccco1)n1c2cccc(F)c2[nH]c1=S ZINC000037422840 173198311 /nfs/dbraw/zinc/19/83/11/173198311.db2.gz PAEUBDOYIQTQCQ-QMMMGPOBSA-N 0 0 262.309 4.040 10 0 CIAERN Nc1nc2c(cccc2F)n1-c1ccc(Cl)cc1Cl ZINC000037421401 173198486 /nfs/dbraw/zinc/19/84/86/173198486.db2.gz RJCBJPWSMGMBNW-UHFFFAOYSA-N 0 0 296.132 4.054 10 0 CIAERN CC(C)n1c2ccc(F)cc2nc1-c1ccc(N)cc1 ZINC000037439718 173209197 /nfs/dbraw/zinc/20/91/97/173209197.db2.gz WIINCCBYIVGORI-UHFFFAOYSA-N 0 0 269.323 4.006 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)Cc1ccccc1F ZINC000037529858 173252978 /nfs/dbraw/zinc/25/29/78/173252978.db2.gz PKZPACQMOILPAM-YSVLISHTSA-N 0 0 264.384 4.192 10 0 CIAERN C[C@](O)(Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000037530797 173253060 /nfs/dbraw/zinc/25/30/60/173253060.db2.gz YTMRHZSNNFJTLD-HNNXBMFYSA-N 0 0 281.182 4.444 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCc1ccccc1 ZINC000037531624 173253285 /nfs/dbraw/zinc/25/32/85/173253285.db2.gz QKXYDTSWMIESKX-NJAFHUGGSA-N 0 0 260.421 4.443 10 0 CIAERN CC[C@](O)(Cc1cccc(Cl)c1)c1ccccc1 ZINC000037531361 173253306 /nfs/dbraw/zinc/25/33/06/173253306.db2.gz UUPQVMATHYAQRM-INIZCTEOSA-N 0 0 260.764 4.180 10 0 CIAERN O=C(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037531887 173253414 /nfs/dbraw/zinc/25/34/14/173253414.db2.gz RUCLLEBIBFFYBP-UHFFFAOYSA-N 0 0 265.139 4.419 10 0 CIAERN Cc1ccccc1C(=O)Cc1ccc(Br)cc1 ZINC000037531920 173253509 /nfs/dbraw/zinc/25/35/09/173253509.db2.gz BAWXEYJSRAWLEB-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN Cc1cccc(CC(=O)c2cccc(Br)c2)c1 ZINC000037531948 173253516 /nfs/dbraw/zinc/25/35/16/173253516.db2.gz BWANPBKSAOVNHF-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN O=C(CCc1ccccc1)Cc1cccc(Cl)c1 ZINC000037531905 173253530 /nfs/dbraw/zinc/25/35/30/173253530.db2.gz SCDWCZYBTJOMQI-UHFFFAOYSA-N 0 0 258.748 4.084 10 0 CIAERN Cc1ccc(C[C@H](O)c2ccc(C(C)C)cc2)cc1 ZINC000037532404 173253719 /nfs/dbraw/zinc/25/37/19/173253719.db2.gz LCVCNDIEQLXSGZ-SFHVURJKSA-N 0 0 254.373 4.395 10 0 CIAERN Cc1cccc(C[C@H](O)c2cccc(Br)c2)c1 ZINC000037532699 173253736 /nfs/dbraw/zinc/25/37/36/173253736.db2.gz FMAVIKSEFYWZJJ-HNNXBMFYSA-N 0 0 291.188 4.034 10 0 CIAERN O[C@@H](Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000037532316 173253795 /nfs/dbraw/zinc/25/37/95/173253795.db2.gz YXWKLOTUHYAORO-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN CC(C)C[C@@H](C)Oc1ccc(N)cc1C(F)(F)F ZINC000037754685 173678597 /nfs/dbraw/zinc/67/85/97/173678597.db2.gz OLBVEYYSEFNBHQ-SECBINFHSA-N 0 0 261.287 4.101 10 0 CIAERN CCOc1ccc(N[C@@H](C)C2(C)CC2)cc1Cl ZINC000037773458 173705532 /nfs/dbraw/zinc/70/55/32/173705532.db2.gz VCHGMJDEISMEBG-JTQLQIEISA-N 0 0 253.773 4.339 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000037776676 173708568 /nfs/dbraw/zinc/70/85/68/173708568.db2.gz DKEVSMBHWHLXOL-BDAKNGLRSA-N 0 0 261.287 4.274 10 0 CIAERN CCSc1ccccc1N[C@H](C)c1ccncc1 ZINC000037779187 173709639 /nfs/dbraw/zinc/70/96/39/173709639.db2.gz XWDKAUTUTQLOMN-GFCCVEGCSA-N 0 0 258.390 4.367 10 0 CIAERN O[C@H](CNc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000037857028 173808119 /nfs/dbraw/zinc/80/81/19/173808119.db2.gz MQCBCGJCGJJUJF-CQSZACIVSA-N 0 0 282.170 4.139 10 0 CIAERN Nc1cc(COc2ccc(F)cc2Cl)ccc1Cl ZINC000037902120 173833407 /nfs/dbraw/zinc/83/34/07/173833407.db2.gz OYQNDMYQQDXXCN-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN CCc1ncc(CNc2ccc(F)c(Cl)c2)s1 ZINC000037923985 173862422 /nfs/dbraw/zinc/86/24/22/173862422.db2.gz DCPTYHNTHKHYKV-UHFFFAOYSA-N 0 0 270.760 4.110 10 0 CIAERN C[C@H](Nc1ccc(O)cc1)c1ccc(Br)s1 ZINC000038003161 173965473 /nfs/dbraw/zinc/96/54/73/173965473.db2.gz PVDFZCBIJILMIX-QMMMGPOBSA-N 0 0 298.205 4.389 10 0 CIAERN Cc1n[nH]c(C)c1NCc1cc(-c2ccccc2)cs1 ZINC000038030797 174023337 /nfs/dbraw/zinc/02/33/37/174023337.db2.gz XXZLBIRRWAGVOP-UHFFFAOYSA-N 0 0 283.400 4.367 10 0 CIAERN Nc1cc(F)c(Nc2cc(Cl)ccc2F)c(F)c1 ZINC000038040087 174040323 /nfs/dbraw/zinc/04/03/23/174040323.db2.gz ZEJGASXVHHWISJ-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN Nc1cc(F)c(Nc2ccccc2Br)c(F)c1 ZINC000038040002 174040508 /nfs/dbraw/zinc/04/05/08/174040508.db2.gz UKIDUGJOFFPCON-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Cc1ccc(C(C)C)cc1OCc1cc(F)ccc1N ZINC000038052937 174064579 /nfs/dbraw/zinc/06/45/79/174064579.db2.gz NTUAJTUSPOCMJY-UHFFFAOYSA-N 0 0 273.351 4.419 10 0 CIAERN O=C(CC1CCCCC1)c1ccc2c(c1)CCCO2 ZINC000038057602 174068347 /nfs/dbraw/zinc/06/83/47/174068347.db2.gz NDONYGWBKCQTOD-UHFFFAOYSA-N 0 0 258.361 4.165 10 0 CIAERN Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1N ZINC000038069024 174080521 /nfs/dbraw/zinc/08/05/21/174080521.db2.gz ISQZQUFBFKWZCX-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN Nc1ncc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000038069213 174080825 /nfs/dbraw/zinc/08/08/25/174080825.db2.gz SSPNOCIYOXHSHK-UHFFFAOYSA-N 0 0 268.341 4.185 10 0 CIAERN O=Cc1ccc(-c2cccc3ccccc32)cc1F ZINC000038069581 174081086 /nfs/dbraw/zinc/08/10/86/174081086.db2.gz RBRRRSHOMHSSGI-UHFFFAOYSA-N 0 0 250.272 4.458 10 0 CIAERN CCOc1ccc(-c2cccc(C(=O)CC)c2)cc1 ZINC000038069623 174081152 /nfs/dbraw/zinc/08/11/52/174081152.db2.gz URCAHSOPPMSWDY-UHFFFAOYSA-N 0 0 254.329 4.345 10 0 CIAERN CCC(=O)c1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000038071868 174082538 /nfs/dbraw/zinc/08/25/38/174082538.db2.gz ZZUWIWXTPFGQEV-UHFFFAOYSA-N 0 0 276.339 4.132 10 0 CIAERN Cc1cc(C)cc(C[C@@](C)(O)c2ccccc2C)c1 ZINC000038077060 174087411 /nfs/dbraw/zinc/08/74/11/174087411.db2.gz DBKUYXCONFSSKV-GOSISDBHSA-N 0 0 254.373 4.062 10 0 CIAERN O=C(Cc1cccc(Cl)c1)c1ccccc1Cl ZINC000038078356 174088869 /nfs/dbraw/zinc/08/88/69/174088869.db2.gz ITXGVBQRJUZEGF-UHFFFAOYSA-N 0 0 265.139 4.419 10 0 CIAERN CC(C)(C)c1ccc(Oc2cncc(Cl)n2)cc1 ZINC000038082267 174090992 /nfs/dbraw/zinc/09/09/92/174090992.db2.gz XTVCYCBENVEJRU-UHFFFAOYSA-N 0 0 262.740 4.220 10 0 CIAERN CC(C)(C)c1ccccc1Oc1ccc(Cl)nn1 ZINC000038082227 174091261 /nfs/dbraw/zinc/09/12/61/174091261.db2.gz QPNGMNCYIPXAKD-UHFFFAOYSA-N 0 0 262.740 4.220 10 0 CIAERN CCSc1ccccc1NC(=O)c1ccnc(Cl)c1 ZINC000038102442 174118334 /nfs/dbraw/zinc/11/83/34/174118334.db2.gz DAETWEXSHZXHFW-UHFFFAOYSA-N 0 0 292.791 4.099 10 0 CIAERN C/C(=C\[C@@H]1C(C)=CCCC1(C)C)[C@]1(C)OC[C@@H](C)O1 ZINC000038652033 174150977 /nfs/dbraw/zinc/15/09/77/174150977.db2.gz OLJZZCKBGUFAEV-MTEAWHQMSA-N 0 0 264.409 4.467 10 0 CIAERN c1ccc(Oc2cc(Oc3ccccc3)ncn2)cc1 ZINC000039121204 174163330 /nfs/dbraw/zinc/16/33/30/174163330.db2.gz VNUQMXLZNZGGAC-UHFFFAOYSA-N 0 0 264.284 4.061 10 0 CIAERN O=C(Nc1cccc2cccnc21)c1cc2ccccc2cn1 ZINC000039134219 174164648 /nfs/dbraw/zinc/16/46/48/174164648.db2.gz HOKPAJPTRWRRPL-UHFFFAOYSA-N 0 0 299.333 4.035 10 0 CIAERN CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC(=O)c2ccccc2)C1 ZINC000039194486 174165108 /nfs/dbraw/zinc/16/51/08/174165108.db2.gz OPWJLYPXLLWOHU-HUUCEWRRSA-N 0 0 272.388 4.291 10 0 CIAERN Cc1sc(Br)cc1-c1ccccc1 ZINC000039207215 174165831 /nfs/dbraw/zinc/16/58/31/174165831.db2.gz KXXPHMSQCJJSQM-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN CC(=O)c1cc2c(cc(C)c(Br)c2C)o1 ZINC000040175361 174201075 /nfs/dbraw/zinc/20/10/75/174201075.db2.gz XLQNPKRDOLLAAY-UHFFFAOYSA-N 0 0 267.122 4.015 10 0 CIAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1nccs1 ZINC000040178728 174203127 /nfs/dbraw/zinc/20/31/27/174203127.db2.gz RPHNIHQTNOFPTP-UHFFFAOYSA-N 0 0 298.367 4.272 10 0 CIAERN Cc1cccc(OCCn2cnc3cc(C)c(C)cc32)c1C ZINC000040224031 174207261 /nfs/dbraw/zinc/20/72/61/174207261.db2.gz BCEAFBLZXMKQCQ-UHFFFAOYSA-N 0 0 294.398 4.349 10 0 CIAERN Cc1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000040224630 174208023 /nfs/dbraw/zinc/20/80/23/174208023.db2.gz RBJQWZDRIIUMQQ-UHFFFAOYSA-N 0 0 280.371 4.041 10 0 CIAERN COc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040244102 174214300 /nfs/dbraw/zinc/21/43/00/174214300.db2.gz FFGLSHWBBKCCQJ-CQSZACIVSA-N 0 0 283.154 4.084 10 0 CIAERN O[C@H](CC(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000040245106 174214689 /nfs/dbraw/zinc/21/46/89/174214689.db2.gz NTWBMYMHVYFOME-CQSZACIVSA-N 0 0 266.262 4.339 10 0 CIAERN Cc1cc(C)c([C@@H](O)c2ccccc2Cl)c(C)c1 ZINC000040249244 174215689 /nfs/dbraw/zinc/21/56/89/174215689.db2.gz HRNSDZHJTHKJNF-INIZCTEOSA-N 0 0 260.764 4.347 10 0 CIAERN CCC(C)(C)c1ccc([C@H](O)COc2ccccc2N)cc1 ZINC000040352251 174245147 /nfs/dbraw/zinc/24/51/47/174245147.db2.gz OMSQLWCWBXMJRM-QGZVFWFLSA-N 0 0 299.414 4.069 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)c(N)c1 ZINC000040354421 174245609 /nfs/dbraw/zinc/24/56/09/174245609.db2.gz YMDKFCDXYMXQLO-HNNXBMFYSA-N 0 0 297.398 4.153 10 0 CIAERN Cc1c(Cl)ccc2c(NC(=O)c3ccco3)ccnc12 ZINC000040359189 174246348 /nfs/dbraw/zinc/24/63/48/174246348.db2.gz VMEZCHVTGFSTRO-UHFFFAOYSA-N 0 0 286.718 4.042 10 0 CIAERN COCCCn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040389449 174252278 /nfs/dbraw/zinc/25/22/78/174252278.db2.gz GSHVHALFCXGBHM-UHFFFAOYSA-N 0 0 280.371 4.048 10 0 CIAERN CCOCCCn1c2ccc(Cl)cc2nc1C(C)C ZINC000040403215 174253756 /nfs/dbraw/zinc/25/37/56/174253756.db2.gz YRCBUILVKRBBEF-UHFFFAOYSA-N 0 0 280.799 4.240 10 0 CIAERN Cc1ccc(-c2nc3ccc(Cl)cc3n2C)cc1 ZINC000040417058 174255886 /nfs/dbraw/zinc/25/58/86/174255886.db2.gz BZYQVIILHOTJMH-UHFFFAOYSA-N 0 0 256.736 4.202 10 0 CIAERN CCn1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040417150 174256149 /nfs/dbraw/zinc/25/61/49/174256149.db2.gz UXXKDAXFMRMJBZ-UHFFFAOYSA-N 0 0 280.249 4.335 10 0 CIAERN OCc1cc(Cc2cccc3ccccc32)cc(Cl)c1O ZINC000040538133 174321782 /nfs/dbraw/zinc/32/17/82/174321782.db2.gz XCTDHQJPBWJKFR-UHFFFAOYSA-N 0 0 298.769 4.282 10 0 CIAERN O=C(Nc1ccc(-c2ccccc2)cn1)Oc1ccccc1 ZINC000040881037 174427542 /nfs/dbraw/zinc/42/75/42/174427542.db2.gz VZTJCNAIGKIQLT-UHFFFAOYSA-N 0 0 290.322 4.360 10 0 CIAERN Oc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000040895683 174429261 /nfs/dbraw/zinc/42/92/61/174429261.db2.gz CBQJPHRDVUSNID-UHFFFAOYSA-N 0 0 256.198 4.217 10 0 CIAERN CCCCCNC(=O)CCCOc1ccc(CCC)cc1 ZINC000040912814 174432806 /nfs/dbraw/zinc/43/28/06/174432806.db2.gz CUFOUWFDLHHRHK-UHFFFAOYSA-N 0 0 291.435 4.105 10 0 CIAERN Cc1cccc(C)c1OC(=O)CCc1ccc(Cl)cc1 ZINC000040995289 174446398 /nfs/dbraw/zinc/44/63/98/174446398.db2.gz YNHVCTGYYUKESN-UHFFFAOYSA-N 0 0 288.774 4.495 10 0 CIAERN Cc1ccc2c(NC(=O)c3cccs3)ccnc2c1C ZINC000041057962 174465207 /nfs/dbraw/zinc/46/52/07/174465207.db2.gz DRCOMNBGNAYVGF-UHFFFAOYSA-N 0 0 282.368 4.165 10 0 CIAERN Cc1cc(C)c2nccc(NC(=O)c3cccs3)c2c1 ZINC000041057018 174465420 /nfs/dbraw/zinc/46/54/20/174465420.db2.gz ZYTPVTWEHPQCGP-UHFFFAOYSA-N 0 0 282.368 4.165 10 0 CIAERN Cc1ccc2nccc(NC(=O)CCc3ccccc3)c2c1 ZINC000041057275 174465507 /nfs/dbraw/zinc/46/55/07/174465507.db2.gz MTEUCBSDQCPFIQ-UHFFFAOYSA-N 0 0 290.366 4.115 10 0 CIAERN CC(C)Oc1ccc(-c2ccc3c(c2)CCN3)cc1 ZINC000041323598 174520170 /nfs/dbraw/zinc/52/01/70/174520170.db2.gz FKMTYIORWSAZGF-UHFFFAOYSA-N 0 0 253.345 4.109 10 0 CIAERN CCc1ccc(-c2ccc(Br)nc2)cc1 ZINC000041352920 174531729 /nfs/dbraw/zinc/53/17/29/174531729.db2.gz NXOIYUVVVMXVTM-UHFFFAOYSA-N 0 0 262.150 4.074 10 0 CIAERN OC[C@H](c1ccc(Br)cc1)C1CCCCC1 ZINC000041440282 174553695 /nfs/dbraw/zinc/55/36/95/174553695.db2.gz NIRYEHKVNHYUTN-AWEZNQCLSA-N 0 0 283.209 4.105 10 0 CIAERN Nc1n[nH]c(-c2ccc(Cl)cc2)c1-c1ccccc1F ZINC000041464196 174556441 /nfs/dbraw/zinc/55/64/41/174556441.db2.gz DWCSZZMRUPWKKO-UHFFFAOYSA-N 0 0 287.725 4.118 10 0 CIAERN Cc1ccc(C[C@H](CO)Cc2c(F)cccc2Cl)cc1 ZINC000041482974 174560353 /nfs/dbraw/zinc/56/03/53/174560353.db2.gz KXUPVASVRIOYAN-AWEZNQCLSA-N 0 0 292.781 4.181 10 0 CIAERN Cc1ccc(NCCOc2ccc(Cl)cc2)cc1 ZINC000041578937 174570065 /nfs/dbraw/zinc/57/00/65/174570065.db2.gz FRSGBQJMOOHVED-UHFFFAOYSA-N 0 0 261.752 4.139 10 0 CIAERN Cc1ccsc1[C@@H](O)c1csc2ccccc21 ZINC000042268473 174670500 /nfs/dbraw/zinc/67/05/00/174670500.db2.gz RHAFPKPVOHZWAO-ZDUSSCGKSA-N 0 0 260.383 4.353 10 0 CIAERN COc1cc(F)ccc1N[C@H](c1cccs1)C1CC1 ZINC000042331768 174687249 /nfs/dbraw/zinc/68/72/49/174687249.db2.gz XKCHEHIXCMHEBU-HNNXBMFYSA-N 0 0 277.364 4.459 10 0 CIAERN Clc1ccc(Nc2ccc(Br)cn2)cc1 ZINC000042376629 174703577 /nfs/dbraw/zinc/70/35/77/174703577.db2.gz GXFLTHVJUMGIBG-UHFFFAOYSA-N 0 0 283.556 4.241 10 0 CIAERN CC[C@H](C)[C@@H](C)n1c2ccc(F)cc2[nH]c1=S ZINC000042557672 174794310 /nfs/dbraw/zinc/79/43/10/174794310.db2.gz WDTTUQBIESIHJH-DTWKUNHWSA-N 0 0 252.358 4.445 10 0 CIAERN CCCCCN(c1cccc(F)c1C(C)=O)C(C)C ZINC000042557544 174794410 /nfs/dbraw/zinc/79/44/10/174794410.db2.gz KKNMMEIYBRHUPM-UHFFFAOYSA-N 0 0 265.372 4.433 10 0 CIAERN Cc1cc(N)ccc1Nc1ccc(Cl)c(F)c1 ZINC000042577885 174802946 /nfs/dbraw/zinc/80/29/46/174802946.db2.gz GHZVUWRYSWPSLQ-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1cc(F)c(Nc2ccc(Cl)cc2F)c(F)c1 ZINC000042587502 174809504 /nfs/dbraw/zinc/80/95/04/174809504.db2.gz YKWOJSKVJFOBBX-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN COc1ccc2c(c1)oc(C(F)(F)F)cc2=S ZINC000043464897 175052529 /nfs/dbraw/zinc/05/25/29/175052529.db2.gz JYZYKWMUSVXBDE-UHFFFAOYSA-N 0 0 260.236 4.190 10 0 CIAERN O=C1CCCCC[C@@H]1Cc1ccc(Br)s1 ZINC000043650025 175085388 /nfs/dbraw/zinc/08/53/88/175085388.db2.gz DLFMAKMCXAUHNY-SECBINFHSA-N 0 0 287.222 4.203 10 0 CIAERN O[C@H]1CCCC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000043658239 175085791 /nfs/dbraw/zinc/08/57/91/175085791.db2.gz JJHVJPUQJHXFQN-GWCFXTLKSA-N 0 0 259.176 4.087 10 0 CIAERN C[C@H]1CCC(=O)[C@H](Cc2sccc2Br)C1 ZINC000043676116 175088319 /nfs/dbraw/zinc/08/83/19/175088319.db2.gz QNWASXSDZQYULU-IUCAKERBSA-N 0 0 287.222 4.058 10 0 CIAERN CCC(C)(C)OCc1sccc1Br ZINC000043679706 175090561 /nfs/dbraw/zinc/09/05/61/175090561.db2.gz KAWZADQNKUPZDP-UHFFFAOYSA-N 0 0 263.200 4.216 10 0 CIAERN COc1ccc(OCc2cc(Br)cs2)cc1 ZINC000043687546 175094892 /nfs/dbraw/zinc/09/48/92/175094892.db2.gz JLCVMJPQPPLVRR-UHFFFAOYSA-N 0 0 299.189 4.098 10 0 CIAERN O=C1CCCCC[C@@H]1Cc1cc(Br)cs1 ZINC000043687996 175094919 /nfs/dbraw/zinc/09/49/19/175094919.db2.gz XULXVALOMDXQMY-SECBINFHSA-N 0 0 287.222 4.203 10 0 CIAERN Fc1ccccc1-c1csc(Br)c1 ZINC000044120895 175143014 /nfs/dbraw/zinc/14/30/14/175143014.db2.gz GASXQLGGKZROOZ-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN Cc1occc1-c1noc(N)c1-c1ccccc1Cl ZINC000044269398 175157691 /nfs/dbraw/zinc/15/76/91/175157691.db2.gz MTIWHWALFCFHDQ-UHFFFAOYSA-N 0 0 274.707 4.146 10 0 CIAERN CC(=O)c1ccc(-c2ccc(Br)cc2)nc1C ZINC000044672223 175226609 /nfs/dbraw/zinc/22/66/09/175226609.db2.gz YSKWXWXSTOWRKS-UHFFFAOYSA-N 0 0 290.160 4.022 10 0 CIAERN Cc1cc([C@H]2CCCN2c2cc(C)c3ccccc3n2)no1 ZINC000044725021 175237171 /nfs/dbraw/zinc/23/71/71/175237171.db2.gz JEKCQJZZPJSYTD-QGZVFWFLSA-N 0 0 293.370 4.181 10 0 CIAERN Cc1nc(-c2cccc(NCc3ccccc3)c2)[nH]c1C ZINC000045189795 175326014 /nfs/dbraw/zinc/32/60/14/175326014.db2.gz LDRYEHCQZJVCHB-UHFFFAOYSA-N 0 0 277.371 4.306 10 0 CIAERN CCC/C(=C\c1ccc(O)cc1)c1ccc(O)cc1 ZINC000045285863 175353582 /nfs/dbraw/zinc/35/35/82/175353582.db2.gz QVGSIRCXVJJHIC-NTCAYCPXSA-N 0 0 254.329 4.439 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1Cl ZINC000063021005 175681101 /nfs/dbraw/zinc/68/11/01/175681101.db2.gz GAOJVKRJDZWRAO-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CC(C)[C@H](C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000070236729 175882765 /nfs/dbraw/zinc/88/27/65/175882765.db2.gz VGWSBINOHRHNIG-HNNXBMFYSA-N 0 0 279.811 4.092 10 0 CIAERN CC(C)(C)C1CCC(C(=O)N2CCCCCC2)CC1 ZINC000070237121 175883184 /nfs/dbraw/zinc/88/31/84/175883184.db2.gz PQHKJHJCEZRCEO-UHFFFAOYSA-N 0 0 265.441 4.242 10 0 CIAERN NC(=S)c1c(Cl)cccc1Oc1cc(F)ccc1F ZINC000071167796 176049335 /nfs/dbraw/zinc/04/93/35/176049335.db2.gz FNKNPXMFIVJIOH-UHFFFAOYSA-N 0 0 299.729 4.045 10 0 CIAERN CCN(c1cccc(C)c1)c1nnc(Cl)c(C)c1C ZINC000071171428 176051804 /nfs/dbraw/zinc/05/18/04/176051804.db2.gz PELMTRGVTLVWRX-UHFFFAOYSA-N 0 0 275.783 4.213 10 0 CIAERN CC(C)(C)CCOc1ccc(CO)cc1C(F)(F)F ZINC000071399307 176152325 /nfs/dbraw/zinc/15/23/25/176152325.db2.gz ISDJRZFUOORWCM-UHFFFAOYSA-N 0 0 276.298 4.013 10 0 CIAERN Cc1ccc2c(c1)c(C=O)c(Cl)n2Cc1ccccc1 ZINC000071465063 176181248 /nfs/dbraw/zinc/18/12/48/176181248.db2.gz BGZHAJDJTADJKE-UHFFFAOYSA-N 0 0 283.758 4.464 10 0 CIAERN Cc1cccc2c(CO)c(Cl)n(Cc3ccccc3)c21 ZINC000071465283 176181597 /nfs/dbraw/zinc/18/15/97/176181597.db2.gz KRLHXCWYYAJTJT-UHFFFAOYSA-N 0 0 285.774 4.144 10 0 CIAERN Cc1cc2c(cc1C)n(Cc1ccccc1)c(Cl)c2CO ZINC000071465770 176181702 /nfs/dbraw/zinc/18/17/02/176181702.db2.gz XOVAQNCVLYMJEL-UHFFFAOYSA-N 0 0 299.801 4.452 10 0 CIAERN Cc1cc2c(c(CO)c(Cl)n2Cc2ccccc2)c(C)c1 ZINC000071465836 176181711 /nfs/dbraw/zinc/18/17/11/176181711.db2.gz CXVRKJIHDGGAHX-UHFFFAOYSA-N 0 0 299.801 4.452 10 0 CIAERN Cc1ccc2c(c1)n(Cc1ccccc1)c(Cl)c2CO ZINC000071466392 176182512 /nfs/dbraw/zinc/18/25/12/176182512.db2.gz VZQSUIULDUQASS-UHFFFAOYSA-N 0 0 285.774 4.144 10 0 CIAERN Clc1cc(Cl)c(C(Cl)(Cl)Cl)cn1 ZINC000071625026 176235784 /nfs/dbraw/zinc/23/57/84/176235784.db2.gz SJZFMUGZRWVTKC-UHFFFAOYSA-N 0 0 265.354 4.215 10 0 CIAERN Clc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1 ZINC000072106582 176316620 /nfs/dbraw/zinc/31/66/20/176316620.db2.gz PWUSXYHXDCAKDO-ONEGZZNKSA-N 0 0 254.720 4.387 10 0 CIAERN Cc1cccc(-c2cc3cc(C)ccc3oc2=O)c1 ZINC000072123583 176320194 /nfs/dbraw/zinc/32/01/94/176320194.db2.gz HWTBZWBAPBIUQT-UHFFFAOYSA-N 0 0 250.297 4.077 10 0 CIAERN Clc1cccc(-n2nccc2-c2ccccc2)c1 ZINC000072190466 176335664 /nfs/dbraw/zinc/33/56/64/176335664.db2.gz RIVLZSKNTVHDOI-UHFFFAOYSA-N 0 0 254.720 4.193 10 0 CIAERN Clc1ccccc1-n1nccc1-c1ccsc1 ZINC000072190484 176335685 /nfs/dbraw/zinc/33/56/85/176335685.db2.gz RYUCIZATLVEIDZ-UHFFFAOYSA-N 0 0 260.749 4.254 10 0 CIAERN FC(F)(F)c1ccc(Br)c(C2CC2)c1 ZINC000072193369 176336539 /nfs/dbraw/zinc/33/65/39/176336539.db2.gz FUAUIGRZJBDIIU-UHFFFAOYSA-N 0 0 265.072 4.345 10 0 CIAERN Brc1ccc(C2CC2)c(Br)c1 ZINC000072193332 176336681 /nfs/dbraw/zinc/33/66/81/176336681.db2.gz ZHMMAICSAQUXBG-UHFFFAOYSA-N 0 0 275.971 4.089 10 0 CIAERN FC(F)(F)c1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000072193238 176336828 /nfs/dbraw/zinc/33/68/28/176336828.db2.gz JDPDIJHIFIQNCO-UHFFFAOYSA-N 0 0 293.075 4.469 10 0 CIAERN CCCCNc1nc(-c2cccnc2)nc2sc(C)cc21 ZINC000072260789 176351746 /nfs/dbraw/zinc/35/17/46/176351746.db2.gz BGMSQIRKPFTQBN-UHFFFAOYSA-N 0 0 298.415 4.274 10 0 CIAERN FC(F)(Cl)[C@@](F)(Cl)C(Cl)(Cl)Cl ZINC000072265589 176352049 /nfs/dbraw/zinc/35/20/49/176352049.db2.gz QCIWFDMHGNDLDH-PVQJCKRUSA-N 0 0 270.292 4.093 10 0 CIAERN Cc1cc2[nH]c(-c3ccc(C)c(C)c3)nc2c(C)c1 ZINC000073638586 176480346 /nfs/dbraw/zinc/48/03/46/176480346.db2.gz ZGHWDGYIRNIEQI-UHFFFAOYSA-N 0 0 250.345 4.464 10 0 CIAERN Cc1cc(Oc2cccc(C(C)(C)C)c2)ncc1N ZINC000076304086 176975748 /nfs/dbraw/zinc/97/57/48/176975748.db2.gz PZHVVRCEDLLIEJ-UHFFFAOYSA-N 0 0 256.349 4.062 10 0 CIAERN C[C@H](NC(=O)c1cccc(F)c1)c1ccc(F)cc1Cl ZINC000078819860 177393456 /nfs/dbraw/zinc/39/34/56/177393456.db2.gz DTHXBJZZNFVICO-VIFPVBQESA-N 0 0 295.716 4.109 10 0 CIAERN CCC[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000078820045 177393461 /nfs/dbraw/zinc/39/34/61/177393461.db2.gz NNUGMBWOWKRTTF-VHSXEESVSA-N 0 0 271.763 4.093 10 0 CIAERN Cc1ccnc(N[C@H](C)c2cc3cc(Cl)ccc3o2)n1 ZINC000301293313 227503166 /nfs/dbraw/zinc/50/31/66/227503166.db2.gz VYUBGRFUFUETRZ-SNVBAGLBSA-N 0 0 287.750 4.358 10 0 CIAERN Cc1cc(N[C@@H](C)c2cc3ccccc3s2)nnc1C ZINC000302700979 227877705 /nfs/dbraw/zinc/87/77/05/227877705.db2.gz XJNWERDOMYXUKQ-LBPRGKRZSA-N 0 0 283.400 4.481 10 0 CIAERN CC(C)[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000171918659 335084806 /nfs/dbraw/zinc/08/48/06/335084806.db2.gz MWFGOLOUDPCNPH-RYUDHWBXSA-N 0 0 267.800 4.152 10 0 CIAERN Cc1ccc(C[C@@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000179956832 260082606 /nfs/dbraw/zinc/08/26/06/260082606.db2.gz QPAFPGXBINQVJB-KGLIPLIRSA-N 0 0 287.428 4.113 10 0 CIAERN C[C@@H]1C[C@H](C(=O)N2CCc3sccc3C2)CC(C)(C)C1 ZINC000182769833 260085889 /nfs/dbraw/zinc/08/58/89/260085889.db2.gz RJCUYAQFPVJRNS-OCCSQVGLSA-N 0 0 291.460 4.095 10 0 CIAERN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000220919912 260141322 /nfs/dbraw/zinc/14/13/22/260141322.db2.gz JGBVZAGKQPSRBI-NXEZZACHSA-N 0 0 282.746 4.187 10 0 CIAERN CC[C@@H](Nc1nc(C(F)(F)F)cs1)C(C)C ZINC000309496024 260171077 /nfs/dbraw/zinc/17/10/77/260171077.db2.gz YJYQODZONIWIKC-SSDOTTSWSA-N 0 0 252.305 4.008 10 0 CIAERN CCCn1ccc(CNc2ccc3ncccc3c2)c1 ZINC000091013324 260264703 /nfs/dbraw/zinc/26/47/03/260264703.db2.gz KHFPSUDYGWWQQU-UHFFFAOYSA-N 0 0 265.360 4.058 10 0 CIAERN Cc1nc(CN[C@H](C)c2ccc(F)c(Cl)c2)sc1C ZINC000153904166 261084798 /nfs/dbraw/zinc/08/47/98/261084798.db2.gz PVYFSXKZMPTTQH-SECBINFHSA-N 0 0 298.814 4.403 10 0 CIAERN CC[C@H](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000188055453 261838198 /nfs/dbraw/zinc/83/81/98/261838198.db2.gz JRVFRDAUXXFDOV-NWDGAFQWSA-N 0 0 267.800 4.296 10 0 CIAERN CCc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000020305554 262245078 /nfs/dbraw/zinc/24/50/78/262245078.db2.gz WPIJDHJJCYYZRG-ZDUSSCGKSA-N 0 0 257.352 4.239 10 0 CIAERN CC(C)c1ccc([C@@H](C)NC(=O)c2cnn(C(C)C)c2)cc1 ZINC000188580555 262319811 /nfs/dbraw/zinc/31/98/11/262319811.db2.gz JIZWCRUOVPPERD-CQSZACIVSA-N 0 0 299.418 4.078 10 0 CIAERN CCn1c2ccccc2nc1[C@@H](C)NCc1cccc(F)c1 ZINC000127063646 264247922 /nfs/dbraw/zinc/24/79/22/264247922.db2.gz ZNXVTIZBYWOLRB-CYBMUJFWSA-N 0 0 297.377 4.046 10 0 CIAERN C[C@H](Nc1ncccc1F)c1ccc(Cl)s1 ZINC000054700769 264344026 /nfs/dbraw/zinc/34/40/26/264344026.db2.gz QMIUDRXSWMENRC-ZETCQYMHSA-N 0 0 256.733 4.109 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccnc(Cl)c2)cc1F ZINC000129877183 264340423 /nfs/dbraw/zinc/34/04/23/264340423.db2.gz IGQGABUBWCIPDS-SNVBAGLBSA-N 0 0 264.731 4.356 10 0 CIAERN CCc1nc(Cl)c(C)c(N[C@H](C)c2cccs2)n1 ZINC000093536529 264510302 /nfs/dbraw/zinc/51/03/02/264510302.db2.gz CZHPDEZHECTHMT-SECBINFHSA-N 0 0 281.812 4.235 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cc(Cl)nc(C)n2)cc1F ZINC000094958157 264542544 /nfs/dbraw/zinc/54/25/44/264542544.db2.gz ITXSJSLJWPAOBX-SECBINFHSA-N 0 0 279.746 4.059 10 0 CIAERN CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(C)C ZINC000094597840 265246109 /nfs/dbraw/zinc/24/61/09/265246109.db2.gz AKFUXUZZHACAQR-LBPRGKRZSA-N 0 0 291.288 4.009 10 0 CIAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)cc1F ZINC000094837364 265262067 /nfs/dbraw/zinc/26/20/67/265262067.db2.gz XFQOPJIPOXGXBX-STQMWFEESA-N 0 0 273.351 4.252 10 0 CIAERN CC[C@H](Nc1cc(OC)ccc1F)c1ccccc1OC ZINC000094854364 265265055 /nfs/dbraw/zinc/26/50/55/265265055.db2.gz HYWUIUDASIRNMR-HNNXBMFYSA-N 0 0 289.350 4.406 10 0 CIAERN CCCc1nsc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000094957841 265278961 /nfs/dbraw/zinc/27/89/61/265278961.db2.gz YANVESHKZLSDEX-JTQLQIEISA-N 0 0 279.384 4.111 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cnc3ccccc3n2)cc1F ZINC000094957831 265279043 /nfs/dbraw/zinc/27/90/43/265279043.db2.gz JHWDESIEPGPPRQ-GFCCVEGCSA-N 0 0 281.334 4.250 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ncnc3ccsc32)cc1F ZINC000094957785 265279081 /nfs/dbraw/zinc/27/90/81/265279081.db2.gz KKOYZPVDDNPXIO-SNVBAGLBSA-N 0 0 287.363 4.312 10 0 CIAERN O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1c1ccco1 ZINC000116046219 267120919 /nfs/dbraw/zinc/12/09/19/267120919.db2.gz YQRWSMAFJGTTMA-ZDUSSCGKSA-N 0 0 293.725 4.049 10 0 CIAERN O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1ccco1 ZINC000116046220 267121151 /nfs/dbraw/zinc/12/11/51/267121151.db2.gz YQRWSMAFJGTTMA-CYBMUJFWSA-N 0 0 293.725 4.049 10 0 CIAERN O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116045308 267121184 /nfs/dbraw/zinc/12/11/84/267121184.db2.gz HIAFVFQRMPYJDP-CYBMUJFWSA-N 0 0 293.725 4.049 10 0 CIAERN CC(C)c1nc(CN2CCC[C@@H]2c2ccco2)cs1 ZINC000116293585 267137881 /nfs/dbraw/zinc/13/78/81/267137881.db2.gz UZBZPMFKWCTXFJ-CYBMUJFWSA-N 0 0 276.405 4.197 10 0 CIAERN CC(C)c1nc(CN2CCC[C@H]2c2ccco2)cs1 ZINC000116293587 267138071 /nfs/dbraw/zinc/13/80/71/267138071.db2.gz UZBZPMFKWCTXFJ-ZDUSSCGKSA-N 0 0 276.405 4.197 10 0 CIAERN Cc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116477121 267153100 /nfs/dbraw/zinc/15/31/00/267153100.db2.gz QRSBATUELNENKE-CQSZACIVSA-N 0 0 288.322 4.096 10 0 CIAERN Cc1cnccc1NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000120383447 267436742 /nfs/dbraw/zinc/43/67/42/267436742.db2.gz QHUDGEGNPORANR-YVEFUNNKSA-N 0 0 295.386 4.150 10 0 CIAERN C[C@H](NC(=O)N(C)C1CCCC1)c1ccc(F)c(Cl)c1 ZINC000172018251 335088889 /nfs/dbraw/zinc/08/88/89/335088889.db2.gz MDSSJNFTROWUGQ-JTQLQIEISA-N 0 0 298.789 4.124 10 0 CIAERN CC(C)n1ccnc1CN(C)c1cccc2ccccc21 ZINC000170958461 327679726 /nfs/dbraw/zinc/67/97/26/327679726.db2.gz CBOBQTPNJVFJRN-UHFFFAOYSA-N 0 0 279.387 4.254 10 0 CIAERN Cc1cc(Br)ccc1N[C@H](C)c1cncs1 ZINC000163071128 327705873 /nfs/dbraw/zinc/70/58/73/327705873.db2.gz BAPAWVWZVIEABO-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN CC(C)Nc1cccc(F)c1NCc1nccn1C(C)C ZINC000180638758 327806699 /nfs/dbraw/zinc/80/66/99/327806699.db2.gz HDPMFHYLRYBJJR-UHFFFAOYSA-N 0 0 290.386 4.036 10 0 CIAERN C/C(=C\C(C)(C)C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000185548689 327840796 /nfs/dbraw/zinc/84/07/96/327840796.db2.gz SFMJNSMECAFCME-XZHRJIJLSA-N 0 0 292.448 4.189 10 0 CIAERN C[C@@H](Nc1ccc(F)cn1)c1cccc(Br)c1 ZINC000041075050 328026226 /nfs/dbraw/zinc/02/62/26/328026226.db2.gz KQRSEGOSZSRFST-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN CC(C)[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000048851141 328325643 /nfs/dbraw/zinc/32/56/43/328325643.db2.gz BQWDIFNVOZCQCV-ABAIWWIYSA-N 0 0 294.826 4.135 10 0 CIAERN O=C(Nc1ccccc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000048954912 328326662 /nfs/dbraw/zinc/32/66/62/328326662.db2.gz TWIOTVVFCSUXLT-HNNXBMFYSA-N 0 0 286.762 4.149 10 0 CIAERN C[C@H]1C[C@H](Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000036955065 326878277 /nfs/dbraw/zinc/87/82/77/326878277.db2.gz OWGBBVQEQROHQE-BBRMVZONSA-N 0 0 288.435 4.015 10 0 CIAERN C[C@@H](NC(=O)Nc1cccnc1)c1ccc2ccccc2c1 ZINC000053246545 326933504 /nfs/dbraw/zinc/93/35/04/326933504.db2.gz KXLNBWMGNMVELZ-CYBMUJFWSA-N 0 0 291.354 4.118 10 0 CIAERN Fc1cccc2c1CC[C@@H]2NCc1ccsc1Cl ZINC000312751709 326960467 /nfs/dbraw/zinc/96/04/67/326960467.db2.gz ITXRCMQDXOCNMZ-ZDUSSCGKSA-N 0 0 281.783 4.318 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)N(C)[C@H](C)c1ccco1 ZINC000069620504 327100324 /nfs/dbraw/zinc/10/03/24/327100324.db2.gz GUQWAJHNRXFYME-UONOGXRCSA-N 0 0 286.375 4.052 10 0 CIAERN Cc1cc(NCCCCC(F)(F)F)nc(C(C)C)n1 ZINC000128953124 327154802 /nfs/dbraw/zinc/15/48/02/327154802.db2.gz WSSYENFJTKBVCL-UHFFFAOYSA-N 0 0 275.318 4.053 10 0 CIAERN FC(F)(F)CCCCNc1cccc(C(F)(F)F)n1 ZINC000128949555 327154959 /nfs/dbraw/zinc/15/49/59/327154959.db2.gz DUGRGDMJPGBWBG-UHFFFAOYSA-N 0 0 286.219 4.245 10 0 CIAERN CCCn1ccc(CNc2ccccc2OC(F)F)c1 ZINC000091009500 327165084 /nfs/dbraw/zinc/16/50/84/327165084.db2.gz MAEZGRUSQXLQIE-UHFFFAOYSA-N 0 0 280.318 4.112 10 0 CIAERN Cc1ccc(C(=O)c2c(N)sc3c2[C@H]2CC[C@@H]3C2)cc1 ZINC000095882069 327203383 /nfs/dbraw/zinc/20/33/83/327203383.db2.gz BQLUPNHFNDBXIG-NWDGAFQWSA-N 0 0 283.396 4.234 10 0 CIAERN CCC[C@H](C)CC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000109731163 327263243 /nfs/dbraw/zinc/26/32/43/327263243.db2.gz NUOOAWCOIAMLRV-NHYWBVRUSA-N 0 0 279.811 4.270 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2ccc(C)cc2)c1 ZINC000094854791 328626890 /nfs/dbraw/zinc/62/68/90/328626890.db2.gz HHYHYAJYIRWONB-LBPRGKRZSA-N 0 0 259.324 4.316 10 0 CIAERN CC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)o1 ZINC000521401172 328676367 /nfs/dbraw/zinc/67/63/67/328676367.db2.gz UXOIWMBXQHRWDW-UHFFFAOYSA-N 0 0 270.206 4.048 10 0 CIAERN CCCC[C@@H](CC)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000054107639 328685998 /nfs/dbraw/zinc/68/59/98/328685998.db2.gz YWJZAEPOGADFNA-CYBMUJFWSA-N 0 0 274.408 4.200 10 0 CIAERN C[C@H](Nc1ccc(F)cn1)c1ccc(Cl)s1 ZINC000042590626 328769634 /nfs/dbraw/zinc/76/96/34/328769634.db2.gz JCMSZECZARJNDA-ZETCQYMHSA-N 0 0 256.733 4.109 10 0 CIAERN Cc1cccc(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000302241886 328831882 /nfs/dbraw/zinc/83/18/82/328831882.db2.gz OPJMMSYZUVOQGF-KGLIPLIRSA-N 0 0 258.752 4.011 10 0 CIAERN O=C(C1CCCCCCC1)N1CCC[C@H]1c1ccco1 ZINC000172855916 329139448 /nfs/dbraw/zinc/13/94/48/329139448.db2.gz GNICCVDGKXDAOB-HNNXBMFYSA-N 0 0 275.392 4.304 10 0 CIAERN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H]1c1ccco1 ZINC000177684206 329189007 /nfs/dbraw/zinc/18/90/07/329189007.db2.gz WNBWSMSMTHXBHB-CHWSQXEVSA-N 0 0 288.391 4.463 10 0 CIAERN Cc1ccc(N[C@H](C)c2nccs2)cc1-c1ncco1 ZINC000180006368 329214371 /nfs/dbraw/zinc/21/43/71/329214371.db2.gz DVUOYFSEAJYWNJ-LLVKDONJSA-N 0 0 285.372 4.280 10 0 CIAERN CC[C@H](NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccncc1 ZINC000180257854 329219159 /nfs/dbraw/zinc/21/91/59/329219159.db2.gz MQRLMXFYPBCWHR-IMJJTQAJSA-N 0 0 288.435 4.111 10 0 CIAERN CCCCC[C@H](CC)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180786223 329223132 /nfs/dbraw/zinc/22/31/32/329223132.db2.gz CAZXJWULRSRKIS-HOCLYGCPSA-N 0 0 291.439 4.070 10 0 CIAERN CCCCC[C@@H](CC)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180786168 329223235 /nfs/dbraw/zinc/22/32/35/329223235.db2.gz CAZXJWULRSRKIS-GDBMZVCRSA-N 0 0 291.439 4.070 10 0 CIAERN CCc1cnc(NCc2c[nH]nc2-c2ccc(C)cc2)s1 ZINC000185964728 329337338 /nfs/dbraw/zinc/33/73/38/329337338.db2.gz HQKVHODJLIVFAT-UHFFFAOYSA-N 0 0 298.415 4.016 10 0 CIAERN C[C@H](CC1CCCC1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116048386 329544669 /nfs/dbraw/zinc/54/46/69/329544669.db2.gz LXLISLUDJLLJOY-UKRRQHHQSA-N 0 0 275.392 4.160 10 0 CIAERN CCCC[C@@H](CC)CC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000117260532 329545831 /nfs/dbraw/zinc/54/58/31/329545831.db2.gz ZYBIEGFLWYKVGW-ZBFHGGJFSA-N 0 0 291.439 4.070 10 0 CIAERN CC(C)c1csc([C@@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000127745350 329602042 /nfs/dbraw/zinc/60/20/42/329602042.db2.gz FAKHOKJTZFMBGV-SNVBAGLBSA-N 0 0 292.370 4.008 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccsc2)o1 ZINC000128608527 329610140 /nfs/dbraw/zinc/61/01/40/329610140.db2.gz YDJHWXFDVJHNPB-AWEZNQCLSA-N 0 0 289.400 4.271 10 0 CIAERN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ncc[nH]1 ZINC000138975229 329678536 /nfs/dbraw/zinc/67/85/36/329678536.db2.gz VLBMOJYLSVUQBY-IUCAKERBSA-N 0 0 284.190 4.128 10 0 CIAERN CCn1c(C)nnc1CS[C@H](C)c1ccc(Cl)cc1 ZINC000194700284 329688200 /nfs/dbraw/zinc/68/82/00/329688200.db2.gz XGBGIFRPHPCIPC-SNVBAGLBSA-N 0 0 295.839 4.254 10 0 CIAERN CCn1c(C)nnc1CS[C@@H](C)c1ccccc1Cl ZINC000194698292 329688230 /nfs/dbraw/zinc/68/82/30/329688230.db2.gz GWOCJCXXOXELBV-JTQLQIEISA-N 0 0 295.839 4.254 10 0 CIAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cccs1 ZINC000245930497 329760622 /nfs/dbraw/zinc/76/06/22/329760622.db2.gz JCBPCVOXGKYSHH-UTUOFQBUSA-N 0 0 291.441 4.099 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccsc1 ZINC000071856111 329857154 /nfs/dbraw/zinc/85/71/54/329857154.db2.gz SEAPGGKIIZXREG-JTQLQIEISA-N 0 0 279.792 4.235 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000247469431 329881053 /nfs/dbraw/zinc/88/10/53/329881053.db2.gz RZAOFCNBKJFMBI-JDFRZJQESA-N 0 0 298.386 4.052 10 0 CIAERN C[C@@H]1CC[C@@H](NC(=O)Cc2cccs2)c2ccccc21 ZINC000162735030 330110774 /nfs/dbraw/zinc/11/07/74/330110774.db2.gz NKGHRUOIAJPZJF-MLGOLLRUSA-N 0 0 285.412 4.045 10 0 CIAERN FC(F)(F)c1ccc(NCc2cccc3c2OCO3)cc1 ZINC000036167703 330251800 /nfs/dbraw/zinc/25/18/00/330251800.db2.gz JKQBOSIAWSWUON-UHFFFAOYSA-N 0 0 295.260 4.046 10 0 CIAERN CCC(=O)Nc1ccc(C)c(N[C@@H](C)CC(C)C)c1 ZINC000036935678 330314721 /nfs/dbraw/zinc/31/47/21/330314721.db2.gz IFJAKVBMIRHHAG-ZDUSSCGKSA-N 0 0 262.397 4.190 10 0 CIAERN COCc1ccccc1NC1CC(c2ccccc2C)C1 ZINC000036939094 330317539 /nfs/dbraw/zinc/31/75/39/330317539.db2.gz OBBVTZHEQOWGFD-UHFFFAOYSA-N 0 0 281.399 4.500 10 0 CIAERN Cc1ccc(CCCC(=O)N[C@H](C)c2cccs2)cc1 ZINC000044315255 330327475 /nfs/dbraw/zinc/32/74/75/330327475.db2.gz SSYJZYCKGUXEOP-CQSZACIVSA-N 0 0 287.428 4.257 10 0 CIAERN Cc1ccccc1[C@@H](NCc1ccco1)c1ccccc1 ZINC000105689631 330327837 /nfs/dbraw/zinc/32/78/37/330327837.db2.gz HRGNSYYRODWHNW-IBGZPJMESA-N 0 0 277.367 4.467 10 0 CIAERN Fc1cccc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000108197203 330353031 /nfs/dbraw/zinc/35/30/31/330353031.db2.gz BXPQYCGSPZRJKN-HNNXBMFYSA-N 0 0 293.345 4.258 10 0 CIAERN Cc1ccc(C)c(N(C)C(=O)c2ccc3cc[nH]c3c2)c1 ZINC000055896034 330366721 /nfs/dbraw/zinc/36/67/21/330366721.db2.gz LCUHJWVFMVWICI-UHFFFAOYSA-N 0 0 278.355 4.061 10 0 CIAERN CC[C@H](NCc1cc(Cl)cs1)c1nccs1 ZINC000086332916 330369366 /nfs/dbraw/zinc/36/93/66/330369366.db2.gz ZKOYPVAUMXEZLJ-JTQLQIEISA-N 0 0 272.826 4.099 10 0 CIAERN CCC(CC)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119064163 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/nfs/dbraw/zinc/29/16/21/335291621.db2.gz BKJPFWZHVQFMFT-AWEZNQCLSA-N 0 0 271.408 4.333 10 0 CIAERN Cc1cnc(N[C@H](C)c2ccc(Cl)s2)s1 ZINC000380109634 335324501 /nfs/dbraw/zinc/32/45/01/335324501.db2.gz NVDZKDXFFBBCQE-SSDOTTSWSA-N 0 0 258.799 4.340 10 0 CIAERN CC1(C)CCC[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000179247862 335483287 /nfs/dbraw/zinc/48/32/87/335483287.db2.gz JHBBPMNUWPFPBK-NEPJUHHUSA-N 0 0 291.357 4.004 10 0 CIAERN Cc1cc(C)c(CC(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000180183709 335558352 /nfs/dbraw/zinc/55/83/52/335558352.db2.gz ZJEYSWDDQGEVBE-QGZVFWFLSA-N 0 0 297.398 4.111 10 0 CIAERN CCn1c(C)nnc1CSCc1ccc(C(C)C)cc1 ZINC000195203074 336049352 /nfs/dbraw/zinc/04/93/52/336049352.db2.gz SPRAGTOVUIYRDK-UHFFFAOYSA-N 0 0 289.448 4.163 10 0 CIAERN CC(C)c1nn(C)cc1N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000383605256 336115007 /nfs/dbraw/zinc/11/50/07/336115007.db2.gz KBIAWAINBLBQIP-IUODEOHRSA-N 0 0 269.392 4.204 10 0 CIAERN COc1cc2c(cc1CNc1cscc1C)O[C@H](C)C2 ZINC000387142036 336186322 /nfs/dbraw/zinc/18/63/22/336186322.db2.gz VQTMOTGIRNYKMF-LLVKDONJSA-N 0 0 289.400 4.001 10 0 CIAERN CC(C)C/C(=C\c1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000054929697 519546834 /nfs/dbraw/zinc/54/68/34/519546834.db2.gz QFJOOVBBCWLHPV-XYOKQWHBSA-N 0 0 273.254 4.369 10 0 CIAERN Cc1ccc(C[C@H](CO)Cc2cccc(Cl)c2)cc1 ZINC000041412309 518188820 /nfs/dbraw/zinc/18/88/20/518188820.db2.gz NAOWFYGZPBWFHQ-INIZCTEOSA-N 0 0 274.791 4.042 10 0 CIAERN Brc1cccc(-c2nnc(C3CCCC3)o2)c1 ZINC000050309407 518218136 /nfs/dbraw/zinc/21/81/36/518218136.db2.gz FZHJADHEHGEYCQ-UHFFFAOYSA-N 0 0 293.164 4.157 10 0 CIAERN CC(=O)c1ccc(Oc2nc(C3CC3)ns2)c(Cl)c1 ZINC000120385564 518400404 /nfs/dbraw/zinc/40/04/04/518400404.db2.gz ICCPZAYDKBQWKD-UHFFFAOYSA-N 0 0 294.763 4.064 10 0 CIAERN CC(=O)c1ccc(SCc2cccc(C)c2)cc1 ZINC000054965808 518410450 /nfs/dbraw/zinc/41/04/50/518410450.db2.gz DWXDOOHMVFWHIJ-UHFFFAOYSA-N 0 0 256.370 4.490 10 0 CIAERN C/C=C/c1ccccc1Oc1cc(C)nc(Cl)n1 ZINC000052813906 518556094 /nfs/dbraw/zinc/55/60/94/518556094.db2.gz XBBTYXOOGCHIQY-ZZXKWVIFSA-N 0 0 260.724 4.264 10 0 CIAERN CC(C)(C)c1nc2cc(N)ccc2n1-c1ccc(F)cc1 ZINC000052842903 519105893 /nfs/dbraw/zinc/10/58/93/519105893.db2.gz YWIRBEZZQNUJEG-UHFFFAOYSA-N 0 0 283.350 4.044 10 0 CIAERN CC(C)(c1ccccc1)[C@H](O)Cc1ccc(Cl)cc1 ZINC000062773044 519379343 /nfs/dbraw/zinc/37/93/43/519379343.db2.gz UJAQHDGRYJEVKL-MRXNPFEDSA-N 0 0 274.791 4.221 10 0 CIAERN CC(=O)Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000062770068 519437493 /nfs/dbraw/zinc/43/74/93/519437493.db2.gz KWBBTFCRYNAPAQ-UHFFFAOYSA-N 0 0 293.160 4.149 10 0 CIAERN CC(C)Cc1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000139060137 519451091 /nfs/dbraw/zinc/45/10/91/519451091.db2.gz LDOLTRLQVNBVKS-KBPBESRZSA-N 0 0 271.408 4.020 10 0 CIAERN CC(C)N(CC(F)(F)F)c1ccc([C@@H](C)O)cc1Cl ZINC000061696826 519638771 /nfs/dbraw/zinc/63/87/71/519638771.db2.gz JJHBNYUNNOXNAF-SECBINFHSA-N 0 0 295.732 4.170 10 0 CIAERN CC(C)N(Cc1cccs1)c1ccccc1[C@@H](C)O ZINC000049030085 519662255 /nfs/dbraw/zinc/66/22/55/519662255.db2.gz TYJWVICWVBQXOU-CYBMUJFWSA-N 0 0 275.417 4.216 10 0 CIAERN CC(C)C[C@@H](C)OCc1ccccc1Br ZINC000049601075 519774224 /nfs/dbraw/zinc/77/42/24/519774224.db2.gz OTDMUYDPMRKCSA-LLVKDONJSA-N 0 0 271.198 4.400 10 0 CIAERN CC(C)[C@@H](Nc1ccc(N)cc1F)c1cccs1 ZINC000049555090 519799805 /nfs/dbraw/zinc/79/98/05/519799805.db2.gz JMNFVQPPPSRMDK-CQSZACIVSA-N 0 0 264.369 4.279 10 0 CIAERN CC(C)c1ccc(C[C@@H](O)c2ccccc2F)cc1 ZINC000062774190 519836392 /nfs/dbraw/zinc/83/63/92/519836392.db2.gz BVOAQDKFEKEKOJ-QGZVFWFLSA-N 0 0 258.336 4.225 10 0 CIAERN CC(C)c1ccc(C[C@H](O)c2ccccc2F)cc1 ZINC000062774189 519836411 /nfs/dbraw/zinc/83/64/11/519836411.db2.gz BVOAQDKFEKEKOJ-KRWDZBQOSA-N 0 0 258.336 4.225 10 0 CIAERN CCCC1CCC(O)(c2ccc(F)c(F)c2F)CC1 ZINC000061837757 519899434 /nfs/dbraw/zinc/89/94/34/519899434.db2.gz NZNGSNREHDWKDH-UHFFFAOYSA-N 0 0 272.310 4.282 10 0 CIAERN CC(C)n1c2cc(F)ccc2nc1-c1ccc(N)cc1 ZINC000052124961 519925399 /nfs/dbraw/zinc/92/53/99/519925399.db2.gz WFEMQXISCNGAOE-UHFFFAOYSA-N 0 0 269.323 4.006 10 0 CIAERN CC(C)n1cc(N[C@H]2CCCc3sccc32)cn1 ZINC000061683185 519967134 /nfs/dbraw/zinc/96/71/34/519967134.db2.gz YIWBNGYOODBHIF-ZDUSSCGKSA-N 0 0 261.394 4.015 10 0 CIAERN CCCCCC[C@@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC000049070123 520123405 /nfs/dbraw/zinc/12/34/05/520123405.db2.gz SSHCLMNCTDQOJT-CQSZACIVSA-N 0 0 265.328 4.121 10 0 CIAERN CCCCCOCc1cc(Br)ccc1OC ZINC000049601177 520246290 /nfs/dbraw/zinc/24/62/90/520246290.db2.gz UXVKLQOUBHZJHY-UHFFFAOYSA-N 0 0 287.197 4.165 10 0 CIAERN CCNc1cc(C(C)C)nc(-c2sccc2C)n1 ZINC000050865340 520266561 /nfs/dbraw/zinc/26/65/61/520266561.db2.gz CTCSJLYRJKHQNM-UHFFFAOYSA-N 0 0 261.394 4.069 10 0 CIAERN CCNc1cc(CS[C@H]2CCC[C@H](C)C2)ccn1 ZINC000054696019 520272485 /nfs/dbraw/zinc/27/24/85/520272485.db2.gz BHJFTXCWLGAWQE-JSGCOSHPSA-N 0 0 264.438 4.325 10 0 CIAERN CCNc1ccc(Cl)c(CSc2ccccc2O)n1 ZINC000061640781 520309428 /nfs/dbraw/zinc/30/94/28/520309428.db2.gz FQBRDINIZVKLDP-UHFFFAOYSA-N 0 0 294.807 4.165 10 0 CIAERN CCCOc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1 ZINC000052919495 520316953 /nfs/dbraw/zinc/31/69/53/520316953.db2.gz FTOSXSGNRIKEHI-UHFFFAOYSA-N 0 0 276.767 4.203 10 0 CIAERN CCCOc1ccc(-c2nc(Cl)cc(Cl)n2)cc1 ZINC000058049026 520316993 /nfs/dbraw/zinc/31/69/93/520316993.db2.gz FCPTWUIETYEHPH-UHFFFAOYSA-N 0 0 283.158 4.239 10 0 CIAERN CCCCN(C(=O)c1cc(Cl)ccc1O)[C@@H](C)CC ZINC000055487520 520355244 /nfs/dbraw/zinc/35/52/44/520355244.db2.gz NDEAQIXKNWUZBV-NSHDSACASA-N 0 0 283.799 4.086 10 0 CIAERN CCC[C@@H](Nc1ccc(F)cc1N)c1cccs1 ZINC000049542237 520795442 /nfs/dbraw/zinc/79/54/42/520795442.db2.gz FOFSSYQUSXANAK-CYBMUJFWSA-N 0 0 264.369 4.423 10 0 CIAERN CCC[C@H](Nc1ccc(F)cc1N)c1cccs1 ZINC000049542236 521179314 /nfs/dbraw/zinc/17/93/14/521179314.db2.gz FOFSSYQUSXANAK-ZDUSSCGKSA-N 0 0 264.369 4.423 10 0 CIAERN CCC(=O)c1ccc(-c2cccc3c2CCCC3)o1 ZINC000054106789 521239745 /nfs/dbraw/zinc/23/97/45/521239745.db2.gz WWDVDERCQYDUDF-UHFFFAOYSA-N 0 0 254.329 4.418 10 0 CIAERN CCC[C@](O)(c1ccccc1)c1ccc(C)cc1C ZINC000055235396 521296827 /nfs/dbraw/zinc/29/68/27/521296827.db2.gz WAPOEUNMLVOZLD-SFHVURJKSA-N 0 0 254.373 4.339 10 0 CIAERN CCCCc1nc(Cl)c(CN[C@@H](C)c2cccs2)[nH]1 ZINC000088398792 521302113 /nfs/dbraw/zinc/30/21/13/521302113.db2.gz GOMIOUHAANXOIU-JTQLQIEISA-N 0 0 297.855 4.318 10 0 CIAERN CCN(c1ccc([C@@H](C)O)cc1Cl)C1CCCC1 ZINC000061695379 521492182 /nfs/dbraw/zinc/49/21/82/521492182.db2.gz HGKHUEIHZUJPOY-LLVKDONJSA-N 0 0 267.800 4.162 10 0 CIAERN CCN(c1ccccc1)c1cc(C)nc2nc(C)ccc12 ZINC000047162264 521500367 /nfs/dbraw/zinc/50/03/67/521500367.db2.gz LNSROUURLXAYKX-UHFFFAOYSA-N 0 0 277.371 4.405 10 0 CIAERN CC[C@H](C)Oc1cccc(NC2=N[C@@H](CC)CS2)c1 ZINC000051781503 521780818 /nfs/dbraw/zinc/78/08/18/521780818.db2.gz PHFDRABWKROBBN-RYUDHWBXSA-N 0 0 278.421 4.157 10 0 CIAERN CC[C@@H](C)Cn1c2c(ccc(F)c2F)[nH]c1=S ZINC000054475474 522031421 /nfs/dbraw/zinc/03/14/21/522031421.db2.gz HFPOBTDOLIBXNE-SSDOTTSWSA-N 0 0 256.321 4.023 10 0 CIAERN CC[C@@H](C)N(CC)c1ccc([C@@H](C)O)cc1Cl ZINC000061695272 522084185 /nfs/dbraw/zinc/08/41/85/522084185.db2.gz NUHFHVUCTOUGFO-GHMZBOCLSA-N 0 0 255.789 4.018 10 0 CIAERN CC[C@@H](C)Oc1cccc(Nc2nccnc2Cl)c1 ZINC000051781743 522273432 /nfs/dbraw/zinc/27/34/32/522273432.db2.gz MCOOGZLQHQUCLF-SNVBAGLBSA-N 0 0 277.755 4.051 10 0 CIAERN CC[C@@H](C)c1ccccc1Oc1nc(Cl)nc(Cl)n1 ZINC000061517848 522438481 /nfs/dbraw/zinc/43/84/81/522438481.db2.gz UTLMHMURBIKBIL-MRVPVSSYSA-N 0 0 298.173 4.484 10 0 CIAERN COc1cc(Cl)c(C)cc1N[C@H](C)Cc1ccco1 ZINC000062769466 522520302 /nfs/dbraw/zinc/52/03/02/522520302.db2.gz ITVQNVPWXIFVON-LLVKDONJSA-N 0 0 279.767 4.293 10 0 CIAERN COc1cc(Cl)c(C)cc1N[C@@H](C)Cc1ccco1 ZINC000062769465 522520364 /nfs/dbraw/zinc/52/03/64/522520364.db2.gz ITVQNVPWXIFVON-NSHDSACASA-N 0 0 279.767 4.293 10 0 CIAERN CNc1cc(C(C)(C)C)nc(-c2cc(C)sc2C)n1 ZINC000050865007 522562841 /nfs/dbraw/zinc/56/28/41/522562841.db2.gz VYAGJXGOFGKDIV-UHFFFAOYSA-N 0 0 275.421 4.161 10 0 CIAERN CNc1nc(-c2cc(Cl)cc(Cl)c2)nc(C)c1C ZINC000050865932 522673760 /nfs/dbraw/zinc/67/37/60/522673760.db2.gz VZAXUTJKDRGVBB-UHFFFAOYSA-N 0 0 282.174 4.109 10 0 CIAERN CNc1nc(-c2c(F)cccc2Cl)nc2sccc21 ZINC000052903558 522675431 /nfs/dbraw/zinc/67/54/31/522675431.db2.gz HWSTYARGNWOGOV-UHFFFAOYSA-N 0 0 293.754 4.193 10 0 CIAERN CC[C@H](N[C@H](C)c1csc(C)n1)c1cccs1 ZINC000049529406 522745609 /nfs/dbraw/zinc/74/56/09/522745609.db2.gz SHMBYLCHPNSGJK-KOLCDFICSA-N 0 0 266.435 4.315 10 0 CIAERN CC[C@H](Nc1ccccc1[C@@H](C)O)c1cccs1 ZINC000049542677 522776361 /nfs/dbraw/zinc/77/63/61/522776361.db2.gz XDHHJNNYWXEVSN-YPMHNXCESA-N 0 0 261.390 4.365 10 0 CIAERN CC[C@H](Nc1nc2ccccc2[nH]1)c1cccs1 ZINC000049531162 522779289 /nfs/dbraw/zinc/77/92/89/522779289.db2.gz NWYLIYKNKMYXGY-JTQLQIEISA-N 0 0 257.362 4.188 10 0 CIAERN COCc1cccc2c(Cl)cc(C(F)(F)F)nc12 ZINC000049511437 523086306 /nfs/dbraw/zinc/08/63/06/523086306.db2.gz ZXYICYDBMGWMRN-UHFFFAOYSA-N 0 0 275.657 4.053 10 0 CIAERN CCn1cc([C@H](C)Nc2ccc(C(F)(F)F)cc2)cn1 ZINC000044494506 523478472 /nfs/dbraw/zinc/47/84/72/523478472.db2.gz VAQWZHHVXDEMNU-JTQLQIEISA-N 0 0 283.297 4.095 10 0 CIAERN COc1ccc(Br)cc1COCCC(C)C ZINC000049600958 523503065 /nfs/dbraw/zinc/50/30/65/523503065.db2.gz KLDLUEWGICAYSS-UHFFFAOYSA-N 0 0 287.197 4.020 10 0 CIAERN COc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000050038243 523594459 /nfs/dbraw/zinc/59/44/59/523594459.db2.gz VJMDKCUXOSUUFT-UHFFFAOYSA-N 0 0 295.165 4.427 10 0 CIAERN CN(c1cccc(Cl)c1C(N)=S)C1CCCCCC1 ZINC000052905234 523646878 /nfs/dbraw/zinc/64/68/78/523646878.db2.gz XPMMXOZWHHRYOS-UHFFFAOYSA-N 0 0 296.867 4.133 10 0 CIAERN CCc1c2ccccc2oc1-c1csc(NC)n1 ZINC000061714284 523730743 /nfs/dbraw/zinc/73/07/43/523730743.db2.gz LFDIMZMZNDMTPZ-UHFFFAOYSA-N 0 0 258.346 4.160 10 0 CIAERN CCc1ccc(-c2nc(Cl)cc(Cl)n2)cc1 ZINC000058048966 523861762 /nfs/dbraw/zinc/86/17/62/523861762.db2.gz NKUZYTATAPDATQ-UHFFFAOYSA-N 0 0 253.132 4.013 10 0 CIAERN Cc1ccc(C)c(COc2ccc(N)cc2Cl)c1 ZINC000049256476 524105669 /nfs/dbraw/zinc/10/56/69/524105669.db2.gz DKRZFSPGXOREGF-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN Cc1ccc(C)c(COc2ccc(Cl)cc2N)c1 ZINC000049256473 524107023 /nfs/dbraw/zinc/10/70/23/524107023.db2.gz PXWYXVJOVZPJDP-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN Cc1ccc(C)c(CSc2ccc(N)cc2F)c1 ZINC000049256929 524108438 /nfs/dbraw/zinc/10/84/38/524108438.db2.gz IRSFPHKKEJMOIR-UHFFFAOYSA-N 0 0 261.365 4.317 10 0 CIAERN C[C@H](CCc1ccco1)Nc1cc(F)c(F)c(F)c1 ZINC000061115813 524262832 /nfs/dbraw/zinc/26/28/32/524262832.db2.gz LDEOBQMKXNEPOT-SECBINFHSA-N 0 0 269.266 4.130 10 0 CIAERN Cc1ccc(CC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000062791760 524279239 /nfs/dbraw/zinc/27/92/39/524279239.db2.gz FGWAFVKDXFBWTH-UHFFFAOYSA-N 0 0 262.711 4.213 10 0 CIAERN C[C@@H]1CC[C@@H](CC(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000128440363 524579990 /nfs/dbraw/zinc/57/99/90/524579990.db2.gz QAELSPVNBIQIED-MGPQQGTHSA-N 0 0 292.448 4.023 10 0 CIAERN C[C@H](Cc1ccco1)Nc1cc(Cl)ccc1N(C)C ZINC000062771542 524746367 /nfs/dbraw/zinc/74/63/67/524746367.db2.gz FRNGQPDRBAVCCT-LLVKDONJSA-N 0 0 278.783 4.042 10 0 CIAERN Cc1cc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000044692317 524776723 /nfs/dbraw/zinc/77/67/23/524776723.db2.gz BMZQUXFUKAQKDJ-CYBMUJFWSA-N 0 0 272.392 4.131 10 0 CIAERN Cc1cc(CNc2c(F)cccc2F)ccc1F ZINC000050544882 524786897 /nfs/dbraw/zinc/78/68/97/524786897.db2.gz SFYAXZWBAVAZQV-UHFFFAOYSA-N 0 0 251.251 4.024 10 0 CIAERN Cc1cc(CNc2ccc(F)cc2Cl)c(C)n1C ZINC000052789805 524787244 /nfs/dbraw/zinc/78/72/44/524787244.db2.gz HGVHUWJBASGREB-UHFFFAOYSA-N 0 0 266.747 4.047 10 0 CIAERN Cc1cccc([C@@H](O)c2cccc(Cl)c2Cl)c1 ZINC000055202030 524839706 /nfs/dbraw/zinc/83/97/06/524839706.db2.gz UITJVZWVECVQOF-CQSZACIVSA-N 0 0 267.155 4.384 10 0 CIAERN Cc1ccc(F)cc1[C@](C)(O)c1cccc(Cl)c1 ZINC000055191124 524875075 /nfs/dbraw/zinc/87/50/75/524875075.db2.gz YEFRIJUOHAZFSE-OAHLLOKOSA-N 0 0 264.727 4.043 10 0 CIAERN C[C@H]1C[C@H](OC(=O)c2cccnc2Cl)CC(C)(C)C1 ZINC000070249239 524936306 /nfs/dbraw/zinc/93/63/06/524936306.db2.gz ZASGMTWRFFUFJS-QWRGUYRKSA-N 0 0 281.783 4.107 10 0 CIAERN Cc1cccc2c(Cl)nc(-c3cccc(F)c3)nc12 ZINC000062772431 524937384 /nfs/dbraw/zinc/93/73/84/524937384.db2.gz VXIYYQADCZODAN-UHFFFAOYSA-N 0 0 272.710 4.398 10 0 CIAERN Cc1cccc2nc(-c3cccs3)nc(Cl)c12 ZINC000062772476 524974074 /nfs/dbraw/zinc/97/40/74/524974074.db2.gz GBVWZURPWDOVDT-UHFFFAOYSA-N 0 0 260.749 4.320 10 0 CIAERN Cc1cc(F)ccc1[C@@](C)(O)c1ccc(Cl)cc1 ZINC000055191038 525005372 /nfs/dbraw/zinc/00/53/72/525005372.db2.gz CBVCGWLAMIFMKW-HNNXBMFYSA-N 0 0 264.727 4.043 10 0 CIAERN Cc1cc(N)ccc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000049515507 525038555 /nfs/dbraw/zinc/03/85/55/525038555.db2.gz QYBYXUWKOXSCNJ-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1cc(N)cnc1Nc1cc(Cl)ccc1Cl ZINC000052812386 525040837 /nfs/dbraw/zinc/04/08/37/525040837.db2.gz SAIHGYBEEPKCSK-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN Cc1cc(N[C@@H](C)c2cccc(Cl)c2)ccc1N ZINC000049515153 525291961 /nfs/dbraw/zinc/29/19/61/525291961.db2.gz FPAMUBZIRUBDAR-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1cc(N[C@@H]2CCOc3ccccc32)ccc1F ZINC000061117704 525298318 /nfs/dbraw/zinc/29/83/18/525298318.db2.gz RMCLCIUEGCBTFO-OAHLLOKOSA-N 0 0 257.308 4.070 10 0 CIAERN Cc1cc(Oc2ccc(F)cc2Cl)ccc1C=O ZINC000050575662 525386636 /nfs/dbraw/zinc/38/66/36/525386636.db2.gz GCLDEOURBLGGBW-UHFFFAOYSA-N 0 0 264.683 4.392 10 0 CIAERN CSCCCCC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000131105650 525403327 /nfs/dbraw/zinc/40/33/27/525403327.db2.gz GEKHLIDLYSWSRO-NSHDSACASA-N 0 0 285.840 4.051 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1c(N)cccc1Cl ZINC000049525433 525420270 /nfs/dbraw/zinc/42/02/70/525420270.db2.gz ZLTRBNBMSBYZPX-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2Cl)cc1 ZINC000061697381 525476703 /nfs/dbraw/zinc/47/67/03/525476703.db2.gz KIEVOZNVEOOHIN-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN Cc1cc([C@@H](C)Nc2ccc(N)cc2C)c(C)s1 ZINC000049506156 525477894 /nfs/dbraw/zinc/47/78/94/525477894.db2.gz ZNNXERJJYKJLRT-LLVKDONJSA-N 0 0 260.406 4.429 10 0 CIAERN C[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000274947659 525531703 /nfs/dbraw/zinc/53/17/03/525531703.db2.gz UQRRJBRXBHJTQN-UWVGGRQHSA-N 0 0 296.748 4.425 10 0 CIAERN Cc1cc([C@H](C)n2c(=S)[nH]nc2C2CC2)c(C)s1 ZINC000049509967 525534670 /nfs/dbraw/zinc/53/46/70/525534670.db2.gz VZFZBWCQAGUCED-QMMMGPOBSA-N 0 0 279.434 4.106 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(Cl)cn1 ZINC000274947661 525607212 /nfs/dbraw/zinc/60/72/12/525607212.db2.gz UQRRJBRXBHJTQN-VHSXEESVSA-N 0 0 296.748 4.425 10 0 CIAERN C[C@H](Nc1ccc(Cl)cn1)c1cccc(F)c1 ZINC000049531136 525652889 /nfs/dbraw/zinc/65/28/89/525652889.db2.gz CACQISNSUASDNM-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN C[C@H](Nc1ccc(N)cc1F)c1ccccc1Cl ZINC000049506538 525655357 /nfs/dbraw/zinc/65/53/57/525655357.db2.gz NSUXDXHBDGCQRM-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1ccc2ncccc2c1N)c1ccsc1 ZINC000061361353 525664159 /nfs/dbraw/zinc/66/41/59/525664159.db2.gz CUCRLBDJQBNRLT-JTQLQIEISA-N 0 0 269.373 4.052 10 0 CIAERN C[C@@H](Nc1cc(N)cc(F)c1)c1ccc(Cl)cc1 ZINC000049524984 525699199 /nfs/dbraw/zinc/69/91/99/525699199.db2.gz OZNAFEXENWHHBH-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1cccc(F)c1N)c1cccc(Cl)c1 ZINC000049515286 525717397 /nfs/dbraw/zinc/71/73/97/525717397.db2.gz JGCUNEDNBBGWMO-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826581 525738222 /nfs/dbraw/zinc/73/82/22/525738222.db2.gz CPVWDYAYRMKAHY-WDEREUQCSA-N 0 0 265.303 4.278 10 0 CIAERN C[C@@](N)(c1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000052879262 525751108 /nfs/dbraw/zinc/75/11/08/525751108.db2.gz COJMRTLYFHPLDT-HNNXBMFYSA-N 0 0 288.803 4.172 10 0 CIAERN C[C@@](O)(Cc1ccc(F)cc1F)c1ccccc1Cl ZINC000050885506 525780119 /nfs/dbraw/zinc/78/01/19/525780119.db2.gz GOZUSBIENAVTRE-OAHLLOKOSA-N 0 0 282.717 4.068 10 0 CIAERN Cc1ccc(-c2[nH]nc(N)c2-c2cccs2)c(C)c1 ZINC000052901420 525791355 /nfs/dbraw/zinc/79/13/55/525791355.db2.gz JUMCVVGFMFIKEV-UHFFFAOYSA-N 0 0 269.373 4.004 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC2CCCC2)o1 ZINC000127898125 525797665 /nfs/dbraw/zinc/79/76/65/525797665.db2.gz UTPNOCYWZONCBV-HNNXBMFYSA-N 0 0 275.392 4.222 10 0 CIAERN Cc1c(N)cccc1NCc1ccc(C(C)C)cc1 ZINC000062725219 525822333 /nfs/dbraw/zinc/82/23/33/525822333.db2.gz PXDLKNZPCJIRDU-UHFFFAOYSA-N 0 0 254.377 4.313 10 0 CIAERN Cc1ccc(-c2nc3sccc3c(Cl)n2)cc1 ZINC000050790776 525826998 /nfs/dbraw/zinc/82/69/98/525826998.db2.gz VHVBNCDIIFZIHS-UHFFFAOYSA-N 0 0 260.749 4.320 10 0 CIAERN C[C@H](O)c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000050210716 525852046 /nfs/dbraw/zinc/85/20/46/525852046.db2.gz KTTDCMDWBGPQIG-JTQLQIEISA-N 0 0 280.726 4.111 10 0 CIAERN C[C@@H](O)c1ccccc1NCc1ccc(Cl)cc1 ZINC000049541934 525874370 /nfs/dbraw/zinc/87/43/70/525874370.db2.gz DMIFLVKNSUCQJF-LLVKDONJSA-N 0 0 261.752 4.005 10 0 CIAERN C[C@H](OCCNc1ccccc1F)c1ccccc1 ZINC000053554311 525902332 /nfs/dbraw/zinc/90/23/32/525902332.db2.gz VRZHALYUMCAHHW-ZDUSSCGKSA-N 0 0 259.324 4.015 10 0 CIAERN Cc1cnc(C(C)(C)NCc2ccc3ccccc3n2)s1 ZINC000080346345 525980929 /nfs/dbraw/zinc/98/09/29/525980929.db2.gz DCCWDDFLVHTZAK-UHFFFAOYSA-N 0 0 297.427 4.025 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cccs2)o1 ZINC000127693624 525996652 /nfs/dbraw/zinc/99/66/52/525996652.db2.gz VUFNIBKPXXBPAB-GFCCVEGCSA-N 0 0 275.373 4.017 10 0 CIAERN C[C@@H](c1cccc(Cl)c1)n1c(=S)[nH]nc1C1CC1 ZINC000049526352 526074590 /nfs/dbraw/zinc/07/45/90/526074590.db2.gz CTVCZCWDJSPHAL-QMMMGPOBSA-N 0 0 279.796 4.081 10 0 CIAERN Cc1ccc(C)c(-c2[nH]nc(N)c2-c2cccs2)c1 ZINC000052901490 526256477 /nfs/dbraw/zinc/25/64/77/526256477.db2.gz NSXFFEXCQZKDKF-UHFFFAOYSA-N 0 0 269.373 4.004 10 0 CIAERN Cc1coc2ccc(NC(=O)N[C@H](C)CC3CC3)cc12 ZINC000188021573 526295298 /nfs/dbraw/zinc/29/52/98/526295298.db2.gz FOUFHPMLZKXIDA-LLVKDONJSA-N 0 0 272.348 4.051 10 0 CIAERN O=C(C=C1CCC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129976806 526316682 /nfs/dbraw/zinc/31/66/82/526316682.db2.gz SOWJMUMNIPYXIU-MRXNPFEDSA-N 0 0 297.398 4.050 10 0 CIAERN Fc1ccc(C(F)(F)F)cc1Nc1cncc(Cl)n1 ZINC000062667354 526326087 /nfs/dbraw/zinc/32/60/87/526326087.db2.gz CGQDAIQMLMFWMY-UHFFFAOYSA-N 0 0 291.635 4.032 10 0 CIAERN Fc1ccc(CN[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000049855779 526341516 /nfs/dbraw/zinc/34/15/16/526341516.db2.gz IPEPMHBLWBSRBQ-HNNXBMFYSA-N 0 0 291.753 4.093 10 0 CIAERN Fc1ccc2nc(-c3ccsc3)nc(Cl)c2c1 ZINC000062772518 526377255 /nfs/dbraw/zinc/37/72/55/526377255.db2.gz BEWRDCZVCABVHJ-UHFFFAOYSA-N 0 0 264.712 4.151 10 0 CIAERN Fc1cccc(OCCNc2ccccc2Cl)c1F ZINC000062655094 526397610 /nfs/dbraw/zinc/39/76/10/526397610.db2.gz GKMZCGAXZAXZGW-UHFFFAOYSA-N 0 0 283.705 4.109 10 0 CIAERN O=C(OCC1CCCCC1)c1cc(Cl)ccc1F ZINC000070166673 526418202 /nfs/dbraw/zinc/41/82/02/526418202.db2.gz GILZOHHADKYPEW-UHFFFAOYSA-N 0 0 270.731 4.216 10 0 CIAERN O=C(c1ccc(Cl)s1)c1c[nH]c2cc(F)ccc12 ZINC000051171255 526683712 /nfs/dbraw/zinc/68/37/12/526683712.db2.gz XEFPFUPTCWNIBK-UHFFFAOYSA-N 0 0 279.723 4.253 10 0 CIAERN Cc1nc(C)c([C@@H](C)Nc2c(N)cccc2Cl)s1 ZINC000049533791 526747382 /nfs/dbraw/zinc/74/73/82/526747382.db2.gz QEMZGVOKVUKNJN-MRVPVSSYSA-N 0 0 281.812 4.169 10 0 CIAERN Cc1nc(Cl)cc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000052835631 526935575 /nfs/dbraw/zinc/93/55/75/526935575.db2.gz YKLDGMRCEUTUTM-UHFFFAOYSA-N 0 0 287.672 4.201 10 0 CIAERN Clc1nnc(NC2CCCCCC2)c2ccccc12 ZINC000050529228 527012822 /nfs/dbraw/zinc/01/28/22/527012822.db2.gz PVMJTNJZOKINAA-UHFFFAOYSA-N 0 0 275.783 4.418 10 0 CIAERN O=C(Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000054445508 527219789 /nfs/dbraw/zinc/21/97/89/527219789.db2.gz ZHIKAWKSSBPCLR-UHFFFAOYSA-N 0 0 255.100 4.012 10 0 CIAERN Cc1ncc(Cn2c(=S)[nH]c3cc(Cl)ccc32)s1 ZINC000049534130 527287401 /nfs/dbraw/zinc/28/74/01/527287401.db2.gz FAFLKPFKBGCWED-UHFFFAOYSA-N 0 0 295.820 4.166 10 0 CIAERN Nc1c2cc(Cl)cc(Cl)c2nc2c1CCCC2 ZINC000050868978 527437711 /nfs/dbraw/zinc/43/77/11/527437711.db2.gz UBZYAQWKNPQKNN-UHFFFAOYSA-N 0 0 267.159 4.003 10 0 CIAERN Nc1cc(-c2c(F)cc(F)cc2F)ccc1Cl ZINC000061692270 527438951 /nfs/dbraw/zinc/43/89/51/527438951.db2.gz DXCMQKONVFEDCM-UHFFFAOYSA-N 0 0 257.642 4.007 10 0 CIAERN Nc1cc(C(F)(F)F)nc2c(Cl)c(Cl)ccc12 ZINC000050869923 527448589 /nfs/dbraw/zinc/44/85/89/527448589.db2.gz XMHZICIKOHFLIM-UHFFFAOYSA-N 0 0 281.064 4.143 10 0 CIAERN Nc1ccc2nc(Sc3ccc(F)cc3F)sc2c1 ZINC000063105130 527510469 /nfs/dbraw/zinc/51/04/69/527510469.db2.gz MLNKDYUUCQMNHD-UHFFFAOYSA-N 0 0 294.351 4.308 10 0 CIAERN Nc1onc(CC2CC2)c1-c1ccc(Cl)c(Cl)c1 ZINC000050039555 527581837 /nfs/dbraw/zinc/58/18/37/527581837.db2.gz JHHHMNHZUJUIBP-UHFFFAOYSA-N 0 0 283.158 4.183 10 0 CIAERN O[C@@H](Cc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000049346756 527663902 /nfs/dbraw/zinc/66/39/02/527663902.db2.gz SHKPGZLSTGXCOZ-AWEZNQCLSA-N 0 0 285.145 4.409 10 0 CIAERN O[C@@H](Cc1cc(F)ccc1F)c1ccc(Cl)cc1F ZINC000062785478 527664150 /nfs/dbraw/zinc/66/41/50/527664150.db2.gz DTOWBXRIXNSTDC-AWEZNQCLSA-N 0 0 286.680 4.033 10 0 CIAERN O[C@@H]1CCCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000055230235 527667646 /nfs/dbraw/zinc/66/76/46/527667646.db2.gz OBUFERONMLPQTH-BXKDBHETSA-N 0 0 259.176 4.402 10 0 CIAERN FC(F)(F)c1ccc2c(c1)NC[C@@H](c1ccccc1)O2 ZINC000062557313 527684484 /nfs/dbraw/zinc/68/44/84/527684484.db2.gz JWDRGQQYAFMCBN-AWEZNQCLSA-N 0 0 279.261 4.251 10 0 CIAERN FC(F)(F)c1nnc(N[C@@H]2CCCc3ccccc32)s1 ZINC000153110298 527691188 /nfs/dbraw/zinc/69/11/88/527691188.db2.gz YXYCKZCEBOLHNX-SNVBAGLBSA-N 0 0 299.321 4.046 10 0 CIAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000087406543 527697448 /nfs/dbraw/zinc/69/74/48/527697448.db2.gz WIAOWCUDMMFQKB-GFCCVEGCSA-N 0 0 257.381 4.025 10 0 CIAERN CC[C@H]1CNc2ccc(C)cc2N1Cc1ccccc1 ZINC000076972052 536169774 /nfs/dbraw/zinc/16/97/74/536169774.db2.gz CYLPWDRFCAVXDK-INIZCTEOSA-N 0 0 266.388 4.206 10 0 CIAERN CCCc1cc2nc(C(CC)CC)nn2c(Cl)c1 ZINC000725246567 567908418 /nfs/dbraw/zinc/90/84/18/567908418.db2.gz PPOADECFBVKYQC-UHFFFAOYSA-N 0 0 265.788 4.239 10 0 CIAERN Cc1ccc(-c2ccc(Br)nc2)c(C)c1 ZINC000041352927 570249902 /nfs/dbraw/zinc/24/99/02/570249902.db2.gz BBWQLYCBZMXSPM-UHFFFAOYSA-N 0 0 262.150 4.128 10 0 CIAERN Cc1cccc(-c2ccc(F)c(N)c2F)c1Cl ZINC000675056352 570364496 /nfs/dbraw/zinc/36/44/96/570364496.db2.gz IZAGTQXYYCYMAV-UHFFFAOYSA-N 0 0 253.679 4.176 10 0 CIAERN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000004537178 560198552 /nfs/dbraw/zinc/19/85/52/560198552.db2.gz HREDZMAPXFYEQW-LTFPLMDUSA-N 0 0 298.426 4.454 10 0 in-vitro CIAERN CC(C)CC(=O)c1cc2cc(Br)ccc2o1 ZINC000675081312 567027903 /nfs/dbraw/zinc/02/79/03/567027903.db2.gz QGKWRGSGDZQRBS-UHFFFAOYSA-N 0 0 281.149 4.424 10 0 CIAERN CC[C@@H](C)C(=O)c1cc2ccc(Br)cc2o1 ZINC000675081590 567028450 /nfs/dbraw/zinc/02/84/50/567028450.db2.gz UVZJLYGKRSWUCU-MRVPVSSYSA-N 0 0 281.149 4.424 10 0 CIAERN CC(=CCc1ccccc1)N=Nc1ccccc1[N+](=O)[O-] ZINC000254405754 567033518 /nfs/dbraw/zinc/03/35/18/567033518.db2.gz IOXVSYFXFZFEHV-LHVDUAEASA-N 0 0 281.315 4.096 10 0 CIAERN C[C@@H](O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000226272753 567038283 /nfs/dbraw/zinc/03/82/83/567038283.db2.gz LSWGWOJMFYROIE-CYBMUJFWSA-N 0 0 291.350 4.145 10 0 CIAERN CCc1ccc(-c2nc3ccc(NC)cc3o2)cc1 ZINC000226270018 567038296 /nfs/dbraw/zinc/03/82/96/567038296.db2.gz WWLRYJJSWODVRV-UHFFFAOYSA-N 0 0 252.317 4.099 10 0 CIAERN CCc1ccc(-c2nc3cc(NC)ccc3o2)cc1 ZINC000226270161 567038575 /nfs/dbraw/zinc/03/85/75/567038575.db2.gz AHYRVVRPJLAONX-UHFFFAOYSA-N 0 0 252.317 4.099 10 0 CIAERN CNc1cc2nc(-c3cccc(C)c3)oc2c(C)c1 ZINC000226270094 567038790 /nfs/dbraw/zinc/03/87/90/567038790.db2.gz VOJMQTHVGHEUGI-UHFFFAOYSA-N 0 0 252.317 4.153 10 0 CIAERN CNc1cc2nc(-c3ccccc3Cl)oc2c(C)c1 ZINC000226270426 567038983 /nfs/dbraw/zinc/03/89/83/567038983.db2.gz PMVOHOXGAHGSCK-UHFFFAOYSA-N 0 0 272.735 4.498 10 0 CIAERN CNc1ccc2nc(-c3ccc(C)cc3Cl)oc2c1 ZINC000226271673 567039140 /nfs/dbraw/zinc/03/91/40/567039140.db2.gz JALKGCMWLPIBCF-UHFFFAOYSA-N 0 0 272.735 4.498 10 0 CIAERN Cc1cc(-n2cccc2)cc(-c2nc3ccccc3o2)c1O ZINC000226281679 567040460 /nfs/dbraw/zinc/04/04/60/567040460.db2.gz KACBAWZJPNRKBR-UHFFFAOYSA-N 0 0 290.322 4.300 10 0 CIAERN Cc1ccc2[nH]c(S[C@H](C)c3ccccn3)nc2c1 ZINC000039372860 567088824 /nfs/dbraw/zinc/08/88/24/567088824.db2.gz UWUJHAHZXVCQFT-LLVKDONJSA-N 0 0 269.373 4.120 10 0 CIAERN CC[C@@H](C)c1nc2cccc(Br)c2cc1O ZINC000685962970 567210647 /nfs/dbraw/zinc/21/06/47/567210647.db2.gz CFDQLWNKDXSWOX-MRVPVSSYSA-N 0 0 280.165 4.216 10 0 CIAERN C[C@H](O)c1ccc(SC2CCCCC2)c(F)c1 ZINC000058823278 567217653 /nfs/dbraw/zinc/21/76/53/567217653.db2.gz NJIYFYWHUUUKJN-JTQLQIEISA-N 0 0 254.370 4.304 10 0 CIAERN Cc1ccc(Sc2ccc([C@@H](C)O)cc2F)cc1 ZINC000058819705 567217687 /nfs/dbraw/zinc/21/76/87/567217687.db2.gz CUSCBKFTTAKXRG-LLVKDONJSA-N 0 0 262.349 4.339 10 0 CIAERN CCOc1cc(/C=C/Br)ccc1OCC(C)C ZINC000725267180 567220249 /nfs/dbraw/zinc/22/02/49/567220249.db2.gz UDSNZAGUWAZFPP-BQYQJAHWSA-N 0 0 299.208 4.486 10 0 CIAERN CCCN1CCC(=O)C12CCC(C(C)(C)CC)CC2 ZINC000712067133 567837269 /nfs/dbraw/zinc/83/72/69/567837269.db2.gz GRHZJWPUSCYIQX-UHFFFAOYSA-N 0 0 265.441 4.036 10 0 CIAERN Cc1cc2sc(-c3ccc(N)cc3)nc2c(C)c1 ZINC000073635415 567893131 /nfs/dbraw/zinc/89/31/31/567893131.db2.gz NWGXOBJUQWVXAS-UHFFFAOYSA-N 0 0 254.358 4.162 10 0 CIAERN CCNc1ccc(-c2nc3ccccc3s2)cc1 ZINC000075824918 567894783 /nfs/dbraw/zinc/89/47/83/567894783.db2.gz YOTWMBDNLPNRKE-UHFFFAOYSA-N 0 0 254.358 4.395 10 0 CIAERN Clc1cc(Cl)c2nc(Cl)c(Cl)nc2c1 ZINC000062152715 567897112 /nfs/dbraw/zinc/89/71/12/567897112.db2.gz KZSYTJJTXPDZRN-UHFFFAOYSA-N 0 0 267.930 4.243 10 0 CIAERN CN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000072434999 567902603 /nfs/dbraw/zinc/90/26/03/567902603.db2.gz JTZLAZURDTVJAT-UHFFFAOYSA-N 0 0 298.773 4.190 10 0 CIAERN C[C@@H]1c2ccc3ccccc3c2C(=S)NC1(C)C ZINC000002475414 567906017 /nfs/dbraw/zinc/90/60/17/567906017.db2.gz JDVUKSSMSWCJSC-SNVBAGLBSA-N 0 0 255.386 4.001 10 0 CIAERN O=Cc1cc2ccccc2c(OCc2ccccc2)c1 ZINC000088611759 567907522 /nfs/dbraw/zinc/90/75/22/567907522.db2.gz BIQRGAYGWFPENO-UHFFFAOYSA-N 0 0 262.308 4.231 10 0 CIAERN CCC(CC)c1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725244966 567908151 /nfs/dbraw/zinc/90/81/51/567908151.db2.gz BYAIPRUJZMKCNS-UHFFFAOYSA-N 0 0 263.772 4.164 10 0 CIAERN CCC(C)(C)[C@@H]1CCCN[C@H](C(F)(F)F)CC1 ZINC000725255950 567915331 /nfs/dbraw/zinc/91/53/31/567915331.db2.gz LACQNDZVLNNGRL-MNOVXSKESA-N 0 0 251.336 4.133 10 0 CIAERN COC(=O)c1cc(Cl)nc2c1[C@H](C)CC[C@H]2C(C)C ZINC000725260614 567917292 /nfs/dbraw/zinc/91/72/92/567917292.db2.gz UKMZBMMLGITLSM-ZJUUUORDSA-N 0 0 281.783 4.159 10 0 CIAERN FC1(F)C[C@H](c2cccc(Br)c2)C1(F)F ZINC000725262402 567922212 /nfs/dbraw/zinc/92/22/12/567922212.db2.gz DXTKXUXYOPQZOH-MRVPVSSYSA-N 0 0 283.062 4.207 10 0 CIAERN CC(=O)c1ccc(-c2nn(C(C)C)cc2C(F)F)cc1 ZINC000725270649 567924743 /nfs/dbraw/zinc/92/47/43/567924743.db2.gz QNXLGEQFLUGWRI-UHFFFAOYSA-N 0 0 278.302 4.271 10 0 CIAERN COC(=O)c1cc(-c2ccc(C)cc2C)ccc1C ZINC000725270303 567924857 /nfs/dbraw/zinc/92/48/57/567924857.db2.gz FSTNKLOLWQTOPR-UHFFFAOYSA-N 0 0 254.329 4.065 10 0 CIAERN CC(=O)c1cccc(-c2nn(C(C)C)cc2C(F)F)c1 ZINC000725271080 567924860 /nfs/dbraw/zinc/92/48/60/567924860.db2.gz WWMGHEHTVYELCN-UHFFFAOYSA-N 0 0 278.302 4.271 10 0 CIAERN Fc1c(Br)cccc1-c1cccs1 ZINC000725243846 570255116 /nfs/dbraw/zinc/25/51/16/570255116.db2.gz AONPEISLTZNFEC-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN FC(F)(F)c1cccc([C@H]2CNc3ccccc3O2)c1 ZINC000129079961 570269351 /nfs/dbraw/zinc/26/93/51/570269351.db2.gz BYRAZLKGXXGISI-CQSZACIVSA-N 0 0 279.261 4.251 10 0 CIAERN CCOC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000004294147 570326180 /nfs/dbraw/zinc/32/61/80/570326180.db2.gz VVQXGTYLINJXTG-VQHVLOKHSA-N 0 0 290.746 4.485 10 0 CIAERN CC(C)(C)OC(=O)Nc1ncccc1CCc1ccccc1 ZINC000002576154 570333742 /nfs/dbraw/zinc/33/37/42/570333742.db2.gz UDUWHWWLKDBCNI-UHFFFAOYSA-N 0 0 298.386 4.214 10 0 CIAERN Nc1c(F)ccc(-c2ccccc2C(F)(F)F)c1F ZINC000675056305 570364353 /nfs/dbraw/zinc/36/43/53/570364353.db2.gz GYLGLGUBDIRTHN-UHFFFAOYSA-N 0 0 273.204 4.233 10 0 CIAERN O=Cc1cncc(-c2c(Cl)cc(F)cc2Cl)c1 ZINC000675058046 570365067 /nfs/dbraw/zinc/36/50/67/570365067.db2.gz QKPUBESCJVBONC-UHFFFAOYSA-N 0 0 270.090 4.007 10 0 CIAERN C[C@H]1CC(C)(C)Nc2c(Br)cccc21 ZINC000258281955 570390570 /nfs/dbraw/zinc/39/05/70/570390570.db2.gz TYLGUQXMXWHADR-QMMMGPOBSA-N 0 0 254.171 4.147 10 0 CIAERN CNc1ccc(-c2cccc(Br)c2)cc1 ZINC000259081839 570392700 /nfs/dbraw/zinc/39/27/00/570392700.db2.gz CPRYFKOUBSFPOC-UHFFFAOYSA-N 0 0 262.150 4.158 10 0 CIAERN Cc1c(N)cccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000019386840 570407899 /nfs/dbraw/zinc/40/78/99/570407899.db2.gz DHZVXYPFSXTXMK-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN COC1=NCCCC[C@H]1C1CCC(C(C)C)CC1 ZINC000616569080 570408721 /nfs/dbraw/zinc/40/87/21/570408721.db2.gz HQTIQERZLTZPIM-NRXISQOPSA-N 0 0 251.414 4.294 10 0 CIAERN COc1ccc(-c2nc3ccccc3o2)cc1Cl ZINC000028964891 570409201 /nfs/dbraw/zinc/40/92/01/570409201.db2.gz AFTZWPSIBNOCDB-UHFFFAOYSA-N 0 0 259.692 4.157 10 0 CIAERN CC[C@H](C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000380895194 570412478 /nfs/dbraw/zinc/41/24/78/570412478.db2.gz RNLULAIDMVBJEK-QMMMGPOBSA-N 0 0 281.149 4.424 10 0 CIAERN FC(F)(F)c1c(Cl)nccc1OCc1ccccc1 ZINC000095629127 185016909 /nfs/dbraw/zinc/01/69/09/185016909.db2.gz VQMBMVNNRFKZNN-UHFFFAOYSA-N 0 0 287.668 4.333 10 0 CIAERN COc1ccc(Cl)cc1[C@@](C)(Cl)C(F)(F)F ZINC000095643064 185017490 /nfs/dbraw/zinc/01/74/90/185017490.db2.gz VEFFVQBRNNKNHC-SECBINFHSA-N 0 0 273.081 4.365 10 0 CIAERN CC(C)(C)c1c(Br)cccc1OC1CC1 ZINC000095720543 185019033 /nfs/dbraw/zinc/01/90/33/185019033.db2.gz MQVSNYLGZKYHSR-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN CC(C)(C)Oc1cc(Br)ccc1OC1CC1 ZINC000095722106 185019591 /nfs/dbraw/zinc/01/95/91/185019591.db2.gz DZQUQTKSEGOCDU-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)(C)Oc1ccc(OC2CC2)cc1Br ZINC000095725218 185020412 /nfs/dbraw/zinc/02/04/12/185020412.db2.gz AANPHNHAUDPRAP-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)c1cc(Br)cc(OC2CC2)c1 ZINC000095723830 185020513 /nfs/dbraw/zinc/02/05/13/185020513.db2.gz STIUANWOWMKLAH-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN FC(F)(F)c1cc(OC2CC2)ccc1Br ZINC000095733792 185022868 /nfs/dbraw/zinc/02/28/68/185022868.db2.gz XZIXILWYXCYNHH-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN Clc1nc(NC2CCCC2)cc(-c2ccccc2)n1 ZINC000082501835 178066230 /nfs/dbraw/zinc/06/62/30/178066230.db2.gz RQXKUPWHXMIFJV-UHFFFAOYSA-N 0 0 273.767 4.152 10 0 CIAERN c1ccc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)nc1 ZINC000082508640 178074707 /nfs/dbraw/zinc/07/47/07/178074707.db2.gz ZMRSXVNISICHJL-KRWDZBQOSA-N 0 0 294.398 4.008 10 0 CIAERN Cc1ccc(Nc2ncc(N)cc2Cl)cc1Cl ZINC000082574174 178114210 /nfs/dbraw/zinc/11/42/10/178114210.db2.gz HVTDANAKLHVNBN-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN Cc1cc(C)cc(C(=O)c2ccc(F)c(Cl)c2)c1 ZINC000095916849 185031020 /nfs/dbraw/zinc/03/10/20/185031020.db2.gz SZWVPUNODAVTIH-UHFFFAOYSA-N 0 0 262.711 4.327 10 0 CIAERN Clc1ccnc2[nH]c3ccc(Br)cc3c21 ZINC000095931266 185032662 /nfs/dbraw/zinc/03/26/62/185032662.db2.gz FPIYJQSWTIINHV-UHFFFAOYSA-N 0 0 281.540 4.132 10 0 CIAERN Fc1ccc(-c2ccc(Br)s2)cc1 ZINC000095935110 185033530 /nfs/dbraw/zinc/03/35/30/185033530.db2.gz SVSGIDPCBJSBSB-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN O=C(/C=C\c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC000095938847 185034792 /nfs/dbraw/zinc/03/47/92/185034792.db2.gz REOYYYBASAYBGA-HJWRWDBZSA-N 0 0 298.213 4.409 10 0 CIAERN Brc1cccc(-c2ncc3ccccc3n2)c1 ZINC000096028901 185067346 /nfs/dbraw/zinc/06/73/46/185067346.db2.gz PVJCZGCZYIBYHA-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN Cc1ccc(NC(=O)c2cccc(Cl)c2N)cc1Cl ZINC000082698971 178200017 /nfs/dbraw/zinc/20/00/17/178200017.db2.gz OYTWERSAPNGDHT-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CN(C)c1cccc(NCc2ccccc2Cl)c1 ZINC000082711989 178224114 /nfs/dbraw/zinc/22/41/14/178224114.db2.gz LIAPXLQIPGXHPB-UHFFFAOYSA-N 0 0 260.768 4.018 10 0 CIAERN Brc1ccc2nc(NC3CCCC3)sc2c1 ZINC000082727381 178243570 /nfs/dbraw/zinc/24/35/70/178243570.db2.gz DEXRQZFKHYPFOV-UHFFFAOYSA-N 0 0 297.221 4.413 10 0 CIAERN CCOc1ccc2nc(NC3CCCC3)sc2c1 ZINC000082727218 178243774 /nfs/dbraw/zinc/24/37/74/178243774.db2.gz FMNKJYQVIUXNJM-UHFFFAOYSA-N 0 0 262.378 4.050 10 0 CIAERN CCC(=O)c1ccc(Br)c2ccccc12 ZINC000083165678 178348057 /nfs/dbraw/zinc/34/80/57/178348057.db2.gz USAUGEPANIYAMC-UHFFFAOYSA-N 0 0 263.134 4.195 10 0 CIAERN Cc1ccc(F)cc1CNc1cc(F)ccc1F ZINC000083384365 178388592 /nfs/dbraw/zinc/38/85/92/178388592.db2.gz POLPAEQFMMYZDW-UHFFFAOYSA-N 0 0 251.251 4.024 10 0 CIAERN Cc1ccc(Br)cc1C(=O)C1CCCC1 ZINC000083255852 178371727 /nfs/dbraw/zinc/37/17/27/178371727.db2.gz MTLHMTSWFSONAZ-UHFFFAOYSA-N 0 0 267.166 4.130 10 0 CIAERN Fc1ccc(-c2csc(Br)c2)cc1F ZINC000096943119 185133924 /nfs/dbraw/zinc/13/39/24/185133924.db2.gz ZJVPTTFCFGNKGY-UHFFFAOYSA-N 0 0 275.117 4.456 10 0 CIAERN Cc1cc(Cl)ccc1NCc1ccncc1Cl ZINC000083493924 178519076 /nfs/dbraw/zinc/51/90/76/178519076.db2.gz NCMFMNUBRSWIIX-UHFFFAOYSA-N 0 0 267.159 4.309 10 0 CIAERN Brc1ccc(-c2onc3ccccc32)cc1 ZINC000098179422 185698011 /nfs/dbraw/zinc/69/80/11/185698011.db2.gz SHCCGVDBBQECPF-UHFFFAOYSA-N 0 0 274.117 4.257 10 0 CIAERN O=C1c2ccccc2Cc2cc(Cl)c(Cl)cc21 ZINC000098180825 185699417 /nfs/dbraw/zinc/69/94/17/185699417.db2.gz CCASZPXYGQLVTG-UHFFFAOYSA-N 0 0 263.123 4.129 10 0 CIAERN C[C@H]1CCCC[C@@H]1n1c(Cl)nnc1-c1ccccc1 ZINC000103928750 185863185 /nfs/dbraw/zinc/86/31/85/185863185.db2.gz YSQOTPWGJAQAOG-AAEUAGOBSA-N 0 0 275.783 4.350 10 0 CIAERN Cc1ccc(C[C@H]2C[C@H](C(C)C)CCC2=O)cc1C ZINC000103940133 185865122 /nfs/dbraw/zinc/86/51/22/185865122.db2.gz SJHYRZGSZKMKTH-SJORKVTESA-N 0 0 258.405 4.487 10 0 CIAERN CCC[C@@H](C)C[C@H](O)Cc1ccc(F)cc1Cl ZINC000103939451 185865189 /nfs/dbraw/zinc/86/51/89/185865189.db2.gz ASMWHCUUCDJNNI-MFKMUULPSA-N 0 0 258.764 4.209 10 0 CIAERN Cc1ccc(C[C@@]2(O)C[C@H](C)CC(C)(C)C2)cc1C ZINC000103945987 185866176 /nfs/dbraw/zinc/86/61/76/185866176.db2.gz KVUOGQRQVLIFDJ-ACJLOTCBSA-N 0 0 260.421 4.423 10 0 CIAERN Fc1cc2nc(C3CC3)cc(Cl)c2c(F)c1F ZINC000103960915 185869536 /nfs/dbraw/zinc/86/95/36/185869536.db2.gz ZDSSHUSFWNTIII-UHFFFAOYSA-N 0 0 257.642 4.183 10 0 CIAERN COc1ccc(C)cc1[C@H](O)C[C@@H](C)CC(C)(C)C ZINC000104040893 185885626 /nfs/dbraw/zinc/88/56/26/185885626.db2.gz DYCASOUULJICBN-UKRRQHHQSA-N 0 0 264.409 4.499 10 0 CIAERN C[C@H]1C[C@@H](OCc2c(N)cccc2F)CC(C)(C)C1 ZINC000104073199 185893018 /nfs/dbraw/zinc/89/30/18/185893018.db2.gz CQBAVYVIIKGOKT-NWDGAFQWSA-N 0 0 265.372 4.139 10 0 CIAERN CCCCc1ccc(Nc2cc(Cl)ncn2)cc1 ZINC000104156025 185913155 /nfs/dbraw/zinc/91/31/55/185913155.db2.gz WNJIVHBJTVSSSQ-UHFFFAOYSA-N 0 0 261.756 4.216 10 0 CIAERN CCc1nc(-c2c(Cl)cccc2Cl)nc(NC)c1C ZINC000104166188 185915824 /nfs/dbraw/zinc/91/58/24/185915824.db2.gz WTHCGZVLYYQEGH-UHFFFAOYSA-N 0 0 296.201 4.363 10 0 CIAERN Cc1ccc([C@@H](C)Nc2nc(C)nc(Cl)c2C)cc1 ZINC000104219940 185934687 /nfs/dbraw/zinc/93/46/87/185934687.db2.gz RALOVWQWLUKYRH-LLVKDONJSA-N 0 0 275.783 4.228 10 0 CIAERN CCCc1c(Cl)ncnc1Nc1ccccc1C ZINC000104222781 185935310 /nfs/dbraw/zinc/93/53/10/185935310.db2.gz IHHWBYPJXMLSOM-UHFFFAOYSA-N 0 0 261.756 4.135 10 0 CIAERN CCCC[C@H](CC)COc1ncnc(Cl)c1CC ZINC000104229357 185936698 /nfs/dbraw/zinc/93/66/98/185936698.db2.gz SXPLQMDURUAJDO-NSHDSACASA-N 0 0 270.804 4.288 10 0 CIAERN C[C@@H](O)c1ccc(Sc2cc(F)ccc2F)c(F)c1 ZINC000104284021 185955487 /nfs/dbraw/zinc/95/54/87/185955487.db2.gz KWXWNIUEWMTFER-MRVPVSSYSA-N 0 0 284.302 4.308 10 0 CIAERN Cc1cccc(CSc2ccc(C=O)cc2F)c1 ZINC000104297681 185958814 /nfs/dbraw/zinc/95/88/14/185958814.db2.gz HCUFWJHHNNLLPK-UHFFFAOYSA-N 0 0 260.333 4.239 10 0 CIAERN Cc1ccccc1CSc1cccc(F)c1[C@H](C)O ZINC000104300866 185959869 /nfs/dbraw/zinc/95/98/69/185959869.db2.gz DLEHRQGPDXRQEA-LBPRGKRZSA-N 0 0 276.376 4.480 10 0 CIAERN Cc1nc(C)c(-c2csc(-c3ccc(O)cc3)n2)s1 ZINC000104322088 185968181 /nfs/dbraw/zinc/96/81/81/185968181.db2.gz QWMAKFBIIZJBJE-UHFFFAOYSA-N 0 0 288.397 4.256 10 0 CIAERN CSc1ccccc1Oc1ccc([C@@H](C)O)cc1 ZINC000104334602 185973719 /nfs/dbraw/zinc/97/37/19/185973719.db2.gz NHZRGTIFABEBDG-LLVKDONJSA-N 0 0 260.358 4.254 10 0 CIAERN CSc1ccccc1Oc1cccc(F)c1[C@@H](C)O ZINC000104336808 185975051 /nfs/dbraw/zinc/97/50/51/185975051.db2.gz AWJVIASWMSCYFL-SNVBAGLBSA-N 0 0 278.348 4.393 10 0 CIAERN Cc1nc2ccccc2c(Nc2ccc(OC(C)C)cc2)n1 ZINC000090372269 179978696 /nfs/dbraw/zinc/97/86/96/179978696.db2.gz LRVWJQNNVSNJSX-UHFFFAOYSA-N 0 0 293.370 4.469 10 0 CIAERN CCOc1ccc(C)cc1[C@@H](O)C[C@H](C)C(C)(C)C ZINC000104434223 186000064 /nfs/dbraw/zinc/00/00/64/186000064.db2.gz JTZPCLNAMAINTG-ZFWWWQNUSA-N 0 0 264.409 4.499 10 0 CIAERN CC1(Cn2c3ccc(F)cc3[nH]c2=S)CCCC1 ZINC000104432334 186000594 /nfs/dbraw/zinc/00/05/94/186000594.db2.gz SZDFKTSZRRAZJB-UHFFFAOYSA-N 0 0 264.369 4.044 10 0 CIAERN CC1(CNc2ccc(N)c(C(F)(F)F)c2)CCCC1 ZINC000104432281 186000609 /nfs/dbraw/zinc/00/06/09/186000609.db2.gz BTEGOWIKSJDZKN-UHFFFAOYSA-N 0 0 272.314 4.280 10 0 CIAERN COc1cccc(-c2cc(Cl)c3cccnc3c2O)c1 ZINC000090554766 180002219 /nfs/dbraw/zinc/00/22/19/180002219.db2.gz INLXDLUQYOHUNB-UHFFFAOYSA-N 0 0 285.730 4.269 10 0 CIAERN Oc1c(-c2ccccc2F)cc(Cl)c2cccnc12 ZINC000090558685 180005003 /nfs/dbraw/zinc/00/50/03/180005003.db2.gz CDFDNYQGKKOOTL-UHFFFAOYSA-N 0 0 273.694 4.400 10 0 CIAERN CCC(CC)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000104439662 186002018 /nfs/dbraw/zinc/00/20/18/186002018.db2.gz CKCOHGMAJDTPIV-JTQLQIEISA-N 0 0 298.224 4.004 10 0 CIAERN C/C=C/c1cc(-c2ccc(Br)cc2)no1 ZINC000090628893 180016486 /nfs/dbraw/zinc/01/64/86/180016486.db2.gz LTIGYKYTAHSIQK-NSCUHMNNSA-N 0 0 264.122 4.137 10 0 CIAERN Oc1c(-c2nnc(-c3ccccc3)o2)ccc2ccccc21 ZINC000090698099 180026833 /nfs/dbraw/zinc/02/68/33/180026833.db2.gz LLQMGXHYMBUCES-UHFFFAOYSA-N 0 0 288.306 4.262 10 0 CIAERN C(=C/Cc1ccccc1)\CCCO[C@@H]1CCCCO1 ZINC000090755000 180036550 /nfs/dbraw/zinc/03/65/50/180036550.db2.gz RUCZBIDWFAGUNM-XMUUHYKESA-N 0 0 260.377 4.109 10 0 CIAERN Cc1ncnc(N[C@H](CC(C)(C)C)c2cccnc2)c1C ZINC000091504723 180175763 /nfs/dbraw/zinc/17/57/63/180175763.db2.gz QETWWNRBLYMRTR-OAHLLOKOSA-N 0 0 284.407 4.078 10 0 CIAERN CCOC(=O)c1ccc(OCc2cc(C)ccc2C)cc1 ZINC000105572129 186064500 /nfs/dbraw/zinc/06/45/00/186064500.db2.gz UKANDHFTCHPJFB-UHFFFAOYSA-N 0 0 284.355 4.059 10 0 CIAERN Fc1ccc(Cc2nc(Cl)cc(Cl)n2)c(Cl)c1 ZINC000110920331 186332671 /nfs/dbraw/zinc/33/26/71/186332671.db2.gz IWQVYXGYUNZJFT-UHFFFAOYSA-N 0 0 291.540 4.167 10 0 CIAERN Fc1cc(-c2ccccc2)ccc1I ZINC000112734409 186527193 /nfs/dbraw/zinc/52/71/93/186527193.db2.gz NRZAEBBWBZYBHN-UHFFFAOYSA-N 0 0 298.098 4.097 10 0 CIAERN Cc1cccc([C@@H](O)c2ccc3c4c(cccc42)CC3)c1 ZINC000158884404 188398972 /nfs/dbraw/zinc/39/89/72/188398972.db2.gz LQQODCXJIUOSPN-HXUWFJFHSA-N 0 0 274.363 4.329 10 0 CIAERN Cc1cc(C(=O)Nc2ccccc2)ccc1[C@H]1CCC(=O)C1 ZINC000201148882 189684586 /nfs/dbraw/zinc/68/45/86/189684586.db2.gz LPOILMHULHMRMU-AWEZNQCLSA-N 0 0 293.366 4.084 10 0 CIAERN Cc1ccccc1-c1cc(C(F)(F)F)nc(Cl)n1 ZINC000216614793 189706001 /nfs/dbraw/zinc/70/60/01/189706001.db2.gz QRVVIJPYJDUIRY-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN CNc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000226280829 189771091 /nfs/dbraw/zinc/77/10/91/189771091.db2.gz XSRMIHHOIPCYOE-UHFFFAOYSA-N 0 0 285.730 4.155 10 0 CIAERN CCNc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000226285620 189771615 /nfs/dbraw/zinc/77/16/15/189771615.db2.gz CRPBOLYXZIQDIV-UHFFFAOYSA-N 0 0 280.327 4.117 10 0 CIAERN Cc1nc2c(cc(Br)cc2Cl)s1 ZINC000238490016 189900760 /nfs/dbraw/zinc/90/07/60/189900760.db2.gz BHBTYRGSMHBCSR-UHFFFAOYSA-N 0 0 262.559 4.021 10 0 CIAERN CC[C@@H]1[C@H](C)[C@@H](N(O)c2ccccc2)ON1c1ccccc1 ZINC000255987152 189999579 /nfs/dbraw/zinc/99/95/79/189999579.db2.gz MDOUDFZJQZSQLJ-QGTPRVQTSA-N 0 0 298.386 4.075 10 0 CIAERN Cc1nc2ccccc2n1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000005635045 184532570 /nfs/dbraw/zinc/53/25/70/184532570.db2.gz NUVSOQNXSMUTKF-UHFFFAOYSA-N 0 0 292.382 4.331 10 0 CIAERN CC(C)(C)c1ccc(CSc2ncccc2N)cc1 ZINC000037190836 184539670 /nfs/dbraw/zinc/53/96/70/184539670.db2.gz HMRFETOWIRGPIL-UHFFFAOYSA-N 0 0 272.417 4.254 10 0 CIAERN CCCCCc1ccc([C@H]2C[C@H]2C(=O)OCC)cc1 ZINC000039321506 184545433 /nfs/dbraw/zinc/54/54/33/184545433.db2.gz ZPYKFCDXMZVIQD-HZPDHXFCSA-N 0 0 260.377 4.086 10 0 CIAERN FC(F)Oc1ccc(Br)cc1C(F)(F)F ZINC000039325882 184545833 /nfs/dbraw/zinc/54/58/33/184545833.db2.gz HMDJQWJMAUEHFV-UHFFFAOYSA-N 0 0 291.013 4.069 10 0 CIAERN COc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000000515380 169660128 /nfs/dbraw/zinc/66/01/28/169660128.db2.gz AQXUHHSBUCHOJQ-UHFFFAOYSA-N 0 0 298.382 4.350 10 0 CIAERN CSc1ccc(N[C@H](c2ccccc2)C(C)C)nn1 ZINC000301530682 532984812 /nfs/dbraw/zinc/98/48/12/532984812.db2.gz PIIANCKRJPEDSC-HNNXBMFYSA-N 0 0 273.405 4.008 10 0 CIAERN Cc1ccc(C)c(OCCSc2ccccc2)c1 ZINC000095080890 184937579 /nfs/dbraw/zinc/93/75/79/184937579.db2.gz JZJBJUBBDLPDDC-UHFFFAOYSA-N 0 0 258.386 4.475 10 0 CIAERN CC(C)N(c1cccc(Br)c1)C(F)(F)F ZINC000095088048 184939250 /nfs/dbraw/zinc/93/92/50/184939250.db2.gz JDDSYTXTZOBWIC-UHFFFAOYSA-N 0 0 282.103 4.184 10 0 CIAERN Cc1cc2c(nc(Cl)nc2N2CCCC[C@H]2C)s1 ZINC000036276759 134818035 /nfs/dbraw/zinc/81/80/35/134818035.db2.gz YIWPWRFCCRPJOL-MRVPVSSYSA-N 0 0 281.812 4.032 10 0 CIAERN Nc1ccc2c(c1)N(Cc1ccc(Cl)s1)CCS2 ZINC000038051440 134854149 /nfs/dbraw/zinc/85/41/49/134854149.db2.gz LJSSKDJNIXBKON-UHFFFAOYSA-N 0 0 296.848 4.096 10 0 CIAERN CN(c1ccccc1)c1nnc(Cl)c2ccccc21 ZINC000002385252 169789647 /nfs/dbraw/zinc/78/96/47/169789647.db2.gz HHXBMXSQAMMHNB-UHFFFAOYSA-N 0 0 269.735 4.051 10 0 CIAERN OCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000002386692 169789875 /nfs/dbraw/zinc/78/98/75/169789875.db2.gz CVLZFLZQLXYEMO-UHFFFAOYSA-N 0 0 253.128 4.153 10 0 CIAERN CCCCC(=O)Nc1nc2cc(C)cc(C)c2s1 ZINC000004331271 169958505 /nfs/dbraw/zinc/95/85/05/169958505.db2.gz WNZINCBMMOYAKY-UHFFFAOYSA-N 0 0 262.378 4.042 10 0 CIAERN COc1ccc(CCOc2ccnc3c(F)cccc23)cc1 ZINC000005115759 170067137 /nfs/dbraw/zinc/06/71/37/170067137.db2.gz XSZVOLPDKJJBOM-UHFFFAOYSA-N 0 0 297.329 4.004 10 0 CIAERN CCCn1c2ccccc2n2cc(-c3cccs3)nc21 ZINC000005285347 170082689 /nfs/dbraw/zinc/08/26/89/170082689.db2.gz UEEHBCQVIABSLF-UHFFFAOYSA-N 0 0 281.384 4.428 10 0 CIAERN C[C@H]1CCCC[C@@H](c2cn(C)c3ccccc23)C1=O ZINC000005330422 170086281 /nfs/dbraw/zinc/08/62/81/170086281.db2.gz JZTRTLPEFCAPPK-JSGCOSHPSA-N 0 0 255.361 4.041 10 0 CIAERN COC(=O)c1c(-c2ccccc2)c[nH]c1-c1ccccc1 ZINC000005355249 170089006 /nfs/dbraw/zinc/08/90/06/170089006.db2.gz BVXFUFSVTUSBKC-UHFFFAOYSA-N 0 0 277.323 4.135 10 0 CIAERN O=C(Nc1cccc(Cl)c1)Nc1ccncc1Cl ZINC000005375228 170090487 /nfs/dbraw/zinc/09/04/87/170090487.db2.gz OODOWNZCKNFOAC-UHFFFAOYSA-N 0 0 282.130 4.032 10 0 CIAERN Cc1ccc([C@@H](C(C)C)n2nnc3ccccc32)s1 ZINC000005417727 170096690 /nfs/dbraw/zinc/09/66/90/170096690.db2.gz DWTQTEPPPOTEOR-OAHLLOKOSA-N 0 0 271.389 4.047 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005443979 170099757 /nfs/dbraw/zinc/09/97/57/170099757.db2.gz FFILVIDPLPHCTI-KMYSJOAASA-N 0 0 297.442 4.330 10 0 CIAERN Cc1ccc(Cl)c2c(=O)cc(-c3ccccc3)[nH]c12 ZINC000005504000 170105385 /nfs/dbraw/zinc/10/53/85/170105385.db2.gz WQTDDEJDGYOWAZ-UHFFFAOYSA-N 0 0 269.731 4.157 10 0 CIAERN CCCCOC1=CC(C)(C)[C@@H](C(C)=O)C(C)(C)C1 ZINC000005514083 170106649 /nfs/dbraw/zinc/10/66/49/170106649.db2.gz CEFRLRCVISSIDU-CQSZACIVSA-N 0 0 252.398 4.348 10 0 CIAERN Cc1ccc(Nc2nnc(Cl)c3ccccc32)cc1 ZINC000005587994 170116814 /nfs/dbraw/zinc/11/68/14/170116814.db2.gz DZEPSFITSUQLSJ-UHFFFAOYSA-N 0 0 269.735 4.335 10 0 CIAERN CC(C)(C)c1ccccc1OCc1ccc(C(N)=S)cc1 ZINC000005592562 170117335 /nfs/dbraw/zinc/11/73/35/170117335.db2.gz UBBAXQNTZCYIEG-UHFFFAOYSA-N 0 0 299.439 4.197 10 0 CIAERN CCCCCCNC(=O)/C=C/c1ccc(OCCC)cc1 ZINC000005645643 170123651 /nfs/dbraw/zinc/12/36/51/170123651.db2.gz NWSRTMCXPODDQR-JLHYYAGUSA-N 0 0 289.419 4.185 10 0 CIAERN CCCCCOC(=O)c1ccc(NC(=O)CCCC)cc1 ZINC000005712224 170132346 /nfs/dbraw/zinc/13/23/46/170132346.db2.gz RJXMOTDGBDCZFM-UHFFFAOYSA-N 0 0 291.391 4.162 10 0 CIAERN CC(C)c1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000005761687 170137705 /nfs/dbraw/zinc/13/77/05/170137705.db2.gz UZYSRLVDUAGZEI-UHFFFAOYSA-N 0 0 263.344 4.262 10 0 CIAERN CC(C)COP(=O)(CC(C)C)OCC(C)C ZINC000005759420 170137987 /nfs/dbraw/zinc/13/79/87/170137987.db2.gz AIBYDPPBSBNXMK-UHFFFAOYSA-N 0 0 250.319 4.181 10 0 CIAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCNc1ccccc1)C2 ZINC000005791407 170140523 /nfs/dbraw/zinc/14/05/23/170140523.db2.gz HURHHYTXUWZODR-YXJHDRRASA-N 0 0 273.420 4.330 10 0 CIAERN CCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000005821406 170144037 /nfs/dbraw/zinc/14/40/37/170144037.db2.gz BVZWLEASLFETCA-SECBINFHSA-N 0 0 291.174 4.104 10 0 CIAERN CCCN1c2cc(C)cc(C)c2Oc2ccc(N)cc2C1=O ZINC000005838785 170145305 /nfs/dbraw/zinc/14/53/05/170145305.db2.gz VXIIPVAPMQWOOB-UHFFFAOYSA-N 0 0 296.370 4.048 10 0 CIAERN O=C(c1ccccc1)n1c2ccccc2c2c1CCCC2 ZINC000005871460 170149056 /nfs/dbraw/zinc/14/90/56/170149056.db2.gz QLFXUMBUVOOKBP-UHFFFAOYSA-N 0 0 275.351 4.209 10 0 CIAERN CC(C)(C)CC(C)(C)N1Sc2ccccc2[S@@]1=O ZINC000005885249 170150120 /nfs/dbraw/zinc/15/01/20/170150120.db2.gz ULJNUCYGCMGYTC-GOSISDBHSA-N 0 0 283.462 4.247 10 0 CIAERN Cc1nc(-c2ccccc2)c(C)nc1-c1ccccc1 ZINC000006069075 170173774 /nfs/dbraw/zinc/17/37/74/170173774.db2.gz QMTUIVOFVMSPAE-UHFFFAOYSA-N 0 0 260.340 4.427 10 0 CIAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1nccs1 ZINC000006132405 170178727 /nfs/dbraw/zinc/17/87/27/170178727.db2.gz PWLALAYEBSFKHS-RQOWECAXSA-N 0 0 299.182 4.102 10 0 CIAERN CC(C)(C)c1nc2ccccc2n1Cc1ccccc1 ZINC000006186884 170181405 /nfs/dbraw/zinc/18/14/05/170181405.db2.gz PPSZOCSFQPOTQD-UHFFFAOYSA-N 0 0 264.372 4.382 10 0 CIAERN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 ZINC000006236263 170184317 /nfs/dbraw/zinc/18/43/17/170184317.db2.gz BOLLQAXJJWAOAG-IZZDOVSWSA-N 0 0 297.785 4.481 10 0 CIAERN CC(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000006297160 170188943 /nfs/dbraw/zinc/18/89/43/170188943.db2.gz NBAFRNOSMBAYCO-UHFFFAOYSA-N 0 0 288.734 4.187 10 0 CIAERN CCCCCC[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 ZINC000006310059 170190313 /nfs/dbraw/zinc/19/03/13/170190313.db2.gz VFZDCNMKXQUOIY-GOFCXVBSSA-N 0 0 289.419 4.184 10 0 CIAERN C1=C(c2ccccc2)N(Cc2ccccc2)[C@H]2C=CC=CN12 ZINC000006579966 170215266 /nfs/dbraw/zinc/21/52/66/170215266.db2.gz ANVIXFZOGPEFEA-FQEVSTJZSA-N 0 0 286.378 4.212 10 0 CIAERN CCCCCNC(=S)Nc1ccccc1C(F)(F)F ZINC000006597357 170218017 /nfs/dbraw/zinc/21/80/17/170218017.db2.gz MNOXVGZTZHSAKM-UHFFFAOYSA-N 0 0 290.354 4.182 10 0 CIAERN COc1ccc(-c2cc3c(N=O)cccn3c2)cc1 ZINC000006745498 170238776 /nfs/dbraw/zinc/23/87/76/170238776.db2.gz GUDHKDSATSNXPJ-UHFFFAOYSA-N 0 0 252.273 4.013 10 0 CIAERN Cc1c2cc(C)ccc2oc1C(=O)N(C)Cc1ccccc1 ZINC000006860128 170250746 /nfs/dbraw/zinc/25/07/46/170250746.db2.gz AAYZVVCYXZXREL-UHFFFAOYSA-N 0 0 293.366 4.322 10 0 CIAERN Cc1ccccc1Sc1ccc(Cl)cc1CO ZINC000006925142 170255918 /nfs/dbraw/zinc/25/59/18/170255918.db2.gz ZQXSUJOJGLPMGJ-UHFFFAOYSA-N 0 0 264.777 4.292 10 0 CIAERN O=C(Nc1ccccc1)c1csc(-c2ccsc2)n1 ZINC000007069569 170265997 /nfs/dbraw/zinc/26/59/97/170265997.db2.gz IRAANUWJPZEJHO-UHFFFAOYSA-N 0 0 286.381 4.124 10 0 CIAERN CC(C)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000007214821 170272503 /nfs/dbraw/zinc/27/25/03/170272503.db2.gz YYWOLMMPVOHKIA-QGZVFWFLSA-N 0 0 295.382 4.064 10 0 CIAERN COc1ccc(-c2csc(NC(C)(C)C)n2)cc1F ZINC000007274251 170275396 /nfs/dbraw/zinc/27/53/96/170275396.db2.gz CMQVZLYQDBKFRY-UHFFFAOYSA-N 0 0 280.368 4.168 10 0 CIAERN Brc1ccccc1-c1csc(NC2CC2)n1 ZINC000007274458 170275953 /nfs/dbraw/zinc/27/59/53/170275953.db2.gz CTSRUEXXXRXHID-UHFFFAOYSA-N 0 0 295.205 4.147 10 0 CIAERN Cc1c2ccccc2sc1C(=O)Nc1ccccc1 ZINC000007381933 170281120 /nfs/dbraw/zinc/28/11/20/170281120.db2.gz KIKYSOOAUSSOLY-UHFFFAOYSA-N 0 0 267.353 4.462 10 0 CIAERN C[C@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000007597612 170292374 /nfs/dbraw/zinc/29/23/74/170292374.db2.gz MFQOGNQPTQXFGB-VIFPVBQESA-N 0 0 295.716 4.109 10 0 CIAERN Cc1ccc(OCCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000007638281 170294999 /nfs/dbraw/zinc/29/49/99/170294999.db2.gz ZNLYZVBNUDKXCU-UHFFFAOYSA-N 0 0 283.371 4.019 10 0 CIAERN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000007668939 170296880 /nfs/dbraw/zinc/29/68/80/170296880.db2.gz AQSBGGCJPBVXLW-UHFFFAOYSA-N 0 0 289.762 4.380 10 0 CIAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1 ZINC000007885481 170305956 /nfs/dbraw/zinc/30/59/56/170305956.db2.gz BLCRQKGQAKORKH-SJKOYZFVSA-N 0 0 298.361 4.191 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccs1 ZINC000007885794 170305971 /nfs/dbraw/zinc/30/59/71/170305971.db2.gz LLZIXYZZGSSYQF-XHDPSFHLSA-N 0 0 286.400 4.113 10 0 CIAERN CCc1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000008106822 170319440 /nfs/dbraw/zinc/31/94/40/170319440.db2.gz NQUQSFQQASMPQF-HNNXBMFYSA-N 0 0 297.398 4.272 10 0 CIAERN C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1cccc(Cl)c1 ZINC000008222373 170325580 /nfs/dbraw/zinc/32/55/80/170325580.db2.gz LEDNPDOHMIPMCW-GHMZBOCLSA-N 0 0 282.840 4.300 10 0 CIAERN Oc1ccc(-c2nc(-c3cccs3)cs2)cc1 ZINC000008297552 170329440 /nfs/dbraw/zinc/32/94/40/170329440.db2.gz GWDWFMHYDVWXPR-UHFFFAOYSA-N 0 0 259.355 4.244 10 0 CIAERN CCc1ccccc1NC(=O)c1ccnc(C(C)(C)C)c1 ZINC000008338885 170331948 /nfs/dbraw/zinc/33/19/48/170331948.db2.gz GDJMBIRMBQAFFT-UHFFFAOYSA-N 0 0 282.387 4.194 10 0 CIAERN O=C(OC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000008512652 170338704 /nfs/dbraw/zinc/33/87/04/170338704.db2.gz BIUYJFJOOUHVOJ-UHFFFAOYSA-N 0 0 273.159 4.483 10 0 CIAERN COc1ccc(C(=O)C2CCCC2)c2ccccc12 ZINC000009237892 170368068 /nfs/dbraw/zinc/36/80/68/170368068.db2.gz ACQKMSRNHKXRKO-UHFFFAOYSA-N 0 0 254.329 4.221 10 0 CIAERN CC(=O)c1ccn(Cc2ccc(Cl)cc2Cl)c1 ZINC000009246070 170368138 /nfs/dbraw/zinc/36/81/38/170368138.db2.gz FCNQVPKIJPDGHG-UHFFFAOYSA-N 0 0 268.143 4.046 10 0 CIAERN COc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 ZINC000009280369 170369979 /nfs/dbraw/zinc/36/99/79/170369979.db2.gz BOXJBHWRTFJCKG-ZYSHUDEJSA-N 0 0 295.382 4.330 10 0 CIAERN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C=O ZINC000009280585 170370206 /nfs/dbraw/zinc/37/02/06/170370206.db2.gz HQOZRXDBUOIGJP-UHFFFAOYSA-N 0 0 292.338 4.094 10 0 CIAERN CCOc1ccccc1NC(=S)N1[C@H](C)CCC[C@H]1C ZINC000013826910 170601054 /nfs/dbraw/zinc/60/10/54/170601054.db2.gz CRXKTIARIGSIKH-CHWSQXEVSA-N 0 0 292.448 4.045 10 0 CIAERN Cc1cc(C)cc(NC(=S)N2[C@H](C)CCC[C@H]2C)c1 ZINC000013826782 170601186 /nfs/dbraw/zinc/60/11/86/170601186.db2.gz VSMBJUVIDQZDDU-ZIAGYGMSSA-N 0 0 276.449 4.263 10 0 CIAERN COc1cccc(-c2cc(=O)c3cc4ccoc4cc3o2)c1 ZINC000014677226 170642351 /nfs/dbraw/zinc/64/23/51/170642351.db2.gz URNICEODGHJCAQ-UHFFFAOYSA-N 0 0 292.290 4.215 10 0 CIAERN Cc1ccc(N2C(=N)S/C(=C\c3ccccc3)C2=O)cc1 ZINC000015052948 170655265 /nfs/dbraw/zinc/65/52/65/170655265.db2.gz GUNKMUPUOIIBRI-QMGYSKEOSA-N 0 0 294.379 4.051 10 0 CIAERN O=C(c1ccccc1)[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000016887697 170713678 /nfs/dbraw/zinc/71/36/78/170713678.db2.gz NYNQPHLKQQWYQE-LJQANCHMSA-N 0 0 288.346 4.407 10 0 in-vitro CIAERN C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000018174688 170745460 /nfs/dbraw/zinc/74/54/60/170745460.db2.gz UVYGYLBENVASPE-JTQLQIEISA-N 0 0 292.741 4.362 10 0 CIAERN Nc1sc(-c2ccccc2)cc1C(=O)c1ccccc1 ZINC000019767108 170855461 /nfs/dbraw/zinc/85/54/61/170855461.db2.gz WICIJBIBAZXXET-UHFFFAOYSA-N 0 0 279.364 4.228 10 0 CIAERN Nc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000019810324 170878836 /nfs/dbraw/zinc/87/88/36/170878836.db2.gz VNNSRWJAJCQYHC-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN Nc1cc(Cl)ccc1SCc1cccc(F)c1 ZINC000019815504 170880892 /nfs/dbraw/zinc/88/08/92/170880892.db2.gz HJUDLUSIPBLZLG-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN Nc1cc(Br)ccc1SCc1ccccc1 ZINC000019845526 170893820 /nfs/dbraw/zinc/89/38/20/170893820.db2.gz FEDRFZRCOSBBFM-UHFFFAOYSA-N 0 0 294.217 4.324 10 0 CIAERN CC(=O)c1c(F)cccc1Sc1nc2ccccc2[nH]1 ZINC000019871760 170902311 /nfs/dbraw/zinc/90/23/11/170902311.db2.gz FQINNCSTDDPKCF-UHFFFAOYSA-N 0 0 286.331 4.056 10 0 CIAERN C[C@@H](Nc1ccccc1)c1ccccc1OC(F)F ZINC000019879434 170907760 /nfs/dbraw/zinc/90/77/60/170907760.db2.gz IUIGQBAHXXCMLV-LLVKDONJSA-N 0 0 263.287 4.461 10 0 CIAERN COc1ccccc1N[C@@H](c1ccco1)c1ccccc1 ZINC000019902030 170914332 /nfs/dbraw/zinc/91/43/32/170914332.db2.gz IVICPFSESMLRQT-GOSISDBHSA-N 0 0 279.339 4.490 10 0 CIAERN COc1ccc(N[C@@H](C)c2cccc(O)c2)cc1Cl ZINC000019903569 170915317 /nfs/dbraw/zinc/91/53/17/170915317.db2.gz YCNCRFRTLVEPEZ-JTQLQIEISA-N 0 0 277.751 4.227 10 0 CIAERN COc1cccc([C@H](C)Nc2cccc3ncccc32)c1 ZINC000019906852 170919295 /nfs/dbraw/zinc/91/92/95/170919295.db2.gz ONXFUVUDAUJVBE-ZDUSSCGKSA-N 0 0 278.355 4.417 10 0 CIAERN c1ccc2c(c1)CC[C@@H]2Nc1cccc2ncccc21 ZINC000019906848 170919297 /nfs/dbraw/zinc/91/92/97/170919297.db2.gz YCYGLOPNSODTRE-SFHVURJKSA-N 0 0 260.340 4.334 10 0 CIAERN Cc1ccc([C@H](C)Nc2cccc3ncccc32)o1 ZINC000019906850 170919340 /nfs/dbraw/zinc/91/93/40/170919340.db2.gz XIQDGCSXSRFVLW-LBPRGKRZSA-N 0 0 252.317 4.309 10 0 CIAERN COc1cc(N[C@@H](C)c2c(F)cccc2F)cc(OC)c1 ZINC000019909529 170920671 /nfs/dbraw/zinc/92/06/71/170920671.db2.gz FSSIIPJCPLSXRT-JTQLQIEISA-N 0 0 293.313 4.155 10 0 CIAERN Cc1ccc(N[C@@H]2CCOc3ccccc32)cc1C ZINC000019920269 170928245 /nfs/dbraw/zinc/92/82/45/170928245.db2.gz YJEBAJSYQVZATB-MRXNPFEDSA-N 0 0 253.345 4.239 10 0 CIAERN CCOc1ccc([C@H](C)Nc2ccccc2F)cc1 ZINC000019944546 170935969 /nfs/dbraw/zinc/93/59/69/170935969.db2.gz HABDFHQPCUPGIX-LBPRGKRZSA-N 0 0 259.324 4.398 10 0 CIAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccccc1F ZINC000019944758 170936113 /nfs/dbraw/zinc/93/61/13/170936113.db2.gz VAHTYXSBSWVECN-INIZCTEOSA-N 0 0 271.335 4.324 10 0 CIAERN COc1ccc([C@H](C)Nc2ccc(F)cc2F)cc1OC ZINC000019952398 170940233 /nfs/dbraw/zinc/94/02/33/170940233.db2.gz ZFDSYWZFCASKAA-JTQLQIEISA-N 0 0 293.313 4.155 10 0 CIAERN C[C@H](Nc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000019962014 170944324 /nfs/dbraw/zinc/94/43/24/170944324.db2.gz JFOGFXBFPMXYAN-VIFPVBQESA-N 0 0 251.251 4.277 10 0 CIAERN c1ccc2c(c1)CCCC[C@@H]2Nc1ccc2c(c1)OCO2 ZINC000019966217 170947793 /nfs/dbraw/zinc/94/77/93/170947793.db2.gz OCZSUGFCVRUJCW-INIZCTEOSA-N 0 0 281.355 4.295 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1ccc2c(c1)CCC2 ZINC000019980868 170958965 /nfs/dbraw/zinc/95/89/65/170958965.db2.gz KKYHYOXNIOPJMA-UHFFFAOYSA-N 0 0 270.303 4.309 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1cc(OC)ccc1OC ZINC000019986844 170961130 /nfs/dbraw/zinc/96/11/30/170961130.db2.gz ZAALHYXMIAERIP-OLZOCXBDSA-N 0 0 265.397 4.331 10 0 CIAERN CC(C)C[C@H](C)Nc1ccccc1Br ZINC000019993984 170963529 /nfs/dbraw/zinc/96/35/29/170963529.db2.gz QLFOLJOBVLBBPX-JTQLQIEISA-N 0 0 256.187 4.296 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1ccccc1OC(F)F ZINC000019995664 170963790 /nfs/dbraw/zinc/96/37/90/170963790.db2.gz COGDNBHZTDOBBU-QWRGUYRKSA-N 0 0 255.308 4.279 10 0 CIAERN CCCOc1ccccc1Oc1ccc(C=O)cc1 ZINC000020079394 170985502 /nfs/dbraw/zinc/98/55/02/170985502.db2.gz CATUZDOBYSCURV-UHFFFAOYSA-N 0 0 256.301 4.080 10 0 CIAERN CCCOc1ccccc1Oc1ccccc1C=O ZINC000020079392 170985579 /nfs/dbraw/zinc/98/55/79/170985579.db2.gz JISCXCZVTIDWCY-UHFFFAOYSA-N 0 0 256.301 4.080 10 0 CIAERN CSCCCNc1ccc(OC(F)F)c(Cl)c1 ZINC000020095261 170994532 /nfs/dbraw/zinc/99/45/32/170994532.db2.gz ZGQIWCYXDICJJI-UHFFFAOYSA-N 0 0 281.755 4.106 10 0 CIAERN C[C@H](Nc1ccc2[nH]ccc2c1)c1ccc(O)cc1 ZINC000020132435 171020544 /nfs/dbraw/zinc/02/05/44/171020544.db2.gz KIBGJBQXCNTOIW-NSHDSACASA-N 0 0 252.317 4.047 10 0 CIAERN CCC(=O)Nc1cccc(NC2CCCCCC2)c1 ZINC000020131814 171020781 /nfs/dbraw/zinc/02/07/81/171020781.db2.gz JZZZOWLFSZGSJL-UHFFFAOYSA-N 0 0 260.381 4.170 10 0 CIAERN C[C@H](NCc1nc2ccccc2s1)c1cccc(F)c1 ZINC000020136290 171023762 /nfs/dbraw/zinc/02/37/62/171023762.db2.gz PJQTWIJWNWSEEI-NSHDSACASA-N 0 0 286.375 4.286 10 0 CIAERN Cc1nc(-c2ccc(N[C@H]3CCSC3)cc2)cs1 ZINC000020147468 171034703 /nfs/dbraw/zinc/03/47/03/171034703.db2.gz OIZDIZSUOTVMBD-ZDUSSCGKSA-N 0 0 276.430 4.036 10 0 CIAERN Oc1cccc(NCc2cccc(C(F)(F)F)c2)c1 ZINC000020193075 171059110 /nfs/dbraw/zinc/05/91/10/171059110.db2.gz WTLSNVWOTFLFCT-UHFFFAOYSA-N 0 0 267.250 4.023 10 0 CIAERN c1ccc2nc(CNc3ccc4c(c3)CCC4)ccc2c1 ZINC000020246246 171098976 /nfs/dbraw/zinc/09/89/76/171098976.db2.gz XWTUYKQUJUKXRT-UHFFFAOYSA-N 0 0 274.367 4.336 10 0 CIAERN CCOc1ccccc1NCc1ccc2ccccc2n1 ZINC000020246215 171099242 /nfs/dbraw/zinc/09/92/42/171099242.db2.gz IYBGCVRECJRHIL-UHFFFAOYSA-N 0 0 278.355 4.246 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(N)cc1F ZINC000020352229 171156184 /nfs/dbraw/zinc/15/61/84/171156184.db2.gz ZIZKOURTTXOCMG-GHJWDPDVSA-N 0 0 265.372 4.248 10 0 CIAERN Cc1ccc(C(=O)c2oc3ccccc3c2C)s1 ZINC000020362328 171160981 /nfs/dbraw/zinc/16/09/81/171160981.db2.gz OPOYUUVIMTYYNQ-UHFFFAOYSA-N 0 0 256.326 4.342 10 0 CIAERN Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1N ZINC000020376193 171171385 /nfs/dbraw/zinc/17/13/85/171171385.db2.gz IYKJVMJKOUUGGF-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1ccc(Br)cc1N ZINC000020383648 171174014 /nfs/dbraw/zinc/17/40/14/171174014.db2.gz QCQSMJADTLEKPU-JOYOIKCWSA-N 0 0 283.213 4.022 10 0 CIAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000020389686 171179198 /nfs/dbraw/zinc/17/91/98/171179198.db2.gz AIJSNHBSMHPUNW-HNNXBMFYSA-N 0 0 275.710 4.273 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1ccc(F)cc1Br ZINC000020430268 171195259 /nfs/dbraw/zinc/19/52/59/171195259.db2.gz JEMDASJMOXVGBR-IUCAKERBSA-N 0 0 274.177 4.435 10 0 CIAERN CC[C@H](C)CNc1ccc(F)cc1Br ZINC000020430287 171195272 /nfs/dbraw/zinc/19/52/72/171195272.db2.gz WPXJFMDLFQVCTJ-QMMMGPOBSA-N 0 0 260.150 4.046 10 0 CIAERN Fc1ccc(NCc2ccccc2)c(Br)c1 ZINC000020430373 171195284 /nfs/dbraw/zinc/19/52/84/171195284.db2.gz ZYWNARZUNLGHGH-UHFFFAOYSA-N 0 0 280.140 4.200 10 0 CIAERN Nc1nc2c(s1)c(Cl)ccc2Oc1ccccc1 ZINC000020432681 171197547 /nfs/dbraw/zinc/19/75/47/171197547.db2.gz GHYZCPCIQIBDQQ-UHFFFAOYSA-N 0 0 276.748 4.324 10 0 CIAERN CC[C@@H]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020432997 171197751 /nfs/dbraw/zinc/19/77/51/171197751.db2.gz GFGPIVVJYZBOSL-SNVBAGLBSA-N 0 0 259.374 4.031 10 0 CIAERN OCc1ccc(Oc2cccc3ccccc32)cc1 ZINC000020435412 171201149 /nfs/dbraw/zinc/20/11/49/171201149.db2.gz UAAMEQOLHISSMV-UHFFFAOYSA-N 0 0 250.297 4.124 10 0 CIAERN Cc1ccc(Oc2cccc(Cl)c2CO)cc1C ZINC000020435371 171201160 /nfs/dbraw/zinc/20/11/60/171201160.db2.gz BCGXYRMCILRQAI-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN Fc1ccc(-c2csc(=S)n2CN2CCCC2)cc1 ZINC000020436464 171202010 /nfs/dbraw/zinc/20/20/10/171202010.db2.gz ZNECECLJWSEHCJ-UHFFFAOYSA-N 0 0 294.420 4.138 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccc(N)cc1F ZINC000020474913 171219478 /nfs/dbraw/zinc/21/94/78/171219478.db2.gz XQBTWXDWPFILJO-UHFFFAOYSA-N 0 0 251.688 4.162 10 0 CIAERN Cc1nc(N)sc1SCc1ccc(C(C)C)cc1 ZINC000020475730 171220029 /nfs/dbraw/zinc/22/00/29/171220029.db2.gz GMRXFFSNRVKZHZ-UHFFFAOYSA-N 0 0 278.446 4.449 10 0 CIAERN Nc1ccc(SCc2ccco2)cc1C(F)(F)F ZINC000020480760 171221622 /nfs/dbraw/zinc/22/16/22/171221622.db2.gz DCCCJVVTCFNQDH-UHFFFAOYSA-N 0 0 273.279 4.173 10 0 CIAERN CCCC[C@@H](CC)C(=O)Nc1cc(Cl)ccc1N ZINC000020481678 171222122 /nfs/dbraw/zinc/22/21/22/171222122.db2.gz KFVLBRSGJRSCKR-SNVBAGLBSA-N 0 0 268.788 4.077 10 0 CIAERN CC(=O)c1ccc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000020516906 171232691 /nfs/dbraw/zinc/23/26/91/171232691.db2.gz KIUSIIXEOLPKDG-MLGOLLRUSA-N 0 0 260.377 4.483 10 0 CIAERN C[C@@H]1C[C@@H](Oc2ccc(C=O)cc2F)CC(C)(C)C1 ZINC000020517141 171232732 /nfs/dbraw/zinc/23/27/32/171232732.db2.gz FMQGJHAQKHEOEJ-DGCLKSJQSA-N 0 0 264.340 4.232 10 0 CIAERN CC(=O)c1ccc(OC[C@H]2CC=CC[C@@H]2C)c(F)c1 ZINC000020519280 171233574 /nfs/dbraw/zinc/23/35/74/171233574.db2.gz UZANHSLYYAXQGD-SMDDNHRTSA-N 0 0 262.324 4.009 10 0 CIAERN CCCCCC[C@H](C)Nc1cc(OC)ccc1OC ZINC000020519994 171234085 /nfs/dbraw/zinc/23/40/85/171234085.db2.gz MGZKUTDJIIBLFN-ZDUSSCGKSA-N 0 0 265.397 4.475 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cccc(Cl)c1C ZINC000020524247 171237376 /nfs/dbraw/zinc/23/73/76/171237376.db2.gz ODTWPRVIOGNSAS-JTQLQIEISA-N 0 0 255.789 4.264 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cccc(Cl)c1F ZINC000020524806 171237821 /nfs/dbraw/zinc/23/78/21/171237821.db2.gz ZGGVITBFKVMESK-VIFPVBQESA-N 0 0 259.752 4.095 10 0 CIAERN FC(F)(F)c1ccc(NCCc2ccccc2)cc1 ZINC000020544728 171243134 /nfs/dbraw/zinc/24/31/34/171243134.db2.gz RLROMTOKNUBCON-UHFFFAOYSA-N 0 0 265.278 4.360 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1cc(C)ccc1C ZINC000020547889 171245515 /nfs/dbraw/zinc/24/55/15/171245515.db2.gz IBGWCDXIZGYYET-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN COc1ccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)cn1 ZINC000020548068 171245672 /nfs/dbraw/zinc/24/56/72/171245672.db2.gz VOWCEOGSTXJWHS-UONOGXRCSA-N 0 0 262.397 4.107 10 0 CIAERN Nc1cccc(Cl)c1O[C@H]1CCCc2ccccc21 ZINC000020556673 171250217 /nfs/dbraw/zinc/25/02/17/171250217.db2.gz QEJAVGVCAMAUQB-HNNXBMFYSA-N 0 0 273.763 4.379 10 0 CIAERN CCN(c1ccccc1)c1ccc(C(F)(F)F)cc1N ZINC000020557220 171250227 /nfs/dbraw/zinc/25/02/27/171250227.db2.gz RLHRWBTUVRVGIJ-UHFFFAOYSA-N 0 0 280.293 4.446 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1cc(Cl)c(OC)cc1OC ZINC000020558851 171251204 /nfs/dbraw/zinc/25/12/04/171251204.db2.gz UUOBGEUWKZKQFR-ZJUUUORDSA-N 0 0 271.788 4.204 10 0 CIAERN CC(=O)c1cc(F)ccc1N(Cc1ccccc1)C(C)C ZINC000020562252 171252150 /nfs/dbraw/zinc/25/21/50/171252150.db2.gz JXVUCSBKWBSCJE-UHFFFAOYSA-N 0 0 285.362 4.443 10 0 CIAERN CC[C@H]1CCCC[C@H]1Oc1ccc(N)cc1Cl ZINC000020563203 171252651 /nfs/dbraw/zinc/25/26/51/171252651.db2.gz RMBKQRBLCRHXQV-GXFFZTMASA-N 0 0 253.773 4.270 10 0 CIAERN COc1cc(OC)c(NCCc2ccccc2)cc1Cl ZINC000020565506 171253981 /nfs/dbraw/zinc/25/39/81/171253981.db2.gz KTYPVMOUYTUSOW-UHFFFAOYSA-N 0 0 291.778 4.012 10 0 CIAERN Nc1ccccc1Nc1ccc(Cl)cc1Cl ZINC000020584974 171258350 /nfs/dbraw/zinc/25/83/50/171258350.db2.gz DSSMTOPNBQLAEV-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Cc1cc(Nc2ccc(F)cc2N)ccc1Br ZINC000020585240 171258634 /nfs/dbraw/zinc/25/86/34/171258634.db2.gz UJKWIMQYBKDQBF-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Nc1ccc(Nc2ccc3c(c2)CCC3)c(Cl)c1 ZINC000020585372 171258636 /nfs/dbraw/zinc/25/86/36/171258636.db2.gz HVFVSWMLLOWPMP-UHFFFAOYSA-N 0 0 258.752 4.155 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccc(F)c(F)c1F ZINC000020585176 171258674 /nfs/dbraw/zinc/25/86/74/171258674.db2.gz YRKUHHPDKNWYEO-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccc2c(c1)CCC2 ZINC000020585368 171258802 /nfs/dbraw/zinc/25/88/02/171258802.db2.gz XIWHGNTTYPDFEG-UHFFFAOYSA-N 0 0 258.752 4.155 10 0 CIAERN Cc1ccc(C)c(-n2c3ccccc3[nH]c2=S)c1 ZINC000020585952 171258896 /nfs/dbraw/zinc/25/88/96/171258896.db2.gz VHSJRKMPXIAXCP-UHFFFAOYSA-N 0 0 254.358 4.305 10 0 CIAERN Nc1ccc(Nc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000020585840 171258992 /nfs/dbraw/zinc/25/89/92/171258992.db2.gz RZOXGVBXNFPLOI-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1cc(Br)ccc1Nc1ccc(F)cc1F ZINC000020585599 171259028 /nfs/dbraw/zinc/25/90/28/171259028.db2.gz IQMJCRRFYONLEQ-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN CCC[C@H](C)n1c(=S)[nH]nc1-c1cccs1 ZINC000020591120 171261355 /nfs/dbraw/zinc/26/13/55/171261355.db2.gz GKWRLHINMCESMV-QMMMGPOBSA-N 0 0 253.396 4.030 10 0 CIAERN COc1ccc(C)cc1[C@H](N)c1oc2ccccc2c1C ZINC000020592939 171262408 /nfs/dbraw/zinc/26/24/08/171262408.db2.gz LRHNZXKIYRMVMK-KRWDZBQOSA-N 0 0 281.355 4.106 10 0 CIAERN N[C@H](c1cc2cc(Cl)cc(Cl)c2o1)c1ccccn1 ZINC000020593092 171262491 /nfs/dbraw/zinc/26/24/91/171262491.db2.gz OUOYUEWMZJTLGQ-ZDUSSCGKSA-N 0 0 293.153 4.183 10 0 CIAERN Fc1ccc(N[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000020594792 171263567 /nfs/dbraw/zinc/26/35/67/171263567.db2.gz JFPVBHMIWWIPHQ-CYBMUJFWSA-N 0 0 277.726 4.415 10 0 CIAERN Fc1ccc(N[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000020594794 171263613 /nfs/dbraw/zinc/26/36/13/171263613.db2.gz JFPVBHMIWWIPHQ-ZDUSSCGKSA-N 0 0 277.726 4.415 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1Cl)c1ccc(O)cc1 ZINC000020595121 171264092 /nfs/dbraw/zinc/26/40/92/171264092.db2.gz BBJSTOZOSJTOFS-SECBINFHSA-N 0 0 265.715 4.358 10 0 CIAERN CC(C)C[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000021008948 171285383 /nfs/dbraw/zinc/28/53/83/171285383.db2.gz IMNGEWDQBCTIIN-SNVBAGLBSA-N 0 0 261.287 4.432 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000021008843 171285491 /nfs/dbraw/zinc/28/54/91/171285491.db2.gz KJLVFQFJJBQJKO-VHSXEESVSA-N 0 0 261.287 4.432 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000021008842 171285685 /nfs/dbraw/zinc/28/56/85/171285685.db2.gz KJLVFQFJJBQJKO-NXEZZACHSA-N 0 0 261.287 4.432 10 0 CIAERN CC(C)(C)c1ccc(COc2cccc(N)c2)cc1 ZINC000021009685 171286202 /nfs/dbraw/zinc/28/62/02/171286202.db2.gz BVCULJMOZILLMW-UHFFFAOYSA-N 0 0 255.361 4.145 10 0 CIAERN C[C@@H](CNc1cccc2cccnc21)c1ccccc1 ZINC000021011780 171287079 /nfs/dbraw/zinc/28/70/79/171287079.db2.gz HWHUPSJUTVKHDA-AWEZNQCLSA-N 0 0 262.356 4.450 10 0 CIAERN CSCCCNc1cccc(Cl)c1Cl ZINC000021018830 171290189 /nfs/dbraw/zinc/29/01/89/171290189.db2.gz HXWUJEJYAVNYMP-UHFFFAOYSA-N 0 0 250.194 4.158 10 0 CIAERN FC(F)Oc1ccccc1NC1CCCCCC1 ZINC000021029079 171291774 /nfs/dbraw/zinc/29/17/74/171291774.db2.gz LPKSBGRXZOSCHO-UHFFFAOYSA-N 0 0 255.308 4.423 10 0 CIAERN COc1ccc(Cl)cc1NCCCc1ccccc1 ZINC000021040976 171293266 /nfs/dbraw/zinc/29/32/66/171293266.db2.gz FTBNXLYKLHCDNW-UHFFFAOYSA-N 0 0 275.779 4.393 10 0 CIAERN COc1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1Cl ZINC000021042750 171293793 /nfs/dbraw/zinc/29/37/93/171293793.db2.gz UCVZSSPHGQOFMU-GHMZBOCLSA-N 0 0 253.773 4.339 10 0 CIAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccc(F)c(F)c1 ZINC000021052426 171295045 /nfs/dbraw/zinc/29/50/45/171295045.db2.gz LNQUBATXQCEWFI-QGZVFWFLSA-N 0 0 289.325 4.463 10 0 CIAERN Nc1cc(Cl)ccc1Oc1cccc2cccnc21 ZINC000021061061 171297280 /nfs/dbraw/zinc/29/72/80/171297280.db2.gz GVEFERMIROFPJD-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN CCN(Cc1ccccc1N)c1cccc2ccccc21 ZINC000021502064 171305841 /nfs/dbraw/zinc/30/58/41/171305841.db2.gz YIFYDTIFMLWFLC-UHFFFAOYSA-N 0 0 276.383 4.449 10 0 CIAERN COc1ccc(C)cc1N[C@H](C)CCc1ccccc1 ZINC000021502368 171305954 /nfs/dbraw/zinc/30/59/54/171305954.db2.gz KLRBKBPGZUSXNP-OAHLLOKOSA-N 0 0 269.388 4.437 10 0 CIAERN COc1cc(Cl)c(C)cc1NCCc1ccccc1 ZINC000021504555 171307299 /nfs/dbraw/zinc/30/72/99/171307299.db2.gz DNGVVPJUUJFGOF-UHFFFAOYSA-N 0 0 275.779 4.312 10 0 CIAERN Cc1c(Cl)cccc1Nc1ccc(C(N)=S)cc1 ZINC000021506063 171308004 /nfs/dbraw/zinc/30/80/04/171308004.db2.gz XTYJETXLYXHVSP-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1 ZINC000021509347 171309127 /nfs/dbraw/zinc/30/91/27/171309127.db2.gz DFUJEUKAGNZPJT-JTQLQIEISA-N 0 0 277.270 4.181 10 0 CIAERN CCOc1ccc(NCCCc2ccccc2)cc1 ZINC000021795208 171324666 /nfs/dbraw/zinc/32/46/66/171324666.db2.gz LWNNDNZXIXRFEK-UHFFFAOYSA-N 0 0 255.361 4.130 10 0 CIAERN Cc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1O ZINC000021798462 171325050 /nfs/dbraw/zinc/32/50/50/171325050.db2.gz VKQKGUWPSKUFEF-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN CCCCC[C@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021798957 171325534 /nfs/dbraw/zinc/32/55/34/171325534.db2.gz IVNVLZCKJUVEQG-JTQLQIEISA-N 0 0 271.307 4.389 10 0 CIAERN FC(F)(F)c1cc2c(c(C(F)(F)F)c1)CCCN2 ZINC000021800619 171325997 /nfs/dbraw/zinc/32/59/97/171325997.db2.gz JUQKWDMYICNLRK-UHFFFAOYSA-N 0 0 269.188 4.082 10 0 CIAERN CCC[C@H](C)Nc1ccc(C)cc1Br ZINC000021805121 171327038 /nfs/dbraw/zinc/32/70/38/171327038.db2.gz AZUXSYDDQZUSCR-JTQLQIEISA-N 0 0 256.187 4.358 10 0 CIAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc2c(c1)OCCCO2 ZINC000021806087 171327434 /nfs/dbraw/zinc/32/74/34/171327434.db2.gz AEZAFOIFOBIKHD-MPYYAJLASA-N 0 0 275.392 4.085 10 0 CIAERN COc1cc(OC)c(N[C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000021806859 171327875 /nfs/dbraw/zinc/32/78/75/171327875.db2.gz BHDVLWAVJWOKTO-CMPLNLGQSA-N 0 0 283.799 4.348 10 0 CIAERN COc1cc(N[C@@H]2CCCC[C@H]2C)c(OC)cc1Cl ZINC000021812030 171329578 /nfs/dbraw/zinc/32/95/78/171329578.db2.gz QSGFPYUORLKHBW-ZYHUDNBSSA-N 0 0 283.799 4.348 10 0 CIAERN CC(=O)c1ccc(N2c3ccccc3C[C@@H]2C)c(F)c1 ZINC000021812954 171330608 /nfs/dbraw/zinc/33/06/08/171330608.db2.gz IEGLNOYQWQXGPF-NSHDSACASA-N 0 0 269.319 4.111 10 0 CIAERN CCC[C@H](Nc1ccc(OC)nc1)c1ccccc1 ZINC000021813486 171331100 /nfs/dbraw/zinc/33/11/00/171331100.db2.gz ALGHZNFWWTXWEF-HNNXBMFYSA-N 0 0 256.349 4.044 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000021817724 171333411 /nfs/dbraw/zinc/33/34/11/171333411.db2.gz NRCCLSQCEHWCOV-RNFRBKRXSA-N 0 0 279.252 4.373 10 0 CIAERN CSc1ccc(CNc2ccc(F)c(F)c2F)cc1 ZINC000021818254 171333443 /nfs/dbraw/zinc/33/34/43/171333443.db2.gz WJHHCSXSRUEVLT-UHFFFAOYSA-N 0 0 283.318 4.438 10 0 CIAERN CC(C)Cc1ccc([C@@H](C)NCC(F)(F)F)cc1 ZINC000021820138 171334588 /nfs/dbraw/zinc/33/45/88/171334588.db2.gz LTNAWTHEKGWFKH-LLVKDONJSA-N 0 0 259.315 4.098 10 0 CIAERN Nc1ccc(-c2ccc(Cl)c(Cl)c2)cc1F ZINC000021950690 171339408 /nfs/dbraw/zinc/33/94/08/171339408.db2.gz UBXPZKQQWRQRLK-UHFFFAOYSA-N 0 0 256.107 4.382 10 0 CIAERN Cc1ccc(N)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000021951010 171339728 /nfs/dbraw/zinc/33/97/28/171339728.db2.gz XMNFHXUHHOXKRX-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN O=Cc1ccc(F)c(-c2ccccc2OC(F)(F)F)c1 ZINC000021950812 171339766 /nfs/dbraw/zinc/33/97/66/171339766.db2.gz GYRHTDVAFHLCDR-UHFFFAOYSA-N 0 0 284.208 4.204 10 0 CIAERN COc1ccc(-c2nc3c(cccc3F)s2)cc1OC ZINC000021993290 171347042 /nfs/dbraw/zinc/34/70/42/171347042.db2.gz NQTJLOVYFPWUND-UHFFFAOYSA-N 0 0 289.331 4.120 10 0 CIAERN COc1cc(OC)cc(-c2ccccc2Br)c1 ZINC000021995040 171347356 /nfs/dbraw/zinc/34/73/56/171347356.db2.gz IWLDSTZLVWVFJN-UHFFFAOYSA-N 0 0 293.160 4.133 10 0 CIAERN CCCCC[C@H](O)c1cccc(OCc2cccnc2)c1 ZINC000025988228 171469667 /nfs/dbraw/zinc/46/96/67/171469667.db2.gz ZXDGMEKRZYWEJX-SFHVURJKSA-N 0 0 285.387 4.274 10 0 CIAERN Clc1cc2cc(Br)[nH]c2cc1Cl ZINC000026489034 171488015 /nfs/dbraw/zinc/48/80/15/171488015.db2.gz DIELJODCLNAFKS-UHFFFAOYSA-N 0 0 264.937 4.237 10 0 CIAERN CC(C)n1c2ccccc2c2c1cc(F)c(N)c2F ZINC000027104169 171507585 /nfs/dbraw/zinc/50/75/85/171507585.db2.gz JEBXSAQHIRNJIX-UHFFFAOYSA-N 0 0 260.287 4.236 10 0 CIAERN COc1ccc2c(ccc(Cc3ccccc3)c2O)c1 ZINC000027194155 171510413 /nfs/dbraw/zinc/51/04/13/171510413.db2.gz MDDGEZSQYXIDJA-UHFFFAOYSA-N 0 0 264.324 4.145 10 0 CIAERN COc1ccccc1-c1cn2c3ccccc3sc2n1 ZINC000027310894 171512901 /nfs/dbraw/zinc/51/29/01/171512901.db2.gz QHIPIZYEQJZFJN-UHFFFAOYSA-N 0 0 280.352 4.225 10 0 CIAERN C[C@H](NC(=O)c1cccs1)c1ccc(-n2cccc2)cc1 ZINC000028303877 171556108 /nfs/dbraw/zinc/55/61/08/171556108.db2.gz DDNFHLQGNIBZOJ-ZDUSSCGKSA-N 0 0 296.395 4.030 10 0 CIAERN COc1ccc(-c2cc(=O)c3ccc4occc4c3o2)cc1 ZINC000028642534 171568707 /nfs/dbraw/zinc/56/87/07/171568707.db2.gz TVQDAUGFXODUEY-UHFFFAOYSA-N 0 0 292.290 4.215 10 0 biogenic,in-vitro CIAERN Clc1ccc([C@@H]2CCc3cccnc3O2)cc1Cl ZINC000029342176 171595029 /nfs/dbraw/zinc/59/50/29/171595029.db2.gz ZGZXPGYGYRATEU-ZDUSSCGKSA-N 0 0 280.154 4.455 10 0 CIAERN Cc1cc(Cl)cc2c(=O)cc(-c3ccccc3)[nH]c12 ZINC000032099905 171696785 /nfs/dbraw/zinc/69/67/85/171696785.db2.gz PDUMMKQLAPHXRO-UHFFFAOYSA-N 0 0 269.731 4.157 10 0 CIAERN CC(C)COc1ccccc1CNc1ccccc1 ZINC000032108814 171701223 /nfs/dbraw/zinc/70/12/23/171701223.db2.gz JXXDGXZNPMLACG-UHFFFAOYSA-N 0 0 255.361 4.334 10 0 CIAERN Cc1cccc(NC[C@@H](O)c2ccc(Cl)cc2)c1C ZINC000032122182 171712343 /nfs/dbraw/zinc/71/23/43/171712343.db2.gz WETFZEXAYRJCBP-MRXNPFEDSA-N 0 0 275.779 4.102 10 0 CIAERN Cc1ccc(/C=C\C(=O)Oc2cc(C)cc(C)c2)cc1 ZINC000033320315 171783423 /nfs/dbraw/zinc/78/34/23/171783423.db2.gz APHKCSCZMATJCC-HJWRWDBZSA-N 0 0 266.340 4.231 10 0 CIAERN Cc1ccc2c(c1)/C(=C\c1ccccc1Cl)C(=O)N2 ZINC000033678983 171817578 /nfs/dbraw/zinc/81/75/78/171817578.db2.gz TWFSCHLMGGFLOR-UKTHLTGXSA-N 0 0 269.731 4.141 10 0 CIAERN CC(C)CCCCCCOC(=O)c1ccccc1N ZINC000033986150 171829098 /nfs/dbraw/zinc/82/90/98/171829098.db2.gz QVRHULGJFPSMPU-UHFFFAOYSA-N 0 0 263.381 4.032 10 0 CIAERN Nc1ccc(Cl)cc1CSc1nc2ccccc2[nH]1 ZINC000034216080 171834616 /nfs/dbraw/zinc/83/46/16/171834616.db2.gz IHEVLDJLFREBSJ-UHFFFAOYSA-N 0 0 289.791 4.091 10 0 CIAERN CCCCN(CC)c1cc(Oc2cccc(C)c2)ncn1 ZINC000034769041 171866314 /nfs/dbraw/zinc/86/63/14/171866314.db2.gz QHSODBXKCCZGGD-UHFFFAOYSA-N 0 0 285.391 4.204 10 0 CIAERN Cn1cccc1C(c1cccn1C)C1CCCCC1 ZINC000034788441 171867039 /nfs/dbraw/zinc/86/70/39/171867039.db2.gz NTCDZQWIHIUXQP-UHFFFAOYSA-N 0 0 256.393 4.076 10 0 CIAERN Cc1ccc(C)c(C(=O)c2ccccc2Br)c1 ZINC000034976449 171910928 /nfs/dbraw/zinc/91/09/28/171910928.db2.gz ZDKFVCWBNQDTNN-UHFFFAOYSA-N 0 0 289.172 4.297 10 0 CIAERN C[C@H](Sc1ccccc1F)C(=O)c1ccc(F)c(F)c1 ZINC000034980612 171912851 /nfs/dbraw/zinc/91/28/51/171912851.db2.gz ZFBXBXJKXXJOQI-VIFPVBQESA-N 0 0 296.313 4.467 10 0 CIAERN C[C@@H](Nc1ccc2cn[nH]c2c1)c1ccccc1Cl ZINC000035019091 171937864 /nfs/dbraw/zinc/93/78/64/171937864.db2.gz DFXWSYRKRYVCGW-SNVBAGLBSA-N 0 0 271.751 4.389 10 0 CIAERN CCCCCCNc1ccc(C(=O)OC(C)C)cc1 ZINC000035037283 171943793 /nfs/dbraw/zinc/94/37/93/171943793.db2.gz FBSABBVKHVIBQU-UHFFFAOYSA-N 0 0 263.381 4.244 10 0 CIAERN c1ccc(-c2ccc(NCc3ccncc3)cc2)cc1 ZINC000035039167 171945542 /nfs/dbraw/zinc/94/55/42/171945542.db2.gz OXEKKYMTFLTYDM-UHFFFAOYSA-N 0 0 260.340 4.361 10 0 CIAERN CSc1nc2ccc(NCc3ccncc3)cc2s1 ZINC000035041350 171945840 /nfs/dbraw/zinc/94/58/40/171945840.db2.gz VTHLUZZEESHVJC-UHFFFAOYSA-N 0 0 287.413 4.025 10 0 CIAERN CN(C)c1ccc(Cl)cc1NCc1ccc(F)c(F)c1 ZINC000035046021 171948774 /nfs/dbraw/zinc/94/87/74/171948774.db2.gz DNQBAMSSMMIHPR-UHFFFAOYSA-N 0 0 296.748 4.296 10 0 CIAERN Cc1cc(-c2ccco2)cc(/C=C/c2ccco2)n1 ZINC000035077545 171965319 /nfs/dbraw/zinc/96/53/19/171965319.db2.gz NYRUROIUOYTSIR-VOTSOKGWSA-N 0 0 251.285 4.413 10 0 CIAERN Cc1cccc(NC(=O)c2c[nH]c3ccccc23)c1C ZINC000035134580 172000625 /nfs/dbraw/zinc/00/06/25/172000625.db2.gz VNDUOELQOUGDKF-UHFFFAOYSA-N 0 0 264.328 4.037 10 0 CIAERN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)c(Cl)c1 ZINC000035134619 172001346 /nfs/dbraw/zinc/00/13/46/172001346.db2.gz OMQKSGALFRPGIA-UHFFFAOYSA-N 0 0 284.746 4.382 10 0 CIAERN O=C(Nc1ccc(F)c(Cl)c1)c1c[nH]c2ccccc12 ZINC000035134629 172001439 /nfs/dbraw/zinc/00/14/39/172001439.db2.gz JTISNFVYLAWJEV-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN CCOc1ccc(OCC(=O)c2ccccc2Cl)cc1 ZINC000035181308 172034755 /nfs/dbraw/zinc/03/47/55/172034755.db2.gz CUMQUBVLYJNSMH-UHFFFAOYSA-N 0 0 290.746 4.000 10 0 CIAERN CCOc1ccc(OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000035181363 172034900 /nfs/dbraw/zinc/03/49/00/172034900.db2.gz SRFQHJHAVABBOJ-UHFFFAOYSA-N 0 0 290.746 4.000 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(F)cc2)c(C)c1 ZINC000035181821 172035357 /nfs/dbraw/zinc/03/53/57/172035357.db2.gz FFDHWYJLQNHKKW-ZDUSSCGKSA-N 0 0 272.319 4.093 10 0 CIAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(F)cc2)c(C)c1 ZINC000035181822 172035540 /nfs/dbraw/zinc/03/55/40/172035540.db2.gz FFDHWYJLQNHKKW-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN CC(C)c1ccc(O[C@H](C)C(=O)c2ccccc2)cc1 ZINC000035181855 172035567 /nfs/dbraw/zinc/03/55/67/172035567.db2.gz JXLWGOIPEYNLAV-CQSZACIVSA-N 0 0 268.356 4.460 10 0 CIAERN Cc1cc(C)cc(OCC(=O)c2ccc(Cl)cc2)c1 ZINC000035182395 172035913 /nfs/dbraw/zinc/03/59/13/172035913.db2.gz CCVZFYCKXYPCHK-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN CCCc1ccc(C(=O)CS[C@H](C)CC)cc1 ZINC000035182550 172036010 /nfs/dbraw/zinc/03/60/10/172036010.db2.gz HIYQMSUOOIAYID-GFCCVEGCSA-N 0 0 250.407 4.354 10 0 CIAERN CC[C@H](C)SCC(=O)c1ccc(Br)s1 ZINC000035182674 172036034 /nfs/dbraw/zinc/03/60/34/172036034.db2.gz YZFDBVGYPBEJIA-ZETCQYMHSA-N 0 0 293.251 4.225 10 0 CIAERN CCc1ccc(OCC(=O)c2c(C)cc(C)cc2C)cc1 ZINC000035182863 172036606 /nfs/dbraw/zinc/03/66/06/172036606.db2.gz MONGEWBMNPRIIS-UHFFFAOYSA-N 0 0 282.383 4.436 10 0 CIAERN Cc1cc(C)c(C(=O)CSCC(C)C)cc1C ZINC000035182930 172037061 /nfs/dbraw/zinc/03/70/61/172037061.db2.gz XKJNCBYFOLUDRG-UHFFFAOYSA-N 0 0 250.407 4.184 10 0 CIAERN Cc1cc(C)c(C(=O)COc2ccc(F)cc2)c(C)c1 ZINC000035183822 172037377 /nfs/dbraw/zinc/03/73/77/172037377.db2.gz OKMYHVZBTVUDNS-UHFFFAOYSA-N 0 0 272.319 4.013 10 0 CIAERN C[C@H](Oc1cccc(F)c1)C(=O)c1cccc(Cl)c1 ZINC000035184086 172037507 /nfs/dbraw/zinc/03/75/07/172037507.db2.gz DJZDEPLPYBXAFS-JTQLQIEISA-N 0 0 278.710 4.129 10 0 CIAERN O=C(COc1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000035184258 172037846 /nfs/dbraw/zinc/03/78/46/172037846.db2.gz AJFMVBAOAJKPMM-UHFFFAOYSA-N 0 0 278.307 4.208 10 0 CIAERN C[C@@H](Oc1ccc2ccccc2c1)C(=O)c1ccccc1 ZINC000035184263 172038064 /nfs/dbraw/zinc/03/80/64/172038064.db2.gz OBAOKUIBLZUNNE-CQSZACIVSA-N 0 0 276.335 4.490 10 0 CIAERN CC[C@@H](C)c1ccc(NCc2ccoc2C(=O)OC)cc1 ZINC000035223599 172067780 /nfs/dbraw/zinc/06/77/80/172067780.db2.gz HJOGGPMUOPIOQU-GFCCVEGCSA-N 0 0 287.359 4.192 10 0 CIAERN Cc1ccc(C(=O)COc2c(C)ccc(C)c2C)cc1 ZINC000035224902 172069362 /nfs/dbraw/zinc/06/93/62/172069362.db2.gz HQKZHPNHQCQJBD-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN Cc1cc(Nc2ccc(F)cc2Br)ccc1N ZINC000035278140 172097335 /nfs/dbraw/zinc/09/73/35/172097335.db2.gz ADFTUHQZDASGOO-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN COc1cc(Cl)c(C)cc1Nc1ccc(N)c(C)c1 ZINC000035277917 172097493 /nfs/dbraw/zinc/09/74/93/172097493.db2.gz ZFPPSKWVDWSOAO-UHFFFAOYSA-N 0 0 276.767 4.291 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035283946 172102177 /nfs/dbraw/zinc/10/21/77/172102177.db2.gz XGHLVPKHVRDYEJ-SECBINFHSA-N 0 0 259.752 4.095 10 0 CIAERN Nc1ccc(Nc2cccc(Cl)c2)c2ncccc12 ZINC000035342029 172134135 /nfs/dbraw/zinc/13/41/35/172134135.db2.gz FWEPLGJLLHLVRX-UHFFFAOYSA-N 0 0 269.735 4.214 10 0 CIAERN Nc1ccc2nc(Sc3ccccc3F)ccc2c1 ZINC000035344014 172135944 /nfs/dbraw/zinc/13/59/44/172135944.db2.gz AKMLTLCFPKLGHB-UHFFFAOYSA-N 0 0 270.332 4.107 10 0 CIAERN CCCc1ccc(C(=O)c2ccc(Br)o2)cc1 ZINC000035368702 172160185 /nfs/dbraw/zinc/16/01/85/172160185.db2.gz HMFVINHHYFPLGD-UHFFFAOYSA-N 0 0 293.160 4.226 10 0 CIAERN Cc1ccc(C(=O)c2ccc3c(c2)CCCC3)s1 ZINC000035368745 172160358 /nfs/dbraw/zinc/16/03/58/172160358.db2.gz NXAKLADPDDAARM-UHFFFAOYSA-N 0 0 256.370 4.166 10 0 CIAERN Cc1cc(C)c(C(=O)c2cc3c(s2)CCC3)c(C)c1 ZINC000035368512 172160401 /nfs/dbraw/zinc/16/04/01/172160401.db2.gz XZZMHAQHMJILNM-UHFFFAOYSA-N 0 0 270.397 4.393 10 0 CIAERN CCc1ccc(C(=O)c2cc3c(s2)CCCC3)cc1 ZINC000035368824 172160464 /nfs/dbraw/zinc/16/04/64/172160464.db2.gz USLIVZFDXXXZEP-UHFFFAOYSA-N 0 0 270.397 4.420 10 0 CIAERN Cc1ccc(C(=O)c2cc3c(s2)CCCC3)cc1 ZINC000035368989 172160887 /nfs/dbraw/zinc/16/08/87/172160887.db2.gz BHKPZNGICFNIPX-UHFFFAOYSA-N 0 0 256.370 4.166 10 0 CIAERN O=C(c1ccsc1)c1c[nH]c2cc(Cl)ccc21 ZINC000035369744 172161395 /nfs/dbraw/zinc/16/13/95/172161395.db2.gz ZQEDVXHMFNLANL-UHFFFAOYSA-N 0 0 261.733 4.114 10 0 CIAERN CN[C@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035501796 172236236 /nfs/dbraw/zinc/23/62/36/172236236.db2.gz VZYGJELQWXJYDW-ZDUSSCGKSA-N 0 0 270.159 4.204 10 0 CIAERN CCN[C@H](c1ccc(CC(C)C)cc1)C(F)(F)F ZINC000035510523 172242665 /nfs/dbraw/zinc/24/26/65/172242665.db2.gz MGIONRJZFQOMAQ-CYBMUJFWSA-N 0 0 259.315 4.098 10 0 CIAERN CCN[C@@H](c1ccc([C@@H](C)CC)cc1)C(F)(F)F ZINC000035544060 172251404 /nfs/dbraw/zinc/25/14/04/172251404.db2.gz FCUHZIMEPHNWMU-GWCFXTLKSA-N 0 0 259.315 4.413 10 0 CIAERN O=C(Nc1ccc(O)cc1)c1cccc(-c2ccccc2)c1 ZINC000035552157 172259341 /nfs/dbraw/zinc/25/93/41/172259341.db2.gz RLEZHKAJGHJLLV-UHFFFAOYSA-N 0 0 289.334 4.312 10 0 CIAERN CCN[C@H](c1cc(C)sc1C)C(F)(F)C(F)(F)F ZINC000035552022 172259573 /nfs/dbraw/zinc/25/95/73/172259573.db2.gz DBNIIKMQNUFNLI-SECBINFHSA-N 0 0 287.297 4.213 10 0 CIAERN Cc1ccccc1NC(=O)c1cc2cc(F)ccc2nc1C ZINC000035554314 172260762 /nfs/dbraw/zinc/26/07/62/172260762.db2.gz XSFBKYPVLNAMJR-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN CCN[C@H](c1csc2ccccc12)C(F)(F)F ZINC000035554951 172261180 /nfs/dbraw/zinc/26/11/80/172261180.db2.gz ACCDQKBVLPNLEE-LLVKDONJSA-N 0 0 259.296 4.114 10 0 CIAERN CCCN[C@H](c1ccc(CC(C)C)cc1)C(F)(F)F ZINC000035573316 172269991 /nfs/dbraw/zinc/26/99/91/172269991.db2.gz CQMJOTLRAFYFCY-CQSZACIVSA-N 0 0 273.342 4.488 10 0 CIAERN Clc1ccc(C2=NN[C@H](c3ccccc3Cl)C2)cc1 ZINC000035576628 172273071 /nfs/dbraw/zinc/27/30/71/172273071.db2.gz GLFMHSZCDPPFAY-HNNXBMFYSA-N 0 0 291.181 4.432 10 0 CIAERN CCCN[C@@H](c1c(C)cc(C)cc1C)C(F)(F)F ZINC000035582077 172279199 /nfs/dbraw/zinc/27/91/99/172279199.db2.gz RGYWUNIALMOXRW-ZDUSSCGKSA-N 0 0 259.315 4.215 10 0 CIAERN CCCCN(CCCC)c1ccc(F)cc1[C@@H](C)O ZINC000035631552 172313935 /nfs/dbraw/zinc/31/39/35/172313935.db2.gz UMFUCRPNQCNYOH-CYBMUJFWSA-N 0 0 267.388 4.286 10 0 CIAERN Cc1cc(C)cc(Oc2ccc(F)cc2[C@H](C)O)c1 ZINC000035632255 172314736 /nfs/dbraw/zinc/31/47/36/172314736.db2.gz BJFGRZUXGGVTLU-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN C[C@H](O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000035632298 172314771 /nfs/dbraw/zinc/31/47/71/172314771.db2.gz RDWCDMATEVUKHU-JTQLQIEISA-N 0 0 293.160 4.295 10 0 CIAERN Cc1cc(Cl)ccc1OCc1cccc(N)c1C ZINC000035649379 172325610 /nfs/dbraw/zinc/32/56/10/172325610.db2.gz DQVPPZFUKDVGNM-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN OCCCCOc1ccc(-c2ccccc2)cc1Cl ZINC000035650218 172325930 /nfs/dbraw/zinc/32/59/30/172325930.db2.gz ADCFZLUHCUXQOT-UHFFFAOYSA-N 0 0 276.763 4.158 10 0 CIAERN CCc1cc(OCc2cccc(N)c2C)ccc1Cl ZINC000035649500 172326192 /nfs/dbraw/zinc/32/61/92/172326192.db2.gz PEGWCMLJPZIKOA-UHFFFAOYSA-N 0 0 275.779 4.372 10 0 CIAERN Cc1cc(C)c(C)c(Oc2ccccc2[C@H](C)O)c1 ZINC000035650732 172326595 /nfs/dbraw/zinc/32/65/95/172326595.db2.gz FBZYUIQMMODZDW-AWEZNQCLSA-N 0 0 256.345 4.457 10 0 CIAERN C[C@@H](O)c1ccccc1Oc1ccccc1Br ZINC000035650592 172326825 /nfs/dbraw/zinc/32/68/25/172326825.db2.gz WCUAKHFMOAOCPM-SNVBAGLBSA-N 0 0 293.160 4.295 10 0 CIAERN Brc1ccc(NC2Cc3ccccc3C2)cc1 ZINC000035657914 172332587 /nfs/dbraw/zinc/33/25/87/172332587.db2.gz HFHWBELYCXWPTP-UHFFFAOYSA-N 0 0 288.188 4.028 10 0 CIAERN CCCc1ccc(NC2Cc3ccccc3C2)cc1 ZINC000035658032 172333239 /nfs/dbraw/zinc/33/32/39/172333239.db2.gz IJTZJJSSGFKKRU-UHFFFAOYSA-N 0 0 251.373 4.218 10 0 CIAERN CCCCCCOc1c(Cl)cc(Cl)cc1CO ZINC000035662693 172341257 /nfs/dbraw/zinc/34/12/57/172341257.db2.gz OSRYKPSDIQXPKR-UHFFFAOYSA-N 0 0 277.191 4.445 10 0 CIAERN Nc1ccc(Sc2cc(F)ccc2F)c(Cl)c1 ZINC000035676195 172346740 /nfs/dbraw/zinc/34/67/40/172346740.db2.gz YXOKWFAOYCPGKL-UHFFFAOYSA-N 0 0 271.719 4.352 10 0 CIAERN Nc1cccc(Cl)c1Sc1cc(F)ccc1F ZINC000035676193 172346840 /nfs/dbraw/zinc/34/68/40/172346840.db2.gz PJHPQKJFZVLUIF-UHFFFAOYSA-N 0 0 271.719 4.352 10 0 CIAERN Cc1cc(Sc2cc(F)ccc2F)ccc1N ZINC000035676173 172346848 /nfs/dbraw/zinc/34/68/48/172346848.db2.gz LWSPGBXHHAVMFK-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000035736769 172389867 /nfs/dbraw/zinc/38/98/67/172389867.db2.gz FWBRWAKMFGECPX-MRVPVSSYSA-N 0 0 252.770 4.157 10 0 CIAERN C[C@@H](Nc1ccc2scnc2c1N)c1cccs1 ZINC000035736697 172389911 /nfs/dbraw/zinc/38/99/11/172389911.db2.gz SKAVXSXMGPOTJA-MRVPVSSYSA-N 0 0 275.402 4.113 10 0 CIAERN COc1cccc2cc([C@@H](C)N[C@H](C)c3ccco3)oc21 ZINC000035738562 172391606 /nfs/dbraw/zinc/39/16/06/172391606.db2.gz XTTPTQMTUNKRDT-VXGBXAGGSA-N 0 0 285.343 4.446 10 0 CIAERN C[C@@H](Nc1nc2cc(F)ccc2s1)c1ccco1 ZINC000035739635 172393911 /nfs/dbraw/zinc/39/39/11/172393911.db2.gz WRHOBNCRLNACIG-MRVPVSSYSA-N 0 0 262.309 4.202 10 0 CIAERN C[C@@H](c1ccco1)n1c(-c2ccccc2)c[nH]c1=S ZINC000035739746 172394067 /nfs/dbraw/zinc/39/40/67/172394067.db2.gz LQSWRCSWLUYTGH-NSHDSACASA-N 0 0 270.357 4.415 10 0 CIAERN Cc1ccc2sc(N[C@H](C)c3ccco3)nc2c1 ZINC000035739637 172394372 /nfs/dbraw/zinc/39/43/72/172394372.db2.gz RHJANOKJIAACTL-SNVBAGLBSA-N 0 0 258.346 4.371 10 0 CIAERN CCCC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035766710 172408230 /nfs/dbraw/zinc/40/82/30/172408230.db2.gz SHXJMZUWAFJGRQ-UHFFFAOYSA-N 0 0 289.350 4.056 10 0 CIAERN CC(C)CN(CC(C)C)c1c(N)cccc1Cl ZINC000036197598 172509470 /nfs/dbraw/zinc/50/94/70/172509470.db2.gz KWVAQGXRQHACSQ-UHFFFAOYSA-N 0 0 254.805 4.041 10 0 CIAERN Cc1ccc(Nc2nc(Cl)nc3sccc32)cc1 ZINC000036277463 172568580 /nfs/dbraw/zinc/56/85/80/172568580.db2.gz YYTPJLVBCIHNME-UHFFFAOYSA-N 0 0 275.764 4.397 10 0 CIAERN Cc1ccc(Cl)c(OCc2ccc(Cl)c(N)c2)c1 ZINC000036669573 172647403 /nfs/dbraw/zinc/64/74/03/172647403.db2.gz KBECBJKFIGNQSC-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN COc1ccc(C(=O)c2ccc(C)c(F)c2)c(Cl)c1 ZINC000036767385 172685429 /nfs/dbraw/zinc/68/54/29/172685429.db2.gz BRKWIYWWBZUGEL-UHFFFAOYSA-N 0 0 278.710 4.027 10 0 CIAERN Cc1ccccc1C1CC(Nc2ccc(F)cc2)C1 ZINC000036842367 172745588 /nfs/dbraw/zinc/74/55/88/172745588.db2.gz XPBFYPVNKPUZOI-UHFFFAOYSA-N 0 0 255.336 4.492 10 0 CIAERN COC(=O)c1cc(NCc2sccc2C)ccc1Cl ZINC000036918897 172804037 /nfs/dbraw/zinc/80/40/37/172804037.db2.gz SXIQUGLOMLUFQH-UHFFFAOYSA-N 0 0 295.791 4.109 10 0 CIAERN CC(C)(C)c1ccc(Nc2ccc(Cl)nn2)cc1 ZINC000036923483 172806141 /nfs/dbraw/zinc/80/61/41/172806141.db2.gz OPHITCSLDKBMPY-UHFFFAOYSA-N 0 0 261.756 4.171 10 0 CIAERN COc1ccc(CSc2ccc(Cl)cc2N)cc1F ZINC000036928409 172810813 /nfs/dbraw/zinc/81/08/13/172810813.db2.gz ZSHUHUQMGFLKNA-UHFFFAOYSA-N 0 0 297.782 4.362 10 0 CIAERN O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000036941678 172817835 /nfs/dbraw/zinc/81/78/35/172817835.db2.gz UGJVASMNWWRURV-UHFFFAOYSA-N 0 0 269.102 4.364 10 0 CIAERN CCc1cc(Oc2ccccc2C(N)=S)ccc1Cl ZINC000037024284 172888217 /nfs/dbraw/zinc/88/82/17/172888217.db2.gz TWMZNLPAOFMNHN-UHFFFAOYSA-N 0 0 291.803 4.329 10 0 CIAERN Nc1ccc(OCc2c(Cl)cccc2Cl)c(F)c1 ZINC000037064783 172927937 /nfs/dbraw/zinc/92/79/37/172927937.db2.gz WDLWTDIZTYSYAQ-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN Cc1cc(CNc2ccc(Cl)c(F)c2)cc(C)c1O ZINC000037070276 172931476 /nfs/dbraw/zinc/93/14/76/172931476.db2.gz SRVPYBZAGJVHBE-UHFFFAOYSA-N 0 0 279.742 4.414 10 0 CIAERN Nc1ccc(SCc2c(Cl)cccc2Cl)cn1 ZINC000037192505 173021750 /nfs/dbraw/zinc/02/17/50/173021750.db2.gz GHWVHVZPYDGAPL-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN Nc1ccc(SCc2ccc(Cl)cc2Cl)cn1 ZINC000037192656 173021893 /nfs/dbraw/zinc/02/18/93/173021893.db2.gz GOKOQPAXBARAGV-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN CC(C)(C)c1ccc(CSc2ccc(N)nc2)cc1 ZINC000037192449 173022315 /nfs/dbraw/zinc/02/23/15/173022315.db2.gz BGLUUTVVQCXGPD-UHFFFAOYSA-N 0 0 272.417 4.254 10 0 CIAERN Nc1ccc(SCc2ccc(Cl)cc2)c(F)c1 ZINC000037194596 173023960 /nfs/dbraw/zinc/02/39/60/173023960.db2.gz DCVPTFRNEHUVDS-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN Nc1cccc(Cl)c1SCc1ccccc1F ZINC000037204356 173026839 /nfs/dbraw/zinc/02/68/39/173026839.db2.gz IEKORAAFDICLCV-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN Fc1ccc2sc(NCCc3ccccc3)nc2c1 ZINC000037206575 173027467 /nfs/dbraw/zinc/02/74/67/173027467.db2.gz VOLXGMHGMFOHQG-UHFFFAOYSA-N 0 0 272.348 4.090 10 0 CIAERN COc1ccc(-c2nc3cccc(Cl)c3s2)c(O)c1 ZINC000037206108 173027694 /nfs/dbraw/zinc/02/76/94/173027694.db2.gz WCZOPDXKWGJSSS-UHFFFAOYSA-N 0 0 291.759 4.331 10 0 CIAERN CCOc1ccc(Br)cc1C(=O)C1CCCC1 ZINC000037225926 173045614 /nfs/dbraw/zinc/04/56/14/173045614.db2.gz QJVANKUHXKPKLF-UHFFFAOYSA-N 0 0 297.192 4.221 10 0 CIAERN C[C@H]1CCC[C@H](Nc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254853 173066043 /nfs/dbraw/zinc/06/60/43/173066043.db2.gz IOARMVVOVAVCNJ-UWVGGRQHSA-N 0 0 272.314 4.278 10 0 CIAERN COC(=O)CCCNc1c(Cl)cc(Cl)cc1Cl ZINC000037286646 173092990 /nfs/dbraw/zinc/09/29/90/173092990.db2.gz GYHOTQCZITVQMU-UHFFFAOYSA-N 0 0 296.581 4.012 10 0 CIAERN COc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1F ZINC000037290286 173095767 /nfs/dbraw/zinc/09/57/67/173095767.db2.gz ZGFRBEOVJKDJEZ-DGCLKSJQSA-N 0 0 265.372 4.461 10 0 CIAERN Fc1cc(N[C@@H]2CCc3ccccc3C2)ccc1Cl ZINC000037300979 173106508 /nfs/dbraw/zinc/10/65/08/173106508.db2.gz QOXGMIANHYLLOF-CYBMUJFWSA-N 0 0 275.754 4.449 10 0 CIAERN C[C@H](CC(=O)Nc1ccc(Cl)c(N)c1)CC(C)(C)C ZINC000037306841 173110253 /nfs/dbraw/zinc/11/02/53/173110253.db2.gz WGFPVMASVYOEJW-SNVBAGLBSA-N 0 0 282.815 4.323 10 0 CIAERN CCCC[C@@H](C)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000037315504 173116616 /nfs/dbraw/zinc/11/66/16/173116616.db2.gz GELWUDYQAPITME-LLVKDONJSA-N 0 0 282.815 4.032 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccccc1OC(F)F ZINC000037328050 173128560 /nfs/dbraw/zinc/12/85/60/173128560.db2.gz KSSQHJNDQCLBLO-UHFFFAOYSA-N 0 0 284.693 4.267 10 0 CIAERN C[C@H](C(=O)c1ccc(Cl)s1)n1cnc2ccccc21 ZINC000037340759 173142067 /nfs/dbraw/zinc/14/20/67/173142067.db2.gz AQKDNMOBAFVOIT-SECBINFHSA-N 0 0 290.775 4.195 10 0 CIAERN CC(C)(C)c1ccccc1OCC(=O)c1cccs1 ZINC000037347157 173143730 /nfs/dbraw/zinc/14/37/30/173143730.db2.gz VENOQFAAMOCRIV-UHFFFAOYSA-N 0 0 274.385 4.307 10 0 CIAERN CCC(CC)c1[nH]nc(N)c1-c1c(F)cccc1Cl ZINC000037348465 173144210 /nfs/dbraw/zinc/14/42/10/173144210.db2.gz GNFALDVMTOADJX-UHFFFAOYSA-N 0 0 281.762 4.355 10 0 CIAERN C[C@@H](CC(=O)c1ccc2c(c1)CCO2)CC(C)(C)C ZINC000037358616 173148335 /nfs/dbraw/zinc/14/83/35/173148335.db2.gz AVTNPIKNBQHXRM-LBPRGKRZSA-N 0 0 260.377 4.267 10 0 CIAERN Cc1[nH]c2ccccc2c1C(=O)Cc1ccc(F)cc1 ZINC000037361188 173151020 /nfs/dbraw/zinc/15/10/20/173151020.db2.gz JBZSFVWSKDCBOR-UHFFFAOYSA-N 0 0 267.303 4.041 10 0 CIAERN CC(C)Oc1ccc(C(=O)c2cccc(Cl)c2)cc1 ZINC000037362286 173151712 /nfs/dbraw/zinc/15/17/12/173151712.db2.gz YSEZBPAWYGFNKN-UHFFFAOYSA-N 0 0 274.747 4.358 10 0 CIAERN O=C(c1csc2ccccc12)c1c(F)cccc1F ZINC000037363324 173152196 /nfs/dbraw/zinc/15/21/96/173152196.db2.gz ADBSPBGYHVGADV-UHFFFAOYSA-N 0 0 274.291 4.411 10 0 CIAERN O=C(CC1CCCCC1)c1c[nH]c2cc(F)ccc12 ZINC000037368005 173157337 /nfs/dbraw/zinc/15/73/37/173157337.db2.gz DPKDBYIOIOOXMJ-UHFFFAOYSA-N 0 0 259.324 4.460 10 0 CIAERN CC(=O)c1ccc(Sc2ccc(F)c(F)c2)c(F)c1 ZINC000037375016 173164424 /nfs/dbraw/zinc/16/44/24/173164424.db2.gz DWICHLZKXHWGMV-UHFFFAOYSA-N 0 0 282.286 4.458 10 0 CIAERN O[C@]1(c2ccccc2)CCCC[C@H]1c1ccccc1 ZINC000037376024 173165492 /nfs/dbraw/zinc/16/54/92/173165492.db2.gz SAMXWYOMFYONOY-ROUUACIJSA-N 0 0 252.357 4.232 10 0 CIAERN Clc1ccc(NCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000037394883 173175031 /nfs/dbraw/zinc/17/50/31/173175031.db2.gz BGAVDJUDWBBLDB-UHFFFAOYSA-N 0 0 292.169 4.482 10 0 CIAERN Cc1ccc(Nc2ccc(F)cc2Br)c(N)c1 ZINC000037401450 173178291 /nfs/dbraw/zinc/17/82/91/173178291.db2.gz HXFZSOYVLGINFJ-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Cc1ccc(Nc2ccc(F)cc2Cl)c(N)c1 ZINC000037401460 173178437 /nfs/dbraw/zinc/17/84/37/173178437.db2.gz KWRFTMMNCZWPJW-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN COc1ccc(SCc2ccc(Cl)c(N)c2)cc1 ZINC000037402934 173179272 /nfs/dbraw/zinc/17/92/72/173179272.db2.gz RZZRTOOGQNPITL-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc(CC)cc2)n1 ZINC000037409202 173185748 /nfs/dbraw/zinc/18/57/48/173185748.db2.gz KUCOSOVMOHFKKU-UHFFFAOYSA-N 0 0 260.768 4.312 10 0 CIAERN Cc1ccc(-n2c3cccc(F)c3[nH]c2=S)cc1 ZINC000037422721 173198707 /nfs/dbraw/zinc/19/87/07/173198707.db2.gz GJIDCUKGLNPZAT-UHFFFAOYSA-N 0 0 258.321 4.136 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)Cc1ccccc1F ZINC000037529857 173252891 /nfs/dbraw/zinc/25/28/91/173252891.db2.gz PKZPACQMOILPAM-FRFSOERESA-N 0 0 264.384 4.192 10 0 CIAERN O=C(Cc1ccc(Br)cc1)c1cccc(F)c1 ZINC000037531859 173253600 /nfs/dbraw/zinc/25/36/00/173253600.db2.gz WYZHQGWUXGEKJP-UHFFFAOYSA-N 0 0 293.135 4.014 10 0 CIAERN O[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000037532339 173253840 /nfs/dbraw/zinc/25/38/40/173253840.db2.gz NHGVTEWKSYCZAR-CQSZACIVSA-N 0 0 267.155 4.270 10 0 CIAERN CCc1ccc([C@@H](O)Cc2ccccc2Cl)cc1 ZINC000037532641 173254030 /nfs/dbraw/zinc/25/40/30/173254030.db2.gz ODAGSSRBDUOZBN-INIZCTEOSA-N 0 0 260.764 4.179 10 0 CIAERN Cc1ccccc1C[C@@H](O)c1cccc(Br)c1 ZINC000037532702 173254049 /nfs/dbraw/zinc/25/40/49/173254049.db2.gz BFAIJYMXBPJEAL-OAHLLOKOSA-N 0 0 291.188 4.034 10 0 CIAERN c1csc(-c2ccc(NC(C3CC3)C3CC3)cc2)n1 ZINC000037765037 173692698 /nfs/dbraw/zinc/69/26/98/173692698.db2.gz KWJAPBVDDFCRRO-UHFFFAOYSA-N 0 0 270.401 4.411 10 0 CIAERN CCCn1cc(N[C@@H](C)c2ccc(Cl)s2)ccc1=O ZINC000037774846 173707124 /nfs/dbraw/zinc/70/71/24/173707124.db2.gz PGEFFBJHIQBAII-JTQLQIEISA-N 0 0 296.823 4.146 10 0 CIAERN CCCOc1ccc(NCCCSC)cc1Cl ZINC000037780809 173710980 /nfs/dbraw/zinc/71/09/80/173710980.db2.gz UBRFFFZGCGNQOC-UHFFFAOYSA-N 0 0 273.829 4.294 10 0 CIAERN CCOc1ccc(N[C@H](C)c2scnc2C)c(C)c1 ZINC000037781850 173712645 /nfs/dbraw/zinc/71/26/45/173712645.db2.gz YEPJSAOFBXWTDJ-GFCCVEGCSA-N 0 0 276.405 4.332 10 0 CIAERN Cc1ncc(CNc2c3ncsc3ccc2Cl)s1 ZINC000037797211 173731752 /nfs/dbraw/zinc/73/17/52/173731752.db2.gz WNKYJAIZFJHCIK-UHFFFAOYSA-N 0 0 295.820 4.327 10 0 CIAERN C[C@H](Nc1ccccc1SC(F)(F)F)c1cc[nH]n1 ZINC000037907265 173840096 /nfs/dbraw/zinc/84/00/96/173840096.db2.gz OQWKSKYKGHAERZ-QMMMGPOBSA-N 0 0 287.310 4.195 10 0 CIAERN C[C@H](Nc1ccc(SC(F)(F)F)cc1)c1cc[nH]n1 ZINC000037907773 173840534 /nfs/dbraw/zinc/84/05/34/173840534.db2.gz OMIURAABRRBRQY-QMMMGPOBSA-N 0 0 287.310 4.195 10 0 CIAERN CCc1ccc([C@H](C)Nc2ncnc3sccc32)cc1 ZINC000037975280 173929593 /nfs/dbraw/zinc/92/95/93/173929593.db2.gz NNTHJPLUNMEXQY-NSHDSACASA-N 0 0 283.400 4.427 10 0 CIAERN CCc1ccc([C@H](C)Nc2ncnc3ccsc32)cc1 ZINC000037979404 173937947 /nfs/dbraw/zinc/93/79/47/173937947.db2.gz SQXQNRIWVNCCEM-NSHDSACASA-N 0 0 283.400 4.427 10 0 CIAERN C[C@@H](Nc1ccc(O)cc1)c1ccc(Br)s1 ZINC000038003162 173965542 /nfs/dbraw/zinc/96/55/42/173965542.db2.gz PVDFZCBIJILMIX-MRVPVSSYSA-N 0 0 298.205 4.389 10 0 CIAERN COc1ncccc1NCc1cc(-c2ccccc2)cs1 ZINC000038030827 174023252 /nfs/dbraw/zinc/02/32/52/174023252.db2.gz UXADIILLIUCJSN-UHFFFAOYSA-N 0 0 296.395 4.431 10 0 CIAERN CCCOc1cccc(CNc2cc(F)cc(F)c2)c1 ZINC000038038258 174038206 /nfs/dbraw/zinc/03/82/06/174038206.db2.gz PZBUMEOYULQPPH-UHFFFAOYSA-N 0 0 277.314 4.366 10 0 CIAERN Cc1ccc(Nc2c(F)cc(N)cc2F)cc1Cl ZINC000038039948 174039557 /nfs/dbraw/zinc/03/95/57/174039557.db2.gz YUSLSDHMWAKHMO-UHFFFAOYSA-N 0 0 268.694 4.252 10 0 CIAERN Nc1cc(F)c(Oc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000038040334 174040260 /nfs/dbraw/zinc/04/02/60/174040260.db2.gz YSHVEPPYJJKEKI-UHFFFAOYSA-N 0 0 289.203 4.358 10 0 CIAERN Nc1cc(F)c(Nc2ccc(F)cc2Cl)c(F)c1 ZINC000038040036 174040439 /nfs/dbraw/zinc/04/04/39/174040439.db2.gz BTSACCYTMVSTDN-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN Nc1cccc(OCc2csc(-c3ccsc3)n2)c1 ZINC000038054992 174066502 /nfs/dbraw/zinc/06/65/02/174066502.db2.gz DLMOSHPQUIGCNI-UHFFFAOYSA-N 0 0 288.397 4.033 10 0 CIAERN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(F)cc2)s1 ZINC000038057419 174068129 /nfs/dbraw/zinc/06/81/29/174068129.db2.gz AXOIRTNRIKLYIR-LLVKDONJSA-N 0 0 277.364 4.029 10 0 CIAERN CNc1ccc(OCc2cccc(Br)c2)cc1 ZINC000038056995 174068242 /nfs/dbraw/zinc/06/82/42/174068242.db2.gz SFPBMVALNMLUKZ-UHFFFAOYSA-N 0 0 292.176 4.070 10 0 CIAERN Nc1ccc(-c2ccc(SC(F)F)cc2)cc1 ZINC000038069075 174080501 /nfs/dbraw/zinc/08/05/01/174080501.db2.gz ICGRIAROZGRCEY-UHFFFAOYSA-N 0 0 251.301 4.251 10 0 CIAERN Cc1cc(N)ccc1-c1ccc(OC(F)(F)F)cc1 ZINC000038069252 174081002 /nfs/dbraw/zinc/08/10/02/174081002.db2.gz KTWRDGGGEGXLMW-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN O=Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000038069662 174081057 /nfs/dbraw/zinc/08/10/57/174081057.db2.gz FXZRJSNPRWVFQX-UHFFFAOYSA-N 0 0 268.209 4.324 10 0 CIAERN CCC(=O)c1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038071963 174082485 /nfs/dbraw/zinc/08/24/85/174082485.db2.gz YEOHBKNWUYEXPB-UHFFFAOYSA-N 0 0 258.292 4.094 10 0 CIAERN CCC(=O)c1cccc(-c2cc(F)ccc2OC)c1 ZINC000038071908 174082792 /nfs/dbraw/zinc/08/27/92/174082792.db2.gz QQOONLBGELSZEX-UHFFFAOYSA-N 0 0 258.292 4.094 10 0 CIAERN Cc1cc(C)cc(C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000038077215 174087619 /nfs/dbraw/zinc/08/76/19/174087619.db2.gz NKLJSFSBLVZRLF-MRXNPFEDSA-N 0 0 260.764 4.233 10 0 CIAERN O[C@]1(c2ccccc2Cl)CCCCc2ccccc21 ZINC000038078268 174087978 /nfs/dbraw/zinc/08/79/78/174087978.db2.gz JYPOGMIYYYAMSX-QGZVFWFLSA-N 0 0 272.775 4.302 10 0 CIAERN O[C@@H](c1ccc(F)cc1)c1cccc2ccccc21 ZINC000038777404 174154824 /nfs/dbraw/zinc/15/48/24/174154824.db2.gz YXOYRHMRZRODDL-KRWDZBQOSA-N 0 0 252.288 4.061 10 0 CIAERN Clc1nccc2c(OCc3ccccc3)cccc12 ZINC000038877760 174158657 /nfs/dbraw/zinc/15/86/57/174158657.db2.gz SLOFZIVPVZYMKC-UHFFFAOYSA-N 0 0 269.731 4.467 10 0 CIAERN CCCc1nc2cc(-c3nc4ccccc4n3C)ccc2[nH]1 ZINC000038922765 174159763 /nfs/dbraw/zinc/15/97/63/174159763.db2.gz PBNBFSURMQVUNX-UHFFFAOYSA-N 0 0 290.370 4.069 10 0 CIAERN C/C(=C1/N=C(c2ccccc2)OC1=O)c1ccc(Cl)cc1 ZINC000039193335 174164854 /nfs/dbraw/zinc/16/48/54/174164854.db2.gz HOYSOWCSWCVEML-PTNGSMBKSA-N 0 0 297.741 4.075 10 0 CIAERN c1sc(Cc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000039201077 174165614 /nfs/dbraw/zinc/16/56/14/174165614.db2.gz SVQKAMAQGOAEDD-UHFFFAOYSA-N 0 0 291.379 4.277 10 0 CIAERN CCOC(=O)CCCc1ccc(OCc2ccccc2)cc1 ZINC000039220522 174166409 /nfs/dbraw/zinc/16/64/09/174166409.db2.gz ALTBQAVUXNXHFN-UHFFFAOYSA-N 0 0 298.382 4.151 10 0 CIAERN CC(=O)Nc1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963738 174179497 /nfs/dbraw/zinc/17/94/97/174179497.db2.gz RLDNLRYEKGULEH-UHFFFAOYSA-N 0 0 295.317 4.076 10 0 CIAERN Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000039964927 174179878 /nfs/dbraw/zinc/17/98/78/174179878.db2.gz BZZOPZVSATZUNJ-UHFFFAOYSA-N 0 0 260.749 4.199 10 0 CIAERN COc1ccc(C(Cl)=C(Cl)Cl)cc1OC ZINC000040176353 174201483 /nfs/dbraw/zinc/20/14/83/174201483.db2.gz LZHVFYHGNXCWSW-UHFFFAOYSA-N 0 0 267.539 4.046 10 0 CIAERN CCCCNC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000040179201 174202841 /nfs/dbraw/zinc/20/28/41/174202841.db2.gz FCMYCVCLBJERFK-UHFFFAOYSA-N 0 0 299.370 4.017 10 0 CIAERN Cc1ccc(Oc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000040179050 174203140 /nfs/dbraw/zinc/20/31/40/174203140.db2.gz BTGSIZNAWOBWLV-UHFFFAOYSA-N 0 0 295.382 4.460 10 0 CIAERN CCc1ccc(OCCCn2cnc3ccccc32)cc1 ZINC000040223962 174207704 /nfs/dbraw/zinc/20/77/04/174207704.db2.gz OJDWFFZHORSBGX-UHFFFAOYSA-N 0 0 280.371 4.068 10 0 CIAERN Cc1nc2ccccc2n1CCCOc1cccc(C)c1C ZINC000040224666 174208078 /nfs/dbraw/zinc/20/80/78/174208078.db2.gz YBYLSNNCLJMMIB-UHFFFAOYSA-N 0 0 294.398 4.431 10 0 CIAERN Cc1nc2ccccc2n1CCCOc1cc(C)ccc1C ZINC000040224672 174208206 /nfs/dbraw/zinc/20/82/06/174208206.db2.gz VTLZNMVZHHXPJH-UHFFFAOYSA-N 0 0 294.398 4.431 10 0 CIAERN CCc1nc2ccccc2n1CCCCOc1ccccc1 ZINC000040227431 174208429 /nfs/dbraw/zinc/20/84/29/174208429.db2.gz YRUAWUDGSLUCOB-UHFFFAOYSA-N 0 0 294.398 4.458 10 0 CIAERN CCc1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000040227344 174208580 /nfs/dbraw/zinc/20/85/80/174208580.db2.gz MTLOPEFEAHZXEM-UHFFFAOYSA-N 0 0 294.398 4.295 10 0 CIAERN CCc1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000040227345 174208728 /nfs/dbraw/zinc/20/87/28/174208728.db2.gz LPYUQHXDVHZHAW-UHFFFAOYSA-N 0 0 294.398 4.295 10 0 CIAERN CCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040227338 174208951 /nfs/dbraw/zinc/20/89/51/174208951.db2.gz JONUUNADGZSIGZ-UHFFFAOYSA-N 0 0 264.372 4.232 10 0 CIAERN CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000040231203 174209944 /nfs/dbraw/zinc/20/99/44/174209944.db2.gz FYTZDBXCNSHPJA-UHFFFAOYSA-N 0 0 298.773 4.135 10 0 CIAERN CC(C)(C)c1nc2ccccc2n1CC(=O)c1ccccc1 ZINC000040239325 174211819 /nfs/dbraw/zinc/21/18/19/174211819.db2.gz SSOXEZUVYYOXHL-UHFFFAOYSA-N 0 0 292.382 4.217 10 0 CIAERN CCOc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040244469 174214306 /nfs/dbraw/zinc/21/43/06/174214306.db2.gz SJJJTXKMMIACFW-HNNXBMFYSA-N 0 0 297.181 4.474 10 0 CIAERN COc1ccc([C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040244101 174214347 /nfs/dbraw/zinc/21/43/47/174214347.db2.gz FFGLSHWBBKCCQJ-AWEZNQCLSA-N 0 0 283.154 4.084 10 0 CIAERN CCOc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040244458 174214466 /nfs/dbraw/zinc/21/44/66/174214466.db2.gz AKJJIDVUPOMERL-OAHLLOKOSA-N 0 0 297.181 4.474 10 0 CIAERN CC[C@@H](C)c1ccc([C@@H](O)c2ccccc2F)cc1 ZINC000040246678 174215012 /nfs/dbraw/zinc/21/50/12/174215012.db2.gz ARBWWPMZORCRKQ-SJKOYZFVSA-N 0 0 258.336 4.421 10 0 CIAERN CCCCC[C@@H](O)c1ccc(OCC)c(OCC)c1 ZINC000040248216 174215498 /nfs/dbraw/zinc/21/54/98/174215498.db2.gz ASBXEZAHLFVQKH-CQSZACIVSA-N 0 0 266.381 4.098 10 0 CIAERN CCC(C)(C)c1ccc([C@@H](O)COc2ccccc2N)cc1 ZINC000040352253 174245168 /nfs/dbraw/zinc/24/51/68/174245168.db2.gz OMSQLWCWBXMJRM-KRWDZBQOSA-N 0 0 299.414 4.069 10 0 CIAERN Cc1cc(Cl)cn2cc(-c3ccc(F)cc3)nc12 ZINC000040383798 174251524 /nfs/dbraw/zinc/25/15/24/174251524.db2.gz VYYKMOURFGAOIT-UHFFFAOYSA-N 0 0 260.699 4.102 10 0 CIAERN Oc1ccc(-c2cc(-c3cccc(O)c3)cs2)cc1 ZINC000040393334 174252110 /nfs/dbraw/zinc/25/21/10/174252110.db2.gz JECPEAXUEYTRPA-UHFFFAOYSA-N 0 0 268.337 4.493 10 0 in-vivo CIAERN CCOCCCn1c2ccccc2nc1-c1ccccc1C ZINC000040389512 174252291 /nfs/dbraw/zinc/25/22/91/174252291.db2.gz QHXJXJJKVXMGBU-UHFFFAOYSA-N 0 0 294.398 4.438 10 0 CIAERN COCCCn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040402801 174253737 /nfs/dbraw/zinc/25/37/37/174253737.db2.gz LHZHWDZTTMFFJT-UHFFFAOYSA-N 0 0 280.799 4.024 10 0 CIAERN Clc1ccc2nc(C3CC3)n(Cc3ccco3)c2c1 ZINC000040409852 174254428 /nfs/dbraw/zinc/25/44/28/174254428.db2.gz UOKUFGLYCJBNNG-UHFFFAOYSA-N 0 0 272.735 4.208 10 0 CIAERN Cn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040410301 174254538 /nfs/dbraw/zinc/25/45/38/174254538.db2.gz HWTWFUVSPNUXPC-UHFFFAOYSA-N 0 0 282.290 4.321 10 0 CIAERN CC(C)c1nc2cc(Cl)ccc2n1Cc1ccco1 ZINC000040409799 174254621 /nfs/dbraw/zinc/25/46/21/174254621.db2.gz TUTHEGCHSOKTFR-UHFFFAOYSA-N 0 0 274.751 4.454 10 0 CIAERN CC(C)Cn1c2ccc(Cl)cc2nc1C(C)C ZINC000040417658 174255847 /nfs/dbraw/zinc/25/58/47/174255847.db2.gz BTQOVKDSDUFLNI-UHFFFAOYSA-N 0 0 250.773 4.469 10 0 CIAERN Clc1cc(Oc2ccc(Cl)c(Cl)c2)ncn1 ZINC000040422364 174257837 /nfs/dbraw/zinc/25/78/37/174257837.db2.gz NAICKMPKBRBVPM-UHFFFAOYSA-N 0 0 275.522 4.229 10 0 CIAERN Clc1ccc(Oc2cc(Cl)ncn2)c(Cl)c1 ZINC000040431927 174260466 /nfs/dbraw/zinc/26/04/66/174260466.db2.gz NSCJTDRXKMUXMQ-UHFFFAOYSA-N 0 0 275.522 4.229 10 0 CIAERN CCOC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000040537923 174321168 /nfs/dbraw/zinc/32/11/68/174321168.db2.gz JNVWDSKZKCWXBU-VQHVLOKHSA-N 0 0 276.719 4.176 10 0 CIAERN CCCCC(=O)NC(=S)Nc1ccc(CCCC)cc1 ZINC000040898093 174429272 /nfs/dbraw/zinc/42/92/72/174429272.db2.gz GFIQBQZTCKMYBK-UHFFFAOYSA-N 0 0 292.448 4.032 10 0 CIAERN Cc1c(-c2ccc(C)cc2)nc2sc(C(C)C)nn12 ZINC000040963586 174440541 /nfs/dbraw/zinc/44/05/41/174440541.db2.gz ZZECVICHHXBLOI-UHFFFAOYSA-N 0 0 271.389 4.198 10 0 CIAERN CCCc1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1 ZINC000040964879 174441079 /nfs/dbraw/zinc/44/10/79/174441079.db2.gz PTIDHWCPAZZFRV-UHFFFAOYSA-N 0 0 285.416 4.336 10 0 CIAERN CCOc1ccc(-c2cn3c(C)c(C)sc3n2)cc1 ZINC000041005800 174448541 /nfs/dbraw/zinc/44/85/41/174448541.db2.gz PGFSKVHRZRCTRG-UHFFFAOYSA-N 0 0 272.373 4.078 10 0 CIAERN FC(F)(F)c1ccccc1-c1ccc(Cl)nc1 ZINC000041328656 174525072 /nfs/dbraw/zinc/52/50/72/174525072.db2.gz NVYBYGJNVAFXTB-UHFFFAOYSA-N 0 0 257.642 4.421 10 0 CIAERN Cc1cc(C)c(COc2cccc([C@H](C)O)c2)c(C)c1 ZINC000041392106 174545347 /nfs/dbraw/zinc/54/53/47/174545347.db2.gz UDWYFZIHGPPJGN-HNNXBMFYSA-N 0 0 270.372 4.244 10 0 CIAERN Cc1ccccc1C[C@H](CO)Cc1ccccc1Cl ZINC000041412282 174549154 /nfs/dbraw/zinc/54/91/54/174549154.db2.gz JVTZSDBCZOWWLA-AWEZNQCLSA-N 0 0 274.791 4.042 10 0 CIAERN OCC(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000041484698 174561217 /nfs/dbraw/zinc/56/12/17/174561217.db2.gz BGRHOWCSSWHYBR-UHFFFAOYSA-N 0 0 295.209 4.387 10 0 CIAERN COc1ccc2c(c1)c(C=O)cn2Cc1ccc(Cl)cc1 ZINC000041506995 174563138 /nfs/dbraw/zinc/56/31/38/174563138.db2.gz ZKUIJXOMNFWPOS-UHFFFAOYSA-N 0 0 299.757 4.164 10 0 CIAERN Cc1cc2nc(C(C)C)oc2c(Br)c1 ZINC000041569097 174568113 /nfs/dbraw/zinc/56/81/13/174568113.db2.gz JYLAWYZRIIFXMZ-UHFFFAOYSA-N 0 0 254.127 4.022 10 0 CIAERN COc1ccc(Sc2ccc(Br)cn2)cc1 ZINC000042389331 174705589 /nfs/dbraw/zinc/70/55/89/174705589.db2.gz LJWXFPUQTDKBEI-UHFFFAOYSA-N 0 0 296.189 4.004 10 0 CIAERN Cc1ccsc1[C@@H](O)c1cc2c(s1)CCCC2 ZINC000042731146 174859197 /nfs/dbraw/zinc/85/91/97/174859197.db2.gz GJFUIBYEBMXDNW-ZDUSSCGKSA-N 0 0 264.415 4.079 10 0 CIAERN Cc1nc2cc(N(C)[C@@H](C)C(C)(C)C)c(N)cc2s1 ZINC000042739595 174861131 /nfs/dbraw/zinc/86/11/31/174861131.db2.gz ORBXMSLFKFYDSS-VIFPVBQESA-N 0 0 277.437 4.058 10 0 CIAERN C[C@@H]1CCCC[C@@H]1CNc1ccc(Br)cc1N ZINC000042859915 174893178 /nfs/dbraw/zinc/89/31/78/174893178.db2.gz GJJFVACNTYIJAD-GHMZBOCLSA-N 0 0 297.240 4.270 10 0 CIAERN CC/C(=C\c1ccc(-c2ccccc2F)o1)[N+](=O)[O-] ZINC000042906208 174907681 /nfs/dbraw/zinc/90/76/81/174907681.db2.gz LDGTXPYDMXTBQX-MDZDMXLPSA-N 0 0 261.252 4.113 10 0 CIAERN Nc1ccc2c(c1)C(=O)c1cc(SC(F)(F)F)ccc1-2 ZINC000043463403 175051999 /nfs/dbraw/zinc/05/19/99/175051999.db2.gz RTTAVIPCRJEYRA-UHFFFAOYSA-N 0 0 295.285 4.092 10 0 CIAERN O=c1cc(C(F)(F)F)n(-c2ccccc2)c2ccccc12 ZINC000043464905 175052569 /nfs/dbraw/zinc/05/25/69/175052569.db2.gz NYUGPFRJWDZBOW-UHFFFAOYSA-N 0 0 289.256 4.010 10 0 CIAERN CCOc1ccccc1NCc1ccc(O)c(Cl)c1 ZINC000043476683 175054410 /nfs/dbraw/zinc/05/44/10/175054410.db2.gz XNLUWBNAGUOATF-UHFFFAOYSA-N 0 0 277.751 4.056 10 0 CIAERN Cc1ccc(NCc2ccc(O)c(Cl)c2)cc1F ZINC000043476914 175054508 /nfs/dbraw/zinc/05/45/08/175054508.db2.gz CAYLMXQJUSZKFD-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN Cc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000043609553 175078596 /nfs/dbraw/zinc/07/85/96/175078596.db2.gz YAGQCTRSPFKDRM-UHFFFAOYSA-N 0 0 268.234 4.146 10 0 CIAERN CCc1ccc([C@H](O)c2cc(C)sc2C)s1 ZINC000043640396 175084600 /nfs/dbraw/zinc/08/46/00/175084600.db2.gz NJHBDBKIKMSJKX-CYBMUJFWSA-N 0 0 252.404 4.071 10 0 CIAERN C[C@H]1CCC(=O)[C@H](Cc2ccc(Br)s2)C1 ZINC000043652064 175085426 /nfs/dbraw/zinc/08/54/26/175085426.db2.gz VYZMOXGHTKDYJY-IUCAKERBSA-N 0 0 287.222 4.058 10 0 CIAERN Cc1nn([C@H](CC(C)C)c2ccccc2)c(N)c1Cl ZINC000043667458 175086641 /nfs/dbraw/zinc/08/66/41/175086641.db2.gz QMJHOELNTZMYME-CYBMUJFWSA-N 0 0 277.799 4.063 10 0 CIAERN CC(C)CSCc1cc(Br)cs1 ZINC000043687769 175094874 /nfs/dbraw/zinc/09/48/74/175094874.db2.gz QRJPZDUWACOWPV-UHFFFAOYSA-N 0 0 265.241 4.400 10 0 CIAERN CC(C)(C)c1ccc(-c2cnc(Br)cn2)cc1 ZINC000044117487 175142377 /nfs/dbraw/zinc/14/23/77/175142377.db2.gz JFOVHGJRETXVNP-UHFFFAOYSA-N 0 0 291.192 4.204 10 0 CIAERN c1ccc2nc(-c3ccc4c(c3)CCCC4)cnc2c1 ZINC000045298574 175354545 /nfs/dbraw/zinc/35/45/45/175354545.db2.gz OYBCAGPXCWENOF-UHFFFAOYSA-N 0 0 260.340 4.176 10 0 CIAERN CCc1cc(N)cc2nc(-c3cccc(Cl)c3)oc21 ZINC000062541793 175669374 /nfs/dbraw/zinc/66/93/74/175669374.db2.gz HXFXTWUWSOBTJO-UHFFFAOYSA-N 0 0 272.735 4.293 10 0 CIAERN O=Cc1cc(-c2cccc(C(F)(F)F)c2F)ccc1O ZINC000065342120 175711707 /nfs/dbraw/zinc/71/17/07/175711707.db2.gz AJNIUOUQCIDPKP-UHFFFAOYSA-N 0 0 284.208 4.030 10 0 CIAERN Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000070236478 175882869 /nfs/dbraw/zinc/88/28/69/175882869.db2.gz AZHMUGWRLGBPHI-UHFFFAOYSA-N 0 0 250.700 4.367 10 0 CIAERN Cc1cc(O)ccc1NCc1ccc(Cl)s1 ZINC000070735728 176004081 /nfs/dbraw/zinc/00/40/81/176004081.db2.gz DNKSRPCKEVZVMO-UHFFFAOYSA-N 0 0 253.754 4.028 10 0 CIAERN CC(C)(C)CCNc1ccccc1Br ZINC000071085645 176030686 /nfs/dbraw/zinc/03/06/86/176030686.db2.gz SDTFYJXSNQJVBB-UHFFFAOYSA-N 0 0 256.187 4.297 10 0 CIAERN Cc1cc(N)cnc1Nc1ccccc1C(C)(C)C ZINC000071174162 176053686 /nfs/dbraw/zinc/05/36/86/176053686.db2.gz DNACOMICBLGXCR-UHFFFAOYSA-N 0 0 255.365 4.013 10 0 CIAERN CC(C)(C)c1ccccc1Nc1nc(Cl)nc(Cl)n1 ZINC000071174791 176054144 /nfs/dbraw/zinc/05/41/44/176054144.db2.gz MLBBXDFMNCZRNM-UHFFFAOYSA-N 0 0 297.189 4.220 10 0 CIAERN CC(C)(Br)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071423457 176160721 /nfs/dbraw/zinc/16/07/21/176160721.db2.gz PHLCOZNKCZTJSX-UHFFFAOYSA-N 0 0 295.991 4.350 10 0 CIAERN Cc1cc2c(CO)c(Cl)n(Cc3ccccc3)c2c(C)c1 ZINC000071465703 176181778 /nfs/dbraw/zinc/18/17/78/176181778.db2.gz IZUHDTKZOSTTKJ-UHFFFAOYSA-N 0 0 299.801 4.452 10 0 CIAERN CCCc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000071570435 176197506 /nfs/dbraw/zinc/19/75/06/176197506.db2.gz GAXNRPJQWZJHEI-UHFFFAOYSA-N 0 0 250.345 4.262 10 0 CIAERN Cc1ccc(-c2cc(Cl)nc(Cl)n2)cc1C ZINC000071574522 176201403 /nfs/dbraw/zinc/20/14/03/176201403.db2.gz DBZPGNCHJGBRKM-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN CC(=O)c1nc(-c2ccc(CC(C)C)cc2)cs1 ZINC000071585656 176211635 /nfs/dbraw/zinc/21/16/35/176211635.db2.gz WCNKKWVBKXJMNG-UHFFFAOYSA-N 0 0 259.374 4.211 10 0 CIAERN C=Cc1ccc(CO[C@@](F)(C(F)F)C(F)(F)F)cc1 ZINC000071602838 176228800 /nfs/dbraw/zinc/22/88/00/176228800.db2.gz CLSJJYHEGNASDC-NSHDSACASA-N 0 0 284.199 4.339 10 0 CIAERN CC(C)(C)c1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000071652444 176241493 /nfs/dbraw/zinc/24/14/93/176241493.db2.gz AMKRZESCCMLXIO-UHFFFAOYSA-N 0 0 298.224 4.096 10 0 CIAERN FC(F)(F)c1ccc(C2CC2)c(Br)c1 ZINC000072193376 176336619 /nfs/dbraw/zinc/33/66/19/176336619.db2.gz VVTZFWRMIYNPSY-UHFFFAOYSA-N 0 0 265.072 4.345 10 0 CIAERN Brc1nc(-c2ccccc2)nc2ccccc12 ZINC000072192218 176336817 /nfs/dbraw/zinc/33/68/17/176336817.db2.gz FHSOXUSTFPINNW-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN FC(F)(F)c1ccccc1-c1nc(Cl)cc(Cl)n1 ZINC000072193248 176336875 /nfs/dbraw/zinc/33/68/75/176336875.db2.gz BKUZEIJOFFMDMN-UHFFFAOYSA-N 0 0 293.075 4.469 10 0 CIAERN c1cc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 ZINC000072451537 176404739 /nfs/dbraw/zinc/40/47/39/176404739.db2.gz XMIHJBIIBXXIJG-UHFFFAOYSA-N 0 0 271.323 4.063 10 0 CIAERN COc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000073639745 176481052 /nfs/dbraw/zinc/48/10/52/176481052.db2.gz DNYXFGYRTTWFQH-UHFFFAOYSA-N 0 0 253.301 4.120 10 0 CIAERN COc1ccc(-c2nc(-c3ccccc3)cc(=S)[nH]2)cc1 ZINC000073695436 176486338 /nfs/dbraw/zinc/48/63/38/176486338.db2.gz HPXZBCLESHUNEV-UHFFFAOYSA-N 0 0 294.379 4.108 10 0 CIAERN CCc1ccc(C=C(Br)Br)cc1 ZINC000075421006 176702962 /nfs/dbraw/zinc/70/29/62/176702962.db2.gz SZSVMAWQXYGPSK-UHFFFAOYSA-N 0 0 289.998 4.337 10 0 CIAERN CCCCCCNc1nc2ccc(OC)cc2s1 ZINC000075825322 176799823 /nfs/dbraw/zinc/79/98/23/176799823.db2.gz LIYUVYZDSYTDHA-UHFFFAOYSA-N 0 0 264.394 4.297 10 0 CIAERN Nc1cccc(CSCc2ccccc2Cl)c1 ZINC000077019216 177152004 /nfs/dbraw/zinc/15/20/04/177152004.db2.gz KNMYUWBDIWESNV-UHFFFAOYSA-N 0 0 263.793 4.356 10 0 CIAERN Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(C)c1 ZINC000078402813 177338134 /nfs/dbraw/zinc/33/81/34/177338134.db2.gz MIGKLTQVKUYASN-CYBMUJFWSA-N 0 0 286.350 4.325 10 0 CIAERN O=Cc1ccccc1Oc1ccc2c(c1)CCCC2 ZINC000078771150 177384637 /nfs/dbraw/zinc/38/46/37/177384637.db2.gz KSWWABGQQYNJFZ-UHFFFAOYSA-N 0 0 252.313 4.170 10 0 CIAERN CC(C)[C@@H](C)NC(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000078802305 177390126 /nfs/dbraw/zinc/39/01/26/177390126.db2.gz NFSILISZYQOLFM-CYBMUJFWSA-N 0 0 299.374 4.040 10 0 CIAERN CC(C)[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000078802307 177390350 /nfs/dbraw/zinc/39/03/50/177390350.db2.gz NFSILISZYQOLFM-ZDUSSCGKSA-N 0 0 299.374 4.040 10 0 CIAERN Cc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000079031234 177418389 /nfs/dbraw/zinc/41/83/89/177418389.db2.gz HWQPBEKHKMNAHV-UHFFFAOYSA-N 0 0 275.392 4.110 10 0 CIAERN C[C@H]1C[C@@H](C(=O)N2CCc3sccc3C2)CC(C)(C)C1 ZINC000182769896 260086019 /nfs/dbraw/zinc/08/60/19/260086019.db2.gz RJCUYAQFPVJRNS-GXTWGEPZSA-N 0 0 291.460 4.095 10 0 CIAERN CC(C)n1ccnc1CSc1ccnc2ccccc21 ZINC000171787022 335079996 /nfs/dbraw/zinc/07/99/96/335079996.db2.gz NBKIXNSIOUNYBY-UHFFFAOYSA-N 0 0 283.400 4.305 10 0 CIAERN Cc1ccc([C@@H](C)NCc2ccc([C@H]3C[C@@H]3C)o2)o1 ZINC000035043351 260005053 /nfs/dbraw/zinc/00/50/53/260005053.db2.gz DFKOJKLAWKVUDG-SUHUHFCYSA-N 0 0 259.349 4.155 10 0 CIAERN Cc1nc(N[C@H]2CCCc3ccccc32)sc1C ZINC000087302741 260036754 /nfs/dbraw/zinc/03/67/54/260036754.db2.gz ULZMQZSYADSJKG-AWEZNQCLSA-N 0 0 258.390 4.249 10 0 CIAERN COCCC[C@@H](C)Nc1cc(C)c(C)c2ncccc12 ZINC000179982785 260085172 /nfs/dbraw/zinc/08/51/72/260085172.db2.gz WKYDNWYSELMIEV-CYBMUJFWSA-N 0 0 272.392 4.079 10 0 CIAERN C[C@H]1C[C@@H](C(=O)N(C)c2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180339741 260098198 /nfs/dbraw/zinc/09/81/98/260098198.db2.gz AYONEBMKJDYCPG-NWDGAFQWSA-N 0 0 294.826 4.160 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)cc2Cl)o1 ZINC000180497951 260104456 /nfs/dbraw/zinc/10/44/56/260104456.db2.gz OZALVOOIEOMWOX-GFCCVEGCSA-N 0 0 291.778 4.349 10 0 CIAERN Cc1nn(C)cc1[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000087406534 260144124 /nfs/dbraw/zinc/14/41/24/260144124.db2.gz PSFBOLLAQYXEQV-MRVPVSSYSA-N 0 0 284.190 4.208 10 0 CIAERN Cc1cnc([C@H](C)NCc2cc(Cl)sc2Cl)o1 ZINC000312557517 260148232 /nfs/dbraw/zinc/14/82/32/260148232.db2.gz KBTQFCNFIFBHEW-ZETCQYMHSA-N 0 0 291.203 4.202 10 0 CIAERN CC(C)c1ccc([C@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)cc1 ZINC000086735751 260209736 /nfs/dbraw/zinc/20/97/36/260209736.db2.gz MVSIKTHHUBLZMT-IGEOTXOUSA-N 0 0 289.419 4.104 10 0 CIAERN FC(F)(F)c1ccnc(N[C@@H]2CCOc3ccccc32)c1 ZINC000090803340 260262387 /nfs/dbraw/zinc/26/23/87/260262387.db2.gz XLORPCMVQZBOOG-GFCCVEGCSA-N 0 0 294.276 4.036 10 0 CIAERN CCOc1ccc2nc(NCc3ccc(C)nc3)sc2c1 ZINC000093423774 260275908 /nfs/dbraw/zinc/27/59/08/260275908.db2.gz PDHDFIBPGCGBML-UHFFFAOYSA-N 0 0 299.399 4.011 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C/C=C/c2ccc(C)cc2)o1 ZINC000084743255 260367540 /nfs/dbraw/zinc/36/75/40/260367540.db2.gz CZOOCTSXFYSYKX-RGDDUWESSA-N 0 0 283.371 4.177 10 0 CIAERN Cc1cc(CN[C@@H](c2ccccc2)c2ccccc2C)on1 ZINC000175172929 261210875 /nfs/dbraw/zinc/21/08/75/261210875.db2.gz MTJMCKUAHXZAMI-IBGZPJMESA-N 0 0 292.382 4.171 10 0 CIAERN Cc1ccc([C@@H](C)NCc2cc(F)cc(Cl)c2)o1 ZINC000160846083 261228424 /nfs/dbraw/zinc/22/84/24/261228424.db2.gz BRIJYWYAOWZXNV-SNVBAGLBSA-N 0 0 267.731 4.231 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)CCCc2ccc(C)s2)o1 ZINC000175975880 261258943 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/nfs/dbraw/zinc/61/00/75/261610075.db2.gz YGRPEOYYKOAZLW-UWVGGRQHSA-N 0 0 297.807 4.284 10 0 CIAERN COc1ccsc1[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000186083081 262079475 /nfs/dbraw/zinc/07/94/75/262079475.db2.gz NHZLPILQYZCMAS-MNOVXSKESA-N 0 0 265.378 4.070 10 0 CIAERN O=C(C1=CCCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000186553677 262098756 /nfs/dbraw/zinc/09/87/56/262098756.db2.gz SOFJOQRROAGMRP-AWEZNQCLSA-N 0 0 290.432 4.087 10 0 CIAERN CCn1ccnc1CSCc1cc(F)ccc1Cl ZINC000187506634 263261171 /nfs/dbraw/zinc/26/11/71/263261171.db2.gz KCOQIJZEPGMSNM-UHFFFAOYSA-N 0 0 284.787 4.129 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cc(Cl)nc(C3CC3)n2)o1 ZINC000131611602 264375080 /nfs/dbraw/zinc/37/50/80/264375080.db2.gz JMDDJHOARAVTAR-SECBINFHSA-N 0 0 277.755 4.082 10 0 CIAERN Clc1ccc2nc(NCc3cscn3)sc2c1 ZINC000093429542 265180203 /nfs/dbraw/zinc/18/02/03/265180203.db2.gz NPDHUNHFBGEYOD-UHFFFAOYSA-N 0 0 281.793 4.018 10 0 CIAERN CC(C)c1ccccc1N[C@H]1CCOC2(CCC2)C1 ZINC000094365457 265240078 /nfs/dbraw/zinc/24/00/78/265240078.db2.gz MDEDDXATOYNILI-AWEZNQCLSA-N 0 0 259.393 4.324 10 0 CIAERN Cc1ccc(F)c(C(=O)N[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000094820611 265257678 /nfs/dbraw/zinc/25/76/78/265257678.db2.gz DXHPQXZFYQPQPJ-GFCCVEGCSA-N 0 0 289.325 4.073 10 0 CIAERN COc1ccc(F)c(N[C@H](C)c2ccc(F)cc2)c1 ZINC000094854425 265257770 /nfs/dbraw/zinc/25/77/70/265257770.db2.gz RUWBJZIWPRSFIU-SNVBAGLBSA-N 0 0 263.287 4.147 10 0 CIAERN Cc1ccc([C@H](C)Nc2cnc3ccccc3n2)cc1F ZINC000094957832 265279278 /nfs/dbraw/zinc/27/92/78/265279278.db2.gz JHWDESIEPGPPRQ-LBPRGKRZSA-N 0 0 281.334 4.250 10 0 CIAERN CCCc1nsc(N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000094957842 265279409 /nfs/dbraw/zinc/27/94/09/265279409.db2.gz YANVESHKZLSDEX-SNVBAGLBSA-N 0 0 279.384 4.111 10 0 CIAERN Cc1sc2c(nc(Cl)nc2Cl)c1Br ZINC000238499560 265367831 /nfs/dbraw/zinc/36/78/31/265367831.db2.gz OYVZBRIHXCRDQL-UHFFFAOYSA-N 0 0 297.992 4.069 10 0 CIAERN Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116478030 267153168 /nfs/dbraw/zinc/15/31/68/267153168.db2.gz WEFKHOMQUXHQAW-CQSZACIVSA-N 0 0 288.322 4.096 10 0 CIAERN C[C@@H](CNc1ccncc1Cl)c1cccs1 ZINC000301539572 327716886 /nfs/dbraw/zinc/71/68/86/327716886.db2.gz UYRRLOJPHPAMAG-VIFPVBQESA-N 0 0 252.770 4.012 10 0 CIAERN Cc1cnc(N[C@H](C)c2cccc(Br)c2)s1 ZINC000302866730 327721856 /nfs/dbraw/zinc/72/18/56/327721856.db2.gz YWSUBLPORTZIHI-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN CC[C@H](Nc1ccc(OC(F)F)cn1)c1cccs1 ZINC000302708880 327722057 /nfs/dbraw/zinc/72/20/57/327722057.db2.gz YXWAASUORNRGAF-JTQLQIEISA-N 0 0 284.331 4.308 10 0 CIAERN C[C@@H](Nc1ncccc1Br)c1cccs1 ZINC000048759260 328320034 /nfs/dbraw/zinc/32/00/34/328320034.db2.gz KJKARRHNCXGYII-MRVPVSSYSA-N 0 0 283.194 4.079 10 0 CIAERN CSc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000112229563 328393479 /nfs/dbraw/zinc/39/34/79/328393479.db2.gz KBFCRFLKLDLQIU-VIFPVBQESA-N 0 0 295.791 4.146 10 0 CIAERN CSc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)o1 ZINC000112229565 328393688 /nfs/dbraw/zinc/39/36/88/328393688.db2.gz KBFCRFLKLDLQIU-SECBINFHSA-N 0 0 295.791 4.146 10 0 CIAERN CCOC(=O)[C@@H](C)c1nc(-c2ccc(C)c(C)c2)cs1 ZINC000312431156 326809424 /nfs/dbraw/zinc/80/94/24/326809424.db2.gz ULNYJMHJGVFAHD-LBPRGKRZSA-N 0 0 289.400 4.094 10 0 CIAERN CCCOc1cccc(NCc2ccn(CCC)c2)c1 ZINC000091010909 327165382 /nfs/dbraw/zinc/16/53/82/327165382.db2.gz PKDNCHPLRUFNJA-UHFFFAOYSA-N 0 0 272.392 4.299 10 0 CIAERN CCCn1ccc(CNc2cccc(Cl)c2N(C)C)c1 ZINC000091011831 327165399 /nfs/dbraw/zinc/16/53/99/327165399.db2.gz XAKPMGBMLVNSBX-UHFFFAOYSA-N 0 0 291.826 4.230 10 0 CIAERN CCC1(NC(=O)N[C@@H](C)c2ccc(Cl)s2)CCC1 ZINC000091235563 327185074 /nfs/dbraw/zinc/18/50/74/327185074.db2.gz IBLUOLDJSCRBJZ-VIFPVBQESA-N 0 0 286.828 4.094 10 0 CIAERN Cc1nscc1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000181717801 327213025 /nfs/dbraw/zinc/21/30/25/327213025.db2.gz LNWJHSWEEPQDSQ-NSHDSACASA-N 0 0 288.416 4.066 10 0 CIAERN Cc1c(Br)cccc1N[C@@H](C)c1cncs1 ZINC000134490751 327493527 /nfs/dbraw/zinc/49/35/27/327493527.db2.gz DSVVLQXTVWZXNF-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN CCCC[C@H](CC)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000054107640 328686619 /nfs/dbraw/zinc/68/66/19/328686619.db2.gz YWJZAEPOGADFNA-ZDUSSCGKSA-N 0 0 274.408 4.200 10 0 CIAERN CCC(CC)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000042240274 328762723 /nfs/dbraw/zinc/76/27/23/328762723.db2.gz HDAARXIYNYCIBL-SNVBAGLBSA-N 0 0 298.224 4.063 10 0 CIAERN Cc1nc([C@H](C)NC(=O)c2cccc3ccccc32)cs1 ZINC000170525099 329067540 /nfs/dbraw/zinc/06/75/40/329067540.db2.gz XKRIYPFMMQDXDG-NSHDSACASA-N 0 0 296.395 4.096 10 0 CIAERN CCCCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000173748618 329148227 /nfs/dbraw/zinc/14/82/27/329148227.db2.gz UYMSZKSOZODLJO-ZBFHGGJFSA-N 0 0 291.439 4.070 10 0 CIAERN CCCCCC[C@H](C)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000173748635 329148297 /nfs/dbraw/zinc/14/82/97/329148297.db2.gz UYMSZKSOZODLJO-HOCLYGCPSA-N 0 0 291.439 4.070 10 0 CIAERN Cc1c(F)cccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000175029064 329162163 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329214180 /nfs/dbraw/zinc/21/41/80/329214180.db2.gz DVUOYFSEAJYWNJ-NSHDSACASA-N 0 0 285.372 4.280 10 0 CIAERN CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(Cl)c(Cl)c1 ZINC000223865140 329240721 /nfs/dbraw/zinc/24/07/21/329240721.db2.gz HVWUQAMKCZKIEC-NOZJJQNGSA-N 0 0 276.207 4.069 10 0 CIAERN Cc1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)co1 ZINC000187204021 329354979 /nfs/dbraw/zinc/35/49/79/329354979.db2.gz JJLZBQNMZNRCMQ-ZDUSSCGKSA-N 0 0 279.339 4.232 10 0 CIAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)o1 ZINC000230631226 329367936 /nfs/dbraw/zinc/36/79/36/329367936.db2.gz IESFKJJLRGTONC-DTWKUNHWSA-N 0 0 270.785 4.110 10 0 CIAERN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000191544564 329417244 /nfs/dbraw/zinc/41/72/44/329417244.db2.gz ITSCYNNEFQDTFD-XJKSGUPXSA-N 0 0 289.419 4.269 10 0 CIAERN COc1ccc(C[C@@H](C)Nc2ccccc2C)cc1 ZINC000035647961 329500565 /nfs/dbraw/zinc/50/05/65/329500565.db2.gz OXCAVMQXWUMCSB-CQSZACIVSA-N 0 0 255.361 4.047 10 0 CIAERN O=C(Nc1cccc2[nH]ccc21)N1CCC[C@H]1c1ccco1 ZINC000116495682 329545227 /nfs/dbraw/zinc/54/52/27/329545227.db2.gz NSGIJKJAAPCELV-HNNXBMFYSA-N 0 0 295.342 4.130 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116519214 329545288 /nfs/dbraw/zinc/54/52/88/329545288.db2.gz DLSUFZHLRKEMOA-HOCLYGCPSA-N 0 0 298.386 4.196 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)o1 ZINC000127973946 329603729 /nfs/dbraw/zinc/60/37/29/329603729.db2.gz OYMDMZHCYIOKPF-HNNXBMFYSA-N 0 0 287.334 4.095 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccoc2C)o1 ZINC000128297342 329606813 /nfs/dbraw/zinc/60/68/13/329606813.db2.gz VSHLSQLSMQVOCO-OAHLLOKOSA-N 0 0 287.359 4.111 10 0 CIAERN CCn1c(C)nnc1CSc1ccc2ccccc2c1 ZINC000194651476 329687411 /nfs/dbraw/zinc/68/74/11/329687411.db2.gz SAAUAHWRZBNIFL-UHFFFAOYSA-N 0 0 283.400 4.052 10 0 CIAERN CCn1c(C)nnc1CSCc1cccc2ccccc21 ZINC000194700423 329688246 /nfs/dbraw/zinc/68/82/46/329688246.db2.gz LNRLOOSKGDDZPS-UHFFFAOYSA-N 0 0 297.427 4.193 10 0 CIAERN CC[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccncc1 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GVBZWUITYONFEU-CHWSQXEVSA-N 0 0 293.373 4.440 10 0 CIAERN O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000155351284 334719794 /nfs/dbraw/zinc/71/97/94/334719794.db2.gz VMZCZGMLXDMBEW-CYBMUJFWSA-N 0 0 293.725 4.049 10 0 CIAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC3(CCC3)C2)cc1 ZINC000157957699 334788132 /nfs/dbraw/zinc/78/81/32/334788132.db2.gz ZEFNVWIIPHHXEN-ROUUACIJSA-N 0 0 297.442 4.316 10 0 CIAERN CC(C)c1nn(C)cc1N[C@H]1CCCc2ccccc21 ZINC000380046206 335303887 /nfs/dbraw/zinc/30/38/87/335303887.db2.gz PCAJSEJHAMFTLO-HNNXBMFYSA-N 0 0 269.392 4.033 10 0 CIAERN FC(F)(F)[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000192905279 335322497 /nfs/dbraw/zinc/32/24/97/335322497.db2.gz PIICTPXLMSJZCY-GFCCVEGCSA-N 0 0 280.293 4.014 10 0 CIAERN FC(F)(F)[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000192905261 335322499 /nfs/dbraw/zinc/32/24/99/335322499.db2.gz PIICTPXLMSJZCY-LBPRGKRZSA-N 0 0 280.293 4.014 10 0 CIAERN Cc1cc([C@H](C)Nc2cn(C)nc2C(C)C)cs1 ZINC000381372114 336060770 /nfs/dbraw/zinc/06/07/70/336060770.db2.gz MWHPWSFWVQDODX-NSHDSACASA-N 0 0 263.410 4.087 10 0 CIAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)c1cccc(Cl)c1 ZINC000049526350 519857845 /nfs/dbraw/zinc/85/78/45/519857845.db2.gz AQMNNUSOVFAIJR-VIFPVBQESA-N 0 0 281.812 4.327 10 0 CIAERN CC(=O)c1c(F)cccc1N(C)[C@@H]1CCCC[C@H]1C ZINC000055387508 518238824 /nfs/dbraw/zinc/23/88/24/518238824.db2.gz ALQBOIIBZGDVOQ-BXUZGUMPSA-N 0 0 263.356 4.043 10 0 CIAERN CC(=O)c1sc(-c2ccc(F)cc2Cl)nc1C ZINC000061847294 518495404 /nfs/dbraw/zinc/49/54/04/518495404.db2.gz UTTVZAZOUTVUPT-UHFFFAOYSA-N 0 0 269.728 4.114 10 0 CIAERN CC(C)(C)OC(=O)N1c2ccccc2C=CC1(C)C ZINC000034459423 518818856 /nfs/dbraw/zinc/81/88/56/518818856.db2.gz NEBHPNNWUHTYAH-UHFFFAOYSA-N 0 0 259.349 4.234 10 0 CIAERN CC(C)(C)c1cc(N)c2c(Br)ccc(F)c2n1 ZINC000050868309 518999571 /nfs/dbraw/zinc/99/95/71/518999571.db2.gz ZGVKRLFUDOLNRW-UHFFFAOYSA-N 0 0 297.171 4.016 10 0 CIAERN CC(C)(C)c1ccc(SCCCCCO)cc1 ZINC000051020572 519048070 /nfs/dbraw/zinc/04/80/70/519048070.db2.gz HSOPMLWAEONSQL-UHFFFAOYSA-N 0 0 252.423 4.239 10 0 CIAERN CC(C)C[C@H](C)n1c2ccc(N)cc2nc1C1CC1 ZINC000052852599 519329042 /nfs/dbraw/zinc/32/90/42/519329042.db2.gz QTAYCVCCLIMKCF-NSHDSACASA-N 0 0 257.381 4.103 10 0 CIAERN CC(=O)Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000062769936 519437717 /nfs/dbraw/zinc/43/77/17/519437717.db2.gz ZDHOEBXQELOQIZ-UHFFFAOYSA-N 0 0 256.345 4.376 10 0 CIAERN CC(C)CCC[C@@H](C)Nc1c(N)ccc(F)c1F ZINC000053166365 519645915 /nfs/dbraw/zinc/64/59/15/519645915.db2.gz BJCOPMHOMGAWRN-SNVBAGLBSA-N 0 0 256.340 4.174 10 0 CIAERN CC(C)C[C@@H](C)n1c2ccc(N)cc2nc1C1CC1 ZINC000052852597 519774327 /nfs/dbraw/zinc/77/43/27/519774327.db2.gz QTAYCVCCLIMKCF-LLVKDONJSA-N 0 0 257.381 4.103 10 0 CIAERN CC(C)C[C@@H](C)n1c2cc(F)ccc2[nH]c1=S ZINC000052122507 519774504 /nfs/dbraw/zinc/77/45/04/519774504.db2.gz UWJKCAWKTRWVLX-SECBINFHSA-N 0 0 252.358 4.445 10 0 CIAERN CC(C)c1ccc(CC(=O)c2ccccc2F)cc1 ZINC000062773926 519835427 /nfs/dbraw/zinc/83/54/27/519835427.db2.gz DQUUPKDHLIZKRS-UHFFFAOYSA-N 0 0 256.320 4.375 10 0 CIAERN CCN[C@@H](c1cccc(Cl)c1Cl)c1ncccc1C ZINC000055227271 520113358 /nfs/dbraw/zinc/11/33/58/520113358.db2.gz AYVSARCYPJULAT-HNNXBMFYSA-N 0 0 295.213 4.396 10 0 CIAERN Fc1ccc(F)c(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000195371146 534478252 /nfs/dbraw/zinc/47/82/52/534478252.db2.gz ZKSOXZXUQVGBGW-CQSZACIVSA-N 0 0 294.370 4.149 10 0 CIAERN CCNc1cc(CSc2ccc(C)cc2)ccn1 ZINC000052755951 520273465 /nfs/dbraw/zinc/27/34/65/520273465.db2.gz HWNQCFLRXQOKAN-UHFFFAOYSA-N 0 0 258.390 4.114 10 0 CIAERN CCNc1ccc(Cl)c(CO[C@@H]2CCCC[C@H]2C)n1 ZINC000061640234 520308650 /nfs/dbraw/zinc/30/86/50/520308650.db2.gz HENBTVILJVXGOT-BXUZGUMPSA-N 0 0 282.815 4.262 10 0 CIAERN CCNc1ccc(Cl)c(CO[C@H]2CCCC[C@@H]2C)n1 ZINC000061640233 520310160 /nfs/dbraw/zinc/31/01/60/520310160.db2.gz HENBTVILJVXGOT-FZMZJTMJSA-N 0 0 282.815 4.262 10 0 CIAERN CCNc1nc(-c2ccsc2)nc2sc(C)c(C)c21 ZINC000050842002 520352290 /nfs/dbraw/zinc/35/22/90/520352290.db2.gz OZEPTDWQZNFRJY-UHFFFAOYSA-N 0 0 289.429 4.468 10 0 CIAERN CCNc1nc(CS[C@H](C)CC)nc2sccc21 ZINC000050837489 520358234 /nfs/dbraw/zinc/35/82/34/520358234.db2.gz BFYIMPNYDFNLBH-SECBINFHSA-N 0 0 281.450 4.155 10 0 CIAERN CCCOc1ccc([C@@H](O)CCC)cc1OCCC ZINC000048453722 520417297 /nfs/dbraw/zinc/41/72/97/520417297.db2.gz MEYDCTYRCFELCB-AWEZNQCLSA-N 0 0 266.381 4.098 10 0 CIAERN CCCOc1cccc(-c2nc(C(C)C)sc2N)c1 ZINC000052921526 520437952 /nfs/dbraw/zinc/43/79/52/520437952.db2.gz ULHYMVKNUPJDOX-UHFFFAOYSA-N 0 0 276.405 4.305 10 0 CIAERN CCC[C@@H](c1cccs1)n1c(=S)[nH]nc1C1CC1 ZINC000049546405 520810648 /nfs/dbraw/zinc/81/06/48/520810648.db2.gz DJBREBRHXOFOPD-JTQLQIEISA-N 0 0 279.434 4.269 10 0 CIAERN CCC(C)(C)n1c2ccc(N)cc2nc1C(C)(C)C ZINC000052842372 521372597 /nfs/dbraw/zinc/37/25/97/521372597.db2.gz WOSVAWZWHVRMCY-UHFFFAOYSA-N 0 0 259.397 4.061 10 0 CIAERN CCCc1ccc(NCc2cc(C)n(C)c2C)cc1 ZINC000052789719 521401671 /nfs/dbraw/zinc/40/16/71/521401671.db2.gz PRZQTONJEOPPDH-UHFFFAOYSA-N 0 0 256.393 4.207 10 0 CIAERN CCCc1ccc([C@@](C)(O)c2cccc(F)c2)cc1 ZINC000055241675 521415902 /nfs/dbraw/zinc/41/59/02/521415902.db2.gz KXUKCDJFPKTSGK-QGZVFWFLSA-N 0 0 258.336 4.034 10 0 CIAERN CCN(c1ccc(C)cc1)c1ccc([C@@H](C)O)cc1 ZINC000049987613 521486987 /nfs/dbraw/zinc/48/69/87/521486987.db2.gz NDCZDYHZBRRNMI-CQSZACIVSA-N 0 0 255.361 4.206 10 0 CIAERN CCc1ccccc1CNc1ccc(C)cc1OC ZINC000052202889 521846054 /nfs/dbraw/zinc/84/60/54/521846054.db2.gz GMJNAAVSBCGHMH-UHFFFAOYSA-N 0 0 255.361 4.178 10 0 CIAERN CCc1nc2c(o1)c(Cl)cc(Br)c2C ZINC000062556119 522470675 /nfs/dbraw/zinc/47/06/75/522470675.db2.gz LZNSEYLYNIXWIW-UHFFFAOYSA-N 0 0 274.545 4.115 10 0 CIAERN CNc1nc(-c2cc(Cl)ccc2F)nc2sccc21 ZINC000052859467 522674150 /nfs/dbraw/zinc/67/41/50/522674150.db2.gz TYIFZXALTLAPAZ-UHFFFAOYSA-N 0 0 293.754 4.193 10 0 CIAERN CNc1nc([C@@H]2CCC[C@@H](C)C2)nc2sccc21 ZINC000050841422 522687890 /nfs/dbraw/zinc/68/78/90/522687890.db2.gz LLPWISKYEZKOMW-NXEZZACHSA-N 0 0 261.394 4.027 10 0 CIAERN CC[C@H](Nc1cc(N)cc(F)c1)c1cccs1 ZINC000049529247 522765158 /nfs/dbraw/zinc/76/51/58/522765158.db2.gz YWWHWDVXIGSWKA-LBPRGKRZSA-N 0 0 250.342 4.033 10 0 CIAERN CC[C@@H](Nc1cc(C)nc(Cl)n1)c1ccccc1 ZINC000052815058 522954499 /nfs/dbraw/zinc/95/44/99/522954499.db2.gz JIIAXDQTKIMZED-GFCCVEGCSA-N 0 0 261.756 4.002 10 0 CIAERN CC[C@@H](Nc1cccc2ncccc21)c1ccco1 ZINC000054082635 522963406 /nfs/dbraw/zinc/96/34/06/522963406.db2.gz GSJPXWWRLRJZKX-CYBMUJFWSA-N 0 0 252.317 4.391 10 0 CIAERN CC[C@H]1CCCCN1c1nc(C(C)(C)C)c(C=O)s1 ZINC000054967228 523032469 /nfs/dbraw/zinc/03/24/69/523032469.db2.gz FLHJVLCXAOMQCF-NSHDSACASA-N 0 0 280.437 4.022 10 0 CIAERN CC[C@@H]1CCCCN1c1nnc(Cl)c2ccccc21 ZINC000050529247 523179902 /nfs/dbraw/zinc/17/99/02/523179902.db2.gz INXUZNBGAGAUBD-LLVKDONJSA-N 0 0 275.783 4.052 10 0 CIAERN CC[C@@H]1CCCN(c2ccc([C@@H](C)O)cc2Cl)C1 ZINC000061695490 523255896 /nfs/dbraw/zinc/25/58/96/523255896.db2.gz HREMMRZTWWYBJX-VXGBXAGGSA-N 0 0 267.800 4.020 10 0 CIAERN COc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1 ZINC000048404414 523791730 /nfs/dbraw/zinc/79/17/30/523791730.db2.gz AODPKXBKQBHYRY-UHFFFAOYSA-N 0 0 290.746 4.130 10 0 CIAERN COc1ccc(C)cc1C(=O)Cc1cccc(Cl)c1 ZINC000052944386 523801406 /nfs/dbraw/zinc/80/14/06/523801406.db2.gz XFDKASHEJYTBKW-UHFFFAOYSA-N 0 0 274.747 4.082 10 0 CIAERN CCc1ccc(CC(=O)c2cc(F)cc(F)c2)s1 ZINC000053779397 523910217 /nfs/dbraw/zinc/91/02/17/523910217.db2.gz BVZLWQPPNLGFGA-UHFFFAOYSA-N 0 0 266.312 4.014 10 0 CIAERN CCc1ccc(Nc2nc3cc(C)ccc3o2)cc1 ZINC000064539356 523996767 /nfs/dbraw/zinc/99/67/67/523996767.db2.gz NQAKLIGQCZLYKC-UHFFFAOYSA-N 0 0 252.317 4.442 10 0 in-vivo CIAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)o1 ZINC000128612749 524053241 /nfs/dbraw/zinc/05/32/41/524053241.db2.gz JRMNZKWXOFKRJY-GDBMZVCRSA-N 0 0 287.403 4.252 10 0 CIAERN Cc1ccc(C)c(CSc2ccc(F)cc2N)c1 ZINC000049256931 524108168 /nfs/dbraw/zinc/10/81/68/524108168.db2.gz KBBHBQWLFVGZMN-UHFFFAOYSA-N 0 0 261.365 4.317 10 0 CIAERN Cc1ccc(C)c(C[C@H](O)c2ccccc2Cl)c1 ZINC000050438706 524109950 /nfs/dbraw/zinc/10/99/50/524109950.db2.gz TVOMDJBIGBHZJV-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2sc(C)nc2C)c1 ZINC000094855222 524293375 /nfs/dbraw/zinc/29/33/75/524293375.db2.gz LRFGJMUAPYQTMV-VIFPVBQESA-N 0 0 280.368 4.081 10 0 CIAERN C[C@@H]1CCC[C@@H](SCc2cc(F)ccc2N)C1 ZINC000054689694 524319505 /nfs/dbraw/zinc/31/95/05/524319505.db2.gz HDYKJZKZBXLYEB-ZWNOBZJWSA-N 0 0 253.386 4.220 10 0 CIAERN C[C@@H]1CCC[C@H](SCC(=O)c2ccc(F)cc2)C1 ZINC000054692968 524413748 /nfs/dbraw/zinc/41/37/48/524413748.db2.gz VBDFHJIOHBWXAV-RISCZKNCSA-N 0 0 266.381 4.320 10 0 CIAERN Cc1cccc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000301494724 534787352 /nfs/dbraw/zinc/78/73/52/534787352.db2.gz SBOQLMXUSFVAPS-NSHDSACASA-N 0 0 269.373 4.173 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@H](C)c1cccc(Cl)c1 ZINC000049526023 524609575 /nfs/dbraw/zinc/60/95/75/524609575.db2.gz AWPCRTKQPBBPII-LLVKDONJSA-N 0 0 261.752 4.180 10 0 CIAERN Cc1ccc(C[C@@H](O)c2ccc(F)c(Cl)c2)cc1 ZINC000062791871 524666334 /nfs/dbraw/zinc/66/63/34/524666334.db2.gz RKRJNJAAOBDYRV-OAHLLOKOSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1ccc(C[C@H](O)c2ccc(F)c(Cl)c2)cc1C ZINC000062791858 524685143 /nfs/dbraw/zinc/68/51/43/524685143.db2.gz YVNUAROYRPAARX-INIZCTEOSA-N 0 0 278.754 4.372 10 0 CIAERN COc1ccccc1[C@@](C)(O)c1cccc(Cl)c1Cl ZINC000055191735 524765107 /nfs/dbraw/zinc/76/51/07/524765107.db2.gz LVLQNIAPFWRQQJ-OAHLLOKOSA-N 0 0 297.181 4.258 10 0 CIAERN Cc1ccc(Cn2c3cccc(F)c3[nH]c2=S)s1 ZINC000050225724 524769676 /nfs/dbraw/zinc/76/96/76/524769676.db2.gz JEOUAWIVAOCYKA-UHFFFAOYSA-N 0 0 278.377 4.256 10 0 CIAERN Cc1cc(CN[C@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000044296163 524777181 /nfs/dbraw/zinc/77/71/81/524777181.db2.gz OTPKTFLAFQUMPS-CQSZACIVSA-N 0 0 272.392 4.032 10 0 CIAERN Cc1ccc(F)c(C(=O)Cc2ccc(C)c(C)c2)c1 ZINC000053138918 524779332 /nfs/dbraw/zinc/77/93/32/524779332.db2.gz XHSDUFPFNXWICO-UHFFFAOYSA-N 0 0 256.320 4.176 10 0 CIAERN Cc1ccc(F)c(NCc2c[nH]c3ccccc23)c1 ZINC000049137069 524825843 /nfs/dbraw/zinc/82/58/43/524825843.db2.gz RLPCUOKCCSUFQV-UHFFFAOYSA-N 0 0 254.308 4.228 10 0 CIAERN Cc1ccc(F)c([C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000055201137 524835745 /nfs/dbraw/zinc/83/57/45/524835745.db2.gz FNUZBWZRNAOABO-HNNXBMFYSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1ccc(F)c([C@H](O)Cc2cccc(Cl)c2)c1 ZINC000055201135 524836336 /nfs/dbraw/zinc/83/63/36/524836336.db2.gz FNUZBWZRNAOABO-OAHLLOKOSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1ccc(F)cc1[C@H](O)c1ccc(C(C)C)cc1 ZINC000055201058 524874016 /nfs/dbraw/zinc/87/40/16/524874016.db2.gz XBRVXMRTIRZAKY-QGZVFWFLSA-N 0 0 258.336 4.339 10 0 CIAERN Cc1ccc(F)cc1[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000062791815 524875003 /nfs/dbraw/zinc/87/50/03/524875003.db2.gz GHTQGGYXIXGBFR-AWEZNQCLSA-N 0 0 268.690 4.008 10 0 CIAERN Cc1cc(Cl)cc2c1O[C@@H](c1ccc(F)cc1)CN2 ZINC000062557080 524879712 /nfs/dbraw/zinc/87/97/12/524879712.db2.gz XUFKHCABLGXCKT-CQSZACIVSA-N 0 0 277.726 4.333 10 0 CIAERN Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000152099907 524881982 /nfs/dbraw/zinc/88/19/82/524881982.db2.gz RUUHDJZLCPQBTC-CQSZACIVSA-N 0 0 289.762 4.219 10 0 CIAERN Cc1cc(F)ccc1CNc1cccc2ncccc21 ZINC000050569043 524980173 /nfs/dbraw/zinc/98/01/73/524980173.db2.gz FJEAVBJTSURTDX-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN C[C@@H](N(C)c1nc(Cl)nc2ccccc21)C(C)(C)C ZINC000052811799 524984574 /nfs/dbraw/zinc/98/45/74/524984574.db2.gz HWEULXWCEPAJQZ-SNVBAGLBSA-N 0 0 277.799 4.154 10 0 CIAERN Cc1cc(N)c(NC(=O)Nc2cccc(Cl)c2)cc1C ZINC000050439565 525033717 /nfs/dbraw/zinc/03/37/17/525033717.db2.gz NRDXLZHBTORFSS-UHFFFAOYSA-N 0 0 289.766 4.183 10 0 CIAERN Cc1cc(N)ccc1N[C@H](C)c1ccc(Cl)cc1 ZINC000049515509 525038890 /nfs/dbraw/zinc/03/88/90/525038890.db2.gz QYBYXUWKOXSCNJ-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1cc(N)ccc1N[C@@H](c1cccs1)C(C)C ZINC000049555095 525039871 /nfs/dbraw/zinc/03/98/71/525039871.db2.gz QGIZAGSJQHHUON-OAHLLOKOSA-N 0 0 260.406 4.448 10 0 CIAERN Cc1cc(N)cnc1Nc1cc(Cl)cc(Cl)c1 ZINC000052812459 525040523 /nfs/dbraw/zinc/04/05/23/525040523.db2.gz NIZAKBYBQFAKJX-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN Cc1cc(N)cnc1Oc1ccc(C(C)C)c(C)c1 ZINC000052813622 525041067 /nfs/dbraw/zinc/04/10/67/525041067.db2.gz WXAAKVSIJTUMMM-UHFFFAOYSA-N 0 0 256.349 4.196 10 0 CIAERN Cc1ccc(Nc2cccc(Cl)c2C(N)=S)c(C)c1 ZINC000052904019 525324803 /nfs/dbraw/zinc/32/48/03/525324803.db2.gz XVBXFMXCYCEFST-UHFFFAOYSA-N 0 0 290.819 4.335 10 0 CIAERN Cc1cc(Oc2ccc(F)cc2Cl)ccc1CO ZINC000050584088 525386718 /nfs/dbraw/zinc/38/67/18/525386718.db2.gz TVZIMXXFBFHIFD-UHFFFAOYSA-N 0 0 266.699 4.072 10 0 CIAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2Cl)cc1 ZINC000061697382 525475839 /nfs/dbraw/zinc/47/58/39/525475839.db2.gz KIEVOZNVEOOHIN-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN Cc1cc([C@@H](C)Nc2cccc(N)c2C)c(C)s1 ZINC000062724991 525478379 /nfs/dbraw/zinc/47/83/79/525478379.db2.gz DJQRWXUMJJHDKE-LLVKDONJSA-N 0 0 260.406 4.429 10 0 CIAERN Cc1cc([C@@H](O)C(C)(C)c2ccccc2)ccc1F ZINC000062772931 525484188 /nfs/dbraw/zinc/48/41/88/525484188.db2.gz NIQZYTLARXXVPD-MRXNPFEDSA-N 0 0 258.336 4.145 10 0 CIAERN Cc1cc([C@H](N)c2nc(C(C)(C)C)cs2)c(C)s1 ZINC000049687888 525535946 /nfs/dbraw/zinc/53/59/46/525535946.db2.gz OUPGAIFZTPTBNW-LBPRGKRZSA-N 0 0 280.462 4.167 10 0 CIAERN C[C@H](Nc1c(N)cccc1Cl)c1ccc(F)cc1 ZINC000049506105 525642526 /nfs/dbraw/zinc/64/25/26/525642526.db2.gz LNJKACNCLLBJAW-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1c(N)cccc1Cl)c1cccc(F)c1 ZINC000049529031 525642746 /nfs/dbraw/zinc/64/27/46/525642746.db2.gz SFFWNCYMCUWJOC-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1ccc(Cl)cc1N)c1cccc(F)c1 ZINC000049529017 525650466 /nfs/dbraw/zinc/65/04/66/525650466.db2.gz ZKUFKGDBMKCYQQ-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1ccc(Cl)cc1N)c1ccccc1F ZINC000049528870 525650743 /nfs/dbraw/zinc/65/07/43/525650743.db2.gz WXVCFSBBILRIIP-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000138978166 525658181 /nfs/dbraw/zinc/65/81/81/525658181.db2.gz IUDLKRYDDWLLHX-CHWSQXEVSA-N 0 0 271.408 4.119 10 0 CIAERN C[C@H](Nc1cccc(-n2ccnc2)c1)c1ccsc1 ZINC000050340875 525666611 /nfs/dbraw/zinc/66/66/11/525666611.db2.gz XRLBHHQFQJLWAN-LBPRGKRZSA-N 0 0 269.373 4.107 10 0 CIAERN C[C@H](Nc1cccc(F)c1N)c1ccccc1Cl ZINC000049506630 525667905 /nfs/dbraw/zinc/66/79/05/525667905.db2.gz KQXMYUDYNXANJM-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1cccc(F)n1)c1ccc(Cl)cc1 ZINC000042415705 525668657 /nfs/dbraw/zinc/66/86/57/525668657.db2.gz PRENWBUADYAPIG-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000080319804 525702937 /nfs/dbraw/zinc/70/29/37/525702937.db2.gz FTOYPGGCVBWXGZ-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN C[C@@H](Nc1cccc(F)n1)c1ccc(Cl)cc1 ZINC000042415706 525717929 /nfs/dbraw/zinc/71/79/29/525717929.db2.gz PRENWBUADYAPIG-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN C[C@@H](Nc1cccc(F)c1N)c1ccc(Cl)cc1 ZINC000049524979 525718605 /nfs/dbraw/zinc/71/86/05/525718605.db2.gz JKPVWUMLEUAZMP-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826583 525746005 /nfs/dbraw/zinc/74/60/05/525746005.db2.gz CPVWDYAYRMKAHY-GHMZBOCLSA-N 0 0 265.303 4.278 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2N)cc1 ZINC000049555309 525751536 /nfs/dbraw/zinc/75/15/36/525751536.db2.gz DXRMAXIFPVYHIV-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccccc2[C@H](C)O)s1 ZINC000049542557 525751623 /nfs/dbraw/zinc/75/16/23/525751623.db2.gz SBKCIVUCIRXDDE-NEPJUHHUSA-N 0 0 261.390 4.283 10 0 CIAERN Cc1ccc([C@@H](O)[C@H]2CCCc3ccccc32)cc1 ZINC000054669419 525781890 /nfs/dbraw/zinc/78/18/90/525781890.db2.gz INBNXKPPTBRHMA-ZWKOTPCHSA-N 0 0 252.357 4.149 10 0 CIAERN C[C@H](O)c1cnc(-c2cccc3ccccc32)s1 ZINC000054439519 525864026 /nfs/dbraw/zinc/86/40/26/525864026.db2.gz GXADBGYSDMADKL-JTQLQIEISA-N 0 0 255.342 4.017 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2F)c(Cl)c1 ZINC000061697420 525869463 /nfs/dbraw/zinc/86/94/63/525869463.db2.gz LUBZYRPLKSYHOM-MRVPVSSYSA-N 0 0 284.689 4.464 10 0 CIAERN Cc1ccc(Br)c2c(=O)c(C(C)C)c(C)[nH]c12 ZINC000061688213 525983280 /nfs/dbraw/zinc/98/32/80/525983280.db2.gz QEVQCFNLIXLDJQ-UHFFFAOYSA-N 0 0 294.192 4.031 10 0 CIAERN C[C@H](c1ccc(Cl)s1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601122 526054048 /nfs/dbraw/zinc/05/40/48/526054048.db2.gz GMCQDDOWJILDTL-MXWKQRLJSA-N 0 0 283.824 4.049 10 0 CIAERN Cc1ccc2c(Nc3ccc(N(C)C)cc3)cc(C)nc2n1 ZINC000054672169 526135477 /nfs/dbraw/zinc/13/54/77/526135477.db2.gz FXSWMXJQICBKFP-UHFFFAOYSA-N 0 0 292.386 4.056 10 0 CIAERN Cc1ccc(C(=O)c2oc3cc(F)ccc3c2C)s1 ZINC000062749432 526242052 /nfs/dbraw/zinc/24/20/52/526242052.db2.gz SCUTYTPMDZCYSC-UHFFFAOYSA-N 0 0 274.316 4.481 10 0 CIAERN C[C@H]1CCCC[C@H]1OCc1ccc(Cl)cc1N ZINC000050443567 526263238 /nfs/dbraw/zinc/26/32/38/526263238.db2.gz IUYVCQWOLRVXIH-IINYFYTJSA-N 0 0 253.773 4.018 10 0 CIAERN O[C@H](COc1ccccc1)c1cccc(Cl)c1Cl ZINC000055204537 526293065 /nfs/dbraw/zinc/29/30/65/526293065.db2.gz DIPHDCQQMXMKNI-CYBMUJFWSA-N 0 0 283.154 4.106 10 0 CIAERN O[C@H](Cc1ccc(Cl)s1)c1ccc(Cl)cc1F ZINC000062785603 526296100 /nfs/dbraw/zinc/29/61/00/526296100.db2.gz MABQRBDWYQZCAY-LLVKDONJSA-N 0 0 291.174 4.470 10 0 CIAERN Fc1cc(F)c(F)c(NCc2ccccc2Cl)c1 ZINC000061095332 526305303 /nfs/dbraw/zinc/30/53/03/526305303.db2.gz HAKFQFOVGICTGE-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN Fc1ccc(-c2ccc3c(c2)CCCN3)c(F)c1F ZINC000061837690 526313932 /nfs/dbraw/zinc/31/39/32/526313932.db2.gz AAXGSDOGRDLQCM-UHFFFAOYSA-N 0 0 263.262 4.129 10 0 CIAERN Fc1ccc(C(F)(F)F)cc1NCc1ccco1 ZINC000062655402 526326102 /nfs/dbraw/zinc/32/61/02/526326102.db2.gz VMBSPFNGYGZADE-UHFFFAOYSA-N 0 0 259.202 4.050 10 0 CIAERN Fc1ccc(Oc2nnc(Cl)c3ccccc32)cc1 ZINC000050528736 526358837 /nfs/dbraw/zinc/35/88/37/526358837.db2.gz DLUXNIZTNYTEJT-UHFFFAOYSA-N 0 0 274.682 4.215 10 0 CIAERN Cc1nnc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000226568511 526373159 /nfs/dbraw/zinc/37/31/59/526373159.db2.gz ZHNAMNZEAPTSES-LURJTMIESA-N 0 0 288.203 4.326 10 0 CIAERN Fc1cccc(-c2cc3ncnc(Cl)c3s2)c1F ZINC000054210384 526379819 /nfs/dbraw/zinc/37/98/19/526379819.db2.gz JYBUBGOXEDPIMZ-UHFFFAOYSA-N 0 0 282.702 4.290 10 0 CIAERN Fc1cccc(-c2nc(Cl)c3ccc(F)cc3n2)c1 ZINC000062772568 526381160 /nfs/dbraw/zinc/38/11/60/526381160.db2.gz XSTQVWWXJRAVRX-UHFFFAOYSA-N 0 0 276.673 4.228 10 0 CIAERN S=c1[nH]c2cc(Cl)ccc2n1Cc1ccsc1 ZINC000063153468 526387171 /nfs/dbraw/zinc/38/71/71/526387171.db2.gz UWNXLZJICPETLB-UHFFFAOYSA-N 0 0 280.805 4.462 10 0 CIAERN Cc1nc(-c2ccc(C)cc2)sc1Br ZINC000057556002 526567292 /nfs/dbraw/zinc/56/72/92/526567292.db2.gz VGFJGUMIRYRSEG-UHFFFAOYSA-N 0 0 268.179 4.189 10 0 CIAERN c1nc2cc(-c3nc4cc5ccccc5cc4[nH]3)ccc2[nH]1 ZINC000059352958 526608276 /nfs/dbraw/zinc/60/82/76/526608276.db2.gz HKVOQLCJPDIMDF-UHFFFAOYSA-N 0 0 284.322 4.259 10 0 CIAERN Cc1nc(C)c([C@@H](C)Nc2ccc(Cl)cc2N)s1 ZINC000049533785 526747515 /nfs/dbraw/zinc/74/75/15/526747515.db2.gz XPMQEOSYNNLYCI-MRVPVSSYSA-N 0 0 281.812 4.169 10 0 CIAERN Clc1cc(Cl)c(NCc2cncnc2)c(Cl)c1 ZINC000054767209 526928218 /nfs/dbraw/zinc/92/82/18/526928218.db2.gz ZMUFJVRPKPUVBZ-UHFFFAOYSA-N 0 0 288.565 4.049 10 0 CIAERN Clc1ccc(-c2nc(Cl)cc(Cl)n2)cc1 ZINC000058048980 526933896 /nfs/dbraw/zinc/93/38/96/526933896.db2.gz GFMYIEIPQDGPCN-UHFFFAOYSA-N 0 0 259.523 4.104 10 0 CIAERN O=C1CCCCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703792 526970912 /nfs/dbraw/zinc/97/09/12/526970912.db2.gz JBGSBTFATPYKQT-GFCCVEGCSA-N 0 0 272.266 4.202 10 0 CIAERN O=C1CCCc2nc(-c3ccc(Cl)s3)sc21 ZINC000050329784 526985979 /nfs/dbraw/zinc/98/59/79/526985979.db2.gz JYDAFTMHFSJMQX-UHFFFAOYSA-N 0 0 269.778 4.044 10 0 CIAERN Clc1nc(CSc2ccccn2)nc2sccc21 ZINC000050841062 527004065 /nfs/dbraw/zinc/00/40/65/527004065.db2.gz KZCDOSMBNZTZCD-UHFFFAOYSA-N 0 0 293.804 4.032 10 0 CIAERN Clc1nc2ccccc2c(N2CCCCCCC2)n1 ZINC000052811438 527007474 /nfs/dbraw/zinc/00/74/74/527007474.db2.gz ODLMEVHPYBSIEE-UHFFFAOYSA-N 0 0 275.783 4.054 10 0 CIAERN Cc1nc2cc(N)ccc2n1-c1cc(Cl)ccc1Cl ZINC000052842819 527122035 /nfs/dbraw/zinc/12/20/35/527122035.db2.gz QFORQIXJBUZARC-UHFFFAOYSA-N 0 0 292.169 4.223 10 0 CIAERN Cc1nc2ccccc2nc1N[C@H](C)c1cccs1 ZINC000044782127 527174222 /nfs/dbraw/zinc/17/42/22/527174222.db2.gz QENSNFXEJAFJSH-SNVBAGLBSA-N 0 0 269.373 4.173 10 0 CIAERN Nc1ccc2nc(Oc3cccc(Cl)c3)sc2c1 ZINC000063104876 527510780 /nfs/dbraw/zinc/51/07/80/527510780.db2.gz BUEKZOVUFOKUPT-UHFFFAOYSA-N 0 0 276.748 4.324 10 0 CIAERN OC1(Cc2c(F)cccc2Cl)CCCCCC1 ZINC000049346210 527511335 /nfs/dbraw/zinc/51/13/35/527511335.db2.gz WOZPVKZNPQCEJD-UHFFFAOYSA-N 0 0 256.748 4.107 10 0 CIAERN O[C@@H](Cc1cccc2ccccc21)CC1CCCC1 ZINC000062138232 527663784 /nfs/dbraw/zinc/66/37/84/527663784.db2.gz HPVNXLNYVFRKGC-QGZVFWFLSA-N 0 0 254.373 4.324 10 0 CIAERN Cc1nn(C)c(Cl)c1CS[C@@H]1CCC[C@H](C)C1 ZINC000054688822 527668070 /nfs/dbraw/zinc/66/80/70/527668070.db2.gz NZFBNOUNXCHBFR-GXSJLCMTSA-N 0 0 272.845 4.194 10 0 CIAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000087407028 527697739 /nfs/dbraw/zinc/69/77/39/527697739.db2.gz MVTQTNMBRISPOP-GFCCVEGCSA-N 0 0 257.381 4.025 10 0 CIAERN CCNc1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000226285025 535525091 /nfs/dbraw/zinc/52/50/91/535525091.db2.gz WJQWXMCKSCPKFR-LLVKDONJSA-N 0 0 252.789 4.151 10 0 CIAERN CCc1ccc(C(=O)CN2CCCc3cc(C)ccc32)s1 ZINC000035036693 536162442 /nfs/dbraw/zinc/16/24/42/536162442.db2.gz OOSWSVNYYVVOHZ-UHFFFAOYSA-N 0 0 299.439 4.254 10 0 CIAERN CN1C=C[C@H](c2c[nH]c3ccccc32)c2ccccc21 ZINC000196671780 536328749 /nfs/dbraw/zinc/32/87/49/536328749.db2.gz OFWGCVZLACWTLD-ZDUSSCGKSA-N 0 0 260.340 4.263 10 0 CIAERN CCC(C)(C)[C@@H]1CCc2nc(Cl)cc(C(=O)OC)c2C1 ZINC000725260185 567917107 /nfs/dbraw/zinc/91/71/07/567917107.db2.gz ODPILPUACZLMNW-SNVBAGLBSA-N 0 0 295.810 4.063 10 0 CIAERN CC(C)(C)Cc1nc2c(Br)cccc2cc1O ZINC000725267514 570263183 /nfs/dbraw/zinc/26/31/83/570263183.db2.gz MTMUKXWWAZUAKS-UHFFFAOYSA-N 0 0 294.192 4.292 10 0 CIAERN Nc1c(F)ccc(-c2ccc(Cl)c(F)c2)c1F ZINC000675056476 570364492 /nfs/dbraw/zinc/36/44/92/570364492.db2.gz KNKFOTXPLSDEMJ-UHFFFAOYSA-N 0 0 257.642 4.007 10 0 CIAERN Cc1c(Cl)nnc(-c2ccc(Cl)cc2)c1C ZINC000084025109 566977652 /nfs/dbraw/zinc/97/76/52/566977652.db2.gz SAXRONBXXUIZBQ-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN CCCC(=O)c1cc2cc(Br)ccc2o1 ZINC000083815261 567028308 /nfs/dbraw/zinc/02/83/08/567028308.db2.gz ZHWLAYPXEVDEAF-UHFFFAOYSA-N 0 0 267.122 4.178 10 0 CIAERN CC(C)CC(=O)c1cc2ccc(Br)cc2o1 ZINC000675081166 567028553 /nfs/dbraw/zinc/02/85/53/567028553.db2.gz KLPADLXOYKFXQD-UHFFFAOYSA-N 0 0 281.149 4.424 10 0 CIAERN c1ccn(-c2ccc3oc(Cc4ccccc4)nc3c2)c1 ZINC000226246593 567038595 /nfs/dbraw/zinc/03/85/95/567038595.db2.gz XQPDULQNTWDPGE-UHFFFAOYSA-N 0 0 274.323 4.209 10 0 CIAERN Nc1ccc2oc(/C=C/c3ccc(Cl)cc3)nc2c1 ZINC000226249894 567038782 /nfs/dbraw/zinc/03/87/82/567038782.db2.gz WUUNVHMNOQOSKC-FPYGCLRLSA-N 0 0 270.719 4.234 10 0 CIAERN CNc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000226271551 567039269 /nfs/dbraw/zinc/03/92/69/567039269.db2.gz VAWJMLARVRRUJN-UHFFFAOYSA-N 0 0 272.735 4.498 10 0 CIAERN CCNc1ccc2nc(-c3ccc(C)cc3)oc2c1 ZINC000226284135 567040755 /nfs/dbraw/zinc/04/07/55/567040755.db2.gz SESLCNVEBDQSOV-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN CCNc1ccc2oc(-c3ccc(CC)cc3)nc2c1 ZINC000226282431 567041314 /nfs/dbraw/zinc/04/13/14/567041314.db2.gz WDNXOPHETNHSJS-UHFFFAOYSA-N 0 0 266.344 4.489 10 0 CIAERN CCNc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000226285529 567041408 /nfs/dbraw/zinc/04/14/08/567041408.db2.gz SASWVAAAGLTEBW-UHFFFAOYSA-N 0 0 294.354 4.425 10 0 CIAERN C[C@H]1c2ccc3ccccc3c2C(=S)NC1(C)C ZINC000002475413 567145817 /nfs/dbraw/zinc/14/58/17/567145817.db2.gz JDVUKSSMSWCJSC-JTQLQIEISA-N 0 0 255.386 4.001 10 0 CIAERN CC[C@@H](Sc1ccc(Cl)c(Cl)c1)C(C)=O ZINC000616573984 567213644 /nfs/dbraw/zinc/21/36/44/567213644.db2.gz WJVIYCLEILGPQP-LLVKDONJSA-N 0 0 263.189 4.453 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)/C=C\c2ccccc2)c(C)c1 ZINC000012340220 567862776 /nfs/dbraw/zinc/86/27/76/567862776.db2.gz XDTGECWVKSCXDL-DMIOIOJGSA-N 0 0 279.383 4.194 10 0 CIAERN CC(C)=CCC/C(C)=C/CS(=O)(=O)c1ccc(C)cc1 ZINC000033977051 567887114 /nfs/dbraw/zinc/88/71/14/567887114.db2.gz YPBZFJKZSDUEID-NTCAYCPXSA-N 0 0 292.444 4.461 10 0 CIAERN CC(=O)c1ccc(OCc2ccccc2)c2ncccc12 ZINC000034140576 567887136 /nfs/dbraw/zinc/88/71/36/567887136.db2.gz DWSIKCNONKHROY-UHFFFAOYSA-N 0 0 277.323 4.016 10 0 in-vitro CIAERN CC(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000036922933 567889676 /nfs/dbraw/zinc/88/96/76/567889676.db2.gz HSLTXCVJWGIWIS-UHFFFAOYSA-N 0 0 274.747 4.358 10 0 in-vitro CIAERN Cc1cc2sc(-c3ccc(C)c(N)c3)nc2c(C)c1 ZINC000073635421 567892976 /nfs/dbraw/zinc/89/29/76/567892976.db2.gz QTENKWPIRVACGP-UHFFFAOYSA-N 0 0 268.385 4.471 10 0 CIAERN Cc1cc2[nH]c(Cc3ccc(Cl)cc3)nc2c(C)c1 ZINC000073638845 567893703 /nfs/dbraw/zinc/89/37/03/567893703.db2.gz YGIMSXJLUXWPJX-UHFFFAOYSA-N 0 0 270.763 4.424 10 0 CIAERN O=C1CC[C@H](Sc2ccc(Cl)cc2Cl)C1 ZINC000306169362 567893931 /nfs/dbraw/zinc/89/39/31/567893931.db2.gz DDCULTRMGZROGR-VIFPVBQESA-N 0 0 261.173 4.207 10 0 CIAERN Clc1ccc2c(Br)ccc(Cl)c2n1 ZINC000070055042 567901515 /nfs/dbraw/zinc/90/15/15/567901515.db2.gz AIQTVPVFULTIPN-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN CC(C)c1nsc(CSCC[Si](C)(C)C)n1 ZINC000725244760 567908246 /nfs/dbraw/zinc/90/82/46/567908246.db2.gz AXHIJMGBASVSGI-UHFFFAOYSA-N 0 0 274.531 4.233 10 0 CIAERN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C2CC2)cc1 ZINC000095347578 567908999 /nfs/dbraw/zinc/90/89/99/567908999.db2.gz OOLVDDHJQZDXQB-LLVKDONJSA-N 0 0 261.365 4.150 10 0 CIAERN COCCC1(CCNc2ccccc2)CCCCC1 ZINC000725266902 567923773 /nfs/dbraw/zinc/92/37/73/567923773.db2.gz LWWVGPIPFFFYCG-UHFFFAOYSA-N 0 0 261.409 4.476 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2cccnc2Cl)n1 ZINC000725269787 567924465 /nfs/dbraw/zinc/92/44/65/567924465.db2.gz DJXAHWLTNANQIG-UHFFFAOYSA-N 0 0 271.698 4.117 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2ccccc2F)n1 ZINC000725270405 567924707 /nfs/dbraw/zinc/92/47/07/567924707.db2.gz MDYNUEILASSEHN-UHFFFAOYSA-N 0 0 254.255 4.208 10 0 CIAERN CC[C@H](C)Cc1nc2cc(CC(C)C)cc(Cl)n2n1 ZINC000725248240 570256143 /nfs/dbraw/zinc/25/61/43/570256143.db2.gz PHAQDAYXSFNSAB-NSHDSACASA-N 0 0 279.815 4.170 10 0 CIAERN CC(C)c1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000116602846 570265549 /nfs/dbraw/zinc/26/55/49/570265549.db2.gz MFRZZRZKZOFFLU-UHFFFAOYSA-N 0 0 271.147 4.008 10 0 CIAERN O=C1CCC[C@H](Sc2cccc(Br)c2)C1 ZINC000082818465 570349693 /nfs/dbraw/zinc/34/96/93/570349693.db2.gz GZUBGJCSIMJBNK-LBPRGKRZSA-N 0 0 285.206 4.053 10 0 CIAERN CCCCc1cc(Br)sc1C(=O)OCC ZINC000675057667 570364837 /nfs/dbraw/zinc/36/48/37/570364837.db2.gz HTGKWODDKKIDPD-UHFFFAOYSA-N 0 0 291.210 4.030 10 0 CIAERN CC(C)c1nn(C)cc1-c1ccc(Cl)cc1F ZINC000675070454 570366612 /nfs/dbraw/zinc/36/66/12/570366612.db2.gz ZCWJYBLJHHVCTJ-UHFFFAOYSA-N 0 0 252.720 4.003 10 0 CIAERN CC(C)c1nn(C)cc1-c1cccc(Cl)c1F ZINC000675070201 570366568 /nfs/dbraw/zinc/36/65/68/570366568.db2.gz RCLIAXAEWQYMJZ-UHFFFAOYSA-N 0 0 252.720 4.003 10 0 CIAERN CCCCCCCCCCCC[C@@H](C(=O)[O-])[N+](C)(C)C ZINC000102266472 717145854 /nfs/dbraw/zinc/14/58/54/717145854.db2.gz LVBSECZFJBGOCR-INIZCTEOSA-O 0 0 286.480 4.457 10 0 CIAERN CCCCC[C@H]1CC(=O)c2cc(Cl)ccc2O1 ZINC000095552805 185008158 /nfs/dbraw/zinc/00/81/58/185008158.db2.gz AWOIMUAXBUEJBE-NSHDSACASA-N 0 0 252.741 4.254 10 0 CIAERN CC(C)c1ccc(OC2CC2)c(Br)c1 ZINC000095723922 185020437 /nfs/dbraw/zinc/02/04/37/185020437.db2.gz ZALJUHAQUWBFIK-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN CON[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1C ZINC000095725567 185021699 /nfs/dbraw/zinc/02/16/99/185021699.db2.gz MDMSGCWGXZTYLY-HNNXBMFYSA-N 0 0 295.304 4.254 10 0 CIAERN CCCCCCNc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501696 178066205 /nfs/dbraw/zinc/06/62/05/178066205.db2.gz RRRRHZLMFQRPJO-UHFFFAOYSA-N 0 0 281.709 4.141 10 0 CIAERN Fc1ccc(COc2cccc(Br)c2)c(F)c1 ZINC000095915313 185030611 /nfs/dbraw/zinc/03/06/11/185030611.db2.gz KLPFNJOFBXWOSQ-UHFFFAOYSA-N 0 0 299.114 4.306 10 0 CIAERN COc1ccc(Cl)cc1C(=O)c1ccc(F)c(Cl)c1 ZINC000095916301 185030699 /nfs/dbraw/zinc/03/06/99/185030699.db2.gz XDPFNLUGSADCEG-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN Fc1cc(F)cc(OCc2ccc(Br)cc2)c1 ZINC000095915356 185031037 /nfs/dbraw/zinc/03/10/37/185031037.db2.gz ZVYOUNNKTUMDRL-UHFFFAOYSA-N 0 0 299.114 4.306 10 0 CIAERN FC1=CC(c2ccccc2)=C[C@H](F)[C@@]1(F)Br ZINC000095932688 185032268 /nfs/dbraw/zinc/03/22/68/185032268.db2.gz UGNJLKZSUIIXBP-JQWIXIFHSA-N 0 0 289.094 4.336 10 0 CIAERN FC1=CC(c2ccccc2)=C[C@@H](F)[C@@]1(F)Br ZINC000095932689 185032686 /nfs/dbraw/zinc/03/26/86/185032686.db2.gz UGNJLKZSUIIXBP-PWSUYJOCSA-N 0 0 289.094 4.336 10 0 CIAERN Cc1cccc(-c2ncsc2-c2ccnc(C)c2)c1 ZINC000095935432 185033727 /nfs/dbraw/zinc/03/37/27/185033727.db2.gz YFOTWMUPZQEHAQ-UHFFFAOYSA-N 0 0 266.369 4.489 10 0 CIAERN CCC(CC)[C@@H](C)Nc1ccc(Br)cc1N ZINC000082630775 178141030 /nfs/dbraw/zinc/14/10/30/178141030.db2.gz IYYBTYMLTVHQIB-SECBINFHSA-N 0 0 285.229 4.268 10 0 CIAERN Brc1ccccc1-c1ncc2ccccc2n1 ZINC000096028902 185067728 /nfs/dbraw/zinc/06/77/28/185067728.db2.gz CVCQEEBVELXMON-UHFFFAOYSA-N 0 0 285.144 4.059 10 0 CIAERN CCNc1ccc(Br)c2ccccc12 ZINC000082726314 178242448 /nfs/dbraw/zinc/24/24/48/178242448.db2.gz LQMXOXPQQOALFO-UHFFFAOYSA-N 0 0 250.139 4.034 10 0 CIAERN FC(F)(F)Oc1ccc2nc(Cl)cc(Cl)c2c1 ZINC000082788873 178294229 /nfs/dbraw/zinc/29/42/29/178294229.db2.gz NCAZOZJPUFLVKJ-UHFFFAOYSA-N 0 0 282.048 4.440 10 0 CIAERN COc1cc(Cl)cc2cc(C(=O)c3ccccc3)oc21 ZINC000083160633 178345273 /nfs/dbraw/zinc/34/52/73/178345273.db2.gz QOXSBGVGVQGGTJ-UHFFFAOYSA-N 0 0 286.714 4.326 10 0 CIAERN COC(=O)c1nc(C)sc1-c1ccc(C(C)C)cc1 ZINC000083239228 178366137 /nfs/dbraw/zinc/36/61/37/178366137.db2.gz OPRRAKVJNBHNHZ-UHFFFAOYSA-N 0 0 275.373 4.029 10 0 CIAERN Clc1ccccc1NCc1ccc2cc[nH]c2c1 ZINC000083418018 178426055 /nfs/dbraw/zinc/42/60/55/178426055.db2.gz NSZCLOUODIBTDE-UHFFFAOYSA-N 0 0 256.736 4.433 10 0 CIAERN CCc1cc(N[C@@H](c2ccc(F)cc2)C2CC2)nc(C)n1 ZINC000302041180 529560110 /nfs/dbraw/zinc/56/01/10/529560110.db2.gz IATMETNJCVFCMZ-QGZVFWFLSA-N 0 0 285.366 4.050 10 0 CIAERN C[C@@H]1C[C@H](C)CN(c2c(Cl)cc(N)cc2Cl)C1 ZINC000226316432 136386927 /nfs/dbraw/zinc/38/69/27/136386927.db2.gz JFUGRCHOPKQXED-DTORHVGOSA-N 0 0 273.207 4.058 10 0 CIAERN CC1=CCC[C@@H](C)[C@@]1(O)C1(Sc2ccccc2)CC1 ZINC000097758233 185663123 /nfs/dbraw/zinc/66/31/23/185663123.db2.gz KHADRTWMROCUEB-RHSMWYFYSA-N 0 0 274.429 4.419 10 0 CIAERN COc1ccc(OCc2cccc3ccccc32)cc1 ZINC000098177864 185697804 /nfs/dbraw/zinc/69/78/04/185697804.db2.gz LBCUADAZARABIP-UHFFFAOYSA-N 0 0 264.324 4.427 10 0 CIAERN Clc1ss/c(=N/c2ccccc2)c1Cl ZINC000100391077 185714098 /nfs/dbraw/zinc/71/40/98/185714098.db2.gz CMBODUXJSUWGNV-FMIVXFBMSA-N 0 0 262.186 4.349 10 0 CIAERN Clc1ccccc1C[C@H]1CCc2ccccc2N1 ZINC000086668702 179317289 /nfs/dbraw/zinc/31/72/89/179317289.db2.gz JALXRIDNLDQZDD-CQSZACIVSA-N 0 0 257.764 4.309 10 0 CIAERN CCCCCC[C@H](C)n1c(Cl)nnc1CCC ZINC000103928944 185863625 /nfs/dbraw/zinc/86/36/25/185863625.db2.gz WEQFGRIMEVRRLQ-NSHDSACASA-N 0 0 257.809 4.415 10 0 CIAERN CCCCN(c1ccc2scnc2c1N)[C@@H](C)CC ZINC000103934923 185863754 /nfs/dbraw/zinc/86/37/54/185863754.db2.gz LJBWHXVGNQQIAX-NSHDSACASA-N 0 0 277.437 4.284 10 0 CIAERN CCC1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000103952916 185867826 /nfs/dbraw/zinc/86/78/26/185867826.db2.gz VAOIXRPCWZHUSV-UHFFFAOYSA-N 0 0 272.310 4.493 10 0 CIAERN CC(C)(C)O[C@H]1CCCCCCCCCC[C@@H]1O ZINC000103983029 185875160 /nfs/dbraw/zinc/87/51/60/185875160.db2.gz DKDUMUUCMIQIKI-GJZGRUSLSA-N 0 0 256.430 4.446 10 0 CIAERN CCCCCC[C@H](C)O[C@@H]1CCCCCC[C@@H]1O ZINC000103981401 185873890 /nfs/dbraw/zinc/87/38/90/185873890.db2.gz PYURSJBUZQYNTL-HRCADAONSA-N 0 0 256.430 4.446 10 0 CIAERN Clc1ccccc1NCCn1ccc2ccccc21 ZINC000104002607 185879862 /nfs/dbraw/zinc/87/98/62/185879862.db2.gz LSTJWWIEHINYNK-UHFFFAOYSA-N 0 0 270.763 4.407 10 0 CIAERN OC1(CNc2cc(Cl)ccc2Cl)CCCCCC1 ZINC000104019388 185883903 /nfs/dbraw/zinc/88/39/03/185883903.db2.gz LMCYIWDLFDALHZ-UHFFFAOYSA-N 0 0 288.218 4.491 10 0 CIAERN CCCNc1cc(C(C)C)nc2c(F)c(F)ccc12 ZINC000103998789 185878679 /nfs/dbraw/zinc/87/86/79/185878679.db2.gz DZXXFVJAWGHRGV-UHFFFAOYSA-N 0 0 264.319 4.458 10 0 CIAERN CCOc1cccc(N[C@H](C)c2ccccc2Cl)n1 ZINC000104112881 185897412 /nfs/dbraw/zinc/89/74/12/185897412.db2.gz HNCRCEDZVDXNBR-LLVKDONJSA-N 0 0 276.767 4.307 10 0 CIAERN CCc1c(Cl)nc(-c2ccc(N(C)C)cc2)nc1Cl ZINC000104126448 185900249 /nfs/dbraw/zinc/90/02/49/185900249.db2.gz SKXNBBAZKHQOOC-UHFFFAOYSA-N 0 0 296.201 4.079 10 0 CIAERN Cc1c(Cl)nc(-c2ccc(F)c(F)c2)nc1Cl ZINC000104137511 185907238 /nfs/dbraw/zinc/90/72/38/185907238.db2.gz ZRLRXBCSMIBWSA-UHFFFAOYSA-N 0 0 275.085 4.037 10 0 CIAERN Fc1cc(-n2c3ccccc3[nH]c2=S)ccc1Cl ZINC000104155164 185912935 /nfs/dbraw/zinc/91/29/35/185912935.db2.gz DBERWDFZKKBJKC-UHFFFAOYSA-N 0 0 278.739 4.107 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Cn1c2cccc(F)c2[nH]c1=S ZINC000104158750 185913260 /nfs/dbraw/zinc/91/32/60/185913260.db2.gz NGNIHJCIMQINQV-GHMZBOCLSA-N 0 0 278.396 4.290 10 0 CIAERN CC(C)c1c(Cl)ncnc1OC[C@@H]1CC=CC[C@@H]1C ZINC000104206931 185931246 /nfs/dbraw/zinc/93/12/46/185931246.db2.gz DGVFWYNBAQJTNX-RYUDHWBXSA-N 0 0 280.799 4.235 10 0 CIAERN CCCc1c(Cl)ncnc1OC1CCC(C)CC1 ZINC000104219754 185934283 /nfs/dbraw/zinc/93/42/83/185934283.db2.gz SRDCXIWWSARGBG-UHFFFAOYSA-N 0 0 268.788 4.040 10 0 CIAERN COc1cc(Cl)c(C)cc1Nc1ncnc(Cl)c1C ZINC000104219806 185934683 /nfs/dbraw/zinc/93/46/83/185934683.db2.gz IKWNFIUZQVLCQV-UHFFFAOYSA-N 0 0 298.173 4.152 10 0 CIAERN CCCc1c(Cl)ncnc1Nc1ccc(F)cc1F ZINC000104229441 185937137 /nfs/dbraw/zinc/93/71/37/185937137.db2.gz IPCZHLXMDOMXJW-UHFFFAOYSA-N 0 0 283.709 4.104 10 0 CIAERN CCCc1c(Cl)ncnc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000104221425 185935299 /nfs/dbraw/zinc/93/52/99/185935299.db2.gz MCYVLUWUZMQPDB-WCQYABFASA-N 0 0 281.831 4.097 10 0 CIAERN CN(c1ccccc1F)c1ccc(N)cc1C(F)F ZINC000104224629 185936055 /nfs/dbraw/zinc/93/60/55/185936055.db2.gz IHWACUQKWKHWCP-UHFFFAOYSA-N 0 0 266.266 4.113 10 0 CIAERN CCOc1cc(Sc2cc(F)ccc2F)ccc1N ZINC000104240142 185941187 /nfs/dbraw/zinc/94/11/87/185941187.db2.gz HLCMGZYBPLISFO-UHFFFAOYSA-N 0 0 281.327 4.097 10 0 CIAERN CCOc1cc(SCc2ccccc2C)ccc1N ZINC000104246677 185942488 /nfs/dbraw/zinc/94/24/88/185942488.db2.gz XJPDGHIYZXLURI-UHFFFAOYSA-N 0 0 273.401 4.268 10 0 CIAERN COc1cc(Oc2cccc(C(C)C)c2)ccc1N ZINC000104249375 185942596 /nfs/dbraw/zinc/94/25/96/185942596.db2.gz GQDILQOZZIONND-UHFFFAOYSA-N 0 0 257.333 4.193 10 0 CIAERN CC(C)Nc1cc(NC(=O)OC(C)(C)C)c(N)cc1Cl ZINC000089194844 179750270 /nfs/dbraw/zinc/75/02/70/179750270.db2.gz NBGGIMGIDJFPDI-UHFFFAOYSA-N 0 0 299.802 4.090 10 0 CIAERN CCOC(CCSc1ccc2c(c1)CCC2)OCC ZINC000104346077 185977696 /nfs/dbraw/zinc/97/76/96/185977696.db2.gz QPZQVILOHUCGJK-UHFFFAOYSA-N 0 0 280.433 4.057 10 0 CIAERN CC[C@H]1CCCC[C@H]1n1nc(C)c(Br)c1C ZINC000104382365 185986985 /nfs/dbraw/zinc/98/69/85/185986985.db2.gz XNDCDBOSCXNTGA-NWDGAFQWSA-N 0 0 285.229 4.404 10 0 CIAERN C[C@@H](CC(=O)Cc1nc2ccccc2s1)C(C)(C)C ZINC000104439254 186002393 /nfs/dbraw/zinc/00/23/93/186002393.db2.gz SCIMKKQIUGNGHA-NSHDSACASA-N 0 0 275.417 4.480 10 0 CIAERN O=Cc1cccc(-c2ccc(C(F)(F)F)cc2F)c1 ZINC000090669350 180019945 /nfs/dbraw/zinc/01/99/45/180019945.db2.gz FCWWGQWDQDDBAY-UHFFFAOYSA-N 0 0 268.209 4.324 10 0 CIAERN COc1cc(C(F)(F)F)ccc1-c1ccc(C=O)cc1 ZINC000090669131 180020230 /nfs/dbraw/zinc/02/02/30/180020230.db2.gz SDKOVBWRQTVONQ-UHFFFAOYSA-N 0 0 280.245 4.194 10 0 CIAERN CC(C)(C)c1cc(CO)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000090727604 180032969 /nfs/dbraw/zinc/03/29/69/180032969.db2.gz MDKVUHNOAHQRLK-SFHVURJKSA-N 0 0 298.382 4.084 10 0 CIAERN CC(COC1(Cl)N=N1)(c1ccccc1)c1ccccc1 ZINC000090766040 180038149 /nfs/dbraw/zinc/03/81/49/180038149.db2.gz XDEFFDWZAWDHHV-UHFFFAOYSA-N 0 0 286.762 4.325 10 0 CIAERN FC(F)(F)Sc1cc(Cl)ncc1C(F)(F)F ZINC000091252777 180114860 /nfs/dbraw/zinc/11/48/60/180114860.db2.gz ACZJHZRSWVWAKZ-UHFFFAOYSA-N 0 0 281.608 4.366 10 0 CIAERN CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1ccc(C)cc1 ZINC000091691389 180227378 /nfs/dbraw/zinc/22/73/78/180227378.db2.gz AVNRTOQICQHUKZ-UHFFFAOYSA-N 0 0 297.329 4.459 10 0 CIAERN CC(C)(C)c1ccc(N2[C@@H]3CCC[C@H]2CC(=O)C3)cc1 ZINC000005138155 535116716 /nfs/dbraw/zinc/11/67/16/535116716.db2.gz NJTKAAUQNNSUSZ-IYBDPMFKSA-N 0 0 271.404 4.075 10 0 CIAERN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000106260446 186106071 /nfs/dbraw/zinc/10/60/71/186106071.db2.gz TVNNOWLOHHOREE-MJHDQNEOSA-N 0 0 255.764 4.147 10 0 CIAERN C[C@H](Cc1cccs1)Nc1ccc(N)cc1Cl ZINC000110459938 186297608 /nfs/dbraw/zinc/29/76/08/186297608.db2.gz VYWSIBHUGYPHIW-SECBINFHSA-N 0 0 266.797 4.027 10 0 CIAERN CCCCc1ccc([C@H](O)c2cccc(C)c2)cc1 ZINC000109787072 186272855 /nfs/dbraw/zinc/27/28/55/186272855.db2.gz CCBPXCKNMJCLNS-SFHVURJKSA-N 0 0 254.373 4.419 10 0 CIAERN Cc1cc(-c2nc3ccccc3[nH]2)ccc1Br ZINC000137657561 187900230 /nfs/dbraw/zinc/90/02/30/187900230.db2.gz TWKBJNJFKHRYIO-UHFFFAOYSA-N 0 0 287.160 4.301 10 0 CIAERN CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/Cc1ccccc1 ZINC000147176922 187912529 /nfs/dbraw/zinc/91/25/29/187912529.db2.gz UZMJANYKMJFFBM-NYUWMOHMSA-N 0 0 287.403 4.185 10 0 CIAERN O=C1Nc2ccccc2S[C@@H]1c1ccc(Cl)cc1 ZINC000145770445 187912771 /nfs/dbraw/zinc/91/27/71/187912771.db2.gz VJMFPDRFASUGBG-CYBMUJFWSA-N 0 0 275.760 4.126 10 0 CIAERN FC(F)c1cccc(C(F)F)c1Br ZINC000149395746 187921165 /nfs/dbraw/zinc/92/11/65/187921165.db2.gz UPWRSDCIZCMBCK-UHFFFAOYSA-N 0 0 257.024 4.324 10 0 CIAERN CC(C)(CNc1noc2ccccc21)c1ccccc1 ZINC000169328882 188658953 /nfs/dbraw/zinc/65/89/53/188658953.db2.gz GTSKFZRBVBRULH-UHFFFAOYSA-N 0 0 266.344 4.218 10 0 CIAERN CCOc1ccc(N[C@@H](C)c2cncs2)c(C)c1 ZINC000164942392 261362446 /nfs/dbraw/zinc/36/24/46/261362446.db2.gz PRCVTLSSBHTJAS-NSHDSACASA-N 0 0 262.378 4.023 10 0 CIAERN CCOc1cc(C)ccc1N[C@H](C)c1cncs1 ZINC000165695485 261375850 /nfs/dbraw/zinc/37/58/50/261375850.db2.gz PBSTWTBCTQXGBP-LLVKDONJSA-N 0 0 262.378 4.023 10 0 CIAERN Cc1sc(=Nc2ccccc2)n(-c2ccccc2)c1C ZINC000254593564 189995357 /nfs/dbraw/zinc/99/53/57/189995357.db2.gz RUCKOWVOYOVYNK-UHFFFAOYSA-N 0 0 280.396 4.388 10 0 CIAERN CC(C)Oc1c(C=O)ccc(-c2ccc(F)cc2)c1F ZINC000261506919 190039619 /nfs/dbraw/zinc/03/96/19/190039619.db2.gz CJVHEPGVIYEAHN-UHFFFAOYSA-N 0 0 276.282 4.232 10 0 CIAERN O=C(c1c[nH]c2ccc(Cl)cc12)C(Cl)(Cl)Cl ZINC000261507112 190039710 /nfs/dbraw/zinc/03/97/10/190039710.db2.gz FKTAHKYLKLQFDF-UHFFFAOYSA-N 0 0 296.968 4.374 10 0 CIAERN Cc1csc(=Nc2ccc(F)c(Cl)c2)n1C(C)C ZINC000000089917 169532539 /nfs/dbraw/zinc/53/25/39/169532539.db2.gz OLNCSJXZPSYDQC-UHFFFAOYSA-O 0 0 285.795 4.461 10 0 CIAERN Clc1ccc(Nc2nc(C3CC3)cs2)cc1 ZINC000000108758 169539150 /nfs/dbraw/zinc/53/91/50/169539150.db2.gz ZFBCAPDBULKKPX-UHFFFAOYSA-N 0 0 250.754 4.418 10 0 aggregator CIAERN O=Cc1sc2ccccc2c1CCc1ccccc1 ZINC000002578747 184528162 /nfs/dbraw/zinc/52/81/62/184528162.db2.gz GPYFUXVNRQURCL-UHFFFAOYSA-N 0 0 266.365 4.499 10 0 CIAERN Cc1nc(-c2ccc(NC3CCCC3)cc2)cs1 ZINC000020008004 184535348 /nfs/dbraw/zinc/53/53/48/184535348.db2.gz QQDZBSIVWFUTPP-UHFFFAOYSA-N 0 0 258.390 4.473 10 0 CIAERN Fc1cccc(F)c1Nc1nc2ccccc2s1 ZINC000020586238 184535826 /nfs/dbraw/zinc/53/58/26/184535826.db2.gz FUWIGQVZKQYSKD-UHFFFAOYSA-N 0 0 262.284 4.318 10 0 CIAERN CC[C@H]1CCCC[C@H]1Nc1ccc(OC)c(F)c1 ZINC000070977845 184572314 /nfs/dbraw/zinc/57/23/14/184572314.db2.gz UAMKZWZQAVAOLN-SMDDNHRTSA-N 0 0 251.345 4.215 10 0 CIAERN CCSC1=NC2(CCCCC2)[C@H]2CCCC[C@H]2O1 ZINC000000500818 169657351 /nfs/dbraw/zinc/65/73/51/169657351.db2.gz XNCCGUSFNFNFPN-QWHCGFSZSA-N 0 0 267.438 4.387 10 0 CIAERN CC[C@@H](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000188055381 262148088 /nfs/dbraw/zinc/14/80/88/262148088.db2.gz JRVFRDAUXXFDOV-NEPJUHHUSA-N 0 0 267.800 4.296 10 0 CIAERN COc1cccc([C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000226293320 256785329 /nfs/dbraw/zinc/78/53/29/256785329.db2.gz YXPJEDVHONLAKH-FQEVSTJZSA-N 0 0 290.362 4.444 10 0 CIAERN Nc1ccc2c(c1)N(Cc1c(F)cccc1Cl)CCC2 ZINC000032148171 134765457 /nfs/dbraw/zinc/76/54/57/134765457.db2.gz ZSEJFSOIGPEBMI-UHFFFAOYSA-N 0 0 290.769 4.014 10 0 CIAERN C[C@H]1c2ccsc2CCN1c1cccc(Cl)c1CO ZINC000042772725 134896696 /nfs/dbraw/zinc/89/66/96/134896696.db2.gz GZRHSXAOJIXYSM-JTQLQIEISA-N 0 0 293.819 4.018 10 0 CIAERN Cc1ccccc1[C@@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC000171521204 335068470 /nfs/dbraw/zinc/06/84/70/335068470.db2.gz FMFIEVFABFZYOY-GFCCVEGCSA-N 0 0 289.325 4.424 10 0 CIAERN CC(C)=CCOc1ccc(Br)cc1C ZINC000071136821 176036157 /nfs/dbraw/zinc/03/61/57/176036157.db2.gz SFGOVGAZYWGARJ-UHFFFAOYSA-N 0 0 255.155 4.103 10 0 CIAERN C[C@@H]1CCc2c(sc3ncnc(NC(C)(C)C)c23)C1 ZINC000001972853 169765453 /nfs/dbraw/zinc/76/54/53/169765453.db2.gz XQGQZPMRCZSBML-SECBINFHSA-N 0 0 275.421 4.027 10 0 CIAERN CCCCC[C@@H]1[C@H](C)C1(Br)Br ZINC000002144943 169776892 /nfs/dbraw/zinc/77/68/92/169776892.db2.gz LNIYJPDSCQXEEQ-JGVFFNPUSA-N 0 0 284.035 4.319 10 0 CIAERN CCCCC(=O)Nc1nc2c(ccc(Cl)c2C)s1 ZINC000004331265 169958567 /nfs/dbraw/zinc/95/85/67/169958567.db2.gz VBWBXOLHEXDWCR-UHFFFAOYSA-N 0 0 282.796 4.387 10 0 CIAERN CCCCC(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC000004331268 169958599 /nfs/dbraw/zinc/95/85/99/169958599.db2.gz PUVHBEJZQLWGHT-UHFFFAOYSA-N 0 0 282.796 4.387 10 0 CIAERN CC(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 ZINC000004853460 170030469 /nfs/dbraw/zinc/03/04/69/170030469.db2.gz HZIYJENFXOPSFC-UHFFFAOYSA-N 0 0 283.162 4.045 10 0 CIAERN COc1ccc2sc(Nc3cccc(C)c3)nc2c1 ZINC000005087619 170065301 /nfs/dbraw/zinc/06/53/01/170065301.db2.gz SCMNGEPEGHPFKQ-UHFFFAOYSA-N 0 0 270.357 4.357 10 0 CIAERN O=C(Nc1cccs1)Nc1ccccc1Br ZINC000005135499 170069327 /nfs/dbraw/zinc/06/93/27/170069327.db2.gz XLASUFKQVNWOBA-UHFFFAOYSA-N 0 0 297.177 4.155 10 0 CIAERN Cc1cc2nc(NC(=O)c3cccs3)sc2cc1C ZINC000005152379 170071374 /nfs/dbraw/zinc/07/13/74/170071374.db2.gz GMZHCACVLCCUNJ-UHFFFAOYSA-N 0 0 288.397 4.227 10 0 CIAERN Cn1c2cnccc2c2ccc(Cl)c(Cl)c21 ZINC000005161578 170072222 /nfs/dbraw/zinc/07/22/22/170072222.db2.gz XGTYSLIGRKUXED-UHFFFAOYSA-N 0 0 251.116 4.033 10 0 CIAERN Cn1cc(CC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000005331233 170086293 /nfs/dbraw/zinc/08/62/93/170086293.db2.gz HVFJQFWGMVIKLP-UHFFFAOYSA-N 0 0 283.758 4.257 10 0 CIAERN Clc1ccc(Nc2ccc3ccccc3c2)nn1 ZINC000005332358 170086582 /nfs/dbraw/zinc/08/65/82/170086582.db2.gz VEWVNDQHKLUSTM-UHFFFAOYSA-N 0 0 255.708 4.027 10 0 CIAERN c1ccc2c(c1)nccc2-c1ccnc2ccccc21 ZINC000005332212 170086599 /nfs/dbraw/zinc/08/65/99/170086599.db2.gz MVWFINKRIQNHGG-UHFFFAOYSA-N 0 0 256.308 4.450 10 0 CIAERN O=C(c1ccco1)[C@H](Nc1ccccc1)c1ccccc1 ZINC000005331966 170086701 /nfs/dbraw/zinc/08/67/01/170086701.db2.gz JSGFUOIVMKNPBW-QGZVFWFLSA-N 0 0 277.323 4.316 10 0 CIAERN CC(C)c1ccccc1OCc1ccc(C(N)=S)cc1 ZINC000005592557 170117248 /nfs/dbraw/zinc/11/72/48/170117248.db2.gz YRZRZUAKJJNGRT-UHFFFAOYSA-N 0 0 285.412 4.023 10 0 CIAERN Cc1cc(OCc2ccc(C(N)=S)cc2)ccc1C(C)C ZINC000005592561 170117420 /nfs/dbraw/zinc/11/74/20/170117420.db2.gz OKSBLYAQMORQTO-UHFFFAOYSA-N 0 0 299.439 4.332 10 0 CIAERN Clc1cccc(Cl)c1OCCCCn1ccnc1 ZINC000005694988 170129807 /nfs/dbraw/zinc/12/98/07/170129807.db2.gz JJCGXHFAUJIZHW-UHFFFAOYSA-N 0 0 285.174 4.049 10 0 CIAERN Cc1ccc(OCCC(=O)Nc2cccc(C)c2C)cc1 ZINC000005704075 170130918 /nfs/dbraw/zinc/13/09/18/170130918.db2.gz BEYHMDYPFYIEAX-UHFFFAOYSA-N 0 0 283.371 4.019 10 0 CIAERN O=C(CSCc1ccccc1)c1ccc(Cl)cc1 ZINC000005773862 170139395 /nfs/dbraw/zinc/13/93/95/170139395.db2.gz SZFDJIAWFRURCF-UHFFFAOYSA-N 0 0 276.788 4.456 10 0 CIAERN CCCC[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000005793103 170140879 /nfs/dbraw/zinc/14/08/79/170140879.db2.gz WDSGOKXSGOZRSJ-QGZVFWFLSA-N 0 0 254.373 4.370 10 0 CIAERN CCCCc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000005832417 170145143 /nfs/dbraw/zinc/14/51/43/170145143.db2.gz NEEHHGCSOUSERQ-UHFFFAOYSA-N 0 0 277.371 4.481 10 0 CIAERN CCCOC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005951957 170161496 /nfs/dbraw/zinc/16/14/96/170161496.db2.gz TYNCSMCCAIBEQF-UHFFFAOYSA-N 0 0 285.343 4.224 10 0 CIAERN Cc1ccccc1-c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000006071959 170174359 /nfs/dbraw/zinc/17/43/59/170174359.db2.gz AOBQVORYICVDOJ-UHFFFAOYSA-N 0 0 269.735 4.101 10 0 CIAERN Fc1cc(Cl)ccc1-n1nc2c(c1Cl)CCCC2 ZINC000006092006 170175187 /nfs/dbraw/zinc/17/51/87/170175187.db2.gz YXLSKCJEXMHMIV-UHFFFAOYSA-N 0 0 285.149 4.197 10 0 CIAERN O=C(c1ccccc1)[C@@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000006116176 170176782 /nfs/dbraw/zinc/17/67/82/170176782.db2.gz DNNDHIKCLIZHBH-HKUYNNGSSA-N 0 0 296.366 4.154 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2CCC[C@H](C)C2)cc1 ZINC000006253382 170185820 /nfs/dbraw/zinc/18/58/20/170185820.db2.gz ICLMLXFVRGKQCO-SHQCLWGWSA-N 0 0 271.404 4.082 10 0 CIAERN Cc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1 ZINC000006272548 170187486 /nfs/dbraw/zinc/18/74/86/170187486.db2.gz GTMYTYSVTCLUKF-ZHACJKMWSA-N 0 0 273.420 4.149 10 0 CIAERN O=C(/C=C/c1cccc(Cl)c1)Nc1cccnc1Cl ZINC000006330892 170192488 /nfs/dbraw/zinc/19/24/88/170192488.db2.gz VCFFODPGOZTXGZ-VOTSOKGWSA-N 0 0 293.153 4.040 10 0 CIAERN CC(C)c1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000006346857 170194264 /nfs/dbraw/zinc/19/42/64/170194264.db2.gz GVXAYJWZJNGTHE-ZDUSSCGKSA-N 0 0 283.375 4.088 10 0 CIAERN O=C(Nc1ccccc1-n1cccc1)c1ccc(Cl)cc1 ZINC000006392651 170197799 /nfs/dbraw/zinc/19/77/99/170197799.db2.gz GZRPXQVYKFZUQY-UHFFFAOYSA-N 0 0 296.757 4.383 10 0 CIAERN CC(C)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006563965 170213771 /nfs/dbraw/zinc/21/37/71/170213771.db2.gz RTERGKLTASIYKY-UHFFFAOYSA-N 0 0 298.169 4.392 10 0 CIAERN Nc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2o1 ZINC000006727776 170233626 /nfs/dbraw/zinc/23/36/26/170233626.db2.gz OULAGSUBTLXWNB-UHFFFAOYSA-N 0 0 279.126 4.384 10 0 CIAERN CC(C)(C)c1cc(C(=O)Nc2ccccc2Cl)ccn1 ZINC000006882979 170252854 /nfs/dbraw/zinc/25/28/54/170252854.db2.gz KECBNJVPQXRGEU-UHFFFAOYSA-N 0 0 288.778 4.285 10 0 CIAERN CC(C)(C)c1cc(C(=O)Nc2cccc(Cl)c2)ccn1 ZINC000006882970 170252996 /nfs/dbraw/zinc/25/29/96/170252996.db2.gz WBDDLKGSAMRYFU-UHFFFAOYSA-N 0 0 288.778 4.285 10 0 CIAERN CC(C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2)c1 ZINC000007220663 170272390 /nfs/dbraw/zinc/27/23/90/170272390.db2.gz RJCAFLJBEMLEQN-CQSZACIVSA-N 0 0 282.387 4.249 10 0 CIAERN CC(C)(C)OC(=O)Nc1cc(Cl)ccc1Cl ZINC000007610512 170293542 /nfs/dbraw/zinc/29/35/42/170293542.db2.gz VQXFKPLJVRPRCX-UHFFFAOYSA-N 0 0 262.136 4.340 10 0 CIAERN Cc1ccc(OCCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000007610199 170293756 /nfs/dbraw/zinc/29/37/56/170293756.db2.gz BPSHNJIYEHFNJF-UHFFFAOYSA-N 0 0 283.371 4.019 10 0 CIAERN Cc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C ZINC000007644720 170295474 /nfs/dbraw/zinc/29/54/74/170295474.db2.gz ISTSBYZKYGARHN-ZDUSSCGKSA-N 0 0 287.790 4.448 10 0 CIAERN CCCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000007660325 170296583 /nfs/dbraw/zinc/29/65/83/170296583.db2.gz RQNBYVXPBWMMHB-UHFFFAOYSA-N 0 0 289.762 4.381 10 0 CIAERN Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 ZINC000007668915 170296870 /nfs/dbraw/zinc/29/68/70/170296870.db2.gz HLBPQHNIASMLRI-UHFFFAOYSA-N 0 0 269.344 4.035 10 0 CIAERN Cc1ccc(C)c(-c2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000007723602 170299159 /nfs/dbraw/zinc/29/91/59/170299159.db2.gz MBXXGGCTCRPNCD-UHFFFAOYSA-N 0 0 288.416 4.412 10 0 CIAERN COc1ccc(-c2nc(NCC(C)C)sc2C)cc1 ZINC000007844334 170304966 /nfs/dbraw/zinc/30/49/66/170304966.db2.gz OYSYQIXXDVBTHV-UHFFFAOYSA-N 0 0 276.405 4.195 10 0 CIAERN Nc1ccc(-c2cc3cc(Br)ccc3o2)cc1 ZINC000008419211 170335797 /nfs/dbraw/zinc/33/57/97/170335797.db2.gz YCIJKCOLDBIXOX-UHFFFAOYSA-N 0 0 288.144 4.445 10 0 CIAERN O=C(NC1CCCCC1)c1ccc(-c2cccs2)cc1 ZINC000008514739 170338750 /nfs/dbraw/zinc/33/87/50/170338750.db2.gz GOIGLJSYQVQJCA-UHFFFAOYSA-N 0 0 285.412 4.478 10 0 CIAERN Cc1ccc(NC(=O)c2cc3cc(F)ccc3nc2C)cc1 ZINC000008550247 170339827 /nfs/dbraw/zinc/33/98/27/170339827.db2.gz MMFLUWQQOQXLQI-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN Cc1ccc(-c2nnc(COc3ccc(Cl)cc3)[nH]2)cc1 ZINC000008550625 170339914 /nfs/dbraw/zinc/33/99/14/170339914.db2.gz HJYKQVPQNQMKRI-UHFFFAOYSA-N 0 0 299.761 4.013 10 0 CIAERN CC(C)c1cccc2sc(NC(=O)c3ccco3)nc21 ZINC000008736893 170352725 /nfs/dbraw/zinc/35/27/25/170352725.db2.gz BGNYXCJPWCYHTE-UHFFFAOYSA-N 0 0 286.356 4.265 10 0 CIAERN CCOc1cccc2cc(C(=O)Nc3ccccc3F)oc21 ZINC000008960897 170359891 /nfs/dbraw/zinc/35/98/91/170359891.db2.gz GQNRKYTXSARGJL-UHFFFAOYSA-N 0 0 299.301 4.223 10 0 CIAERN CC(C)C(=O)Nc1nc2c(cccc2C(C)C)s1 ZINC000008967604 170360073 /nfs/dbraw/zinc/36/00/73/170360073.db2.gz SGFAJGBODRUTBV-UHFFFAOYSA-N 0 0 262.378 4.014 10 0 CIAERN Cc1cc(C=O)c(C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009246037 170368237 /nfs/dbraw/zinc/36/82/37/170368237.db2.gz SRNAOBAZDNJVLF-UHFFFAOYSA-N 0 0 282.170 4.273 10 0 CIAERN Fc1ccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]32)cc1 ZINC000009331086 170372215 /nfs/dbraw/zinc/37/22/15/170372215.db2.gz VYXWNIZYJSGXNA-XIRDDKMYSA-N 0 0 269.319 4.070 10 0 CIAERN O=C(CCCSc1ccccc1)Nc1ccc(F)cc1 ZINC000009473387 170377927 /nfs/dbraw/zinc/37/79/27/170377927.db2.gz OACFANVTSHVLJU-UHFFFAOYSA-N 0 0 289.375 4.337 10 0 CIAERN CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000010287550 170403059 /nfs/dbraw/zinc/40/30/59/170403059.db2.gz RHKOTKJFXPICMC-AWEZNQCLSA-N 0 0 283.371 4.425 10 0 CIAERN CC(C)(C)c1ccc(C[C@H](CO)c2ccccc2)cc1 ZINC000011734245 170436398 /nfs/dbraw/zinc/43/63/98/170436398.db2.gz CQMFQKDLOZIZBP-QGZVFWFLSA-N 0 0 268.400 4.303 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1nc(Cl)nc2ccccc21 ZINC000011756456 170439257 /nfs/dbraw/zinc/43/92/57/170439257.db2.gz VPXUTJPQSGRPBN-JQWIXIFHSA-N 0 0 275.783 4.274 10 0 CIAERN O=C(Oc1ccc(/C=C/c2ccccn2)cc1)c1ccco1 ZINC000011858820 170448895 /nfs/dbraw/zinc/44/88/95/170448895.db2.gz NJDMNTAPGMAPNI-RMKNXTFCSA-N 0 0 291.306 4.064 10 0 CIAERN CC(C)Cc1ccc([C@@H](C)C(=O)N2CCCCCC2)cc1 ZINC000012027235 170467687 /nfs/dbraw/zinc/46/76/87/170467687.db2.gz AQOURYJNHQYLTM-MRXNPFEDSA-N 0 0 287.447 4.391 10 0 CIAERN Oc1ccc2c(c1)onc2-c1cccc2ccc(O)cc21 ZINC000012353758 170478334 /nfs/dbraw/zinc/47/83/34/170478334.db2.gz UNFXWFVOAYBQPC-UHFFFAOYSA-N 0 0 277.279 4.059 10 0 CIAERN Cc1c(O)ccc2cc(-c3ccc(O)cc3)ccc12 ZINC000013645024 170572317 /nfs/dbraw/zinc/57/23/17/170572317.db2.gz FGIUXCLAHODWKV-UHFFFAOYSA-N 0 0 250.297 4.226 10 0 in-vivo CIAERN COc1ccc2oc(-c3ccc(N(C)C)cc3)cc2c1 ZINC000013686352 170578266 /nfs/dbraw/zinc/57/82/66/170578266.db2.gz KKKKLHNEZMGUPC-UHFFFAOYSA-N 0 0 267.328 4.174 10 0 in-vivo CIAERN CCCCCNC(=S)Nc1cccc(Cl)c1Cl ZINC000013818900 170597765 /nfs/dbraw/zinc/59/77/65/170597765.db2.gz UDZJRFIWOWMIPN-UHFFFAOYSA-N 0 0 291.247 4.470 10 0 CIAERN Cc1cc(C)c(NC(=O)OCc2ccccc2)c(C)c1 ZINC000014000741 170615258 /nfs/dbraw/zinc/61/52/58/170615258.db2.gz OLTKCVOXELJCPZ-UHFFFAOYSA-N 0 0 269.344 4.361 10 0 CIAERN CCc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000014388565 170632918 /nfs/dbraw/zinc/63/29/18/170632918.db2.gz AIQJGKWCFSXZCD-LBPRGKRZSA-N 0 0 287.790 4.393 10 0 CIAERN CO[C@@H](CCc1ccccc1)CC(=O)CCc1ccccc1 ZINC000015121942 170657942 /nfs/dbraw/zinc/65/79/42/170657942.db2.gz PVYORFBABSDDNC-FQEVSTJZSA-N 0 0 296.410 4.226 10 0 endogenous,in-man CIAERN O=C(Nc1ccncc1)Nc1ccc(Cl)cc1Cl ZINC000015952025 170683138 /nfs/dbraw/zinc/68/31/38/170683138.db2.gz LVOFJMJBDXPNCX-UHFFFAOYSA-N 0 0 282.130 4.032 10 0 CIAERN C[C@H](NC(=O)Nc1ccccc1)c1cccc(Cl)c1 ZINC000018174661 170745218 /nfs/dbraw/zinc/74/52/18/170745218.db2.gz QDUAZWSRLYIQQN-NSHDSACASA-N 0 0 274.751 4.223 10 0 CIAERN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N ZINC000019386036 170779444 /nfs/dbraw/zinc/77/94/44/170779444.db2.gz IDBCVYWZEFXJJD-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1c(N)cccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000019403752 170786132 /nfs/dbraw/zinc/78/61/32/170786132.db2.gz LNPSVGKQHIHSQW-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1sc2nc(-c3ccncc3)nc(Cl)c2c1C ZINC000019412650 170790458 /nfs/dbraw/zinc/79/04/58/170790458.db2.gz KHIFGUKETTZHOC-UHFFFAOYSA-N 0 0 275.764 4.024 10 0 CIAERN c1cc(-c2cccc(-c3cncc4ccccc43)c2)n[nH]1 ZINC000019789828 170867186 /nfs/dbraw/zinc/86/71/86/170867186.db2.gz XBZHUZNYTNCBPC-UHFFFAOYSA-N 0 0 271.323 4.292 10 0 CIAERN Cc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1N ZINC000019803645 170873223 /nfs/dbraw/zinc/87/32/23/170873223.db2.gz WEBFAUQSSKDECL-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1cc(C(N)=S)ccn1 ZINC000019805960 170874675 /nfs/dbraw/zinc/87/46/75/170874675.db2.gz IDMZBFWHHYEERI-NSHDSACASA-N 0 0 286.400 4.022 10 0 CIAERN CCOc1cc(C=O)ccc1OCc1ccc(CC)s1 ZINC000019806588 170875594 /nfs/dbraw/zinc/87/55/94/170875594.db2.gz PFEJTARGETZUJV-UHFFFAOYSA-N 0 0 290.384 4.101 10 0 CIAERN Nc1ccc(Sc2cc(Cl)ccc2Cl)cn1 ZINC000019869346 170899910 /nfs/dbraw/zinc/89/99/10/170899910.db2.gz UHXARTDUDHTCJM-UHFFFAOYSA-N 0 0 271.172 4.122 10 0 CIAERN CC(=O)c1cc(F)ccc1O[C@H](C)c1ccccc1 ZINC000019871300 170901868 /nfs/dbraw/zinc/90/18/68/170901868.db2.gz YAQGNGNFENZXMN-GFCCVEGCSA-N 0 0 258.292 4.168 10 0 CIAERN C[C@H](Nc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000019884333 170909016 /nfs/dbraw/zinc/90/90/16/170909016.db2.gz YOADNXUJNQJUPM-JTQLQIEISA-N 0 0 266.266 4.274 10 0 CIAERN C[C@H](Nc1ccccc1C(F)(F)F)c1ccncc1 ZINC000019905203 170916969 /nfs/dbraw/zinc/91/69/69/170916969.db2.gz YKMAFVSONCKVMU-JTQLQIEISA-N 0 0 266.266 4.274 10 0 CIAERN COc1ccc(OC)c([C@@H](C)Nc2cc(F)ccc2F)c1 ZINC000019907859 170919931 /nfs/dbraw/zinc/91/99/31/170919931.db2.gz QOTOAXVAXDPJKB-SNVBAGLBSA-N 0 0 293.313 4.155 10 0 CIAERN COc1ccc([C@@H](C)Nc2cc(F)ccc2F)cc1F ZINC000019907932 170920009 /nfs/dbraw/zinc/92/00/09/170920009.db2.gz CMZCQXLVDWWMOB-SECBINFHSA-N 0 0 281.277 4.286 10 0 CIAERN FC(F)(F)c1cc(Cl)ccc1NCc1ccccn1 ZINC000019910813 170921533 /nfs/dbraw/zinc/92/15/33/170921533.db2.gz NCYJNRRIFZBAEH-UHFFFAOYSA-N 0 0 286.684 4.366 10 0 CIAERN CCc1ccc(N[C@H](C)c2ccc(O)c(OC)c2)cc1 ZINC000019955434 170941290 /nfs/dbraw/zinc/94/12/90/170941290.db2.gz ISCFSAIYPKMLTN-GFCCVEGCSA-N 0 0 271.360 4.136 10 0 CIAERN Cc1ccc(C)c(N[C@@H]2CCOc3ccccc32)c1 ZINC000019964675 170945950 /nfs/dbraw/zinc/94/59/50/170945950.db2.gz DUQXGXDCPRMKOJ-OAHLLOKOSA-N 0 0 253.345 4.239 10 0 CIAERN Cc1cc(F)ccc1NCc1cc2ccccc2o1 ZINC000019998678 170964729 /nfs/dbraw/zinc/96/47/29/170964729.db2.gz UNSTUXZBECRJIN-UHFFFAOYSA-N 0 0 255.292 4.492 10 0 CIAERN Cc1ccc(C(C)C)c(OCc2ccc(C(N)=S)cc2)c1 ZINC000020001899 170966075 /nfs/dbraw/zinc/96/60/75/170966075.db2.gz CMBGCKCRLXJSDJ-UHFFFAOYSA-N 0 0 299.439 4.332 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1C(C)=O ZINC000020005906 170967293 /nfs/dbraw/zinc/96/72/93/170967293.db2.gz AYUJCBQNCBMXHD-DOMZBBRYSA-N 0 0 264.340 4.376 10 0 CIAERN FC(F)(F)c1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000020009858 170968560 /nfs/dbraw/zinc/96/85/60/170968560.db2.gz ORWANACXECJJLL-LLVKDONJSA-N 0 0 255.283 4.474 10 0 CIAERN CCC[C@@H](C)CNc1cc(OC)c(Cl)cc1OC ZINC000020015891 170969770 /nfs/dbraw/zinc/96/97/70/170969770.db2.gz LSQXIYGAJKBAOJ-SNVBAGLBSA-N 0 0 271.788 4.205 10 0 CIAERN CCc1ccc(CNc2ccc(F)c(F)c2F)s1 ZINC000020044908 170977005 /nfs/dbraw/zinc/97/70/05/170977005.db2.gz DNODNXCHRSZAOX-UHFFFAOYSA-N 0 0 271.307 4.340 10 0 CIAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccccc2C)c(C)s1 ZINC000020126373 171010113 /nfs/dbraw/zinc/01/01/13/171010113.db2.gz FJESHLLHNJGQPN-NWDGAFQWSA-N 0 0 274.433 4.480 10 0 CIAERN CCN(Cc1ccc(N)cc1Cl)c1cccc(C)c1 ZINC000020192805 171058971 /nfs/dbraw/zinc/05/89/71/171058971.db2.gz PPKPFHCXZMKUPD-UHFFFAOYSA-N 0 0 274.795 4.257 10 0 CIAERN Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1N ZINC000020195059 171060678 /nfs/dbraw/zinc/06/06/78/171060678.db2.gz ACXAYZZSVXRBII-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1ccc(C)c(NCc2ccc3ccccc3n2)c1 ZINC000020246338 171099109 /nfs/dbraw/zinc/09/91/09/171099109.db2.gz XANRUXOIOTZNOL-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN COC(=O)c1ccc(CSc2cc(C)ccc2C)cc1 ZINC000020297746 171137469 /nfs/dbraw/zinc/13/74/69/171137469.db2.gz CGLGGYFKOWGQAU-UHFFFAOYSA-N 0 0 286.396 4.382 10 0 CIAERN COC(=O)c1ccc(COc2ccc(Cl)cc2C)cc1 ZINC000020297806 171138094 /nfs/dbraw/zinc/13/80/94/171138094.db2.gz WFVJUFMEPFTHEY-UHFFFAOYSA-N 0 0 290.746 4.014 10 0 CIAERN Cc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccccc1 ZINC000020301416 171139083 /nfs/dbraw/zinc/13/90/83/171139083.db2.gz FICWQTJSJZUNPC-GFCCVEGCSA-N 0 0 288.778 4.088 10 0 CIAERN Cc1cccc(C(=O)Nc2cccc(C(C)C)c2)c1O ZINC000020362205 171160577 /nfs/dbraw/zinc/16/05/77/171160577.db2.gz BGXCRSZSKFHFSO-UHFFFAOYSA-N 0 0 269.344 4.076 10 0 CIAERN COc1ccc2c(C)c(C(=O)c3ccc(C)s3)oc2c1 ZINC000020362334 171160924 /nfs/dbraw/zinc/16/09/24/171160924.db2.gz HPTQBZPFWAKYKD-UHFFFAOYSA-N 0 0 286.352 4.351 10 0 CIAERN Cc1cc(C=O)cc(C)c1OC/C=C/c1ccccc1 ZINC000020363189 171162233 /nfs/dbraw/zinc/16/22/33/171162233.db2.gz SMHFOLJFZLTWDU-RMKNXTFCSA-N 0 0 266.340 4.208 10 0 CIAERN N[C@H](c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000020369156 171167134 /nfs/dbraw/zinc/16/71/34/171167134.db2.gz OTHWHGSKMWNTAQ-HNNXBMFYSA-N 0 0 291.272 4.500 10 0 CIAERN N[C@@H](c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000020369159 171167160 /nfs/dbraw/zinc/16/71/60/171167160.db2.gz OTHWHGSKMWNTAQ-OAHLLOKOSA-N 0 0 291.272 4.500 10 0 CIAERN Cc1ccc(N[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000020371371 171168375 /nfs/dbraw/zinc/16/83/75/171168375.db2.gz HYQXHSDOTCGYMV-CQSZACIVSA-N 0 0 257.308 4.070 10 0 CIAERN Nc1ccc(NC2CCCCCCC2)c(Cl)c1 ZINC000020382811 171173243 /nfs/dbraw/zinc/17/32/43/171173243.db2.gz QXXBBRGPXJWGBY-UHFFFAOYSA-N 0 0 252.789 4.447 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2ccc(Br)cc2N)[C@@H]1C ZINC000020383407 171174429 /nfs/dbraw/zinc/17/44/29/171174429.db2.gz MRFGTTPPCFHXFG-BREBYQMCSA-N 0 0 297.240 4.268 10 0 CIAERN CC1CCC(Nc2ccc(Br)cc2N)CC1 ZINC000020384234 171175069 /nfs/dbraw/zinc/17/50/69/171175069.db2.gz KHNSRAVFHAGTPS-UHFFFAOYSA-N 0 0 283.213 4.022 10 0 CIAERN Cc1ccc2cc([C@@H](N)c3ccc(Cl)cc3)oc2c1 ZINC000020389302 171177964 /nfs/dbraw/zinc/17/79/64/171177964.db2.gz ZKXYUPPUYOWCHJ-INIZCTEOSA-N 0 0 271.747 4.443 10 0 CIAERN COC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000020391434 171180214 /nfs/dbraw/zinc/18/02/14/171180214.db2.gz JJQCNRYKPSJKSW-UHFFFAOYSA-N 0 0 296.244 4.284 10 0 CIAERN Cc1cc(CO)cc(C)c1OCc1ccc(Cl)s1 ZINC000020425040 171191463 /nfs/dbraw/zinc/19/14/63/171191463.db2.gz LLORTKQIRBTIAG-UHFFFAOYSA-N 0 0 282.792 4.090 10 0 CIAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1cccc(O)c1 ZINC000020429811 171195118 /nfs/dbraw/zinc/19/51/18/171195118.db2.gz NOPNFGMOQCCGGV-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN CC(C)C[C@H](C)Nc1ccc(F)cc1Br ZINC000020430533 171195504 /nfs/dbraw/zinc/19/55/04/171195504.db2.gz YDGQWSJVRAYUGF-VIFPVBQESA-N 0 0 274.177 4.435 10 0 CIAERN Fc1ccc(NCCc2ccccc2)c(Br)c1 ZINC000020430589 171195620 /nfs/dbraw/zinc/19/56/20/171195620.db2.gz SNVJVFJMVGIDNB-UHFFFAOYSA-N 0 0 294.167 4.243 10 0 CIAERN CCN(c1ccccc1C)c1cccc(Cl)c1CO ZINC000020434956 171200670 /nfs/dbraw/zinc/20/06/70/171200670.db2.gz NPDCFASIGPJNFE-UHFFFAOYSA-N 0 0 275.779 4.299 10 0 CIAERN OCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000020435092 171200827 /nfs/dbraw/zinc/20/08/27/171200827.db2.gz VUQLFEGYNVDCTH-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN Cc1ccc(C)c(Oc2cccc(Cl)c2CO)c1 ZINC000020435367 171201219 /nfs/dbraw/zinc/20/12/19/171201219.db2.gz NGPWXSPXMOIKPY-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN FC(F)(F)c1cccc(Cl)c1N[C@H]1CCSC1 ZINC000020443014 171205835 /nfs/dbraw/zinc/20/58/35/171205835.db2.gz VWSAUJOGDXHYIO-ZETCQYMHSA-N 0 0 281.730 4.276 10 0 CIAERN FC(F)(F)CNc1c(Cl)cccc1C(F)(F)F ZINC000020443491 171205937 /nfs/dbraw/zinc/20/59/37/171205937.db2.gz ZYTIRQSCOMWVEN-UHFFFAOYSA-N 0 0 277.595 4.333 10 0 CIAERN C[C@H](Nc1cccc(Cl)c1F)c1ccncc1 ZINC000020472366 171215081 /nfs/dbraw/zinc/21/50/81/171215081.db2.gz MTHZSTNWHPFHCN-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN Fc1cccc(F)c1CNc1cccc(Cl)c1F ZINC000020472470 171215485 /nfs/dbraw/zinc/21/54/85/171215485.db2.gz LBDJQYGBMIPDMX-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN Cc1nc([C@@H](C)Nc2c(F)cccc2F)c(C)s1 ZINC000020475990 171220002 /nfs/dbraw/zinc/22/00/02/171220002.db2.gz QFSQMBCWBAOUHF-SSDOTTSWSA-N 0 0 268.332 4.211 10 0 CIAERN CCCCN(CCCC)c1ccc(F)cc1C(C)=O ZINC000020485700 171225188 /nfs/dbraw/zinc/22/51/88/171225188.db2.gz TYHHIINHMRRNHQ-UHFFFAOYSA-N 0 0 265.372 4.435 10 0 CIAERN CCNc1c(Cl)cc(Br)cc1Cl ZINC000020505587 171228478 /nfs/dbraw/zinc/22/84/78/171228478.db2.gz HGWLYDIWHGEHGF-UHFFFAOYSA-N 0 0 268.969 4.188 10 0 CIAERN Clc1cc(Cl)c(NC[C@@H]2CCCO2)c(Cl)c1 ZINC000020505400 171228556 /nfs/dbraw/zinc/22/85/56/171228556.db2.gz PBIXJIMKQPOHLX-QMMMGPOBSA-N 0 0 280.582 4.238 10 0 CIAERN C[C@@H]1C[C@H](Oc2ccc(C=O)cc2F)CC(C)(C)C1 ZINC000020517143 171232655 /nfs/dbraw/zinc/23/26/55/171232655.db2.gz FMQGJHAQKHEOEJ-YPMHNXCESA-N 0 0 264.340 4.232 10 0 CIAERN CC(=O)c1ccccc1O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000020516901 171232836 /nfs/dbraw/zinc/23/28/36/171232836.db2.gz VSRONJKKUNEHSI-JSGCOSHPSA-N 0 0 260.377 4.483 10 0 CIAERN CC(=O)c1cc(F)ccc1OC[C@@H]1CC=CC[C@@H]1C ZINC000020519278 171233454 /nfs/dbraw/zinc/23/34/54/171233454.db2.gz OJVZAUGBMVQBGX-AAEUAGOBSA-N 0 0 262.324 4.009 10 0 CIAERN C[C@@H]1CC=CC[C@@H]1COc1cccc(Cl)c1C=O ZINC000020519336 171233593 /nfs/dbraw/zinc/23/35/93/171233593.db2.gz VESMIGJZWUXOSW-VXGBXAGGSA-N 0 0 264.752 4.134 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020524302 171237427 /nfs/dbraw/zinc/23/74/27/171237427.db2.gz ZJGBEBWRRPRWJM-JTQLQIEISA-N 0 0 275.314 4.321 10 0 CIAERN CC1(C)CC[C@@H](Nc2cccnc2)c2ccccc21 ZINC000020525531 171238124 /nfs/dbraw/zinc/23/81/24/171238124.db2.gz NRQABKDPZGRXNC-MRXNPFEDSA-N 0 0 252.361 4.306 10 0 CIAERN C[C@H](CCc1ccccc1)Nc1cc(F)ccc1F ZINC000020545057 171242832 /nfs/dbraw/zinc/24/28/32/171242832.db2.gz VHBHMVJMWJARAF-GFCCVEGCSA-N 0 0 261.315 4.398 10 0 CIAERN Oc1cccc(CNc2cccc(Cl)c2Cl)c1 ZINC000020546337 171244074 /nfs/dbraw/zinc/24/40/74/171244074.db2.gz COBKCTHQPPPXGP-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C ZINC000020548461 171245280 /nfs/dbraw/zinc/24/52/80/171245280.db2.gz ODFDVUJDBZAEKS-CKYFFXLPSA-N 0 0 283.213 4.081 10 0 CIAERN COc1ccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)cn1 ZINC000020548069 171245493 /nfs/dbraw/zinc/24/54/93/171245493.db2.gz VOWCEOGSTXJWHS-KBPBESRZSA-N 0 0 262.397 4.107 10 0 CIAERN C[C@@H](CCc1ccc(O)cc1)Nc1cccc(Cl)c1 ZINC000020552565 171247712 /nfs/dbraw/zinc/24/77/12/171247712.db2.gz MTRVUMUXOPANPG-LBPRGKRZSA-N 0 0 275.779 4.479 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1ccc2c(c1)OCCCO2 ZINC000020552412 171247778 /nfs/dbraw/zinc/24/77/78/171247778.db2.gz XIZGKSAXQCKJDC-KGLIPLIRSA-N 0 0 277.408 4.475 10 0 CIAERN C[C@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000020552772 171248062 /nfs/dbraw/zinc/24/80/62/171248062.db2.gz VIUGALRMFQNMTM-CABZTGNLSA-N 0 0 273.298 4.245 10 0 CIAERN COc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1 ZINC000020557753 171250763 /nfs/dbraw/zinc/25/07/63/171250763.db2.gz KQCHRTAOSREJQN-GXTWGEPZSA-N 0 0 277.408 4.331 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000020559585 171250952 /nfs/dbraw/zinc/25/09/52/171250952.db2.gz RTGBEEPRRDXGFZ-NSHDSACASA-N 0 0 291.297 4.490 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000020559583 171251221 /nfs/dbraw/zinc/25/12/21/171251221.db2.gz RTGBEEPRRDXGFZ-LLVKDONJSA-N 0 0 291.297 4.490 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc2c(c1)OCCO2 ZINC000020560653 171251910 /nfs/dbraw/zinc/25/19/10/171251910.db2.gz HMXQJNUACAYJEH-IMJJTQAJSA-N 0 0 289.419 4.331 10 0 CIAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(N)cc1Cl ZINC000020563199 171252741 /nfs/dbraw/zinc/25/27/41/171252741.db2.gz RMBKQRBLCRHXQV-GWCFXTLKSA-N 0 0 253.773 4.270 10 0 CIAERN S=c1[nH]c2ccccc2n1CCc1cccs1 ZINC000020584463 171258046 /nfs/dbraw/zinc/25/80/46/171258046.db2.gz HCCHBYUKEXLXLX-UHFFFAOYSA-N 0 0 260.387 4.003 10 0 CIAERN Nc1cc(F)ccc1Nc1ccc(Cl)cc1Cl ZINC000020584962 171258074 /nfs/dbraw/zinc/25/80/74/171258074.db2.gz JDNAFJSJAVSYBV-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN CSc1cccc(Nc2c(N)cccc2Cl)c1 ZINC000020584660 171258191 /nfs/dbraw/zinc/25/81/91/171258191.db2.gz UXSTXJXWHWJJDC-UHFFFAOYSA-N 0 0 264.781 4.388 10 0 CIAERN Nc1ccc(Nc2ccc(Cl)cc2Cl)c(F)c1 ZINC000020584956 171258373 /nfs/dbraw/zinc/25/83/73/171258373.db2.gz DETYCXJKGAZYQB-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1cc(Br)ccc1Nc1ccc(F)c(F)c1 ZINC000020585455 171258600 /nfs/dbraw/zinc/25/86/00/171258600.db2.gz SZQBAMOXOVMVLD-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN CSc1ccc(Nc2ccc(N)cc2Cl)cc1 ZINC000020585093 171258771 /nfs/dbraw/zinc/25/87/71/171258771.db2.gz NVBOAHFCLVUJBH-UHFFFAOYSA-N 0 0 264.781 4.388 10 0 CIAERN Nc1cc(Cl)ccc1Nc1cccc(Cl)c1F ZINC000020585917 171258858 /nfs/dbraw/zinc/25/88/58/171258858.db2.gz GXLUXTJIQHDLPO-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Cc1ccc(Nc2ccc(F)cc2N)c(Cl)c1 ZINC000020585893 171258868 /nfs/dbraw/zinc/25/88/68/171258868.db2.gz DZJFHSBUJNDXKI-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccccc1Nc1ccc(C(F)(F)F)cc1N ZINC000020585816 171259012 /nfs/dbraw/zinc/25/90/12/171259012.db2.gz PNQBQZVXYWQBIO-UHFFFAOYSA-N 0 0 266.266 4.340 10 0 CIAERN Nc1ccc(Nc2ccc(Br)cc2)c(Cl)c1 ZINC000020585552 171259031 /nfs/dbraw/zinc/25/90/31/171259031.db2.gz LYEGRBOMNNFTJV-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN CC[C@H](C)Sc1nnc(C(C)(C)C)n1-c1ccccc1 ZINC000020838931 171275513 /nfs/dbraw/zinc/27/55/13/171275513.db2.gz JCPBIFIUMUHFMP-LBPRGKRZSA-N 0 0 289.448 4.455 10 0 CIAERN CCCC(=O)Nc1cc2ccccc2cc1NC(=O)CCC ZINC000021003450 171284526 /nfs/dbraw/zinc/28/45/26/171284526.db2.gz DZOJKGUBDSKVPP-UHFFFAOYSA-N 0 0 298.386 4.317 10 0 CIAERN Cc1ccc(C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1C ZINC000021004126 171284974 /nfs/dbraw/zinc/28/49/74/171284974.db2.gz DDXVNHSETWDVFD-UHFFFAOYSA-N 0 0 295.382 4.129 10 0 CIAERN CCOc1ccc(N[C@@H]2CCC[C@H](C)C2)cc1OCC ZINC000021009534 171286404 /nfs/dbraw/zinc/28/64/04/171286404.db2.gz CWDBAWHSWOXXPG-UONOGXRCSA-N 0 0 277.408 4.475 10 0 CIAERN Cc1ccccc1CNc1cccc2c1CCCC2 ZINC000021012146 171287607 /nfs/dbraw/zinc/28/76/07/171287607.db2.gz DZOFBXMOZHIDCW-UHFFFAOYSA-N 0 0 251.373 4.486 10 0 CIAERN FC(F)(F)Oc1ccc(NCCc2ccccc2)cc1 ZINC000021012479 171287949 /nfs/dbraw/zinc/28/79/49/171287949.db2.gz QIFNZHPHIKFGPV-UHFFFAOYSA-N 0 0 281.277 4.240 10 0 CIAERN CC(C)c1cccc(OCc2ccc(C(N)=S)cc2)c1 ZINC000021014312 171289356 /nfs/dbraw/zinc/28/93/56/171289356.db2.gz CBZCZTWLQKZAIH-UHFFFAOYSA-N 0 0 285.412 4.023 10 0 CIAERN Cc1ccc(/C=C/c2nc3cc(Cl)ccc3c(=O)o2)cc1 ZINC000021022983 171290700 /nfs/dbraw/zinc/29/07/00/171290700.db2.gz KOCMPOLQKLIEEY-RMKNXTFCSA-N 0 0 297.741 4.320 10 0 CIAERN FC(F)(F)Oc1ccccc1NCCc1ccccc1 ZINC000021046989 171294432 /nfs/dbraw/zinc/29/44/32/171294432.db2.gz UMCWUNTUFLEAJP-UHFFFAOYSA-N 0 0 281.277 4.240 10 0 CIAERN Cc1cccc(C(C)C)c1Nc1ccc(C(N)=S)cc1 ZINC000021055304 171295707 /nfs/dbraw/zinc/29/57/07/171295707.db2.gz WLJGLWPUNGZFKJ-UHFFFAOYSA-N 0 0 284.428 4.496 10 0 CIAERN NC(=S)c1ccccc1Oc1cccc(Cl)c1Cl ZINC000021061699 171297362 /nfs/dbraw/zinc/29/73/62/171297362.db2.gz CTLVQUNJLFCJIM-UHFFFAOYSA-N 0 0 298.194 4.420 10 0 CIAERN CCCCc1ccc([C@@H](C)NCC(F)(F)F)cc1 ZINC000021500638 171304804 /nfs/dbraw/zinc/30/48/04/171304804.db2.gz KYRFDJZTASJTQS-LLVKDONJSA-N 0 0 259.315 4.242 10 0 CIAERN CCC(CC)CNc1ccc(Br)cc1F ZINC000021501953 171305918 /nfs/dbraw/zinc/30/59/18/171305918.db2.gz IMXUCNUUHWIEDQ-UHFFFAOYSA-N 0 0 274.177 4.436 10 0 CIAERN CCN(c1ccccc1C)c1ccc(C(C)=O)cc1F ZINC000021502927 171306399 /nfs/dbraw/zinc/30/63/99/171306399.db2.gz QPYAXFDWNJNWDQ-UHFFFAOYSA-N 0 0 271.335 4.495 10 0 CIAERN CCC[C@@H](C)CNc1ccccc1Br ZINC000021508542 171308925 /nfs/dbraw/zinc/30/89/25/171308925.db2.gz NKONANULJXGOJI-SNVBAGLBSA-N 0 0 256.187 4.297 10 0 CIAERN Nc1cc(Cl)ccc1O[C@@H]1CCCc2ccccc21 ZINC000021515735 171312340 /nfs/dbraw/zinc/31/23/40/171312340.db2.gz JVBHSKYLKWFNKS-OAHLLOKOSA-N 0 0 273.763 4.379 10 0 CIAERN CC[C@H](C[C@@H](C)CC)Nc1cc(OC)cc(OC)c1 ZINC000021516236 171312461 /nfs/dbraw/zinc/31/24/61/171312461.db2.gz CSIIUECDVAUVQN-QWHCGFSZSA-N 0 0 265.397 4.331 10 0 CIAERN CCCC[C@H](NCC(F)(F)F)c1ccc(F)cc1 ZINC000021517340 171313585 /nfs/dbraw/zinc/31/35/85/171313585.db2.gz DBIKMLQYXVXWCI-LBPRGKRZSA-N 0 0 263.278 4.209 10 0 CIAERN NC(=S)c1ccc(Nc2cccc(Cl)c2Cl)cc1 ZINC000021518799 171314766 /nfs/dbraw/zinc/31/47/66/171314766.db2.gz UZODFKICRVEDRW-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN COc1ccc(C)cc1NC[C@H](C)c1ccccc1 ZINC000021518791 171314810 /nfs/dbraw/zinc/31/48/10/171314810.db2.gz MLOLPRAGWGNQLH-AWEZNQCLSA-N 0 0 255.361 4.219 10 0 CIAERN Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(Cl)c12 ZINC000021779175 171322044 /nfs/dbraw/zinc/32/20/44/171322044.db2.gz VVFHRCVJCUDXNI-UHFFFAOYSA-N 0 0 292.169 4.344 10 0 CIAERN CCOc1ccc(OCC)c(NCC2CCCCC2)c1 ZINC000021787567 171322999 /nfs/dbraw/zinc/32/29/99/171322999.db2.gz GSDVNFWFUSKSMA-UHFFFAOYSA-N 0 0 277.408 4.476 10 0 CIAERN CC(C)(C)CC(C)(C)c1ccc(OCC(N)=S)cc1 ZINC000021789012 171323518 /nfs/dbraw/zinc/32/35/18/171323518.db2.gz XKLZZBFLLFAYFY-UHFFFAOYSA-N 0 0 279.449 4.065 10 0 CIAERN Brc1ccccc1OCCCc1ccccc1 ZINC000021795011 171324733 /nfs/dbraw/zinc/32/47/33/171324733.db2.gz WEKDGKDOFQQYAX-UHFFFAOYSA-N 0 0 291.188 4.461 10 0 CIAERN COc1ccc(NC2CCCCCCC2)c(OC)c1 ZINC000021795425 171324854 /nfs/dbraw/zinc/32/48/54/171324854.db2.gz QLAAMYAOAGHJEK-UHFFFAOYSA-N 0 0 263.381 4.229 10 0 CIAERN NC(=S)c1ccccc1Nc1cc(Cl)cc(Cl)c1 ZINC000021797446 171325276 /nfs/dbraw/zinc/32/52/76/171325276.db2.gz FOBDPRKIZPMWCJ-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN COc1cc(NC2CCC(C)CC2)c(OC)cc1Cl ZINC000021805670 171327668 /nfs/dbraw/zinc/32/76/68/171327668.db2.gz XMTHTCWLKKNDTM-UHFFFAOYSA-N 0 0 283.799 4.348 10 0 CIAERN Nc1cccnc1Sc1cc(Cl)ccc1Cl ZINC000021809659 171328583 /nfs/dbraw/zinc/32/85/83/171328583.db2.gz MUPAFYVMWYCWRE-UHFFFAOYSA-N 0 0 271.172 4.122 10 0 CIAERN CC(C)CC[C@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021811041 171329285 /nfs/dbraw/zinc/32/92/85/171329285.db2.gz FPJIEOBZYGWZQT-JTQLQIEISA-N 0 0 271.307 4.245 10 0 CIAERN Fc1ccc(CNc2cc(F)ccc2F)c(Cl)c1 ZINC000021811101 171329462 /nfs/dbraw/zinc/32/94/62/171329462.db2.gz KRXBYBKABCAUJP-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN COc1cc(N[C@H]2CCCC[C@H]2C)c(OC)cc1Cl ZINC000021812031 171329690 /nfs/dbraw/zinc/32/96/90/171329690.db2.gz QSGFPYUORLKHBW-PWSUYJOCSA-N 0 0 283.799 4.348 10 0 CIAERN Nc1ccc2c(c1)CCN2Cc1ccc(Cl)cc1Cl ZINC000021812089 171329841 /nfs/dbraw/zinc/32/98/41/171329841.db2.gz DBEJAANROJCYJT-UHFFFAOYSA-N 0 0 293.197 4.138 10 0 CIAERN FC(F)(F)Oc1cccc(NCCc2ccccc2)c1 ZINC000021813117 171330678 /nfs/dbraw/zinc/33/06/78/171330678.db2.gz JDHAWKXFFRCDPD-UHFFFAOYSA-N 0 0 281.277 4.240 10 0 CIAERN CC(C)CNc1ccc(Cl)cc1C(F)(F)F ZINC000021814163 171331236 /nfs/dbraw/zinc/33/12/36/171331236.db2.gz PFGMAZMVUQVNMQ-UHFFFAOYSA-N 0 0 251.679 4.427 10 0 CIAERN CCOc1ccc(NC[C@@H](C)c2ccccc2)cc1 ZINC000021814431 171331683 /nfs/dbraw/zinc/33/16/83/171331683.db2.gz NAEUAQVINPDCMF-CQSZACIVSA-N 0 0 255.361 4.301 10 0 CIAERN FC(F)(F)Oc1ccc(NC2CCCCC2)cc1 ZINC000021819030 171333864 /nfs/dbraw/zinc/33/38/64/171333864.db2.gz BYZGTKFIUQZKDY-UHFFFAOYSA-N 0 0 259.271 4.330 10 0 CIAERN O=Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1F ZINC000021950537 171339110 /nfs/dbraw/zinc/33/91/10/171339110.db2.gz LDTKEQHORACITR-UHFFFAOYSA-N 0 0 268.209 4.324 10 0 CIAERN Nc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Cl)c1 ZINC000021965628 171343515 /nfs/dbraw/zinc/34/35/15/171343515.db2.gz PFOKIKJBQINQAW-UHFFFAOYSA-N 0 0 296.157 4.220 10 0 CIAERN CN(c1ccccc1)c1ccc(C(F)(F)F)cc1N ZINC000021964520 171343696 /nfs/dbraw/zinc/34/36/96/171343696.db2.gz LTGDXABRRUNTBT-UHFFFAOYSA-N 0 0 266.266 4.056 10 0 CIAERN CCCCCOc1ccc(Br)c(F)c1F ZINC000021985195 171345373 /nfs/dbraw/zinc/34/53/73/171345373.db2.gz AWLAEEJXWWWPLC-UHFFFAOYSA-N 0 0 279.124 4.296 10 0 CIAERN CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1 ZINC000021987913 171345709 /nfs/dbraw/zinc/34/57/09/171345709.db2.gz VISNTYBUDIDKRV-CQSZACIVSA-N 0 0 293.382 4.015 10 0 CIAERN CC(=O)Nc1ccccc1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000021994517 171347412 /nfs/dbraw/zinc/34/74/12/171347412.db2.gz QVBSZIGSGOBUKM-UHFFFAOYSA-N 0 0 295.382 4.174 10 0 CIAERN Ic1ccccc1Nc1ccccc1 ZINC000021999260 171347616 /nfs/dbraw/zinc/34/76/16/171347616.db2.gz ANYJOUVEECWZHL-UHFFFAOYSA-N 0 0 295.123 4.035 10 0 CIAERN Cc1nn(-c2ccccc2)c(C)c1C1SCCCS1 ZINC000022058049 171351406 /nfs/dbraw/zinc/35/14/06/171351406.db2.gz LFDDNGHHWVWJJB-UHFFFAOYSA-N 0 0 290.457 4.358 10 0 CIAERN C[C@H](Nc1nnc(-c2ccccc2)s1)c1cccs1 ZINC000024053910 171431227 /nfs/dbraw/zinc/43/12/27/171431227.db2.gz KJYNGIDPSLYCCX-JTQLQIEISA-N 0 0 287.413 4.440 10 0 CIAERN C[C@H](Nc1cnc2ccccc2n1)c1ccccc1Cl ZINC000026135726 171472785 /nfs/dbraw/zinc/47/27/85/171472785.db2.gz MEFKVKNZJCSVGQ-NSHDSACASA-N 0 0 283.762 4.456 10 0 CIAERN Cc1nn(-c2ccc(Cl)c(C)c2)c(N)c1-c1ccccc1 ZINC000027232624 171511778 /nfs/dbraw/zinc/51/17/78/171511778.db2.gz FGMQKWLSJUHXDO-UHFFFAOYSA-N 0 0 297.789 4.392 10 0 CIAERN COc1ccc(-c2nc3c(ccc4ccccc34)n2C)cc1 ZINC000027704801 171529026 /nfs/dbraw/zinc/52/90/26/171529026.db2.gz ZVVNLJISKJVWAU-UHFFFAOYSA-N 0 0 288.350 4.402 10 0 CIAERN CC(C)(C)c1ccc(NC(=O)c2cc(F)ccc2O)cc1 ZINC000028863530 171578325 /nfs/dbraw/zinc/57/83/25/171578325.db2.gz ZTCYHPQKYKMESN-UHFFFAOYSA-N 0 0 287.334 4.081 10 0 CIAERN Nc1ccc(SCCOc2cccc(Cl)c2)cc1 ZINC000032126460 171714017 /nfs/dbraw/zinc/71/40/17/171714017.db2.gz SOAKFTNGPFZORO-UHFFFAOYSA-N 0 0 279.792 4.093 10 0 CIAERN Cc1cccc2c(C)cc(=O)n(CCCc3ccccc3)c12 ZINC000032530434 171732151 /nfs/dbraw/zinc/73/21/51/171732151.db2.gz GPARRAFWHZKWSG-UHFFFAOYSA-N 0 0 291.394 4.251 10 0 CIAERN COc1ccc(-c2cccc(C(=O)OCC(C)C)c2)cc1 ZINC000033615712 171815640 /nfs/dbraw/zinc/81/56/40/171815640.db2.gz QOQSZAGEGMGDBB-UHFFFAOYSA-N 0 0 284.355 4.175 10 0 CIAERN C/C(=C\C(C)(C)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000034095860 171831288 /nfs/dbraw/zinc/83/12/88/171831288.db2.gz GGWYYLOIWHKAJM-OUKQBFOZSA-N 0 0 268.356 4.479 10 0 in-vitro CIAERN FC(F)(F)c1ccccc1-c1cccc(Cl)n1 ZINC000034486066 171841514 /nfs/dbraw/zinc/84/15/14/171841514.db2.gz IOXPMXIXLXJNKL-UHFFFAOYSA-N 0 0 257.642 4.421 10 0 CIAERN Cc1c(Cl)ncnc1NCC[C@@H](C)c1ccccc1 ZINC000034766827 171866207 /nfs/dbraw/zinc/86/62/07/171866207.db2.gz DLTRMUQZRFMDAP-LLVKDONJSA-N 0 0 275.783 4.044 10 0 CIAERN Nc1cccc(Nc2cc(Cl)ccc2Cl)c1 ZINC000034959054 171904531 /nfs/dbraw/zinc/90/45/31/171904531.db2.gz NROMFASOIPRNLG-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN C[C@@H](O)CCCCn1c2ccccc2c2ccccc21 ZINC000034965114 171907660 /nfs/dbraw/zinc/90/76/60/171907660.db2.gz JICPGQRUPANRFN-CQSZACIVSA-N 0 0 267.372 4.346 10 0 CIAERN C[C@H]1C[C@@H]1c1[nH]nc(N)c1-c1ccc(Cl)cc1Cl ZINC000034975875 171910438 /nfs/dbraw/zinc/91/04/38/171910438.db2.gz CCIIGGSOOZOVRR-RCOVLWMOSA-N 0 0 282.174 4.089 10 0 CIAERN C[C@H](Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000035019293 171937878 /nfs/dbraw/zinc/93/78/78/171937878.db2.gz BQFDTNSWTYLOBW-LBPRGKRZSA-N 0 0 298.777 4.094 10 0 CIAERN CC(C)c1ccc(C(=O)CN(C)c2ccccc2)cc1 ZINC000035020781 171939090 /nfs/dbraw/zinc/93/90/90/171939090.db2.gz NMMJFHVGNRKLFY-UHFFFAOYSA-N 0 0 267.372 4.129 10 0 CIAERN CCN(CC(=O)c1c(C)cc(C)cc1C)c1ccccc1 ZINC000035020848 171939286 /nfs/dbraw/zinc/93/92/86/171939286.db2.gz BQRHZEXIMPNXHI-UHFFFAOYSA-N 0 0 281.399 4.321 10 0 CIAERN C[C@H]1CCCCN1CC(=O)c1cc(Cl)sc1Cl ZINC000035036108 171942683 /nfs/dbraw/zinc/94/26/83/171942683.db2.gz AUJJYEHHRZDXHB-QMMMGPOBSA-N 0 0 292.231 4.112 10 0 CIAERN Cc1ccc(C)c(O[C@@H](C)C(=O)c2ccc(F)cc2F)c1 ZINC000035046904 171950438 /nfs/dbraw/zinc/95/04/38/171950438.db2.gz FSACJOGRQUCMJP-LBPRGKRZSA-N 0 0 290.309 4.232 10 0 CIAERN C[C@H](Sc1ccccc1F)C(=O)c1ccc(F)cc1F ZINC000035046894 171950599 /nfs/dbraw/zinc/95/05/99/171950599.db2.gz LAGXANGDBCYZGW-VIFPVBQESA-N 0 0 296.313 4.467 10 0 CIAERN CCc1cccc(CC)c1NC(=S)N1CCCCCC1 ZINC000035082004 171967065 /nfs/dbraw/zinc/96/70/65/171967065.db2.gz WLUVZTDTUVEEFQ-UHFFFAOYSA-N 0 0 290.476 4.384 10 0 CIAERN C[C@H](Nc1c(F)c(F)c(F)c(F)c1F)c1ccco1 ZINC000035135113 172002382 /nfs/dbraw/zinc/00/23/82/172002382.db2.gz FNGISPCBCHBYIP-YFKPBYRVSA-N 0 0 277.192 4.148 10 0 CIAERN C[C@@H](Nc1ncc(Cl)cc1Cl)c1ccco1 ZINC000035135104 172002403 /nfs/dbraw/zinc/00/24/03/172002403.db2.gz ONBXWSIAWPEELJ-SSDOTTSWSA-N 0 0 257.120 4.155 10 0 CIAERN c1ccc(-c2ccccc2NC[C@@H]2CCCCO2)cc1 ZINC000035150824 172013687 /nfs/dbraw/zinc/01/36/87/172013687.db2.gz LPFDLQLTDYIHGP-INIZCTEOSA-N 0 0 267.372 4.335 10 0 CIAERN COc1ccc(Cl)cc1CNc1ccc(F)cc1F ZINC000035180059 172033212 /nfs/dbraw/zinc/03/32/12/172033212.db2.gz GOKKXTBLJZUEEI-UHFFFAOYSA-N 0 0 283.705 4.239 10 0 CIAERN COc1ccc(Cl)cc1CNc1cc(F)ccc1F ZINC000035180060 172033288 /nfs/dbraw/zinc/03/32/88/172033288.db2.gz XVBLBZXAWKQBNT-UHFFFAOYSA-N 0 0 283.705 4.239 10 0 CIAERN O=C(COc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000035181746 172035688 /nfs/dbraw/zinc/03/56/88/172035688.db2.gz OREGIUZKSWCZDP-UHFFFAOYSA-N 0 0 286.758 4.090 10 0 CIAERN Cc1ccc(OCC(=O)c2cccc(Cl)c2)cc1C ZINC000035182345 172035892 /nfs/dbraw/zinc/03/58/92/172035892.db2.gz XTKOHEJJCRSNIN-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN CC[C@H](C)SCC(=O)c1cc(C)c(C)cc1C ZINC000035182552 172035983 /nfs/dbraw/zinc/03/59/83/172035983.db2.gz FDCXTXJMLBVMQX-ZDUSSCGKSA-N 0 0 250.407 4.326 10 0 CIAERN CCc1ccccc1O[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000035182439 172036044 /nfs/dbraw/zinc/03/60/44/172036044.db2.gz XDXUTSQJVJOXJQ-AWEZNQCLSA-N 0 0 268.356 4.208 10 0 CIAERN Cc1ccc(C)c(OCC(=O)c2c(C)cc(C)cc2C)c1 ZINC000035182237 172036097 /nfs/dbraw/zinc/03/60/97/172036097.db2.gz XTIDJUYELIIZJV-UHFFFAOYSA-N 0 0 282.383 4.490 10 0 CIAERN CCc1ccc(C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000035182365 172036113 /nfs/dbraw/zinc/03/61/13/172036113.db2.gz DKRANJLGSDNTEI-UHFFFAOYSA-N 0 0 268.356 4.128 10 0 CIAERN Cc1cc(C)c(C(=O)COc2ccccc2C)c(C)c1 ZINC000035183754 172037208 /nfs/dbraw/zinc/03/72/08/172037208.db2.gz XVHLBHXXSXXKAV-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN Cc1cccc(O[C@@H](C)C(=O)c2ccc(F)cc2)c1C ZINC000035184349 172037863 /nfs/dbraw/zinc/03/78/63/172037863.db2.gz XDQZOGHDXZAFON-ZDUSSCGKSA-N 0 0 272.319 4.093 10 0 CIAERN Fc1ccc(NCc2cccc(F)c2F)c(Cl)c1 ZINC000035223987 172068088 /nfs/dbraw/zinc/06/80/88/172068088.db2.gz OEWWMCRSNFAVEN-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN Cc1cc(Nc2ccc(F)cc2Cl)ccc1N ZINC000035278158 172097225 /nfs/dbraw/zinc/09/72/25/172097225.db2.gz GAKPYEAZMMTNHO-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(Oc2ccc(N)c(C)c2)c(Br)c1 ZINC000035278459 172097306 /nfs/dbraw/zinc/09/73/06/172097306.db2.gz KSDWIFIANFWPFO-UHFFFAOYSA-N 0 0 292.176 4.440 10 0 CIAERN Cc1cc(Nc2ccc(F)c(Cl)c2)ccc1N ZINC000035278137 172097509 /nfs/dbraw/zinc/09/75/09/172097509.db2.gz DCJRLZWBBWOANV-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN S=C(Nc1c(Cl)cccc1Cl)N1CCCCC1 ZINC000035279956 172098097 /nfs/dbraw/zinc/09/80/97/172098097.db2.gz UJSDSCFBSFEUPQ-UHFFFAOYSA-N 0 0 289.231 4.176 10 0 CIAERN Nc1ccc(Nc2cc(Cl)ccc2F)c(Cl)c1 ZINC000035284523 172102472 /nfs/dbraw/zinc/10/24/72/172102472.db2.gz FFMQWPIYBGJSDQ-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN COC(=O)c1ccc(N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000035286395 172104206 /nfs/dbraw/zinc/10/42/06/172104206.db2.gz LQKXOEKJAFGAME-SECBINFHSA-N 0 0 295.791 4.361 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1ccc(Cl)s1 ZINC000035286311 172104535 /nfs/dbraw/zinc/10/45/35/172104535.db2.gz HROXGFWWARHCLS-MRVPVSSYSA-N 0 0 253.754 4.280 10 0 CIAERN Nc1ccc(F)cc1CSc1ccc2c(c1)CCC2 ZINC000035308955 172122246 /nfs/dbraw/zinc/12/22/46/172122246.db2.gz KITMOEVTBOVDKJ-UHFFFAOYSA-N 0 0 273.376 4.189 10 0 CIAERN Nc1ccc(F)cc1CSc1ccc(Cl)cc1 ZINC000035308893 172122274 /nfs/dbraw/zinc/12/22/74/172122274.db2.gz PGIKVQXRVDNKKA-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN Cc1ccoc1C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000035368470 172159896 /nfs/dbraw/zinc/15/98/96/172159896.db2.gz KHTXGFNTKIPZOG-UHFFFAOYSA-N 0 0 256.345 4.361 10 0 CIAERN COc1ccc(C(=O)c2cccs2)c2ccccc12 ZINC000035369404 172161019 /nfs/dbraw/zinc/16/10/19/172161019.db2.gz IUDRUTQEJFHGAQ-UHFFFAOYSA-N 0 0 268.337 4.141 10 0 CIAERN COc1ccc(C(=O)c2ccsc2)c2ccccc12 ZINC000035369402 172161072 /nfs/dbraw/zinc/16/10/72/172161072.db2.gz NRLWQPBBJCOOQE-UHFFFAOYSA-N 0 0 268.337 4.141 10 0 CIAERN Cc1ccsc1C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000035369738 172161263 /nfs/dbraw/zinc/16/12/63/172161263.db2.gz JXOKUEFHNDFFQS-UHFFFAOYSA-N 0 0 275.760 4.422 10 0 CIAERN CCCC[C@H](CC)C(=O)c1ccc(OC)c(F)c1 ZINC000035423906 172192587 /nfs/dbraw/zinc/19/25/87/172192587.db2.gz HDVUHDKXPYYMSF-NSHDSACASA-N 0 0 252.329 4.233 10 0 CIAERN CN[C@@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035501807 172236944 /nfs/dbraw/zinc/23/69/44/172236944.db2.gz OSHCCZNUUXYABV-GFCCVEGCSA-N 0 0 270.159 4.204 10 0 CIAERN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000035531620 172243579 /nfs/dbraw/zinc/24/35/79/172243579.db2.gz AZUYHQKRJBCZNZ-UHFFFAOYSA-N 0 0 254.720 4.259 10 0 CIAERN CCN[C@@H](c1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000035540173 172246541 /nfs/dbraw/zinc/24/65/41/172246541.db2.gz ODOYVEGFHKJEDO-VIFPVBQESA-N 0 0 287.659 4.188 10 0 CIAERN CCN[C@@H](c1ccc(C)cc1C)C(F)(F)C(F)(F)F ZINC000035542587 172250082 /nfs/dbraw/zinc/25/00/82/172250082.db2.gz ZVLPHOITFIQGRU-NSHDSACASA-N 0 0 281.268 4.152 10 0 CIAERN CCN[C@H](c1ccc([C@H](C)CC)cc1)C(F)(F)F ZINC000035544062 172251898 /nfs/dbraw/zinc/25/18/98/172251898.db2.gz FCUHZIMEPHNWMU-ZWNOBZJWSA-N 0 0 259.315 4.413 10 0 CIAERN C[C@@H](O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000035627542 172306072 /nfs/dbraw/zinc/30/60/72/172306072.db2.gz BYNIUBJAADRHEC-LLVKDONJSA-N 0 0 296.288 4.338 10 0 CIAERN CC(C)N(Cc1ccccc1)c1ccc(F)cc1[C@@H](C)O ZINC000035631195 172313301 /nfs/dbraw/zinc/31/33/01/172313301.db2.gz VRDPQVOEABHJJY-CQSZACIVSA-N 0 0 287.378 4.294 10 0 CIAERN CCN(c1ccccc1)c1ccc([C@@H](C)O)cc1F ZINC000035631376 172313822 /nfs/dbraw/zinc/31/38/22/172313822.db2.gz PRYRPUCNTRVTKH-GFCCVEGCSA-N 0 0 259.324 4.037 10 0 CIAERN C[C@@H](O)c1c(F)cccc1Oc1ccc(Cl)cc1 ZINC000035632215 172314713 /nfs/dbraw/zinc/31/47/13/172314713.db2.gz PNUSMFPDQCZCBO-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN C[C@@H](O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000035632299 172314981 /nfs/dbraw/zinc/31/49/81/172314981.db2.gz RDWCDMATEVUKHU-SNVBAGLBSA-N 0 0 293.160 4.295 10 0 CIAERN Cc1cc(C)cc(Oc2ccc([C@H](C)O)cc2F)c1 ZINC000035632251 172314989 /nfs/dbraw/zinc/31/49/89/172314989.db2.gz ROIVVFGUATVAJU-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN CCCOc1ccc(Oc2cccc(F)c2[C@@H](C)O)cc1 ZINC000035632482 172315053 /nfs/dbraw/zinc/31/50/53/172315053.db2.gz JBGPMRUCNZIOLO-GFCCVEGCSA-N 0 0 290.334 4.460 10 0 CIAERN Cc1ccc(C)c(Oc2cccc(F)c2[C@@H](C)O)c1 ZINC000035632226 172315071 /nfs/dbraw/zinc/31/50/71/172315071.db2.gz VDGRXEOMOCXBOB-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN CCCOc1ccc(Oc2ccc(F)cc2[C@@H](C)O)cc1 ZINC000035632488 172315397 /nfs/dbraw/zinc/31/53/97/172315397.db2.gz SPTBIMPBWXXYAQ-GFCCVEGCSA-N 0 0 290.334 4.460 10 0 CIAERN Cc1cc(Cl)cc(C)c1OCc1cccc(N)c1C ZINC000035649334 172325195 /nfs/dbraw/zinc/32/51/95/172325195.db2.gz CIYKYYISIJOIJB-UHFFFAOYSA-N 0 0 275.779 4.426 10 0 CIAERN Cc1c(N)cccc1CSc1ccc2c(c1)CCC2 ZINC000035649552 172325893 /nfs/dbraw/zinc/32/58/93/172325893.db2.gz FFYCIMHPKQABDW-UHFFFAOYSA-N 0 0 269.413 4.358 10 0 CIAERN Cc1c(N)cccc1CSc1ccc(F)cc1F ZINC000035649558 172326343 /nfs/dbraw/zinc/32/63/43/172326343.db2.gz QPICYWMWPNOWJK-UHFFFAOYSA-N 0 0 265.328 4.148 10 0 CIAERN Cc1ccc(Cl)c(Oc2ccccc2[C@@H](C)O)c1 ZINC000035650759 172326610 /nfs/dbraw/zinc/32/66/10/172326610.db2.gz CARVVBOURHRTLD-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN C[C@H](O)c1ccccc1Oc1cccc(Br)c1 ZINC000035650689 172326816 /nfs/dbraw/zinc/32/68/16/172326816.db2.gz XISSLIAVQNZXPT-JTQLQIEISA-N 0 0 293.160 4.295 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccccc1[C@H](C)O ZINC000035650710 172326844 /nfs/dbraw/zinc/32/68/44/172326844.db2.gz UQBMQAZEZUZNBW-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN CCN(c1ccccc1C)c1ccccc1[C@H](C)O ZINC000035650449 172326897 /nfs/dbraw/zinc/32/68/97/172326897.db2.gz SDMXJZTUISKOQX-AWEZNQCLSA-N 0 0 255.361 4.206 10 0 CIAERN C[C@@H](O)c1ccccc1Oc1cccc(Br)c1 ZINC000035650690 172326920 /nfs/dbraw/zinc/32/69/20/172326920.db2.gz XISSLIAVQNZXPT-SNVBAGLBSA-N 0 0 293.160 4.295 10 0 CIAERN CCCCCOc1c(Cl)cc(Cl)cc1C=O ZINC000035662253 172340433 /nfs/dbraw/zinc/34/04/33/172340433.db2.gz QIIAAJSCCAWHCP-UHFFFAOYSA-N 0 0 261.148 4.375 10 0 CIAERN C[C@H](Nc1ccc2scnc2c1N)c1cccs1 ZINC000035736696 172389809 /nfs/dbraw/zinc/38/98/09/172389809.db2.gz SKAVXSXMGPOTJA-QMMMGPOBSA-N 0 0 275.402 4.113 10 0 CIAERN C[C@H](Nc1ccc(Br)cc1N)c1cccs1 ZINC000035736752 172389834 /nfs/dbraw/zinc/38/98/34/172389834.db2.gz YQVDCZRREORAAW-QMMMGPOBSA-N 0 0 297.221 4.266 10 0 CIAERN CCOc1ccccc1[C@H](C)N[C@@H](C)c1ccco1 ZINC000035738835 172392419 /nfs/dbraw/zinc/39/24/19/172392419.db2.gz XZOIKEHUQVGSCH-STQMWFEESA-N 0 0 259.349 4.090 10 0 CIAERN COC(=O)C[C@@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000035748813 172396233 /nfs/dbraw/zinc/39/62/33/172396233.db2.gz RCYXSLSNEUKNPW-ZCFIWIBFSA-N 0 0 296.581 4.010 10 0 CIAERN Nc1cc(Cl)ccc1N1CCC[C@@H]1c1ccccc1 ZINC000036132307 172453998 /nfs/dbraw/zinc/45/39/98/172453998.db2.gz ZOKRQVFMJGEFTR-OAHLLOKOSA-N 0 0 272.779 4.264 10 0 CIAERN Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)c(N)n2c1 ZINC000036222193 172519486 /nfs/dbraw/zinc/51/94/86/172519486.db2.gz NCTHGDAEOMNPAH-UHFFFAOYSA-N 0 0 292.169 4.199 10 0 CIAERN CCc1cc2c(nc(Cl)nc2N[C@@H](C)CC)s1 ZINC000036277741 172568540 /nfs/dbraw/zinc/56/85/40/172568540.db2.gz YCFMQUOZRNBUNA-ZETCQYMHSA-N 0 0 269.801 4.118 10 0 CIAERN CCC(=O)Nc1nc(C)c(Cc2ccc(Cl)cc2)s1 ZINC000036639174 172644344 /nfs/dbraw/zinc/64/43/44/172644344.db2.gz CEOITFGDXCQRGF-UHFFFAOYSA-N 0 0 294.807 4.044 10 0 CIAERN Nc1onc(C(F)(F)F)c1-c1c(Cl)cccc1Cl ZINC000036936304 172815697 /nfs/dbraw/zinc/81/56/97/172815697.db2.gz JWQJWYVOBKZNIH-UHFFFAOYSA-N 0 0 297.063 4.249 10 0 CIAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)c1c(F)cc(F)cc1F ZINC000036942153 172817822 /nfs/dbraw/zinc/81/78/22/172817822.db2.gz PZYOEJNIJCMGNV-AEJSXWLSSA-N 0 0 268.278 4.113 10 0 CIAERN COc1ccc([C@H](C)Nc2cnc3ccccc3c2)cc1 ZINC000036990031 172852964 /nfs/dbraw/zinc/85/29/64/172852964.db2.gz SMTUDIFQMVZQMH-ZDUSSCGKSA-N 0 0 278.355 4.417 10 0 CIAERN CC(C)CC[C@@H](C)Nc1ccccc1-n1cccn1 ZINC000037024464 172888349 /nfs/dbraw/zinc/88/83/49/172888349.db2.gz LPLZROVXWYYRJJ-CQSZACIVSA-N 0 0 257.381 4.109 10 0 CIAERN Nc1ccc(OCc2ccc(Cl)cc2Cl)c(F)c1 ZINC000037064912 172928092 /nfs/dbraw/zinc/92/80/92/172928092.db2.gz JDWYCUWMHAZVLK-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN CCOc1nc(Nc2ccc(Cl)cc2Cl)ccc1N ZINC000037067278 172930130 /nfs/dbraw/zinc/93/01/30/172930130.db2.gz MWUXEUDXGCZYFB-UHFFFAOYSA-N 0 0 298.173 4.113 10 0 CIAERN CCCOc1nc(Sc2ccc(Cl)cc2)ccc1N ZINC000037077748 172935141 /nfs/dbraw/zinc/93/51/41/172935141.db2.gz AWVWLHRTJCSZPS-UHFFFAOYSA-N 0 0 294.807 4.257 10 0 CIAERN Clc1cc(Cl)c2c(c1)[C@H](Nc1cccnc1)CCO2 ZINC000037187223 173017322 /nfs/dbraw/zinc/01/73/22/173017322.db2.gz UCXRKIVKPDRZLV-CYBMUJFWSA-N 0 0 295.169 4.324 10 0 CIAERN CO[C@H]1CCCC[C@H]1Nc1cccc2ccccc21 ZINC000037188659 173019180 /nfs/dbraw/zinc/01/91/80/173019180.db2.gz CVSQNROUGOLMFL-SJORKVTESA-N 0 0 255.361 4.209 10 0 CIAERN COc1ccc(F)cc1CSc1ccc(N)cc1C ZINC000037193739 173023140 /nfs/dbraw/zinc/02/31/40/173023140.db2.gz IFZMPQPCZHQGGL-UHFFFAOYSA-N 0 0 277.364 4.017 10 0 CIAERN Nc1cc(F)ccc1SCCSc1ccc(F)cc1 ZINC000037194680 173023645 /nfs/dbraw/zinc/02/36/45/173023645.db2.gz SIBHWFNIPHMNCD-UHFFFAOYSA-N 0 0 297.395 4.431 10 0 CIAERN Cc1ccc(CNc2cccc3ncccc32)cc1C ZINC000037197897 173024726 /nfs/dbraw/zinc/02/47/26/173024726.db2.gz YYRUQESSKKPRKW-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN CC1CCC(Nc2nc3cc(F)ccc3s2)CC1 ZINC000037206782 173027396 /nfs/dbraw/zinc/02/73/96/173027396.db2.gz IJJVQZPYCKBXFA-UHFFFAOYSA-N 0 0 264.369 4.426 10 0 CIAERN COc1cc(C)ccc1[C@H](C)Nc1ccccc1F ZINC000037211298 173032935 /nfs/dbraw/zinc/03/29/35/173032935.db2.gz BWJMVNRYHRWERM-LBPRGKRZSA-N 0 0 259.324 4.316 10 0 CIAERN Cc1ncsc1[C@@H](C)Nc1ccccc1OC(F)F ZINC000037217549 173036180 /nfs/dbraw/zinc/03/61/80/173036180.db2.gz BBEUHFBACYMZRA-SECBINFHSA-N 0 0 284.331 4.226 10 0 CIAERN Fc1ccc(F)c(CNc2ccc3[nH]ccc3c2)c1 ZINC000037233184 173052750 /nfs/dbraw/zinc/05/27/50/173052750.db2.gz IPVYKVSJFSBFQQ-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Cc1sc2ncnc(N[C@H]3CCC[C@@H](C)C3)c2c1C ZINC000037251566 173063729 /nfs/dbraw/zinc/06/37/29/173063729.db2.gz JTJLCRKFUCPDTL-SKDRFNHKSA-N 0 0 275.421 4.299 10 0 CIAERN C[C@H]1CCC[C@H](Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000037251474 173063821 /nfs/dbraw/zinc/06/38/21/173063821.db2.gz FTARLMJZRQOLEN-BQBZGAKWSA-N 0 0 279.252 4.373 10 0 CIAERN CC(C)C[C@@H](C)Nc1nc2cc(F)ccc2s1 ZINC000037265280 173074182 /nfs/dbraw/zinc/07/41/82/173074182.db2.gz WEKMKEZMMMIQPX-SECBINFHSA-N 0 0 252.358 4.282 10 0 CIAERN CC(C)C[C@H](C)Nc1nc2cc(F)ccc2s1 ZINC000037265281 173074184 /nfs/dbraw/zinc/07/41/84/173074184.db2.gz WEKMKEZMMMIQPX-VIFPVBQESA-N 0 0 252.358 4.282 10 0 CIAERN CC[C@@H](Nc1ccc(C(=O)OC(C)C)cc1)C(C)C ZINC000037279551 173088902 /nfs/dbraw/zinc/08/89/02/173088902.db2.gz ONPTVXIHPPRVEW-OAHLLOKOSA-N 0 0 263.381 4.098 10 0 CIAERN CC(C)[C@@H](Nc1ccc(N(C)C)nc1)c1cccs1 ZINC000037283851 173091267 /nfs/dbraw/zinc/09/12/67/173091267.db2.gz IPRXAWKFXUGLKN-OAHLLOKOSA-N 0 0 275.421 4.018 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccccc1OC(F)F ZINC000037328052 173128802 /nfs/dbraw/zinc/12/88/02/173128802.db2.gz SFQOOBYHASETFW-UHFFFAOYSA-N 0 0 284.693 4.267 10 0 CIAERN CC(=O)c1cc(Cl)cc(CSCc2ccco2)c1O ZINC000037330904 173131804 /nfs/dbraw/zinc/13/18/04/173131804.db2.gz MGDOCPRDIXPIHR-UHFFFAOYSA-N 0 0 296.775 4.275 10 0 CIAERN CC[C@H]1CCCN([C@@H](C)C(=O)c2cccc(Cl)c2)C1 ZINC000037339466 173140139 /nfs/dbraw/zinc/14/01/39/173140139.db2.gz XCOLQCPVFCGRLW-STQMWFEESA-N 0 0 279.811 4.033 10 0 CIAERN CC[C@H]1CCCC[C@@H]1OCC(=O)c1ccccc1C ZINC000037342278 173142468 /nfs/dbraw/zinc/14/24/68/173142468.db2.gz OVFPDIUFYUDRBY-YOEHRIQHSA-N 0 0 260.377 4.163 10 0 CIAERN Nc1onc(-c2ccc(Cl)cc2)c1-c1ccc(F)cc1 ZINC000037350396 173144439 /nfs/dbraw/zinc/14/44/39/173144439.db2.gz KFQLUOLTOWQNTB-UHFFFAOYSA-N 0 0 288.709 4.383 10 0 CIAERN CC[C@H](C)c1[nH]nc(N)c1-c1ccc(C(C)C)cc1 ZINC000037349598 173144871 /nfs/dbraw/zinc/14/48/71/173144871.db2.gz WRTWANOVCUBARW-NSHDSACASA-N 0 0 257.381 4.296 10 0 CIAERN CC[C@H](C(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000037354605 173147112 /nfs/dbraw/zinc/14/71/12/173147112.db2.gz HZRGJRGSCUNCJX-ZDUSSCGKSA-N 0 0 260.283 4.341 10 0 CIAERN CCCC[C@H](CC)C(=O)c1ccc(OC)c(OC)c1 ZINC000037359932 173149798 /nfs/dbraw/zinc/14/97/98/173149798.db2.gz UGKVBDJSUPYUOT-LBPRGKRZSA-N 0 0 264.365 4.103 10 0 CIAERN O=C(c1c[nH]c2ncccc12)c1c(Cl)cccc1Cl ZINC000037361809 173150968 /nfs/dbraw/zinc/15/09/68/173150968.db2.gz ZSKWIGZGROWWQW-UHFFFAOYSA-N 0 0 291.137 4.101 10 0 CIAERN O=C(c1c[nH]c2ccccc12)c1ccc(Cl)cc1F ZINC000037361416 173151235 /nfs/dbraw/zinc/15/12/35/173151235.db2.gz FTCLBHJPWSTXTK-UHFFFAOYSA-N 0 0 273.694 4.191 10 0 CIAERN Cc1ccc(C(=O)C(C)(C)c2ccccc2)cc1C ZINC000037363156 173151701 /nfs/dbraw/zinc/15/17/01/173151701.db2.gz XGTIPUITJWUMOE-UHFFFAOYSA-N 0 0 252.357 4.464 10 0 CIAERN CC(C)c1ccccc1NCc1ccc2c(c1)CCO2 ZINC000037362499 173151918 /nfs/dbraw/zinc/15/19/18/173151918.db2.gz VSQANTVRUUBLQN-UHFFFAOYSA-N 0 0 267.372 4.357 10 0 CIAERN Cc1ccc(Sc2ccc3ncccc3c2N)cc1 ZINC000037378744 173167347 /nfs/dbraw/zinc/16/73/47/173167347.db2.gz TWBTZSHGDPTQTG-UHFFFAOYSA-N 0 0 266.369 4.277 10 0 CIAERN CCOc1ccc(C(C)=O)cc1CS[C@@H](C)CC ZINC000037382063 173167962 /nfs/dbraw/zinc/16/79/62/173167962.db2.gz HSAIEPJWPFPMDW-NSHDSACASA-N 0 0 266.406 4.320 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc(SC)cc2)n1 ZINC000037409204 173185762 /nfs/dbraw/zinc/18/57/62/173185762.db2.gz ZWEUZGNVVMHOSY-UHFFFAOYSA-N 0 0 278.808 4.471 10 0 CIAERN Nc1c(F)cccc1Nc1ccc(Cl)c(Cl)c1 ZINC000037419404 173197119 /nfs/dbraw/zinc/19/71/19/173197119.db2.gz KAHRPHPBXYHHOC-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Fc1ccc(F)c(-n2c3cccc(F)c3[nH]c2=S)c1 ZINC000037422607 173198331 /nfs/dbraw/zinc/19/83/31/173198331.db2.gz ZHBLWTXYHZBIOQ-UHFFFAOYSA-N 0 0 280.274 4.105 10 0 CIAERN Cn1c2ccc(Cl)cc2nc1-c1cc(Cl)ccc1N ZINC000037440243 173210245 /nfs/dbraw/zinc/21/02/45/173210245.db2.gz BRSWHGRLJAJIJK-UHFFFAOYSA-N 0 0 292.169 4.129 10 0 CIAERN CC(=O)c1ccc(SC2CCCCC2)c(F)c1 ZINC000037488297 173230724 /nfs/dbraw/zinc/23/07/24/173230724.db2.gz DJUQTDLKOIXHRS-UHFFFAOYSA-N 0 0 252.354 4.453 10 0 CIAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1 ZINC000037529013 173252472 /nfs/dbraw/zinc/25/24/72/173252472.db2.gz ZQEKXHUUANBZJL-GOEBONIOSA-N 0 0 250.357 4.250 10 0 CIAERN CCC1CCC(O)(Cc2ccccc2Cl)CC1 ZINC000037529964 173252781 /nfs/dbraw/zinc/25/27/81/173252781.db2.gz ISRXWFIXGKVMBH-UHFFFAOYSA-N 0 0 252.785 4.214 10 0 CIAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)Cc1ccccc1F ZINC000037530063 173252826 /nfs/dbraw/zinc/25/28/26/173252826.db2.gz OEABDGLKGJNBIL-DOTOQJQBSA-N 0 0 264.384 4.336 10 0 CIAERN Cc1cccc(C[C@]2(O)C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000037529863 173252873 /nfs/dbraw/zinc/25/28/73/173252873.db2.gz GJGLURWITSHMCM-CGTJXYLNSA-N 0 0 260.421 4.361 10 0 CIAERN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(O)CCc1ccccc1 ZINC000037531625 173253272 /nfs/dbraw/zinc/25/32/72/173253272.db2.gz QKXYDTSWMIESKX-SZMVWBNQSA-N 0 0 260.421 4.443 10 0 CIAERN Cc1cccc(CC(=O)c2ccc(Br)cc2)c1 ZINC000037531853 173253349 /nfs/dbraw/zinc/25/33/49/173253349.db2.gz DFPROYDFDBKNSR-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN CCC[C@](O)(Cc1ccccc1C)c1ccccc1 ZINC000037531427 173253587 /nfs/dbraw/zinc/25/35/87/173253587.db2.gz KNHCGUNJENODQG-SFHVURJKSA-N 0 0 254.373 4.225 10 0 CIAERN CC(C)c1ccc([C@H](O)Cc2ccccc2F)cc1 ZINC000037532410 173253984 /nfs/dbraw/zinc/25/39/84/173253984.db2.gz IWKQIDKECIJJEL-QGZVFWFLSA-N 0 0 258.336 4.225 10 0 CIAERN Cc1nc2cc(NCCC3CCCC3)c(N)cc2s1 ZINC000037741122 173662422 /nfs/dbraw/zinc/66/24/22/173662422.db2.gz RMYRJQYPEVDMBJ-UHFFFAOYSA-N 0 0 275.421 4.179 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000037776677 173708284 /nfs/dbraw/zinc/70/82/84/173708284.db2.gz DKEVSMBHWHLXOL-IUCAKERBSA-N 0 0 261.287 4.274 10 0 CIAERN O[C@@H](CNc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000037857058 173807888 /nfs/dbraw/zinc/80/78/88/173807888.db2.gz VGHUSSHQWURKPJ-AWEZNQCLSA-N 0 0 282.170 4.139 10 0 CIAERN O[C@H](CNc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000037857036 173808353 /nfs/dbraw/zinc/80/83/53/173808353.db2.gz HMBQHRVEXJSHSY-CQSZACIVSA-N 0 0 282.170 4.139 10 0 CIAERN CC(C)(C)c1ccc([C@H]([NH2+]C2CCCCC2)C(=O)[O-])cc1 ZINC000037971732 173922963 /nfs/dbraw/zinc/92/29/63/173922963.db2.gz GJWZSRYZJNDPIJ-INIZCTEOSA-N 0 0 289.419 4.032 10 0 CIAERN Clc1nsnc1Oc1ccc2ccccc2c1 ZINC000037981634 173941750 /nfs/dbraw/zinc/94/17/50/173941750.db2.gz SWQXGSRPEONJOG-UHFFFAOYSA-N 0 0 262.721 4.137 10 0 CIAERN CCc1c(C)nc(-c2ccc(Cl)cc2)nc1Cl ZINC000038004036 173965701 /nfs/dbraw/zinc/96/57/01/173965701.db2.gz PWCXOHXEFJJHCB-UHFFFAOYSA-N 0 0 267.159 4.321 10 0 CIAERN COc1ccc(Cl)cc1CNc1ccc2[nH]ccc2c1 ZINC000038051527 174062645 /nfs/dbraw/zinc/06/26/45/174062645.db2.gz QHZAJCDXFJUXKP-UHFFFAOYSA-N 0 0 286.762 4.442 10 0 CIAERN Clc1ccc(COc2cccc3c2NCCC3)cc1 ZINC000038056254 174067732 /nfs/dbraw/zinc/06/77/32/174067732.db2.gz LPRQDOSBGKYVGM-UHFFFAOYSA-N 0 0 273.763 4.277 10 0 CIAERN Nc1ncc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000038069356 174080967 /nfs/dbraw/zinc/08/09/67/174080967.db2.gz XORSNCOLQUCPLX-UHFFFAOYSA-N 0 0 258.390 4.440 10 0 CIAERN Cc1ccc([C@](C)(O)Cc2cc(C)cc(C)c2)cc1 ZINC000038077058 174087651 /nfs/dbraw/zinc/08/76/51/174087651.db2.gz YJWXGEQWIRZHCV-GOSISDBHSA-N 0 0 254.373 4.062 10 0 CIAERN O=C(Cc1ccccc1)c1cc(Br)ccc1F ZINC000038127036 174131774 /nfs/dbraw/zinc/13/17/74/174131774.db2.gz PQIYFNJEGJMPAV-UHFFFAOYSA-N 0 0 293.135 4.014 10 0 CIAERN Fc1cccc(Oc2csc(C(F)(F)F)c2)n1 ZINC000038860923 174157991 /nfs/dbraw/zinc/15/79/91/174157991.db2.gz HCDHPOMDCPWVKD-UHFFFAOYSA-N 0 0 263.215 4.093 10 0 CIAERN COc1ccc(-n2cccc2-c2cccs2)c(OC)c1 ZINC000038884984 174158726 /nfs/dbraw/zinc/15/87/26/174158726.db2.gz KQXFHEDUJYTVEE-UHFFFAOYSA-N 0 0 285.368 4.223 10 0 CIAERN O=c1c2ccccc2oc(-c2ccccc2)c1-n1cccc1 ZINC000039119548 174163006 /nfs/dbraw/zinc/16/30/06/174163006.db2.gz FELSABUXASHGRC-UHFFFAOYSA-N 0 0 287.318 4.251 10 0 CIAERN CCOC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000040174193 174200517 /nfs/dbraw/zinc/20/05/17/174200517.db2.gz TUHBPUJCOMZZTL-UHFFFAOYSA-N 0 0 285.126 4.430 10 0 CIAERN O[C@@H](/C=C/c1ccccc1)c1ccc(Br)cc1 ZINC000040176374 174201358 /nfs/dbraw/zinc/20/13/58/174201358.db2.gz PICVYUWHHIUEBJ-VQCVXAJWSA-N 0 0 289.172 4.196 10 0 CIAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccccc3)c2c1 ZINC000040177082 174202100 /nfs/dbraw/zinc/20/21/00/174202100.db2.gz YWZIMVRJHCCIFN-UHFFFAOYSA-N 0 0 290.366 4.412 10 0 CIAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)NC1CCCC1 ZINC000040178746 174202776 /nfs/dbraw/zinc/20/27/76/174202776.db2.gz LMQUXMDDJZSRSP-UHFFFAOYSA-N 0 0 283.371 4.236 10 0 CIAERN Cc1cccc(Oc2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC000040178950 174203016 /nfs/dbraw/zinc/20/30/16/174203016.db2.gz MNVRUWYHHBKFDT-UHFFFAOYSA-N 0 0 295.382 4.460 10 0 CIAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)NC1CCCC1 ZINC000040178850 174203181 /nfs/dbraw/zinc/20/31/81/174203181.db2.gz QPDFUNUPNJUPMF-UHFFFAOYSA-N 0 0 287.334 4.067 10 0 CIAERN Cc1ccc(OCCn2cnc3cc(C)c(C)cc32)cc1C ZINC000040224110 174208064 /nfs/dbraw/zinc/20/80/64/174208064.db2.gz WDDOEEYVVOZYMS-UHFFFAOYSA-N 0 0 294.398 4.349 10 0 CIAERN CCc1ccc(OCc2nc3ccccc3n2CC)cc1 ZINC000040234962 174212202 /nfs/dbraw/zinc/21/22/02/174212202.db2.gz WGDPTRLYENELLU-UHFFFAOYSA-N 0 0 280.371 4.198 10 0 CIAERN Cc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040244282 174214234 /nfs/dbraw/zinc/21/42/34/174214234.db2.gz BVSIWNHEBVFGOC-CQSZACIVSA-N 0 0 267.155 4.384 10 0 CIAERN CC(C)(C)c1ccc([C@H](O)Cc2ccccc2)cc1 ZINC000040254218 174216101 /nfs/dbraw/zinc/21/61/01/174216101.db2.gz SBADVOOUYMYNPM-QGZVFWFLSA-N 0 0 254.373 4.260 10 0 CIAERN Cc1cc2nc(CO)n(CCC3CCCCC3)c2cc1C ZINC000040308906 174229849 /nfs/dbraw/zinc/22/98/49/174229849.db2.gz PGPLKGRZWBGIQO-UHFFFAOYSA-N 0 0 286.419 4.116 10 0 CIAERN COc1cc(/C=C\c2cc3occc3c(O)c2)cc(OC)c1 ZINC000040392739 174252139 /nfs/dbraw/zinc/25/21/39/174252139.db2.gz CIAUAUMFFDERFG-ARJAWSKDSA-N 0 0 296.322 4.326 10 0 CIAERN COCCCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040402804 174253804 /nfs/dbraw/zinc/25/38/04/174253804.db2.gz WYJGNPGHHQXBGI-UHFFFAOYSA-N 0 0 280.799 4.024 10 0 CIAERN CCOCCn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040405102 174254251 /nfs/dbraw/zinc/25/42/51/174254251.db2.gz WWEQJVUDJZJHRT-UHFFFAOYSA-N 0 0 280.799 4.024 10 0 CIAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2C)cc1 ZINC000040417081 174255923 /nfs/dbraw/zinc/25/59/23/174255923.db2.gz FJOBZZXKQSIUAV-UHFFFAOYSA-N 0 0 286.762 4.114 10 0 CIAERN Cc1nc2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417597 174256057 /nfs/dbraw/zinc/25/60/57/174256057.db2.gz HIQAXEZDDPQXJS-UHFFFAOYSA-N 0 0 256.271 4.020 10 0 CIAERN CCn1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040417196 174256182 /nfs/dbraw/zinc/25/61/82/174256182.db2.gz JVNPMICGGSRIRT-UHFFFAOYSA-N 0 0 270.763 4.300 10 0 CIAERN CCc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000040417816 174256349 /nfs/dbraw/zinc/25/63/49/174256349.db2.gz RFSSZRWJLGMQKZ-UHFFFAOYSA-N 0 0 270.763 4.300 10 0 CIAERN CCc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417817 174256473 /nfs/dbraw/zinc/25/64/73/174256473.db2.gz WBRIWAYDEPPKBN-UHFFFAOYSA-N 0 0 270.763 4.300 10 0 CIAERN CCOc1cc(Cl)c([C@H](O)C(C)(C)C)cc1OCC ZINC000040451700 174266174 /nfs/dbraw/zinc/26/61/74/174266174.db2.gz YKYWEZYKXPKRMT-AWEZNQCLSA-N 0 0 286.799 4.217 10 0 CIAERN Nc1c(Oc2ccccc2)ncnc1Sc1ccccc1 ZINC000040783203 174405142 /nfs/dbraw/zinc/40/51/42/174405142.db2.gz ZFNVSJZOPILJPW-UHFFFAOYSA-N 0 0 295.367 4.002 10 0 CIAERN COc1cc(/C=C\c2ccc(OC)c(O)c2)cc2occc21 ZINC000040873488 174426681 /nfs/dbraw/zinc/42/66/81/174426681.db2.gz WKTSRPYICDVYET-ARJAWSKDSA-N 0 0 296.322 4.326 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Oc1ccc(C)cc1 ZINC000040950283 174438130 /nfs/dbraw/zinc/43/81/30/174438130.db2.gz LDILTUGPJRMZCP-JLHYYAGUSA-N 0 0 282.339 4.013 10 0 CIAERN CCCCOc1ccc(-c2cn3c(cccc3C)n2)cc1 ZINC000040980509 174445471 /nfs/dbraw/zinc/44/54/71/174445471.db2.gz RNADZIQJGNLZGB-UHFFFAOYSA-N 0 0 280.371 4.489 10 0 CIAERN CCc1ccc(C(=O)Oc2cccc(Cl)c2)cc1 ZINC000041008248 174448692 /nfs/dbraw/zinc/44/86/92/174448692.db2.gz HURCUVZUGHHPAN-UHFFFAOYSA-N 0 0 260.720 4.122 10 0 CIAERN Cc1ccc2c(NC(=O)c3ccc(F)cc3)ccnc2c1C ZINC000041057970 174465262 /nfs/dbraw/zinc/46/52/62/174465262.db2.gz DUHVAJPEBNJOKW-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN O=C(/C=C/c1ccco1)Nc1ccnc2cc(Cl)ccc21 ZINC000041057800 174465579 /nfs/dbraw/zinc/46/55/79/174465579.db2.gz RPEAKRODYUSBJY-GQCTYLIASA-N 0 0 298.729 4.133 10 0 CIAERN Cc1sc(-c2cccc(N)c2)nc1-c1cccs1 ZINC000041202188 174509921 /nfs/dbraw/zinc/50/99/21/174509921.db2.gz RQCPKRYUJJLOQE-UHFFFAOYSA-N 0 0 272.398 4.429 10 0 CIAERN CCCOc1ccc(C(=O)c2ccccc2C)cc1 ZINC000041324401 174520959 /nfs/dbraw/zinc/52/09/59/174520959.db2.gz QEDHYVKVMXMECX-UHFFFAOYSA-N 0 0 254.329 4.015 10 0 CIAERN CC(C)c1ccc(C[C@H](CO)Cc2ccccc2)cc1 ZINC000041388245 174543132 /nfs/dbraw/zinc/54/31/32/174543132.db2.gz BJIFWHOGHYQMSN-GOSISDBHSA-N 0 0 268.400 4.204 10 0 CIAERN Cc1cccc(OCCNc2c(C)cc(C)cc2C)c1 ZINC000041390193 174544522 /nfs/dbraw/zinc/54/45/22/174544522.db2.gz IHDIXLXBRICPOY-UHFFFAOYSA-N 0 0 269.388 4.411 10 0 CIAERN Cc1cc(C)c(NCCOc2ccccc2C)c(C)c1 ZINC000041390183 174544589 /nfs/dbraw/zinc/54/45/89/174544589.db2.gz GMMXDZKVFRXVMU-UHFFFAOYSA-N 0 0 269.388 4.411 10 0 CIAERN CCc1ccc(COc2ccc(C)cc2[C@H](C)O)cc1 ZINC000041392017 174545348 /nfs/dbraw/zinc/54/53/48/174545348.db2.gz AWKUBYRFTLTEBC-AWEZNQCLSA-N 0 0 270.372 4.190 10 0 CIAERN Cc1ccccc1C[C@@H](CO)Cc1ccccc1Cl ZINC000041412284 174549237 /nfs/dbraw/zinc/54/92/37/174549237.db2.gz JVTZSDBCZOWWLA-CQSZACIVSA-N 0 0 274.791 4.042 10 0 CIAERN Cc1cc(C)c2c(Cl)c(Br)cnc2c1 ZINC000041702386 174608459 /nfs/dbraw/zinc/60/84/59/174608459.db2.gz BVIOKIHPQVVYTN-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1N ZINC000042577817 174803478 /nfs/dbraw/zinc/80/34/78/174803478.db2.gz GIILXZVLSGVCJF-MFKMUULPSA-N 0 0 252.789 4.303 10 0 CIAERN CC(=O)c1cc(F)ccc1N(C)[C@H]1CCCC[C@@H]1C ZINC000042608041 174820432 /nfs/dbraw/zinc/82/04/32/174820432.db2.gz WUOBJXFWBOVGLR-NHYWBVRUSA-N 0 0 263.356 4.043 10 0 CIAERN C[C@H](N(C)c1ccc(C(F)(F)F)cc1N)C(C)(C)C ZINC000042739481 174861235 /nfs/dbraw/zinc/86/12/35/174861235.db2.gz ASBVJKGADPHJFV-VIFPVBQESA-N 0 0 274.330 4.158 10 0 CIAERN C[C@H]1CCCC[C@H]1CNc1ccc(Br)cc1N ZINC000042859921 174893075 /nfs/dbraw/zinc/89/30/75/174893075.db2.gz GJJFVACNTYIJAD-QWRGUYRKSA-N 0 0 297.240 4.270 10 0 CIAERN FC(F)(F)c1[nH]nc2c1CCCC2=Cc1ccccc1 ZINC000043463769 175052509 /nfs/dbraw/zinc/05/25/09/175052509.db2.gz NHAMTSCKNOEGMR-PKNBQFBNSA-N 0 0 278.277 4.305 10 0 CIAERN CCc1ccc(C(=O)c2ccc(Cl)s2)s1 ZINC000043639679 175084257 /nfs/dbraw/zinc/08/42/57/175084257.db2.gz DXODBQLHURTISF-UHFFFAOYSA-N 0 0 256.779 4.256 10 0 CIAERN C[C@@H]1CCC(=O)[C@H](Cc2ccc(Br)s2)C1 ZINC000043652063 175085482 /nfs/dbraw/zinc/08/54/82/175085482.db2.gz VYZMOXGHTKDYJY-BDAKNGLRSA-N 0 0 287.222 4.058 10 0 CIAERN O[C@@H](CCc1sccc1Br)c1ccccc1 ZINC000043677448 175088324 /nfs/dbraw/zinc/08/83/24/175088324.db2.gz JNZLRMXPIRXCRD-LBPRGKRZSA-N 0 0 297.217 4.177 10 0 CIAERN O=C1CCCCC[C@H]1Cc1cc(Br)cs1 ZINC000043687995 175094827 /nfs/dbraw/zinc/09/48/27/175094827.db2.gz XULXVALOMDXQMY-VIFPVBQESA-N 0 0 287.222 4.203 10 0 CIAERN CCCCCOCc1cc(Br)cs1 ZINC000043687642 175094842 /nfs/dbraw/zinc/09/48/42/175094842.db2.gz ACWKARAMOZJUEN-UHFFFAOYSA-N 0 0 263.200 4.217 10 0 CIAERN CCOc1ccc(/C=C\c2coc3ccccc3c2=O)cc1 ZINC000044605955 175215916 /nfs/dbraw/zinc/21/59/16/175215916.db2.gz JDSIFJAOSOAIPB-YFHOEESVSA-N 0 0 292.334 4.362 10 0 CIAERN Cc1ccc(C(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000047822035 175413922 /nfs/dbraw/zinc/41/39/22/175413922.db2.gz LLXAQSPMJXVHHW-UHFFFAOYSA-N 0 0 278.710 4.049 10 0 CIAERN CC(C)(C)c1ccc(Oc2nc(Cl)nc(Cl)n2)cc1 ZINC000061517833 175650031 /nfs/dbraw/zinc/65/00/31/175650031.db2.gz HRJUNDFYEFTHIW-UHFFFAOYSA-N 0 0 298.173 4.268 10 0 CIAERN Oc1cncc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000065339651 175709857 /nfs/dbraw/zinc/70/98/57/175709857.db2.gz OPMLHAIBWJZDRC-UHFFFAOYSA-N 0 0 277.323 4.033 10 0 CIAERN COC(=O)c1ccc(-c2ccc(Cl)c(O)c2)cc1Cl ZINC000065343624 175713382 /nfs/dbraw/zinc/71/33/82/175713382.db2.gz SKUXRXJXYHPQHE-UHFFFAOYSA-N 0 0 297.137 4.153 10 0 CIAERN Cc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC000065344001 175713703 /nfs/dbraw/zinc/71/37/03/175713703.db2.gz LMPNJWPXPWPPEL-UHFFFAOYSA-N 0 0 268.234 4.266 10 0 CIAERN COc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)c(C)c1 ZINC000065344171 175713919 /nfs/dbraw/zinc/71/39/19/175713919.db2.gz PJQOVRYYFLAONC-UHFFFAOYSA-N 0 0 298.260 4.275 10 0 CIAERN Oc1ccc(-c2ccccc2OCc2ccccc2)nc1 ZINC000065356131 175721631 /nfs/dbraw/zinc/72/16/31/175721631.db2.gz PGEZQBJKPPFKMN-UHFFFAOYSA-N 0 0 277.323 4.033 10 0 CIAERN CC(C)CSCCOc1ccc(Br)cc1 ZINC000070130577 175873240 /nfs/dbraw/zinc/87/32/40/175873240.db2.gz IEAWYOQWKVZEBJ-UHFFFAOYSA-N 0 0 289.238 4.217 10 0 CIAERN CN(Cc1ccc(Br)cc1F)c1ccccc1 ZINC000070136231 175873778 /nfs/dbraw/zinc/87/37/78/175873778.db2.gz FLDDDKTXVWLPSY-UHFFFAOYSA-N 0 0 294.167 4.225 10 0 CIAERN FC(F)(F)c1ccc2sc(-c3ccccn3)nc2c1 ZINC000070856622 176009323 /nfs/dbraw/zinc/00/93/23/176009323.db2.gz GVJGXQVSZRBVTD-UHFFFAOYSA-N 0 0 280.274 4.377 10 0 CIAERN CC(C)(C)CCNc1ccc(Br)cc1 ZINC000071085652 176030707 /nfs/dbraw/zinc/03/07/07/176030707.db2.gz FTEPZQYXERWZJZ-UHFFFAOYSA-N 0 0 256.187 4.297 10 0 CIAERN CC(C)(C)CCNc1cccc(Br)c1 ZINC000071085659 176030981 /nfs/dbraw/zinc/03/09/81/176030981.db2.gz ZTHJVVUYUZNBFF-UHFFFAOYSA-N 0 0 256.187 4.297 10 0 CIAERN CCCC[C@@H](CC)Cn1nc(C)c(Br)c1C ZINC000071085873 176030989 /nfs/dbraw/zinc/03/09/89/176030989.db2.gz LABHSRGMHXYVBZ-GFCCVEGCSA-N 0 0 287.245 4.479 10 0 CIAERN C[C@@H](O)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1 ZINC000071167963 176049553 /nfs/dbraw/zinc/04/95/53/176049553.db2.gz HTUCDBOBOLMHMJ-MRVPVSSYSA-N 0 0 284.689 4.464 10 0 CIAERN Cc1c(Cl)nnc(Nc2cccc(Cl)c2)c1C ZINC000071171058 176051565 /nfs/dbraw/zinc/05/15/65/176051565.db2.gz ACOHYAFWYUTBDL-UHFFFAOYSA-N 0 0 268.147 4.144 10 0 CIAERN CC(C)c1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=O ZINC000071193738 176075857 /nfs/dbraw/zinc/07/58/57/176075857.db2.gz UQZOJQNMMCVUCQ-UHFFFAOYSA-N 0 0 297.185 4.174 10 0 CIAERN Nc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000071456253 176178739 /nfs/dbraw/zinc/17/87/39/176178739.db2.gz VQZHILQXIMVRCH-UHFFFAOYSA-N 0 0 273.335 4.167 10 0 CIAERN Cc1ccc2c(c1)c(CO)c(Cl)n2Cc1ccccc1 ZINC000071465065 176181218 /nfs/dbraw/zinc/18/12/18/176181218.db2.gz KLQIJDFZLDNHTN-UHFFFAOYSA-N 0 0 285.774 4.144 10 0 CIAERN CC(=O)c1c(Cl)[nH]c2cc(Cl)c(Cl)cc21 ZINC000071466254 176182422 /nfs/dbraw/zinc/18/24/22/176182422.db2.gz RJDWPFHFAHHUDJ-UHFFFAOYSA-N 0 0 262.523 4.331 10 0 CIAERN CC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 ZINC000071609162 176231022 /nfs/dbraw/zinc/23/10/22/176231022.db2.gz UTANXXQFTWZOQY-UHFFFAOYSA-N 0 0 270.719 4.086 10 0 CIAERN CC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000071642700 176239732 /nfs/dbraw/zinc/23/97/32/176239732.db2.gz NEIOBZNVSHNAGH-UHFFFAOYSA-N 0 0 286.183 4.243 10 0 CIAERN CCc1cccc(C)c1Nc1ccc(Br)cn1 ZINC000071647537 176240681 /nfs/dbraw/zinc/24/06/81/176240681.db2.gz IBWWTUUSBKXXDM-UHFFFAOYSA-N 0 0 291.192 4.459 10 0 CIAERN Cc1ccc(-c2nccc(CCC(F)(F)F)n2)c(F)c1 ZINC000071735564 176257150 /nfs/dbraw/zinc/25/71/50/176257150.db2.gz RONCCFXFZMSHRA-UHFFFAOYSA-N 0 0 284.256 4.086 10 0 CIAERN OCc1cccc(-n2c3ccccc3c3ccccc32)c1 ZINC000071792097 176263395 /nfs/dbraw/zinc/26/33/95/176263395.db2.gz RIBDGOULYPSHFQ-UHFFFAOYSA-N 0 0 273.335 4.276 10 0 CIAERN Fc1ccc(-c2ccsc2Br)cc1 ZINC000072191897 176336270 /nfs/dbraw/zinc/33/62/70/176336270.db2.gz MVOMVRDYZUPXAN-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN FC(F)(F)c1cccc(-c2nc(Cl)cc(Cl)n2)c1 ZINC000072193247 176336791 /nfs/dbraw/zinc/33/67/91/176336791.db2.gz VTHOZCSKDRAOGU-UHFFFAOYSA-N 0 0 293.075 4.469 10 0 CIAERN Cc1cc(F)ccc1-c1cnc(Br)s1 ZINC000072204713 176342507 /nfs/dbraw/zinc/34/25/07/176342507.db2.gz FVUCYORNCQZQHV-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN Fc1ccc(C=C(Br)Br)c(F)c1 ZINC000075421022 176703007 /nfs/dbraw/zinc/70/30/07/176703007.db2.gz NPRHBPDKFFIYAR-UHFFFAOYSA-N 0 0 297.924 4.053 10 0 CIAERN FC(F)(F)c1ccc(-n2c3ncccc3[nH]c2=S)cc1 ZINC000075954801 176844941 /nfs/dbraw/zinc/84/49/41/176844941.db2.gz CAWVZXFEZJFZMK-UHFFFAOYSA-N 0 0 295.289 4.102 10 0 CIAERN Brc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000076500143 177029974 /nfs/dbraw/zinc/02/99/74/177029974.db2.gz WIVGYLSUAQYEPS-UHFFFAOYSA-N 0 0 279.181 4.373 10 0 CIAERN CC[C@@H](C)OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000078772428 177384942 /nfs/dbraw/zinc/38/49/42/177384942.db2.gz KJVVABVZXDOCQP-KGLIPLIRSA-N 0 0 262.393 4.330 10 0 CIAERN CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000078820029 177393657 /nfs/dbraw/zinc/39/36/57/177393657.db2.gz NNUGMBWOWKRTTF-UWVGGRQHSA-N 0 0 271.763 4.093 10 0 CIAERN CO[C@H]1CCC[C@@H](Nc2cc3ccccc3c(Cl)n2)C1 ZINC000301774633 227672494 /nfs/dbraw/zinc/67/24/94/227672494.db2.gz KSTUXYVDRDCGHR-OLZOCXBDSA-N 0 0 290.794 4.258 10 0 CIAERN C[C@H]1OCC[C@H]1Nc1nc(-c2ccccc2Cl)cs1 ZINC000302120563 227794630 /nfs/dbraw/zinc/79/46/30/227794630.db2.gz DHYZDPVPLNNGSC-BXKDBHETSA-N 0 0 294.807 4.053 10 0 CIAERN Cc1cc(Oc2ccc(C)c(F)c2)nc(-c2ccncc2)n1 ZINC000302840796 227892117 /nfs/dbraw/zinc/89/21/17/227892117.db2.gz CPRUMTBKJGDZRA-UHFFFAOYSA-N 0 0 295.317 4.087 10 0 CIAERN C[C@H](NC(=O)c1ccoc1Cl)c1ccc(Cl)s1 ZINC000192395091 228076817 /nfs/dbraw/zinc/07/68/17/228076817.db2.gz FLOFRNWKLNMJIX-LURJTMIESA-N 0 0 290.171 4.139 10 0 CIAERN Cc1nc(N[C@@H]2CCCc3ccccc32)sc1C ZINC000087302738 260036454 /nfs/dbraw/zinc/03/64/54/260036454.db2.gz ULZMQZSYADSJKG-CQSZACIVSA-N 0 0 258.390 4.249 10 0 CIAERN COCCC[C@H](C)Nc1cc(C)c(C)c2ncccc12 ZINC000179982774 260085516 /nfs/dbraw/zinc/08/55/16/260085516.db2.gz WKYDNWYSELMIEV-ZDUSSCGKSA-N 0 0 272.392 4.079 10 0 CIAERN C[C@H]1C[C@H](C(=O)N(C)c2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180339703 260098382 /nfs/dbraw/zinc/09/83/82/260098382.db2.gz AYONEBMKJDYCPG-RYUDHWBXSA-N 0 0 294.826 4.160 10 0 CIAERN CCCCc1ccc(N[C@@H](C)c2cn(C)nc2C)cc1 ZINC000087407064 260144250 /nfs/dbraw/zinc/14/42/50/260144250.db2.gz PNPVNVINTRMKCD-ZDUSSCGKSA-N 0 0 271.408 4.244 10 0 CIAERN CC[C@H](Nc1cn(C)nc1C(C)C)c1ccc(C)cc1 ZINC000312705128 260192824 /nfs/dbraw/zinc/19/28/24/260192824.db2.gz DKKFRMDORUUJLY-HNNXBMFYSA-N 0 0 271.408 4.415 10 0 CIAERN C[C@@H](N[C@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963161 260264063 /nfs/dbraw/zinc/26/40/63/260264063.db2.gz ODIVLEYMISFHEQ-ABAIWWIYSA-N 0 0 289.325 4.139 10 0 CIAERN CCCn1ccc(CNc2ccccc2N2CCCC2)c1 ZINC000091010610 260264651 /nfs/dbraw/zinc/26/46/51/260264651.db2.gz AHWUFDGJJBAGDP-UHFFFAOYSA-N 0 0 283.419 4.110 10 0 CIAERN CCCn1ccc(CNc2cccc3cccnc32)c1 ZINC000091009018 260264747 /nfs/dbraw/zinc/26/47/47/260264747.db2.gz ZINDWBVFFXPKCR-UHFFFAOYSA-N 0 0 265.360 4.058 10 0 CIAERN CCCn1ccc(CN[C@H](C)c2c(F)cccc2F)c1 ZINC000091012340 260264834 /nfs/dbraw/zinc/26/48/34/260264834.db2.gz FYZICAZZSYYCNO-GFCCVEGCSA-N 0 0 278.346 4.027 10 0 CIAERN CCCc1nsc(N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000087641160 260413243 /nfs/dbraw/zinc/41/32/43/260413243.db2.gz BAILBEJUVMRFIV-ZETCQYMHSA-N 0 0 287.841 4.379 10 0 CIAERN C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1ccc(Cl)s1 ZINC000091235273 260437942 /nfs/dbraw/zinc/43/79/42/260437942.db2.gz OLOORYRTGMTOBK-AEJSXWLSSA-N 0 0 286.828 4.045 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)Nc2c(C)cccc2Cl)o1 ZINC000133156813 260900939 /nfs/dbraw/zinc/90/09/39/260900939.db2.gz VOIVLVDGHHZPNG-LLVKDONJSA-N 0 0 292.766 4.433 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)C=C2CCC2)o1 ZINC000153079573 261072883 /nfs/dbraw/zinc/07/28/83/261072883.db2.gz PWAJMYMNMVRFKH-OAHLLOKOSA-N 0 0 273.376 4.006 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(C)c2F)cc1F ZINC000161607315 261098886 /nfs/dbraw/zinc/09/88/86/261098886.db2.gz GWYCAFVUGKGPSF-GFCCVEGCSA-N 0 0 289.325 4.073 10 0 CIAERN CO[C@H](CCC(=O)c1ccccc1)c1ccccc1 ZINC000001041993 261195023 /nfs/dbraw/zinc/19/50/23/261195023.db2.gz OLBTXPZIOASUQE-QGZVFWFLSA-N 0 0 254.329 4.037 10 0 CIAERN CC(C)n1ccnc1CSCc1ccc(F)c(F)c1 ZINC000175275603 261218264 /nfs/dbraw/zinc/21/82/64/261218264.db2.gz KHJUYFZARXWVNU-UHFFFAOYSA-N 0 0 282.359 4.176 10 0 CIAERN CCn1ccnc1CS[C@@H](C)c1cccc(C)c1 ZINC000175301386 261220666 /nfs/dbraw/zinc/22/06/66/261220666.db2.gz ITUVWZXZLUKIPS-ZDUSSCGKSA-N 0 0 260.406 4.206 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)CCCc2ccc(C)s2)o1 ZINC000175975890 261258428 /nfs/dbraw/zinc/25/84/28/261258428.db2.gz ITSQGOGZLCBIOJ-ZDUSSCGKSA-N 0 0 291.416 4.158 10 0 CIAERN CC[C@H](NC(=O)c1cc(C)ccc1F)c1ccccc1 ZINC000053009961 261259064 /nfs/dbraw/zinc/25/90/64/261259064.db2.gz KFYXNXVFGKAFBB-INIZCTEOSA-N 0 0 271.335 4.015 10 0 CIAERN Cc1c(Cl)cccc1N[C@H](C)c1cncs1 ZINC000163034977 261303074 /nfs/dbraw/zinc/30/30/74/261303074.db2.gz OPPZZUUDCAPEBC-SECBINFHSA-N 0 0 252.770 4.278 10 0 CIAERN Cc1ccc(N[C@H](C)c2cncs2)c(Cl)c1 ZINC000163059749 261304393 /nfs/dbraw/zinc/30/43/93/261304393.db2.gz WOZJPMDGMSNJSY-SECBINFHSA-N 0 0 252.770 4.278 10 0 CIAERN C[C@@H](C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000163822543 261330851 /nfs/dbraw/zinc/33/08/51/261330851.db2.gz KIZBBTYZIMUBBO-KWCYVHTRSA-N 0 0 299.336 4.027 10 0 CIAERN C[C@@H](CC(=O)Nc1ccc2c(c1)CCCN2)C(C)(C)C ZINC000111646806 261532299 /nfs/dbraw/zinc/53/22/99/261532299.db2.gz FMXFLNAVLRKZJS-LBPRGKRZSA-N 0 0 274.408 4.056 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ncccc2C)o1 ZINC000173648267 261540963 /nfs/dbraw/zinc/54/09/63/261540963.db2.gz QALQEPRIZIIBCK-CQSZACIVSA-N 0 0 299.374 4.051 10 0 CIAERN CC(C)[C@H](C)NC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000174517587 261574948 /nfs/dbraw/zinc/57/49/48/261574948.db2.gz KIONOGWIJBCRLL-ZDUSSCGKSA-N 0 0 299.374 4.040 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000175337936 261604289 /nfs/dbraw/zinc/60/42/89/261604289.db2.gz RZAOFCNBKJFMBI-HACGYAERSA-N 0 0 298.386 4.052 10 0 CIAERN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000182008812 261918560 /nfs/dbraw/zinc/91/85/60/261918560.db2.gz 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CIAERN CC[C@H](Nc1nc2ccccc2n1C)c1ccccc1 ZINC000079046709 334146537 /nfs/dbraw/zinc/14/65/37/334146537.db2.gz YTEVNVZKAOPRTN-AWEZNQCLSA-N 0 0 265.360 4.137 10 0 CIAERN CC[C@@H]1CC[C@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000080427870 334171232 /nfs/dbraw/zinc/17/12/32/334171232.db2.gz COYWFBWHWBGOME-WBMJQRKESA-N 0 0 272.392 4.026 10 0 CIAERN CC[C@@H]1CC[C@H](Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000080427094 334171335 /nfs/dbraw/zinc/17/13/35/334171335.db2.gz LLBHUHOHGCWPHH-WBMJQRKESA-N 0 0 272.392 4.026 10 0 CIAERN CC[C@@H]1CC[C@@H](Nc2ccc(-c3cnco3)cc2)C1 ZINC000080492346 334172151 /nfs/dbraw/zinc/17/21/51/334172151.db2.gz ATXQEPIDNGWIFH-IUODEOHRSA-N 0 0 256.349 4.332 10 0 CIAERN COc1cccc(/C(C)=C/c2nc(C3CCCC3)no2)c1 ZINC000081533338 334195022 /nfs/dbraw/zinc/19/50/22/334195022.db2.gz JMKLXQVTRQOTSL-ZRDIBKRKSA-N 0 0 284.359 4.296 10 0 CIAERN COCc1ccccc1N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000081631230 334201175 /nfs/dbraw/zinc/20/11/75/334201175.db2.gz HPBJETCLPHIKBX-ZBFHGGJFSA-N 0 0 259.393 4.214 10 0 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CC(C)Oc1ccc([C@H](O)C2CCCCCC2)cc1 ZINC000053715953 519781870 /nfs/dbraw/zinc/78/18/70/519781870.db2.gz FAQWSQUSQIRRHU-QGZVFWFLSA-N 0 0 262.393 4.478 10 0 CIAERN CC(C)c1cc(N)nc(-c2c(Cl)cccc2Cl)n1 ZINC000050867036 519833025 /nfs/dbraw/zinc/83/30/25/519833025.db2.gz UOLSEKSGZRAMEK-UHFFFAOYSA-N 0 0 282.174 4.156 10 0 CIAERN CC(C)c1cc(N)nc(Cc2ccc(Cl)cc2Cl)n1 ZINC000050846511 519833187 /nfs/dbraw/zinc/83/31/87/519833187.db2.gz TYSAZWPZYFAAIA-UHFFFAOYSA-N 0 0 296.201 4.080 10 0 CIAERN CC(C)c1ccc([C@H](CC(=O)[O-])[NH+]2CCCCCC2)cc1 ZINC000057601764 519840027 /nfs/dbraw/zinc/84/00/27/519840027.db2.gz SJXAPSMNOPBRKJ-KRWDZBQOSA-N 0 0 289.419 4.202 10 0 CIAERN CC(C)c1nc(CSc2ccc(F)cc2N)cs1 ZINC000049277058 519864878 /nfs/dbraw/zinc/86/48/78/519864878.db2.gz XAMDAZWSXMPBLR-UHFFFAOYSA-N 0 0 282.409 4.280 10 0 CIAERN CC(C)n1cc(Nc2ccccc2C(F)(F)F)cn1 ZINC000061683600 519967523 /nfs/dbraw/zinc/96/75/23/519967523.db2.gz ZCOJHYSOFRPWIR-UHFFFAOYSA-N 0 0 269.270 4.226 10 0 CIAERN CCCCCCOc1nnc(Cl)c2ccccc21 ZINC000050528603 520108371 /nfs/dbraw/zinc/10/83/71/520108371.db2.gz HVKMTZYJRXXAAI-UHFFFAOYSA-N 0 0 264.756 4.242 10 0 CIAERN CCCNc1cc(C(F)F)nc2c(OC)cccc12 ZINC000061629519 520134249 /nfs/dbraw/zinc/13/42/49/520134249.db2.gz OYZMLVRGUVTWJR-UHFFFAOYSA-N 0 0 266.291 4.003 10 0 CIAERN CCCNc1ncccc1CSc1ccccc1 ZINC000052755888 520196549 /nfs/dbraw/zinc/19/65/49/520196549.db2.gz SJRFPCQJBBIFEL-UHFFFAOYSA-N 0 0 258.390 4.196 10 0 CIAERN CCNc1ccc(CSc2ccc(Cl)cc2)cn1 ZINC000050833804 520304425 /nfs/dbraw/zinc/30/44/25/520304425.db2.gz WLOVKGPPAUYESD-UHFFFAOYSA-N 0 0 278.808 4.459 10 0 CIAERN CCCOc1ccc(Cl)cc1N[C@@H]1CCCSC1 ZINC000061588543 520381966 /nfs/dbraw/zinc/38/19/66/520381966.db2.gz MVUDHPWPXKUVRI-GFCCVEGCSA-N 0 0 285.840 4.436 10 0 CIAERN CCCOc1ccc(NCc2ccccc2C)cc1 ZINC000051785080 520401267 /nfs/dbraw/zinc/40/12/67/520401267.db2.gz YAJPOPZVTCASQP-UHFFFAOYSA-N 0 0 255.361 4.396 10 0 CIAERN CCCOc1ccc(Oc2cc(Cl)nc(C)n2)cc1 ZINC000052835202 520409626 /nfs/dbraw/zinc/40/96/26/520409626.db2.gz JENGQSQNUFRPFV-UHFFFAOYSA-N 0 0 278.739 4.020 10 0 CIAERN CC1(C)Cc2nc(-c3ccccc3Cl)sc2[C@@H](O)C1 ZINC000050438933 520584648 /nfs/dbraw/zinc/58/46/48/520584648.db2.gz MKZCVUUDMTXMCD-LBPRGKRZSA-N 0 0 293.819 4.469 10 0 CIAERN CCOc1ccc(-c2nc(C(C)(C)C)sc2N)cc1 ZINC000050309271 520816080 /nfs/dbraw/zinc/81/60/80/520816080.db2.gz BICQLGXHRFYMCE-UHFFFAOYSA-N 0 0 276.405 4.089 10 0 CIAERN CCC[C@H](Nc1cc(Cl)ncn1)c1cccs1 ZINC000049549096 521179482 /nfs/dbraw/zinc/17/94/82/521179482.db2.gz AJBHNFITOXEITI-VIFPVBQESA-N 0 0 267.785 4.145 10 0 CIAERN CCCC1N=NC(=S)N1[C@@H](CC)C1CCCCC1 ZINC000052341466 521569746 /nfs/dbraw/zinc/56/97/46/521569746.db2.gz YKIZFXJIZKLFGO-LBPRGKRZSA-N 0 0 267.442 4.051 10 0 CIAERN COC(=O)c1cc(C)ccc1N[C@@H](C)c1ccsc1 ZINC000050340899 521823469 /nfs/dbraw/zinc/82/34/69/521823469.db2.gz PULOUVOZCONBNZ-NSHDSACASA-N 0 0 275.373 4.016 10 0 CIAERN CCc1ccccc1CNc1ccc(F)cc1OC ZINC000052203107 521845965 /nfs/dbraw/zinc/84/59/65/521845965.db2.gz QMZWPFYSTWGKBF-UHFFFAOYSA-N 0 0 259.324 4.009 10 0 CIAERN CCc1nc2c(o1)c(Cl)c(Br)cc2Cl ZINC000062560933 522473006 /nfs/dbraw/zinc/47/30/06/522473006.db2.gz BHVLTOJIGSUJNT-UHFFFAOYSA-N 0 0 294.963 4.460 10 0 CIAERN COC[C@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000103391590 522554402 /nfs/dbraw/zinc/55/44/02/522554402.db2.gz IQGBEGWJOXJACU-LBPRGKRZSA-N 0 0 295.448 4.107 10 0 CIAERN CC[C@H](Nc1cccc2ncccc21)c1ccco1 ZINC000054082633 522774425 /nfs/dbraw/zinc/77/44/25/522774425.db2.gz GSJPXWWRLRJZKX-ZDUSSCGKSA-N 0 0 252.317 4.391 10 0 CIAERN CC[C@H](c1cccs1)n1c(=S)[nH]nc1C(C)C ZINC000049531467 522952662 /nfs/dbraw/zinc/95/26/62/522952662.db2.gz CIVYWIFWRZHQMN-SECBINFHSA-N 0 0 267.423 4.125 10 0 CIAERN CC[C@@H](O)c1ccc(-c2cc(Br)ccc2C)o1 ZINC000054107531 523012284 /nfs/dbraw/zinc/01/22/84/523012284.db2.gz MJKBAQPRTZEKNR-GFCCVEGCSA-N 0 0 295.176 4.461 10 0 CIAERN COc1ccc(-n2c(=S)[nH]c3ccccc32)c(C)c1 ZINC000061568432 523310830 /nfs/dbraw/zinc/31/08/30/523310830.db2.gz FIKDGPHSAJZOLH-UHFFFAOYSA-N 0 0 270.357 4.005 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@@H]2C=CCC2)o1 ZINC000128523522 524034395 /nfs/dbraw/zinc/03/43/95/524034395.db2.gz RVZIIQGHHVXCKY-ZBFHGGJFSA-N 0 0 287.403 4.252 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@@H](C)SC)o1 ZINC000123688339 524034444 /nfs/dbraw/zinc/03/44/44/524034444.db2.gz PBVZKWDZWMFUKH-OCCSQVGLSA-N 0 0 295.448 4.037 10 0 CIAERN CCc1ccc([C@H](C)N[C@H](C)c2csc(C)n2)cc1 ZINC000036958559 524047534 /nfs/dbraw/zinc/04/75/34/524047534.db2.gz VCQCUCIKUAWKCC-NWDGAFQWSA-N 0 0 274.433 4.426 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@@H]2C=CCC2)o1 ZINC000128523748 524053140 /nfs/dbraw/zinc/05/31/40/524053140.db2.gz RVZIIQGHHVXCKY-GDBMZVCRSA-N 0 0 287.403 4.252 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)o1 ZINC000128612279 524053245 /nfs/dbraw/zinc/05/32/45/524053245.db2.gz JRMNZKWXOFKRJY-GOEBONIOSA-N 0 0 287.403 4.252 10 0 CIAERN CCc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1 ZINC000054644800 524061633 /nfs/dbraw/zinc/06/16/33/524061633.db2.gz DWOOZNCLSKRNDA-UHFFFAOYSA-N 0 0 286.356 4.012 10 0 CIAERN Cc1ccc(C)c(C[C@H](O)c2cc(Cl)ccc2F)c1 ZINC000062142982 524110413 /nfs/dbraw/zinc/11/04/13/524110413.db2.gz AHBSBEJVMPEMAU-INIZCTEOSA-N 0 0 278.754 4.372 10 0 CIAERN C[C@@H]1CCC[C@H](SCc2nc(N)ccc2Cl)C1 ZINC000061640809 524412910 /nfs/dbraw/zinc/41/29/10/524412910.db2.gz CYKAAUMCZMPHHX-ZJUUUORDSA-N 0 0 270.829 4.129 10 0 CIAERN Cc1cccc(N(C)Cc2nc(Cl)ccc2Cl)c1 ZINC000061631467 524519402 /nfs/dbraw/zinc/51/94/02/524519402.db2.gz TWSBAUWZSMGAJU-UHFFFAOYSA-N 0 0 281.186 4.333 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@H](C)c1ccccc1Cl ZINC000049508852 524608638 /nfs/dbraw/zinc/60/86/38/524608638.db2.gz ATUAUIHYNBJEEM-GFCCVEGCSA-N 0 0 261.752 4.180 10 0 CIAERN Cc1ccc(C[C@@H](O)c2cc3c(s2)CCC3)cc1C ZINC000062137664 524665226 /nfs/dbraw/zinc/66/52/26/524665226.db2.gz ANSLXIMVKUPUFQ-OAHLLOKOSA-N 0 0 272.413 4.130 10 0 CIAERN COc1ccc(NCc2ccc(Cl)c(F)c2)c(C)c1 ZINC000061566843 524679502 /nfs/dbraw/zinc/67/95/02/524679502.db2.gz PODXUFMSORDULX-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN Cc1cccc(Oc2ccc([C@H](C)O)cc2Cl)c1 ZINC000061697582 524787084 /nfs/dbraw/zinc/78/70/84/524787084.db2.gz KTXDTDXAYQDDGA-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN Cc1cc(CNc2ccc(Cl)cc2F)c(C)n1C ZINC000052790051 524788031 /nfs/dbraw/zinc/78/80/31/524788031.db2.gz BCZFDAAPOHVFAK-UHFFFAOYSA-N 0 0 266.747 4.047 10 0 CIAERN Cc1cc(CNc2cccc(Br)c2)c(C)n1C ZINC000052789599 524790208 /nfs/dbraw/zinc/79/02/08/524790208.db2.gz SQGXEZPXNSLOGQ-UHFFFAOYSA-N 0 0 293.208 4.017 10 0 CIAERN COc1ccccc1[C@](C)(O)c1cccc(Cl)c1Cl ZINC000055191738 524818476 /nfs/dbraw/zinc/81/84/76/524818476.db2.gz LVLQNIAPFWRQQJ-HNNXBMFYSA-N 0 0 297.181 4.258 10 0 CIAERN Cc1ccc(F)c([C@@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785453 524835705 /nfs/dbraw/zinc/83/57/05/524835705.db2.gz DOUBZVWRSXHQOG-AWEZNQCLSA-N 0 0 268.690 4.008 10 0 CIAERN Cc1ccc(F)c([C@](C)(O)c2ccc(C)c(C)c2)c1 ZINC000055193129 524836404 /nfs/dbraw/zinc/83/64/04/524836404.db2.gz DATIYZWCNRNXIP-QGZVFWFLSA-N 0 0 258.336 4.007 10 0 CIAERN Cc1cc(Cl)cc2c1O[C@H](c1ccc(F)cc1)CN2 ZINC000062557077 524880012 /nfs/dbraw/zinc/88/00/12/524880012.db2.gz XUFKHCABLGXCKT-AWEZNQCLSA-N 0 0 277.726 4.333 10 0 CIAERN Cc1cccc([C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055201998 524886005 /nfs/dbraw/zinc/88/60/05/524886005.db2.gz MOSJNPCHJJEUIY-CQSZACIVSA-N 0 0 266.262 4.096 10 0 CIAERN C[C@@H](Cc1ccco1)Nc1cc(Cl)ccc1N(C)C ZINC000062771541 524929773 /nfs/dbraw/zinc/92/97/73/524929773.db2.gz FRNGQPDRBAVCCT-NSHDSACASA-N 0 0 278.783 4.042 10 0 CIAERN Cc1cc(N(C)Cc2ccc(Cl)s2)ccc1C=O ZINC000050569585 525029915 /nfs/dbraw/zinc/02/99/15/525029915.db2.gz DYKPPPHXSXYQHT-UHFFFAOYSA-N 0 0 279.792 4.159 10 0 CIAERN Cc1cc(N)cnc1Nc1ccc(Cl)c(Cl)c1 ZINC000052812471 525041084 /nfs/dbraw/zinc/04/10/84/525041084.db2.gz OGCWUWBQAFKBHF-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2cccn2C)cc1 ZINC000083055153 525123663 /nfs/dbraw/zinc/12/36/63/525123663.db2.gz RCZRPNLEWPVJIH-KRWDZBQOSA-N 0 0 297.402 4.093 10 0 CIAERN C[C@](O)(c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000055190634 525188301 /nfs/dbraw/zinc/18/83/01/525188301.db2.gz RGHRDFMTBZZRFI-AWEZNQCLSA-N 0 0 285.145 4.388 10 0 CIAERN Cc1ccccc1Cc1nc(C)c(C(C)C)c(Cl)n1 ZINC000061689173 525201452 /nfs/dbraw/zinc/20/14/52/525201452.db2.gz QNDMKMSANJCIFT-UHFFFAOYSA-N 0 0 274.795 4.461 10 0 CIAERN Cc1ccccc1N(C)c1ccc([C@H](C)O)cc1Cl ZINC000061696962 525217518 /nfs/dbraw/zinc/21/75/18/525217518.db2.gz ZADOJZPLLBMHPY-LBPRGKRZSA-N 0 0 275.779 4.470 10 0 CIAERN Cc1cc(N[C@@H](C)c2ccccc2Cl)ccc1N ZINC000049506570 525293911 /nfs/dbraw/zinc/29/39/11/525293911.db2.gz SKGPQGJHHDMRFQ-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Nc2c(N)ccc(F)c2F)cc1Cl ZINC000053163849 525322645 /nfs/dbraw/zinc/32/26/45/525322645.db2.gz FOAOCFOKKNQFBP-UHFFFAOYSA-N 0 0 268.694 4.252 10 0 CIAERN Cc1ccc(Nc2ccc(Cl)cc2F)cc1N ZINC000061701638 525322691 /nfs/dbraw/zinc/32/26/91/525322691.db2.gz BLYVYZVDGZSCPR-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN CSCCCCNc1ccnc2c(F)cc(F)cc12 ZINC000302545035 525437570 /nfs/dbraw/zinc/43/75/70/525437570.db2.gz ULLSUNQQIWLSEV-UHFFFAOYSA-N 0 0 282.359 4.068 10 0 CIAERN C[C@@H]1C[C@H](OCc2ccnc(Cl)c2)CC(C)(C)C1 ZINC000052725331 525457639 /nfs/dbraw/zinc/45/76/39/525457639.db2.gz GJOQDDBJWSNJSB-YPMHNXCESA-N 0 0 267.800 4.466 10 0 CIAERN Cc1ccc(Oc2cccc(Cl)c2C(N)=S)cc1C ZINC000052908329 525476067 /nfs/dbraw/zinc/47/60/67/525476067.db2.gz ISKDRFCVTMOIEZ-UHFFFAOYSA-N 0 0 291.803 4.383 10 0 CIAERN Cc1cc([C@@H](C)Nc2ccc(C)cc2N)c(C)s1 ZINC000049506161 525477929 /nfs/dbraw/zinc/47/79/29/525477929.db2.gz ZKECEVBZSMUWBB-LLVKDONJSA-N 0 0 260.406 4.429 10 0 CIAERN Cc1cc([C@H](C)n2c(=S)[nH]nc2C(C)C)c(C)s1 ZINC000049509963 525533943 /nfs/dbraw/zinc/53/39/43/525533943.db2.gz LSQFFGXSYGHIAK-VIFPVBQESA-N 0 0 281.450 4.352 10 0 CIAERN Cc1cc([C@H](C)Nc2cccc(N)c2C)c(C)s1 ZINC000062724992 525534564 /nfs/dbraw/zinc/53/45/64/525534564.db2.gz DJQRWXUMJJHDKE-NSHDSACASA-N 0 0 260.406 4.429 10 0 CIAERN C[C@H](Nc1cccc(F)c1N)c1cccc(Cl)c1 ZINC000049515283 525667369 /nfs/dbraw/zinc/66/73/69/525667369.db2.gz JGCUNEDNBBGWMO-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1cnc2ccccc2c1)c1ccsc1 ZINC000050341464 525675309 /nfs/dbraw/zinc/67/53/09/525675309.db2.gz JTNSWTHTUUEWON-NSHDSACASA-N 0 0 254.358 4.469 10 0 CIAERN C[C@@H](Nc1cc(F)ccc1N)c1ccccc1Cl ZINC000052121639 525698842 /nfs/dbraw/zinc/69/88/42/525698842.db2.gz OFWCINMIJGKTEA-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cn1)c1ccccc1F ZINC000049531077 525704330 /nfs/dbraw/zinc/70/43/30/525704330.db2.gz WSOIVIVSIBYMTM-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN C[C@@H](Nc1ccc2ncccc2c1N)c1ccsc1 ZINC000061361354 525714756 /nfs/dbraw/zinc/71/47/56/525714756.db2.gz CUCRLBDJQBNRLT-SNVBAGLBSA-N 0 0 269.373 4.052 10 0 CIAERN C[C@@H](Nc1cccc(C(F)(F)F)n1)c1cccs1 ZINC000044271398 525716669 /nfs/dbraw/zinc/71/66/69/525716669.db2.gz KJZRPYSIXNZQOC-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN C[C@@H](Nc1ncc(C(F)(F)F)s1)c1cccc(O)c1 ZINC000276952130 525728148 /nfs/dbraw/zinc/72/81/48/525728148.db2.gz VOOIGOIXFSKGOH-SSDOTTSWSA-N 0 0 288.294 4.041 10 0 CIAERN Cc1c(Cl)cccc1Nc1cc(F)ccc1N ZINC000052119555 525780400 /nfs/dbraw/zinc/78/04/00/525780400.db2.gz ZEDDUDYMRFQHKL-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN C[C@@](O)(c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000055190632 525781111 /nfs/dbraw/zinc/78/11/11/525781111.db2.gz RGHRDFMTBZZRFI-CQSZACIVSA-N 0 0 285.145 4.388 10 0 CIAERN Cc1ccc([C@@H](O)Cc2cccc(Cl)c2)c(C)c1 ZINC000052945422 525783879 /nfs/dbraw/zinc/78/38/79/525783879.db2.gz CLRLVPCXRSWFKR-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN Cc1c(N)cccc1N1CCC2(CCCCC2)CC1 ZINC000062725500 525819996 /nfs/dbraw/zinc/81/99/96/525819996.db2.gz VXSCSHJWQVCENG-UHFFFAOYSA-N 0 0 258.409 4.128 10 0 CIAERN Cc1c(N)cccc1Sc1ccc(F)c(F)c1 ZINC000062725588 525822377 /nfs/dbraw/zinc/82/23/77/525822377.db2.gz BCLZHUUTZSMLMI-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN Cc1ccc(-c2ncsc2Br)cc1C ZINC000057556013 525836740 /nfs/dbraw/zinc/83/67/40/525836740.db2.gz NXIOOWGWRNEPEK-UHFFFAOYSA-N 0 0 268.179 4.189 10 0 CIAERN C[C@H](O)c1ccc(Oc2ccc(F)cc2)c(Cl)c1 ZINC000061697595 525858169 /nfs/dbraw/zinc/85/81/69/525858169.db2.gz PPRRKNLGBXXPCJ-VIFPVBQESA-N 0 0 266.699 4.325 10 0 CIAERN C[C@@H](O)c1ccc(N2CCc3sccc3C2)c(Cl)c1 ZINC000061694706 525869239 /nfs/dbraw/zinc/86/92/39/525869239.db2.gz OTYRGXTYOCZRIC-SNVBAGLBSA-N 0 0 293.819 4.018 10 0 CIAERN C[C@@H](O)c1cnc(N(C)[C@H](C)c2cccc(Cl)c2)s1 ZINC000062028051 525881644 /nfs/dbraw/zinc/88/16/44/525881644.db2.gz SEQHFAIYBXFMHC-NXEZZACHSA-N 0 0 296.823 4.047 10 0 CIAERN Cc1cn(Cc2ccc(Cl)cc2N)c2ccccc12 ZINC000050443393 525910905 /nfs/dbraw/zinc/91/09/05/525910905.db2.gz KCGWDQGJZKJSLL-UHFFFAOYSA-N 0 0 270.763 4.234 10 0 CIAERN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)cn2)o1 ZINC000274884398 525942624 /nfs/dbraw/zinc/94/26/24/525942624.db2.gz ICYVWXIBZKJGON-MNOVXSKESA-N 0 0 264.756 4.048 10 0 CIAERN Cc1ccc([C@H](O)[C@H]2CCCc3ccccc32)cc1 ZINC000054669417 525979094 /nfs/dbraw/zinc/97/90/94/525979094.db2.gz INBNXKPPTBRHMA-ROUUACIJSA-N 0 0 252.357 4.149 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)CCC(C)C)o1 ZINC000127445797 525992081 /nfs/dbraw/zinc/99/20/81/525992081.db2.gz GSLSSVPIUMLEEY-CQSZACIVSA-N 0 0 263.381 4.078 10 0 CIAERN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C(C)C)s1 ZINC000048622259 526042411 /nfs/dbraw/zinc/04/24/11/526042411.db2.gz IMMUXHQSPUHUSO-HNNXBMFYSA-N 0 0 286.400 4.031 10 0 CIAERN Cc1cc(C(=O)CS[C@@H]2CCC[C@@H](C)C2)c(C)n1C ZINC000054693002 526213505 /nfs/dbraw/zinc/21/35/05/526213505.db2.gz IOEJSAMPYXFZOK-BXUZGUMPSA-N 0 0 279.449 4.137 10 0 CIAERN Cc1ccc2c(n1)nc(C)cc2Nc1ccc(O)cc1C ZINC000047162432 526223541 /nfs/dbraw/zinc/22/35/41/526223541.db2.gz FVDLTJPYLCHSDB-UHFFFAOYSA-N 0 0 279.343 4.004 10 0 CIAERN O[C@H](Cc1c(F)cccc1Cl)c1ccccc1Cl ZINC000050438722 526294271 /nfs/dbraw/zinc/29/42/71/526294271.db2.gz ZILQIMQZYFFUAK-CQSZACIVSA-N 0 0 285.145 4.409 10 0 CIAERN O[C@H](c1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000055200990 526300790 /nfs/dbraw/zinc/30/07/90/526300790.db2.gz UVQBPZROXIIDFX-CYBMUJFWSA-N 0 0 271.118 4.214 10 0 CIAERN Fc1cc(F)c2nccc(N3Cc4ccccc4C3)c2c1 ZINC000159357319 526305635 /nfs/dbraw/zinc/30/56/35/526305635.db2.gz PSHJBLQMDFKMDK-UHFFFAOYSA-N 0 0 282.293 4.033 10 0 CIAERN Fc1ccc(-c2nc3c(c(Cl)n2)CCC3)c(Cl)c1 ZINC000061845380 526316206 /nfs/dbraw/zinc/31/62/06/526316206.db2.gz DSQKZGXIOGOYLF-UHFFFAOYSA-N 0 0 283.133 4.078 10 0 CIAERN O=C(CC1CCC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151704517 526350283 /nfs/dbraw/zinc/35/02/83/526350283.db2.gz PVTAPHWZNYFHTJ-MRXNPFEDSA-N 0 0 299.414 4.129 10 0 CIAERN Oc1cccc(NCc2csc3ccccc23)c1 ZINC000054462752 526365321 /nfs/dbraw/zinc/36/53/21/526365321.db2.gz CZVOCFSVLQHIMI-UHFFFAOYSA-N 0 0 255.342 4.219 10 0 CIAERN Fc1ccc([C@H]2CNc3cccc(Cl)c3O2)cc1 ZINC000062540066 526367459 /nfs/dbraw/zinc/36/74/59/526367459.db2.gz LIFLLJXUXREEFO-CYBMUJFWSA-N 0 0 263.699 4.025 10 0 CIAERN CC(C)(C)[C@@H](Nc1ccc2nccnc2n1)c1cccs1 ZINC000301592617 526639904 /nfs/dbraw/zinc/63/99/04/526639904.db2.gz YRDMWXZFPWQFIA-AWEZNQCLSA-N 0 0 298.415 4.286 10 0 CIAERN O=C(c1ccc(Cl)cc1)C1(c2ccccc2)CC1 ZINC000061617649 526673981 /nfs/dbraw/zinc/67/39/81/526673981.db2.gz GQKBWQRMYGYMQR-UHFFFAOYSA-N 0 0 256.732 4.255 10 0 CIAERN Cc1nc(C)c([C@H](C)Nc2ccc(N)cc2Cl)s1 ZINC000049533788 526756458 /nfs/dbraw/zinc/75/64/58/526756458.db2.gz VZLHSFGXKHWTDR-QMMMGPOBSA-N 0 0 281.812 4.169 10 0 CIAERN O=C(c1ccccc1)C1(c2ccccc2)CCCC1 ZINC000062782515 526789571 /nfs/dbraw/zinc/78/95/71/526789571.db2.gz OIGGHGCGNPUHKP-UHFFFAOYSA-N 0 0 250.341 4.381 10 0 CIAERN Clc1cc(-c2ccccc2)nc(-c2ccoc2)n1 ZINC000063046743 526924626 /nfs/dbraw/zinc/92/46/26/526924626.db2.gz WKAAJXKIZPMHQO-UHFFFAOYSA-N 0 0 256.692 4.057 10 0 CIAERN Clc1ccc(-c2ncsc2Br)cc1 ZINC000057571159 526936474 /nfs/dbraw/zinc/93/64/74/526936474.db2.gz BEMQGSYVELPAFV-UHFFFAOYSA-N 0 0 274.570 4.226 10 0 CIAERN O=C1CCCc2nc(-c3ccc(F)c(Cl)c3)sc21 ZINC000062792753 526986835 /nfs/dbraw/zinc/98/68/35/526986835.db2.gz LZNBTUCKRFLYRO-UHFFFAOYSA-N 0 0 281.739 4.122 10 0 CIAERN Clc1nc(-c2ccccc2Br)cs1 ZINC000061714224 527002362 /nfs/dbraw/zinc/00/23/62/527002362.db2.gz BGNUALLYDKSXPM-UHFFFAOYSA-N 0 0 274.570 4.226 10 0 CIAERN NC(=S)c1c(Cl)cccc1Oc1ccc(F)cc1F ZINC000052908304 527113823 /nfs/dbraw/zinc/11/38/23/527113823.db2.gz GQXDMNYTTOYLRT-UHFFFAOYSA-N 0 0 299.729 4.045 10 0 CIAERN O=Cc1c(Cl)cccc1OCc1ccc(F)cc1F ZINC000050884920 527143752 /nfs/dbraw/zinc/14/37/52/527143752.db2.gz IZQNTHMCBUVGKB-UHFFFAOYSA-N 0 0 282.673 4.010 10 0 CIAERN Cc1ncc(CNc2nc3cc(Cl)ccc3s2)s1 ZINC000049534219 527281841 /nfs/dbraw/zinc/28/18/41/527281841.db2.gz JMKBWMOKNNAITI-UHFFFAOYSA-N 0 0 295.820 4.327 10 0 CIAERN O=C(Cc1cccs1)c1ccccc1OC(F)(F)F ZINC000055200498 527304526 /nfs/dbraw/zinc/30/45/26/527304526.db2.gz WZBORTYDTNXYRH-UHFFFAOYSA-N 0 0 286.274 4.072 10 0 CIAERN Nc1cc(-c2ccccc2)nc2c(F)c(Cl)ccc12 ZINC000050868484 527440850 /nfs/dbraw/zinc/44/08/50/527440850.db2.gz MMYQVAVAPUXKLG-UHFFFAOYSA-N 0 0 272.710 4.277 10 0 CIAERN Nc1cc(Cl)ccc1COc1ccc(Cl)cc1 ZINC000050443505 527451532 /nfs/dbraw/zinc/45/15/32/527451532.db2.gz ZWUVKCVSUZTQDV-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3o2)cc1 ZINC000062557157 527465463 /nfs/dbraw/zinc/46/54/63/527465463.db2.gz BCJJQEZESXGVFD-UHFFFAOYSA-N 0 0 278.233 4.096 10 0 CIAERN Nc1ccc(OCc2ccc(Cl)cc2)cc1Cl ZINC000050470794 527496865 /nfs/dbraw/zinc/49/68/65/527496865.db2.gz JGKUSWCPWSMLPA-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN O[C@@H](Cc1ccc(C(F)(F)F)cc1)C1=CCCCC1 ZINC000050518879 527664271 /nfs/dbraw/zinc/66/42/71/527664271.db2.gz IPEMFKNZXHDRKU-AWEZNQCLSA-N 0 0 270.294 4.109 10 0 CIAERN O[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Cl ZINC000050438724 527664288 /nfs/dbraw/zinc/66/42/88/527664288.db2.gz ZILQIMQZYFFUAK-AWEZNQCLSA-N 0 0 285.145 4.409 10 0 CIAERN O[C@@H](c1cccc(Cl)c1)[C@H]1CCCc2ccccc21 ZINC000063157355 527666663 /nfs/dbraw/zinc/66/66/63/527666663.db2.gz LXRVUVCRCVGILN-IRXDYDNUSA-N 0 0 272.775 4.494 10 0 CIAERN Cc1nn(C)c(Cl)c1CS[C@H]1CCC[C@H](C)C1 ZINC000054688824 527668017 /nfs/dbraw/zinc/66/80/17/527668017.db2.gz NZFBNOUNXCHBFR-ONGXEEELSA-N 0 0 272.845 4.194 10 0 CIAERN Cc1nn(C)c(Cl)c1CS[C@H]1CCC[C@@H](C)C1 ZINC000054688828 527668251 /nfs/dbraw/zinc/66/82/51/527668251.db2.gz NZFBNOUNXCHBFR-KOLCDFICSA-N 0 0 272.845 4.194 10 0 CIAERN FC(F)(F)c1ccc2c(c1)NC[C@H](c1ccccc1)O2 ZINC000062557316 527684212 /nfs/dbraw/zinc/68/42/12/527684212.db2.gz JWDRGQQYAFMCBN-CQSZACIVSA-N 0 0 279.261 4.251 10 0 CIAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(SC(F)F)cc1 ZINC000087407447 527700210 /nfs/dbraw/zinc/70/02/10/527700210.db2.gz IWUIGMBIZBNEKD-VIFPVBQESA-N 0 0 297.374 4.216 10 0 CIAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000087406544 527700213 /nfs/dbraw/zinc/70/02/13/527700213.db2.gz WIAOWCUDMMFQKB-LBPRGKRZSA-N 0 0 257.381 4.025 10 0 CIAERN COc1cc(C=O)ccc1N1CCC2(CCCCC2)CC1 ZINC000001727526 536722867 /nfs/dbraw/zinc/72/28/67/536722867.db2.gz LRSLHVZRVWCESY-UHFFFAOYSA-N 0 0 287.403 4.058 10 0 CIAERN Fc1cccc(-c2cnc(F)c(C(F)(F)F)c2)c1 ZINC000584881613 567882711 /nfs/dbraw/zinc/88/27/11/567882711.db2.gz XHDGBTSDRHLCSP-UHFFFAOYSA-N 0 0 259.177 4.046 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2cccc(F)c2F)n1 ZINC000725270755 567924675 /nfs/dbraw/zinc/92/46/75/567924675.db2.gz SDUWWAAEILLLTF-UHFFFAOYSA-N 0 0 272.245 4.347 10 0 CIAERN CC[C@@H](C)c1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246470 570255771 /nfs/dbraw/zinc/25/57/71/570255771.db2.gz MYYQHCLNETXIRX-SECBINFHSA-N 0 0 251.761 4.020 10 0 CIAERN CC(C)C1CCC(O)(c2cccc(Br)c2)CC1 ZINC000675059304 570365474 /nfs/dbraw/zinc/36/54/74/570365474.db2.gz NGXHUVHNBAEREY-UHFFFAOYSA-N 0 0 297.236 4.483 10 0 CIAERN C[C@@H]1CC[C@](O)(c2cccc(Br)c2)C[C@@H]1C ZINC000675059691 570365663 /nfs/dbraw/zinc/36/56/63/570365663.db2.gz UISWGWNSMWTPBY-UHIISALHSA-N 0 0 283.209 4.093 10 0 CIAERN CC[C@H](Sc1ccc(Cl)cc1Cl)C(C)=O ZINC000616571441 570408967 /nfs/dbraw/zinc/40/89/67/570408967.db2.gz HAABTDFYRMJMJM-JTQLQIEISA-N 0 0 263.189 4.453 10 0 CIAERN C[C@@H]1CC[C@](O)(c2ccc(Br)cc2)C[C@@H]1C ZINC000521401815 570340162 /nfs/dbraw/zinc/34/01/62/570340162.db2.gz QLUHOXPEOBDWGC-UHIISALHSA-N 0 0 283.209 4.093 10 0 CIAERN COc1ccc(-c2cc3cc(OC)ccc3o2)cc1 ZINC000038314009 560086276 /nfs/dbraw/zinc/08/62/76/560086276.db2.gz VQPRVSDNFHTZME-UHFFFAOYSA-N 0 0 254.285 4.117 10 0 biogenic,in-vitro CIAERN COc1cc(Cl)ccc1Oc1ccc(C=O)cc1F ZINC000398635046 566860411 /nfs/dbraw/zinc/86/04/11/566860411.db2.gz PFTKTEKXQGOKIF-UHFFFAOYSA-N 0 0 280.682 4.093 10 0 CIAERN OC[C@@](O)(/C1=C/CCCCCCCCCC1)C(F)(F)F ZINC000675053731 566938025 /nfs/dbraw/zinc/93/80/25/566938025.db2.gz QKTOXJQQMMBGKC-JWAFFJSPSA-N 0 0 294.357 4.113 10 0 CIAERN Cc1sccc1-c1ccc(Br)cc1 ZINC000675082269 567027968 /nfs/dbraw/zinc/02/79/68/567027968.db2.gz GQMQXAGJYWKEAH-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN CCCC(=O)c1cc2c(cccc2Br)o1 ZINC000675081337 567028317 /nfs/dbraw/zinc/02/83/17/567028317.db2.gz RKQFVVWKKIUJIX-UHFFFAOYSA-N 0 0 267.122 4.178 10 0 CIAERN COc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 ZINC000226246905 567039380 /nfs/dbraw/zinc/03/93/80/567039380.db2.gz BOZBWRWIGLIRJU-UHFFFAOYSA-N 0 0 290.322 4.294 10 0 CIAERN Clc1cccc2c(Br)cnc(Cl)c12 ZINC000096856518 567040747 /nfs/dbraw/zinc/04/07/47/567040747.db2.gz QKWHDONMXQZHSV-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN CCNc1ccc2nc(-c3ccccc3F)oc2c1 ZINC000226284246 567041086 /nfs/dbraw/zinc/04/10/86/567041086.db2.gz ZYRWQPJQGIRCFP-UHFFFAOYSA-N 0 0 256.280 4.066 10 0 CIAERN CCNc1ccc2nc(-c3cccc(C)c3)oc2c1 ZINC000226284125 567041171 /nfs/dbraw/zinc/04/11/71/567041171.db2.gz OEVLPDIMULXIOU-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN CCNc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000226285038 567041426 /nfs/dbraw/zinc/04/14/26/567041426.db2.gz DKWFZVSXPZPRJP-UHFFFAOYSA-N 0 0 252.789 4.008 10 0 CIAERN CC(C)(C)c1ccc(-c2nc3cnccc3o2)cc1 ZINC000226281335 567041560 /nfs/dbraw/zinc/04/15/60/567041560.db2.gz AGYVYPQBSZGIQE-UHFFFAOYSA-N 0 0 252.317 4.187 10 0 CIAERN Cc1[nH]c(=S)c(C(=O)Nc2ccccc2)c2c1CCCC2 ZINC000095117554 567128992 /nfs/dbraw/zinc/12/89/92/567128992.db2.gz ABFQIDHRVILVTE-UHFFFAOYSA-N 0 0 298.411 4.184 10 0 CIAERN CC[C@H](C)c1nc2c(Br)cccc2cc1O ZINC000685963143 567210600 /nfs/dbraw/zinc/21/06/00/567210600.db2.gz HNEQTPAZLRLLRP-QMMMGPOBSA-N 0 0 280.165 4.216 10 0 CIAERN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000019504317 567211078 /nfs/dbraw/zinc/21/10/78/567211078.db2.gz WHIXQEAISYUKHG-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Fc1cc(-c2cc[nH]n2)ccc1Oc1ccccc1 ZINC000058824518 567217521 /nfs/dbraw/zinc/21/75/21/567217521.db2.gz HHBBVCRMWAEOIM-UHFFFAOYSA-N 0 0 254.264 4.008 10 0 CIAERN C[Si](C)(C)CCSC[C@H]1COC2(CCCCC2)O1 ZINC000725246616 567219578 /nfs/dbraw/zinc/21/95/78/567219578.db2.gz ZPXRVTPEZSROOE-CYBMUJFWSA-N 0 0 288.529 4.134 10 0 CIAERN FC1(F)c2ccccc2C(F)(F)c2ccccc21 ZINC000003172346 567851884 /nfs/dbraw/zinc/85/18/84/567851884.db2.gz ZBTZVMHYUXKLFK-UHFFFAOYSA-N 0 0 252.210 4.280 10 0 CIAERN COc1cc(C)c2c(c1)C=C[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@@H]21 ZINC000004370015 567856904 /nfs/dbraw/zinc/85/69/04/567856904.db2.gz LJVYLXABDDIITQ-YFYQMDMQSA-N 0 0 298.426 4.301 10 0 CIAERN COc1ccc(C)c2c1[C@@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 ZINC000004369993 567857104 /nfs/dbraw/zinc/85/71/04/567857104.db2.gz ROENYRHGHDRWLQ-AXHMDWHKSA-N 0 0 298.426 4.429 10 0 CIAERN O=C1CC[C@H](Sc2cc(Cl)ccc2Cl)C1 ZINC000070234223 567885585 /nfs/dbraw/zinc/88/55/85/567885585.db2.gz RIVYDOHBFHWBBP-VIFPVBQESA-N 0 0 261.173 4.207 10 0 CIAERN Fc1cc(Br)ccc1-c1nc2ccccc2o1 ZINC000073637659 567893059 /nfs/dbraw/zinc/89/30/59/567893059.db2.gz HTBCQOULTWOYPW-UHFFFAOYSA-N 0 0 292.107 4.396 10 0 CIAERN CCCCC[C@@H](C)NC(=O)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000049101506 567893085 /nfs/dbraw/zinc/89/30/85/567893085.db2.gz CVIOQQALQYDSBD-YCPHGPKFSA-N 0 0 288.435 4.059 10 0 CIAERN Fc1ncc(Cl)cc1-c1cccc(Cl)c1F ZINC000725241419 567907747 /nfs/dbraw/zinc/90/77/47/567907747.db2.gz QEGFDWMSNHPTBI-UHFFFAOYSA-N 0 0 260.070 4.334 10 0 CIAERN C[Si](C)(C)CCSCc1ccc2c[nH]nc2c1 ZINC000725245849 567908132 /nfs/dbraw/zinc/90/81/32/567908132.db2.gz MUBAZGNIEJNDLT-UHFFFAOYSA-N 0 0 264.470 4.134 10 0 CIAERN CC(C)n1cncc1-c1cccc(C(=O)OC(C)(C)C)c1 ZINC000725245897 567908356 /nfs/dbraw/zinc/90/83/56/567908356.db2.gz MRISKPWZVMJGQM-UHFFFAOYSA-N 0 0 286.375 4.086 10 0 CIAERN CC[C@H](C)Cc1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246782 567908456 /nfs/dbraw/zinc/90/84/56/567908456.db2.gz WZNMYVWKWVYXDO-JTQLQIEISA-N 0 0 265.788 4.095 10 0 CIAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](Oc1ccccc1C=O)C2 ZINC000098209713 567911697 /nfs/dbraw/zinc/91/16/97/567911697.db2.gz DVVQRKRWEFESON-YSVLISHTSA-N 0 0 258.361 4.093 10 0 CIAERN Cc1c2snc(Cl)c2ccc1Br ZINC000725254036 567912753 /nfs/dbraw/zinc/91/27/53/567912753.db2.gz CFCZVBHEHCJAOQ-UHFFFAOYSA-N 0 0 262.559 4.021 10 0 CIAERN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1N ZINC000100644274 567913605 /nfs/dbraw/zinc/91/36/05/567913605.db2.gz UQCWRJKGNRZLOI-UHFFFAOYSA-N 0 0 283.350 4.314 10 0 CIAERN F/C(=C/c1ccc(Br)cc1)C(F)(F)F ZINC000725254843 567914450 /nfs/dbraw/zinc/91/44/50/567914450.db2.gz GPLRFMTYDKOWTN-VMPITWQZSA-N 0 0 269.035 4.322 10 0 CIAERN COC(=O)c1cc(Cl)nc2c1[C@@H](C)CC[C@@H]2C(C)C ZINC000725260612 567917285 /nfs/dbraw/zinc/91/72/85/567917285.db2.gz UKMZBMMLGITLSM-VHSXEESVSA-N 0 0 281.783 4.159 10 0 CIAERN CCC[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000725265467 567923186 /nfs/dbraw/zinc/92/31/86/567923186.db2.gz FUHVWZLDSPOJRD-LLVKDONJSA-N 0 0 258.340 4.121 10 0 CIAERN CCC[C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000725265468 567923220 /nfs/dbraw/zinc/92/32/20/567923220.db2.gz FUHVWZLDSPOJRD-NSHDSACASA-N 0 0 258.340 4.121 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2ccc(Cl)nc2)n1 ZINC000725271046 567924690 /nfs/dbraw/zinc/92/46/90/567924690.db2.gz VOHBBTRRSKYVNY-UHFFFAOYSA-N 0 0 271.698 4.117 10 0 CIAERN Cn1cc(C(F)F)c(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000725270449 567924792 /nfs/dbraw/zinc/92/47/92/567924792.db2.gz NBJZDNCQVOWDQR-UHFFFAOYSA-N 0 0 294.198 4.183 10 0 CIAERN Brc1ncnc2scc(-c3ccsc3)c21 ZINC000584882452 570229399 /nfs/dbraw/zinc/22/93/99/570229399.db2.gz JCHHNBZDLKWNTO-UHFFFAOYSA-N 0 0 297.202 4.182 10 0 CIAERN CCCS[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000037353476 570291986 /nfs/dbraw/zinc/29/19/86/570291986.db2.gz BSGXGCPQOBTTBZ-SECBINFHSA-N 0 0 287.222 4.164 10 0 CIAERN O=C1CCC[C@@H](Sc2cccc(Br)c2)C1 ZINC000082818464 570349780 /nfs/dbraw/zinc/34/97/80/570349780.db2.gz GZUBGJCSIMJBNK-GFCCVEGCSA-N 0 0 285.206 4.053 10 0 CIAERN Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1N ZINC000019387333 570408011 /nfs/dbraw/zinc/40/80/11/570408011.db2.gz QAVGSXKFXSCVFZ-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Fc1ccc(/C=C/Br)cc1C(F)(F)F ZINC000606296453 570408348 /nfs/dbraw/zinc/40/83/48/570408348.db2.gz MNGWAYLBLVVCJJ-ONEGZZNKSA-N 0 0 269.035 4.210 10 0 CIAERN Oc1ccc2nc(-c3ccc4cc(O)ccc4c3)oc2c1 ZINC000013583591 581101492 /nfs/dbraw/zinc/10/14/92/581101492.db2.gz PZIKVWJRAOMJDU-UHFFFAOYSA-N 0 0 277.279 4.059 10 0 in-vivo CIAERN Cc1ccc(NC(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000096508047 230385542 /nfs/dbraw/zinc/38/55/42/230385542.db2.gz ZHFXDJKMCOBOKV-YFHOEESVSA-N 0 0 271.747 4.300 10 0 CIAERN Clc1nc(Cl)c2c(n1)CC[C@@H](Cc1ccccc1)C2 ZINC000095616829 185016243 /nfs/dbraw/zinc/01/62/43/185016243.db2.gz TUSQHICYKSEACP-NSHDSACASA-N 0 0 293.197 4.131 10 0 CIAERN COc1c(C)cc(-c2nc3ccc(Cl)nc3o2)cc1C ZINC000095643090 185017378 /nfs/dbraw/zinc/01/73/78/185017378.db2.gz WNDIGTGDOFQPGL-UHFFFAOYSA-N 0 0 288.734 4.169 10 0 CIAERN Oc1cc(Br)cc(CC2CCCCC2)c1 ZINC000095720921 185019312 /nfs/dbraw/zinc/01/93/12/185019312.db2.gz ZSXBDRYAPHTDQK-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN CC(C)(C)c1cc(OC2CC2)ccc1Br ZINC000095712998 185019389 /nfs/dbraw/zinc/01/93/89/185019389.db2.gz ORLACOLHNXXJEP-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN CC(C)(C)Oc1ccc(Br)cc1OC1CC1 ZINC000095725103 185020455 /nfs/dbraw/zinc/02/04/55/185020455.db2.gz RVGOQCCZUKBSBU-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)(C)c1cccc(Br)c1OC1CC1 ZINC000095724096 185020491 /nfs/dbraw/zinc/02/04/91/185020491.db2.gz BDLJXZBWXXUAPB-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN CC(C)(C)c1cc(Br)ccc1OC1CC1 ZINC000095742008 185024574 /nfs/dbraw/zinc/02/45/74/185024574.db2.gz CSLXEADPCGMFSH-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501715 178066117 /nfs/dbraw/zinc/06/61/17/178066117.db2.gz KAMNQXLSCHJYQC-YUMQZZPRSA-N 0 0 293.720 4.139 10 0 CIAERN CCCc1nc(Cl)cc(N[C@H](C)c2ccccc2)n1 ZINC000082509759 178076577 /nfs/dbraw/zinc/07/65/77/178076577.db2.gz BXOIZROGQOYWLG-LLVKDONJSA-N 0 0 275.783 4.256 10 0 CIAERN Brc1cccc2c(-c3ccccc3)noc21 ZINC000095803793 185029263 /nfs/dbraw/zinc/02/92/63/185029263.db2.gz GOBAOTYQUGSKFX-UHFFFAOYSA-N 0 0 274.117 4.257 10 0 CIAERN CCc1ccc2c(c1)S[C@@H]1C=C(CC)C=C[C@H]1N2 ZINC000095930522 185032379 /nfs/dbraw/zinc/03/23/79/185032379.db2.gz CUVZXVBLBXHDHS-UKRRQHHQSA-N 0 0 257.402 4.410 10 0 CIAERN CCc1ccc2c(c1)S[C@H]1C=C(CC)C=C[C@H]1N2 ZINC000095930523 185032580 /nfs/dbraw/zinc/03/25/80/185032580.db2.gz CUVZXVBLBXHDHS-HIFRSBDPSA-N 0 0 257.402 4.410 10 0 CIAERN Cc1cc(Br)cn2c(-c3ccccc3)cnc12 ZINC000082693598 178187285 /nfs/dbraw/zinc/18/72/85/178187285.db2.gz QJFYTPPHGIZRGG-UHFFFAOYSA-N 0 0 287.160 4.072 10 0 CIAERN CC(C)Cc1ccc(-c2nc3ccc(Cl)cn3c2N)cc1 ZINC000082694843 178189955 /nfs/dbraw/zinc/18/99/55/178189955.db2.gz OMPOFQWBMADXCY-UHFFFAOYSA-N 0 0 299.805 4.435 10 0 CIAERN CC(C)c1ccccc1NC(=O)c1cccc(Cl)c1N ZINC000082698817 178199513 /nfs/dbraw/zinc/19/95/13/178199513.db2.gz FOFWJUBATGVCSC-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN Cc1ccc(Sc2nc(Cl)c(C=O)s2)cc1 ZINC000082699340 178201041 /nfs/dbraw/zinc/20/10/41/178201041.db2.gz IDFMNYZHTAHFHR-UHFFFAOYSA-N 0 0 269.778 4.069 10 0 CIAERN CC(=O)c1ccc(F)c(-c2ccc(F)c(F)c2F)c1 ZINC000082709075 178218554 /nfs/dbraw/zinc/21/85/54/178218554.db2.gz NZWLJDYWUHHAQN-UHFFFAOYSA-N 0 0 268.209 4.113 10 0 CIAERN CC(=O)c1ccc(F)c(-c2ccc3ncccc3c2)c1 ZINC000082709049 178218940 /nfs/dbraw/zinc/21/89/40/178218940.db2.gz CVPWBKKYJRFGJN-UHFFFAOYSA-N 0 0 265.287 4.244 10 0 CIAERN CCOc1ccc2nc(NC3CCCCC3)sc2c1 ZINC000082727217 178243798 /nfs/dbraw/zinc/24/37/98/178243798.db2.gz RWTWVZCMMMWIPC-UHFFFAOYSA-N 0 0 276.405 4.440 10 0 CIAERN Fc1ccc2nc(NCCc3ccccc3)sc2c1 ZINC000082727953 178244284 /nfs/dbraw/zinc/24/42/84/178244284.db2.gz DKCDHXRBJIUTTO-UHFFFAOYSA-N 0 0 272.348 4.090 10 0 CIAERN COc1cc(Cl)c(Cl)cc1C(=O)c1ccccc1 ZINC000083139335 178340274 /nfs/dbraw/zinc/34/02/74/178340274.db2.gz LAQBJDAWHNKCBG-UHFFFAOYSA-N 0 0 281.138 4.233 10 0 CIAERN Cc1cc(C(=O)c2cccs2)ccc1Br ZINC000083140074 178340847 /nfs/dbraw/zinc/34/08/47/178340847.db2.gz BABIDQOZKUGMMR-UHFFFAOYSA-N 0 0 281.174 4.050 10 0 CIAERN C[C@@H](Nc1ccccc1Br)c1nccs1 ZINC000083142293 178341415 /nfs/dbraw/zinc/34/14/15/178341415.db2.gz AUKSQKBNGDQYKM-MRVPVSSYSA-N 0 0 283.194 4.079 10 0 CIAERN O=Cc1ncc(-c2ccc(-c3ccccc3)cc2)s1 ZINC000083239800 178366813 /nfs/dbraw/zinc/36/68/13/178366813.db2.gz JARNKALQVAIGPV-UHFFFAOYSA-N 0 0 265.337 4.290 10 0 CIAERN CCOC(=O)/C=C(C)\C=C/c1c(C)cc(OC)c(C)c1C ZINC000083265129 178376916 /nfs/dbraw/zinc/37/69/16/178376916.db2.gz BONIYDFKKJJFBB-DMGFJBLZSA-N 0 0 288.387 4.143 10 0 CIAERN O=C(Nc1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000096675382 185109950 /nfs/dbraw/zinc/10/99/50/185109950.db2.gz FSIKXQLROCANQK-UHFFFAOYSA-N 0 0 271.703 4.339 10 0 CIAERN CC(=O)c1cc(Cl)cc(NCc2ccccc2)c1 ZINC000096840838 185116395 /nfs/dbraw/zinc/11/63/95/185116395.db2.gz IFFVJNZYARXSRE-UHFFFAOYSA-N 0 0 259.736 4.155 10 0 CIAERN CCc1cc(Br)ccc1NCC(C)C ZINC000083413623 178421798 /nfs/dbraw/zinc/42/17/98/178421798.db2.gz QUWQYLBMIBATCK-UHFFFAOYSA-N 0 0 256.187 4.079 10 0 CIAERN CC(C)c1nc2cccc(Br)c2s1 ZINC000096957539 185140487 /nfs/dbraw/zinc/14/04/87/185140487.db2.gz RNPNMWTVTSEETP-UHFFFAOYSA-N 0 0 256.168 4.182 10 0 CIAERN Clc1cc(-c2ccc(Br)cc2)ccn1 ZINC000096946741 185136810 /nfs/dbraw/zinc/13/68/10/185136810.db2.gz YMJVUUMZUPBRMM-UHFFFAOYSA-N 0 0 268.541 4.165 10 0 CIAERN CC[C@H](C)N(C(=O)/C=C\c1ccc(C)o1)[C@@H](C)CC ZINC000096507763 529684272 /nfs/dbraw/zinc/68/42/72/529684272.db2.gz QFKKRZWFVKMYBF-XOFVUTBISA-N 0 0 263.381 4.027 10 0 CIAERN CC(C)(C)OC(=O)C(C)(C)c1nc(C(C)(C)C)cs1 ZINC000311667427 260256681 /nfs/dbraw/zinc/25/66/81/260256681.db2.gz YXCKKRIZMIIHRI-UHFFFAOYSA-N 0 0 283.437 4.060 10 0 CIAERN CC[C@@H]1CCCCN1c1ccc(Br)cc1C=O ZINC000097758452 136522911 /nfs/dbraw/zinc/52/29/11/136522911.db2.gz MPXUGUVMPWKLRI-CYBMUJFWSA-N 0 0 296.208 4.031 10 0 CIAERN CCCc1ccc(-c2cc(Cl)c(Cl)nn2)cc1 ZINC000097694419 185653182 /nfs/dbraw/zinc/65/31/82/185653182.db2.gz NKALAVKCXPWIMX-UHFFFAOYSA-N 0 0 267.159 4.403 10 0 CIAERN CC1=CCC[C@H](C)[C@@]1(O)C1(Sc2ccccc2)CC1 ZINC000097758234 185662705 /nfs/dbraw/zinc/66/27/05/185662705.db2.gz KHADRTWMROCUEB-WMLDXEAASA-N 0 0 274.429 4.419 10 0 CIAERN Cc1cc2[nH]c(-c3ccc(Br)o3)nc2c(C)c1 ZINC000085345272 179028398 /nfs/dbraw/zinc/02/83/98/179028398.db2.gz BCCIZMYCDAKGQP-UHFFFAOYSA-N 0 0 291.148 4.202 10 0 CIAERN CCC(=O)CCc1ccc(OC(C)C)c(Cl)c1 ZINC000098129266 185691175 /nfs/dbraw/zinc/69/11/75/185691175.db2.gz CEEGSPQVEOJESI-UHFFFAOYSA-N 0 0 254.757 4.039 10 0 CIAERN F[C@@H](C(F)(F)F)C(F)(F)CSCc1ccccc1 ZINC000098210508 185699499 /nfs/dbraw/zinc/69/94/99/185699499.db2.gz WDXYKHYNTRDMSZ-SECBINFHSA-N 0 0 288.256 4.456 10 0 CIAERN CCC[C@H]1CNc2c(cccc2N2CCCCC2)C1 ZINC000103925264 136553755 /nfs/dbraw/zinc/55/37/55/136553755.db2.gz GMIFZQBTPFDFGH-CQSZACIVSA-N 0 0 258.409 4.061 10 0 CIAERN CCC[C@H]1CCc2c(sc(N)c2-c2ccccn2)C1 ZINC000103067548 185806325 /nfs/dbraw/zinc/80/63/25/185806325.db2.gz XMHNKRYYAMRRDV-NSHDSACASA-N 0 0 272.417 4.297 10 0 CIAERN C[C@@H]1CCCC[C@H]1n1c(Cl)nnc1-c1ccccc1 ZINC000103928754 185862925 /nfs/dbraw/zinc/86/29/25/185862925.db2.gz YSQOTPWGJAQAOG-DGCLKSJQSA-N 0 0 275.783 4.350 10 0 CIAERN COc1ccc(C)cc1[C@H](O)C[C@H](C)CC(C)(C)C ZINC000104040900 185885134 /nfs/dbraw/zinc/88/51/34/185885134.db2.gz DYCASOUULJICBN-DZGCQCFKSA-N 0 0 264.409 4.499 10 0 CIAERN COc1cc(Oc2ccc(Cl)c(C)c2)c(N)cc1F ZINC000104130224 185902125 /nfs/dbraw/zinc/90/21/25/185902125.db2.gz RUJJKAIVRLNKIP-UHFFFAOYSA-N 0 0 281.714 4.171 10 0 CIAERN CCc1nc2c(F)ccc(Br)c2c(NC)c1C ZINC000104166286 185915514 /nfs/dbraw/zinc/91/55/14/185915514.db2.gz FSSJFWNNYNIXNG-UHFFFAOYSA-N 0 0 297.171 4.049 10 0 CIAERN CC[C@@H](Nc1ncnc2ccsc21)C1CCCCC1 ZINC000104181976 185918387 /nfs/dbraw/zinc/91/83/87/185918387.db2.gz MFLZJVQOWZGBIP-GFCCVEGCSA-N 0 0 275.421 4.462 10 0 CIAERN NC(=S)c1ccc(Cl)cc1NC1CCCCCCC1 ZINC000104185916 185918788 /nfs/dbraw/zinc/91/87/88/185918788.db2.gz QDEQRFUAXWZUEZ-UHFFFAOYSA-N 0 0 296.867 4.499 10 0 CIAERN Cc1cc(C)cc(Nc2nc(C)nc(Cl)c2C)c1 ZINC000104205664 185931247 /nfs/dbraw/zinc/93/12/47/185931247.db2.gz PJRKCUDNWYURIJ-UHFFFAOYSA-N 0 0 261.756 4.107 10 0 CIAERN CCCc1c(Cl)ncnc1Nc1ccc(C)c(F)c1 ZINC000104206984 185931363 /nfs/dbraw/zinc/93/13/63/185931363.db2.gz VJRBJZOIQFVAJX-UHFFFAOYSA-N 0 0 279.746 4.274 10 0 CIAERN C[C@H]1CCC[C@@H](Nc2ccc(N)cc2C(F)F)C1 ZINC000104210294 185931803 /nfs/dbraw/zinc/93/18/03/185931803.db2.gz XWJJPKNZHOJFIC-GXSJLCMTSA-N 0 0 254.324 4.197 10 0 CIAERN Cc1ccc(N)cc1OCc1csc2ccccc12 ZINC000104218844 185934613 /nfs/dbraw/zinc/93/46/13/185934613.db2.gz SKDJANDKLXZADY-UHFFFAOYSA-N 0 0 269.369 4.371 10 0 CIAERN CCc1c(Cl)ncnc1Nc1cccc(Cl)c1F ZINC000104227805 185936638 /nfs/dbraw/zinc/93/66/38/185936638.db2.gz WPKYVNZJHQZEIX-UHFFFAOYSA-N 0 0 286.137 4.229 10 0 CIAERN c1cc2cccc(CCCCO[C@@H]3CCCCO3)c2[nH]1 ZINC000089209274 179754960 /nfs/dbraw/zinc/75/49/60/179754960.db2.gz PJJDANJRAKROFI-INIZCTEOSA-N 0 0 273.376 4.034 10 0 CIAERN Cc1ccc2nc(-c3cccc(Cl)c3Cl)c(N)n2c1 ZINC000104357571 185981651 /nfs/dbraw/zinc/98/16/51/185981651.db2.gz ISVHFJKLCUIEIV-UHFFFAOYSA-N 0 0 292.169 4.199 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1c(C)cc(C=O)cc1C ZINC000104379947 185987238 /nfs/dbraw/zinc/98/72/38/185987238.db2.gz IXVIIXFTBFYARN-HZPDHXFCSA-N 0 0 260.377 4.464 10 0 CIAERN CC[C@H]1CCCC[C@H]1C(=O)Cc1ccc(OC)cc1 ZINC000104387961 185989144 /nfs/dbraw/zinc/98/91/44/185989144.db2.gz PPOKVWBYVNCSBE-GOEBONIOSA-N 0 0 260.377 4.023 10 0 CIAERN CCOc1ccc(C)cc1[C@H](O)C[C@@H](C)C(C)(C)C ZINC000104434212 186000274 /nfs/dbraw/zinc/00/02/74/186000274.db2.gz JTZPCLNAMAINTG-UKRRQHHQSA-N 0 0 264.409 4.499 10 0 CIAERN O=Cc1ccccc1-c1cc(Cl)c2cccnc2c1O ZINC000090669402 180020053 /nfs/dbraw/zinc/02/00/53/180020053.db2.gz HXTFIKJMOVPEKA-UHFFFAOYSA-N 0 0 283.714 4.073 10 0 CIAERN CC/C(I)=C/C1CCCCC1 ZINC000104837287 186027399 /nfs/dbraw/zinc/02/73/99/186027399.db2.gz ZDHHVRQFKVLJHR-NTMALXAHSA-N 0 0 264.150 4.296 10 0 CIAERN CC(C)(C)C(=O)c1cc2ccccc2nc1C(F)(F)F ZINC000091692113 180228070 /nfs/dbraw/zinc/22/80/70/180228070.db2.gz NVNVZOCIMXGXIX-UHFFFAOYSA-N 0 0 281.277 4.482 10 0 CIAERN CCNc1cc(C)nc(-c2ccc(C(C)C)cc2)n1 ZINC000110104172 186286413 /nfs/dbraw/zinc/28/64/13/186286413.db2.gz SXXZHXNJBZUAII-UHFFFAOYSA-N 0 0 255.365 4.007 10 0 CIAERN Cc1c(Cl)cccc1-c1nc2cc(N)ccc2o1 ZINC000226248374 189770674 /nfs/dbraw/zinc/77/06/74/189770674.db2.gz UNDGGEULHMCIEW-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN CCNc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000226282345 189771067 /nfs/dbraw/zinc/77/10/67/189771067.db2.gz GPVZGQXVZNMMOF-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN CNc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000226271195 189771216 /nfs/dbraw/zinc/77/12/16/189771216.db2.gz HOIZLSFVXUJIMR-UHFFFAOYSA-N 0 0 272.735 4.114 10 0 CIAERN CCc1cccc2sc(NC(=O)Cc3ccccc3)nc21 ZINC000004348683 184531798 /nfs/dbraw/zinc/53/17/98/184531798.db2.gz UMVFUWPIBYTIJD-UHFFFAOYSA-N 0 0 296.395 4.040 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Nc1ccc(OC)c(F)c1 ZINC000070977843 184572539 /nfs/dbraw/zinc/57/25/39/184572539.db2.gz UAMKZWZQAVAOLN-BXUZGUMPSA-N 0 0 251.345 4.215 10 0 CIAERN COc1ccc2c(Cl)c(C(=O)NC(C)(C)C)sc2c1 ZINC000000508813 169659042 /nfs/dbraw/zinc/65/90/42/169659042.db2.gz XXOXEBUHGLEWBI-UHFFFAOYSA-N 0 0 297.807 4.092 10 0 CIAERN CC(=O)Nc1c(Cl)cc(Br)c2ccccc21 ZINC000095348167 184948155 /nfs/dbraw/zinc/94/81/55/184948155.db2.gz DVUYTPNIALMEIX-UHFFFAOYSA-N 0 0 298.567 4.214 10 0 CIAERN Cc1ccc(C)c(-c2cn3c(n2)-c2ccccc2C3)c1 ZINC000001509493 169710736 /nfs/dbraw/zinc/71/07/36/169710736.db2.gz RFHMQNICUAIWEM-UHFFFAOYSA-N 0 0 260.340 4.196 10 0 CIAERN CCCN(C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)C1CC1 ZINC000171432302 335065640 /nfs/dbraw/zinc/06/56/40/335065640.db2.gz BOLHYMKWELXJLD-JTQLQIEISA-N 0 0 298.789 4.124 10 0 CIAERN CCCC(=O)O[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000002046277 169771581 /nfs/dbraw/zinc/77/15/81/169771581.db2.gz AQVGUTSWELPYGA-ZDUSSCGKSA-N 0 0 278.392 4.095 10 0 CIAERN COc1nn(-c2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000003620182 169903305 /nfs/dbraw/zinc/90/33/05/169903305.db2.gz GAYXSKFUIOLLCM-UHFFFAOYSA-N 0 0 292.260 4.053 10 0 CIAERN FC(F)(F)c1cccc([C@@H]2Cc3ccccc3N2)c1 ZINC000003715003 169908931 /nfs/dbraw/zinc/90/89/31/169908931.db2.gz QLBFFUNANVCSJN-AWEZNQCLSA-N 0 0 263.262 4.415 10 0 CIAERN CCCN1c2ccccc2S[C@@H](c2ccco2)CC1=O ZINC000004104085 169931714 /nfs/dbraw/zinc/93/17/14/169931714.db2.gz HADODGCTIDAYCE-OAHLLOKOSA-N 0 0 287.384 4.260 10 0 CIAERN Cc1cccn2cc(C34CC5CC(CC(C5)C3)C4)nc12 ZINC000004863927 170032629 /nfs/dbraw/zinc/03/26/29/170032629.db2.gz MFBZTIAOMQPDKK-UHFFFAOYSA-N 0 0 266.388 4.111 10 0 CIAERN Cc1ccc2[nH]c(C=Cc3nc4cc(C)ccc4[nH]3)nc2c1 ZINC000004877101 170034946 /nfs/dbraw/zinc/03/49/46/170034946.db2.gz QKFAOBRERBLZCI-FPLPWBNLSA-N 0 0 288.354 4.226 10 0 CIAERN CC(C)[C@H]1CC[C@H](O)[C@H](C(C)(C)c2ccccc2)C1 ZINC000004976973 170048259 /nfs/dbraw/zinc/04/82/59/170048259.db2.gz ZJHNUUVRRFRSFM-UAGQMJEPSA-N 0 0 260.421 4.397 10 0 CIAERN C[C@]12CCc3occc3[C@@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260736 170081028 /nfs/dbraw/zinc/08/10/28/170081028.db2.gz DDWYTNONBBOFFA-UKPUIBMWSA-N 0 0 284.399 4.485 10 0 CIAERN CN(C)c1ccc([C@H](c2ccc[nH]2)c2ccccc2)cc1 ZINC000005328644 170085856 /nfs/dbraw/zinc/08/58/56/170085856.db2.gz NDKRCSBSYHJSPV-LJQANCHMSA-N 0 0 276.383 4.261 10 0 CIAERN Cc1ccc([C@H](O)[C@@H](c2ccccc2)n2cccc2)cc1 ZINC000005416246 170096418 /nfs/dbraw/zinc/09/64/18/170096418.db2.gz AMDCAOGVRMRURX-MOPGFXCFSA-N 0 0 277.367 4.120 10 0 CIAERN COc1ccc(-c2csc3[nH]cnc(=S)c23)cc1 ZINC000005414352 170096503 /nfs/dbraw/zinc/09/65/03/170096503.db2.gz CCUFWQFREGUCNT-UHFFFAOYSA-N 0 0 274.370 4.029 10 0 CIAERN CCCC(=O)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000005524547 170108077 /nfs/dbraw/zinc/10/80/77/170108077.db2.gz KEKLUBGQOBIUSG-UHFFFAOYSA-N 0 0 254.329 4.368 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2CCCC[C@H]2C)cc1 ZINC000005527981 170109044 /nfs/dbraw/zinc/10/90/44/170109044.db2.gz YMTOOBBUJCYQPD-SAAWKEMMSA-N 0 0 271.404 4.224 10 0 CIAERN COC(=O)c1ccc(Nc2cc(C)c3ccccc3n2)cc1 ZINC000005587753 170116673 /nfs/dbraw/zinc/11/66/73/170116673.db2.gz OPUYFJSASIGCMH-UHFFFAOYSA-N 0 0 292.338 4.073 10 0 CIAERN CC(C)c1ccc(OCc2ccc(C(N)=S)cc2)cc1 ZINC000005592554 170117216 /nfs/dbraw/zinc/11/72/16/170117216.db2.gz XAQXQELXOMOJGJ-UHFFFAOYSA-N 0 0 285.412 4.023 10 0 CIAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCCCC1 ZINC000005670459 170125784 /nfs/dbraw/zinc/12/57/84/170125784.db2.gz YRDVUVCBOQTAEG-VQHVLOKHSA-N 0 0 298.213 4.456 10 0 CIAERN CC(C)Sc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000005677530 170127711 /nfs/dbraw/zinc/12/77/11/170127711.db2.gz WPUZJJKHVWXKHO-VIFPVBQESA-N 0 0 278.446 4.317 10 0 CIAERN Cc1cc(Cl)ccc1OC(=O)c1cccc(F)c1 ZINC000005750109 170136684 /nfs/dbraw/zinc/13/66/84/170136684.db2.gz HYGDMKBHSKVRBR-UHFFFAOYSA-N 0 0 264.683 4.007 10 0 CIAERN CCc1cc(NCc2cccc3ccccc32)c(=O)[nH]c1C ZINC000005887243 170150391 /nfs/dbraw/zinc/15/03/91/170150391.db2.gz ZPNXTKMXMTVKSV-UHFFFAOYSA-N 0 0 292.382 4.011 10 0 CIAERN CCC(C)(C)[C@@H]1CCc2[nH]c3ccccc3c(=O)c2C1 ZINC000005916568 170154791 /nfs/dbraw/zinc/15/47/91/170154791.db2.gz OTQILCSJBWHZRO-GFCCVEGCSA-N 0 0 269.388 4.069 10 0 CIAERN CCOC(=O)c1csc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000005916594 170155104 /nfs/dbraw/zinc/15/51/04/170155104.db2.gz VCMUVTJFFMXZOY-LLVKDONJSA-N 0 0 280.433 4.466 10 0 CIAERN CCc1c(CC)c(OC)c2c(C)cccc2c1OC(C)=O ZINC000005956005 170162211 /nfs/dbraw/zinc/16/22/11/170162211.db2.gz YXFCIMIOKJJKOF-UHFFFAOYSA-N 0 0 286.371 4.207 10 0 CIAERN FC(F)(F)c1cccc(-c2cn3ccsc3n2)c1 ZINC000005974025 170164538 /nfs/dbraw/zinc/16/45/38/170164538.db2.gz IFSVKARILHYNCH-UHFFFAOYSA-N 0 0 268.263 4.082 10 0 CIAERN Cc1ccccc1-c1nnc(-c2cccc(Cl)c2)[nH]1 ZINC000006071963 170174315 /nfs/dbraw/zinc/17/43/15/170174315.db2.gz AVLDHPNHSUKPDX-UHFFFAOYSA-N 0 0 269.735 4.101 10 0 CIAERN O=c1nc(-c2ccccc2)c2cc(Cl)ccc2n1C1CC1 ZINC000006116632 170177034 /nfs/dbraw/zinc/17/70/34/170177034.db2.gz VJZOUBPJIHTJAM-UHFFFAOYSA-N 0 0 296.757 4.052 10 0 CIAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000006329058 170191782 /nfs/dbraw/zinc/19/17/82/170191782.db2.gz WCSAPFKNZJRSPC-FNORWQNLSA-N 0 0 284.186 4.019 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000006335766 170193019 /nfs/dbraw/zinc/19/30/19/170193019.db2.gz YDYFIHCYVACAQY-LBPRGKRZSA-N 0 0 273.763 4.139 10 0 CIAERN CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCC2 ZINC000006424566 170199933 /nfs/dbraw/zinc/19/99/33/170199933.db2.gz YKJXQZGJGDTEOC-CQSZACIVSA-N 0 0 298.382 4.156 10 0 CIAERN Cc1ccc2c(=O)cc(-c3cccc4ccccc43)nc-2[nH]1 ZINC000006488318 170205318 /nfs/dbraw/zinc/20/53/18/170205318.db2.gz OKZRVQQAEAXGHY-UHFFFAOYSA-N 0 0 286.334 4.052 10 0 CIAERN O=C1CCCc2ccc(-c3ccc4c(c3)C(=O)CCC4)cc21 ZINC000006884185 170252920 /nfs/dbraw/zinc/25/29/20/170252920.db2.gz RBLLXSDPHPZFAW-UHFFFAOYSA-N 0 0 290.362 4.392 10 0 CIAERN CCOC(=O)C[C@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000006941242 170257692 /nfs/dbraw/zinc/25/76/92/170257692.db2.gz QFAQTFVIZYDNDY-LBPRGKRZSA-N 0 0 280.433 4.418 10 0 CIAERN Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(C)c2C)cc1 ZINC000007042169 170263839 /nfs/dbraw/zinc/26/38/39/170263839.db2.gz JOUHQUMJZOYFAM-OAHLLOKOSA-N 0 0 282.387 4.051 10 0 CIAERN CC(C)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000007214828 170272500 /nfs/dbraw/zinc/27/25/00/170272500.db2.gz YYWOLMMPVOHKIA-KRWDZBQOSA-N 0 0 295.382 4.064 10 0 CIAERN CC(=O)c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000007256120 170273772 /nfs/dbraw/zinc/27/37/72/170273772.db2.gz PAZVHCMIFQSFBQ-UHFFFAOYSA-N 0 0 277.323 4.016 10 0 CIAERN O=C(Nc1ccccc1)c1ccccc1SC(F)F ZINC000007399969 170282825 /nfs/dbraw/zinc/28/28/25/170282825.db2.gz ROVCEGWEOVVZNI-UHFFFAOYSA-N 0 0 279.311 4.254 10 0 CIAERN C[C@H](NC(=O)C1CCCCC1)c1cccc(Cl)c1 ZINC000007597638 170292239 /nfs/dbraw/zinc/29/22/39/170292239.db2.gz KMPMXSRVOIJDNY-NSHDSACASA-N 0 0 265.784 4.098 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Nc1cccc(C)c1C ZINC000007610022 170293607 /nfs/dbraw/zinc/29/36/07/170293607.db2.gz ADBJUVPMGDPORE-OUKQBFOZSA-N 0 0 295.382 4.354 10 0 CIAERN O=C(/C=C/c1ccc(F)c(Cl)c1)Nc1ccccc1 ZINC000007609436 170293759 /nfs/dbraw/zinc/29/37/59/170293759.db2.gz GYMIPRPTUWBHOM-VQHVLOKHSA-N 0 0 275.710 4.131 10 0 CIAERN CCc1ccc(-c2csc(NC3CC3)n2)s1 ZINC000007643998 170295309 /nfs/dbraw/zinc/29/53/09/170295309.db2.gz PETSEOSQLHFTBX-UHFFFAOYSA-N 0 0 250.392 4.008 10 0 CIAERN CCNc1nc(-c2ccccc2Br)cs1 ZINC000007843871 170304741 /nfs/dbraw/zinc/30/47/41/170304741.db2.gz WIKNONPEYKQBHI-UHFFFAOYSA-N 0 0 283.194 4.004 10 0 CIAERN COc1ccc(-c2csc(NC(C)(C)C)n2)cc1 ZINC000007844567 170304858 /nfs/dbraw/zinc/30/48/58/170304858.db2.gz NVWLUYDINYSNEU-UHFFFAOYSA-N 0 0 262.378 4.029 10 0 CIAERN CCCNc1nc(-c2ccccc2Br)cs1 ZINC000007844164 170304942 /nfs/dbraw/zinc/30/49/42/170304942.db2.gz UBCFSUMIPNTLHM-UHFFFAOYSA-N 0 0 297.221 4.395 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000007885439 170305904 /nfs/dbraw/zinc/30/59/04/170305904.db2.gz SVJYPUGLFISLKW-GUYCJALGSA-N 0 0 280.371 4.052 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000007885437 170306007 /nfs/dbraw/zinc/30/60/07/170306007.db2.gz SVJYPUGLFISLKW-SUMWQHHRSA-N 0 0 280.371 4.052 10 0 CIAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1 ZINC000007885374 170306130 /nfs/dbraw/zinc/30/61/30/170306130.db2.gz UMXBKANTKLUCOY-RDTXWAMCSA-N 0 0 294.398 4.360 10 0 CIAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccc(C)c1 ZINC000007885335 170306223 /nfs/dbraw/zinc/30/62/23/170306223.db2.gz FQUZZIMCBGMBDO-RDTXWAMCSA-N 0 0 294.398 4.360 10 0 CIAERN CC(C)(C)Nc1nc(-c2cccc(F)c2)cs1 ZINC000008297107 170329707 /nfs/dbraw/zinc/32/97/07/170329707.db2.gz MQRHOQTYNSREHZ-UHFFFAOYSA-N 0 0 250.342 4.160 10 0 CIAERN CCOC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000008406458 170335259 /nfs/dbraw/zinc/33/52/59/170335259.db2.gz BNTLIBSOJKPIBL-UHFFFAOYSA-N 0 0 282.343 4.383 10 0 CIAERN Nc1ccccc1SCc1ccc(Br)cc1 ZINC000008435804 170336521 /nfs/dbraw/zinc/33/65/21/170336521.db2.gz UXXICNWZOQDYMJ-UHFFFAOYSA-N 0 0 294.217 4.324 10 0 CIAERN Cc1cc(C)cc(NC(=O)c2ccnc(C(C)(C)C)c2)c1 ZINC000008549059 170339630 /nfs/dbraw/zinc/33/96/30/170339630.db2.gz PGMMWRPSNKICNQ-UHFFFAOYSA-N 0 0 282.387 4.248 10 0 CIAERN Cc1ccc(NC(=O)c2cc(C)nc3ccc(F)cc32)cc1 ZINC000008550246 170339873 /nfs/dbraw/zinc/33/98/73/170339873.db2.gz WUVHNKJZXNHAEX-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN CCOc1cccc2cc(C(=O)Nc3ccc(C)cc3)oc21 ZINC000008960881 170359872 /nfs/dbraw/zinc/35/98/72/170359872.db2.gz JITCWQBYDPUYQF-UHFFFAOYSA-N 0 0 295.338 4.392 10 0 CIAERN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009331103 170372484 /nfs/dbraw/zinc/37/24/84/170372484.db2.gz XUYHTEDGKGGUHV-FHLIZLRMSA-N 0 0 283.346 4.379 10 0 CIAERN CCc1cccc2sc(NC(=O)C3CCCCC3)nc21 ZINC000009832397 170386531 /nfs/dbraw/zinc/38/65/31/170386531.db2.gz RYCPXANFUQEIMX-UHFFFAOYSA-N 0 0 288.416 4.378 10 0 CIAERN Cc1ccccc1-c1nc(-c2cccc(N)c2)cs1 ZINC000011568342 170420744 /nfs/dbraw/zinc/42/07/44/170420744.db2.gz CZZWTKYVPDCOHD-UHFFFAOYSA-N 0 0 266.369 4.368 10 0 CIAERN Cc1ccc(C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000011631572 170429385 /nfs/dbraw/zinc/42/93/85/170429385.db2.gz WJRZDOBPZXOCEA-UHFFFAOYSA-N 0 0 250.341 4.105 10 0 CIAERN CC(C)(C)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000011639050 170431332 /nfs/dbraw/zinc/43/13/32/170431332.db2.gz HRQQUXGPEZCPBG-UHFFFAOYSA-N 0 0 267.372 4.266 10 0 CIAERN Cc1ccc(Cl)c2cc(-c3ccccc3)c(=NN)[nH]c12 ZINC000011731229 170435057 /nfs/dbraw/zinc/43/50/57/170435057.db2.gz YVOPIBPQLXSEJY-UHFFFAOYSA-N 0 0 283.762 4.149 10 0 CIAERN CCc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013456769 170552196 /nfs/dbraw/zinc/55/21/96/170552196.db2.gz ATPLLJHVRJWGIN-ZHACJKMWSA-N 0 0 298.382 4.445 10 0 CIAERN c1ccc(Cc2c3nccnc3[nH]c2-c2ccccc2)cc1 ZINC000013492973 170556198 /nfs/dbraw/zinc/55/61/98/170556198.db2.gz CBALVKLWBKZXIX-UHFFFAOYSA-N 0 0 285.350 4.216 10 0 CIAERN Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCC2 ZINC000013493371 170556669 /nfs/dbraw/zinc/55/66/69/170556669.db2.gz AKVOCTBVCGJYJD-UHFFFAOYSA-N 0 0 293.391 4.203 10 0 CIAERN Oc1ccc(-c2cc(F)c3cc(O)ccc3c2)cc1 ZINC000013645086 170572572 /nfs/dbraw/zinc/57/25/72/170572572.db2.gz KBQSRNQTSRTYGN-UHFFFAOYSA-N 0 0 254.260 4.057 10 0 in-vivo CIAERN CSCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000013651938 170573835 /nfs/dbraw/zinc/57/38/35/170573835.db2.gz YIVXWBDLMPGLPZ-INIZCTEOSA-N 0 0 280.433 4.154 10 0 CIAERN COc1cc2cc(-c3ccc(C)cc3)cnc2cc1OC ZINC000013737715 170584869 /nfs/dbraw/zinc/58/48/69/170584869.db2.gz CMEIVVNDSVPQKC-UHFFFAOYSA-N 0 0 279.339 4.227 10 0 in-vivo CIAERN Cc1ccc(N2[C@H](C)C(=O)SC23CCCCC3)cc1C ZINC000016312321 170693005 /nfs/dbraw/zinc/69/30/05/170693005.db2.gz WUESWRFNYIZUHT-CQSZACIVSA-N 0 0 289.444 4.432 10 0 CIAERN Cc1cc(C(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1F ZINC000016738482 170710880 /nfs/dbraw/zinc/71/08/80/170710880.db2.gz VHPVAWBACXGHFX-CABCVRRESA-N 0 0 254.304 4.121 10 0 CIAERN COc1ccc(N[C@H](C)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000019233364 170757959 /nfs/dbraw/zinc/75/79/59/170757959.db2.gz IUYXVGBLNNNNNS-QLFDAEIZSA-N 0 0 286.419 4.107 10 0 CIAERN Cc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000019263205 170763297 /nfs/dbraw/zinc/76/32/97/170763297.db2.gz AMMOCFADDQJWAS-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000019396703 170783095 /nfs/dbraw/zinc/78/30/95/170783095.db2.gz ZPTXQMCNDLNDHY-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)cc1N ZINC000019404673 170786542 /nfs/dbraw/zinc/78/65/42/170786542.db2.gz IAFXRLMBWNQUEJ-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Fc1ccc(OCc2cccs2)c(Br)c1 ZINC000019475127 170806907 /nfs/dbraw/zinc/80/69/07/170806907.db2.gz JBHNEAZDYYDNBH-UHFFFAOYSA-N 0 0 287.153 4.229 10 0 CIAERN O=C(CCC1CCCCC1)Nc1cccc2c1CCCN2 ZINC000019803459 170872497 /nfs/dbraw/zinc/87/24/97/170872497.db2.gz VBLGLUMDSNFCEZ-UHFFFAOYSA-N 0 0 286.419 4.344 10 0 CIAERN Nc1cc(Cl)ccc1SCc1cccs1 ZINC000019815422 170880993 /nfs/dbraw/zinc/88/09/93/170880993.db2.gz LCHAIFJQXCUXHI-UHFFFAOYSA-N 0 0 255.795 4.276 10 0 CIAERN Nc1cccc(Cl)c1Sc1nc2ccccc2o1 ZINC000019845664 170893851 /nfs/dbraw/zinc/89/38/51/170893851.db2.gz ZDGIVHPHUCZSCG-UHFFFAOYSA-N 0 0 276.748 4.215 10 0 CIAERN Fc1ccc([C@H](Nc2cccnc2)c2ccccc2)cc1 ZINC000019884262 170909075 /nfs/dbraw/zinc/90/90/75/170909075.db2.gz DWSFOHNGRBOGAZ-GOSISDBHSA-N 0 0 278.330 4.422 10 0 CIAERN Oc1ccc2c(c1)OC[C@@H]2Nc1cccc2ccccc21 ZINC000019900885 170913089 /nfs/dbraw/zinc/91/30/89/170913089.db2.gz WZJVOGGTDIPOJP-KRWDZBQOSA-N 0 0 277.323 4.091 10 0 CIAERN Cc1ccc(N[C@H](C)c2cccnc2)c(Br)c1 ZINC000019901612 170913665 /nfs/dbraw/zinc/91/36/65/170913665.db2.gz SKZYOEKUKWGYBZ-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN C[C@H](Nc1cccc2c1CCCC2)c1ccc(O)cc1 ZINC000019906192 170918270 /nfs/dbraw/zinc/91/82/70/170918270.db2.gz XZVGYCZLUSSRPU-ZDUSSCGKSA-N 0 0 267.372 4.444 10 0 CIAERN c1ccc2c(c1)CC[C@H]2Nc1cccc2ncccc21 ZINC000019906847 170919213 /nfs/dbraw/zinc/91/92/13/170919213.db2.gz YCYGLOPNSODTRE-GOSISDBHSA-N 0 0 260.340 4.334 10 0 CIAERN CC[C@H](Nc1ccc(C(N)=O)cc1)c1cccc(Cl)c1 ZINC000019911453 170921856 /nfs/dbraw/zinc/92/18/56/170921856.db2.gz GIXCESROFGBJMC-HNNXBMFYSA-N 0 0 288.778 4.002 10 0 CIAERN CCOc1ccc(NCc2ccc(C)cc2)cc1OCC ZINC000019912204 170922137 /nfs/dbraw/zinc/92/21/37/170922137.db2.gz QCMBLIJFTWFOPC-UHFFFAOYSA-N 0 0 285.387 4.405 10 0 CIAERN Cc1cc2c(ncnc2Nc2c(C)cccc2C)s1 ZINC000019948598 170937803 /nfs/dbraw/zinc/93/78/03/170937803.db2.gz UJVZTACBUYAFFN-UHFFFAOYSA-N 0 0 269.373 4.360 10 0 CIAERN COc1ccc(OC)c([C@@H](C)Nc2cc(C)cc(C)c2)c1 ZINC000019952877 170940109 /nfs/dbraw/zinc/94/01/09/170940109.db2.gz IEJFLHVVAGJYAM-CQSZACIVSA-N 0 0 285.387 4.494 10 0 CIAERN COc1ccc([C@H](C)Nc2ccccc2C)cc1F ZINC000019965125 170946852 /nfs/dbraw/zinc/94/68/52/170946852.db2.gz MFJHSFSTIFZXOZ-LBPRGKRZSA-N 0 0 259.324 4.316 10 0 CIAERN CCCCCNc1ccc(Br)c(C)c1 ZINC000020004698 170967155 /nfs/dbraw/zinc/96/71/55/170967155.db2.gz MCRBWQYWTVIGEQ-UHFFFAOYSA-N 0 0 256.187 4.360 10 0 CIAERN CCC(=O)Nc1cccc(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000020131840 171020614 /nfs/dbraw/zinc/02/06/14/171020614.db2.gz SGQHLFOAWRDMNH-SWLSCSKDSA-N 0 0 260.381 4.026 10 0 CIAERN Cc1nc([C@H](C)N[C@H](C)c2cccs2)c(C)s1 ZINC000020148660 171037092 /nfs/dbraw/zinc/03/70/92/171037092.db2.gz GGXNLHNPBOBMFI-BDAKNGLRSA-N 0 0 266.435 4.233 10 0 CIAERN Oc1cccc(N[C@H]2CCCCc3ccccc32)c1 ZINC000020193311 171059354 /nfs/dbraw/zinc/05/93/54/171059354.db2.gz ONKLMCGDDXIIBD-KRWDZBQOSA-N 0 0 253.345 4.272 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1nc2ccccc2s1 ZINC000020193845 171059388 /nfs/dbraw/zinc/05/93/88/171059388.db2.gz QQMVSBNCBNONQF-JTQLQIEISA-N 0 0 270.357 4.175 10 0 CIAERN Cc1c(N)cccc1C(=O)Nc1ccccc1C(C)(C)C ZINC000020194526 171059885 /nfs/dbraw/zinc/05/98/85/171059885.db2.gz ALORPRAPNJFVRJ-UHFFFAOYSA-N 0 0 282.387 4.127 10 0 CIAERN Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1N ZINC000020220831 171082173 /nfs/dbraw/zinc/08/21/73/171082173.db2.gz UYCVLQDZOGOFDR-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1ccc(NCc2ccc3ccccc3n2)c(C)c1 ZINC000020246167 171099020 /nfs/dbraw/zinc/09/90/20/171099020.db2.gz RZSOQURRYFPSDT-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN Cc1ccc(NCc2ccc3ccccc3n2)cc1C ZINC000020246260 171099136 /nfs/dbraw/zinc/09/91/36/171099136.db2.gz HPRXSWSUPAZPJS-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN CC(=O)c1ccccc1OCc1ccc2ccccc2n1 ZINC000020246596 171100410 /nfs/dbraw/zinc/10/04/10/171100410.db2.gz GWSQUCXFQAHXSY-UHFFFAOYSA-N 0 0 277.323 4.016 10 0 CIAERN O=Cc1ccc(Oc2ccc(Cl)cc2Cl)o1 ZINC000020274345 171131412 /nfs/dbraw/zinc/13/14/12/171131412.db2.gz NTYVKNZGBLOEAM-UHFFFAOYSA-N 0 0 257.072 4.191 10 0 CIAERN COC(=O)c1ccc(CSc2ccccc2Cl)cc1 ZINC000020297436 171137492 /nfs/dbraw/zinc/13/74/92/171137492.db2.gz QGWDJCUEPZDAFP-UHFFFAOYSA-N 0 0 292.787 4.419 10 0 CIAERN CC(C)c1ccccc1N[C@@H](C)C(=O)Nc1ccccc1 ZINC000020301070 171138841 /nfs/dbraw/zinc/13/88/41/171138841.db2.gz VRWUOEMJSJCJSY-AWEZNQCLSA-N 0 0 282.387 4.249 10 0 CIAERN CC(C)[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000020302675 171139765 /nfs/dbraw/zinc/13/97/65/171139765.db2.gz WYVKOLWLFKXZAY-ZETCQYMHSA-N 0 0 266.694 4.210 10 0 CIAERN CCOC(=O)Cc1nc(-c2cccc3ccccc32)cs1 ZINC000020311657 171144523 /nfs/dbraw/zinc/14/45/23/171144523.db2.gz RZXXQEIPDYBESM-UHFFFAOYSA-N 0 0 297.379 4.069 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(F)cc1N ZINC000020352142 171155962 /nfs/dbraw/zinc/15/59/62/171155962.db2.gz FABLSEMNPZNULT-GHJWDPDVSA-N 0 0 265.372 4.248 10 0 CIAERN CC(C)c1ccc(COc2ccc(F)cc2N)cc1 ZINC000020352128 171156316 /nfs/dbraw/zinc/15/63/16/171156316.db2.gz KRMHRFFWPZPMIM-UHFFFAOYSA-N 0 0 259.324 4.110 10 0 CIAERN CCN(Cc1ccccc1)c1ccc(C(C)=O)cc1F ZINC000020358816 171158017 /nfs/dbraw/zinc/15/80/17/171158017.db2.gz CCTVJQIFESHUCD-UHFFFAOYSA-N 0 0 271.335 4.055 10 0 CIAERN CCCCCCNc1cc(OC)c(Cl)cc1OC ZINC000020360446 171158664 /nfs/dbraw/zinc/15/86/64/171158664.db2.gz VVKMMBDVTHMFII-UHFFFAOYSA-N 0 0 271.788 4.349 10 0 CIAERN CCOc1ccccc1CNc1cccc(Cl)c1F ZINC000020361681 171159970 /nfs/dbraw/zinc/15/99/70/171159970.db2.gz MUGMERQRWBSRHO-UHFFFAOYSA-N 0 0 279.742 4.490 10 0 CIAERN COc1ccc2oc(C(=O)c3ccc(C)s3)c(C)c2c1 ZINC000020362353 171160921 /nfs/dbraw/zinc/16/09/21/171160921.db2.gz BEPSFCUMVJYLKO-UHFFFAOYSA-N 0 0 286.352 4.351 10 0 CIAERN N[C@H](c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000020369168 171166942 /nfs/dbraw/zinc/16/69/42/171166942.db2.gz YNCPWOYHBVFAGG-HNNXBMFYSA-N 0 0 257.720 4.134 10 0 CIAERN Nc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000020374738 171170525 /nfs/dbraw/zinc/17/05/25/171170525.db2.gz UDHWUOSANLLVSN-UHFFFAOYSA-N 0 0 278.142 4.119 10 0 CIAERN C[C@@H](Nc1ccc(N)cn1)c1ccc(Cl)cc1Cl ZINC000020381431 171172762 /nfs/dbraw/zinc/17/27/62/171172762.db2.gz FUKQYEQDEFXQMJ-MRVPVSSYSA-N 0 0 282.174 4.144 10 0 CIAERN C[C@H](Nc1ccc(Br)cc1N)c1ccccc1 ZINC000020381916 171172852 /nfs/dbraw/zinc/17/28/52/171172852.db2.gz KJFCAVFTOPJTHF-JTQLQIEISA-N 0 0 291.192 4.204 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1ccc(N)c(C(F)(F)F)c1 ZINC000020383689 171173997 /nfs/dbraw/zinc/17/39/97/171173997.db2.gz ZXBNSUAQUSVAKO-NOZJJQNGSA-N 0 0 272.314 4.278 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(N)cc2Cl)[C@@H]1C ZINC000020383488 171174369 /nfs/dbraw/zinc/17/43/69/171174369.db2.gz MBSLLPFHMCHGKP-GIPNMCIBSA-N 0 0 252.789 4.159 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(N)c(C(F)(F)F)c1 ZINC000020383681 171174496 /nfs/dbraw/zinc/17/44/96/171174496.db2.gz ZXBNSUAQUSVAKO-RNCFNFMXSA-N 0 0 272.314 4.278 10 0 CIAERN Cc1cccc2cc([C@@H](N)c3ccc(Cl)cc3)oc21 ZINC000020389209 171178221 /nfs/dbraw/zinc/17/82/21/171178221.db2.gz GJSWQBUJCHXBDH-HNNXBMFYSA-N 0 0 271.747 4.443 10 0 CIAERN Cc1ccc2oc([C@@H](N)c3ccc(Cl)cc3)cc2c1 ZINC000020389389 171178255 /nfs/dbraw/zinc/17/82/55/171178255.db2.gz ARLPELHSXGQJCU-INIZCTEOSA-N 0 0 271.747 4.443 10 0 CIAERN Cc1cc(C)c(-c2nc3ccc(N)cc3o2)c(C)c1 ZINC000020424026 171190826 /nfs/dbraw/zinc/19/08/26/171190826.db2.gz WBKOIMDUJAQEST-UHFFFAOYSA-N 0 0 252.317 4.002 10 0 CIAERN Cc1cc(CO)cc(C)c1OCc1ccccc1Cl ZINC000020425036 171191531 /nfs/dbraw/zinc/19/15/31/171191531.db2.gz PJXVZQCQMZUOSK-UHFFFAOYSA-N 0 0 276.763 4.028 10 0 CIAERN CCCOc1ccc(Oc2ccccc2C=O)cc1 ZINC000020473956 171218011 /nfs/dbraw/zinc/21/80/11/171218011.db2.gz BNWYHTNOJXNHKC-UHFFFAOYSA-N 0 0 256.301 4.080 10 0 CIAERN Cc1cc([C@@H](C)Nc2c(F)cccc2F)c(C)o1 ZINC000020475986 171220071 /nfs/dbraw/zinc/22/00/71/171220071.db2.gz MLBOUYOVPKGXIG-SECBINFHSA-N 0 0 251.276 4.348 10 0 CIAERN CCCC[C@H](CC)C(=O)Nc1ccc(Cl)cc1N ZINC000020481654 171222145 /nfs/dbraw/zinc/22/21/45/171222145.db2.gz KPWWOEMKYHAORN-JTQLQIEISA-N 0 0 268.788 4.077 10 0 CIAERN CCCC[C@@H](CC)C(=O)Nc1ccc(N)cc1Cl ZINC000020481699 171222287 /nfs/dbraw/zinc/22/22/87/171222287.db2.gz IUXPQTIBCUELAY-SNVBAGLBSA-N 0 0 268.788 4.077 10 0 CIAERN CCCC[C@H](CC)COc1ccc(C=O)cc1F ZINC000020517173 171232904 /nfs/dbraw/zinc/23/29/04/171232904.db2.gz JXXYFNLAYXIGSX-LBPRGKRZSA-N 0 0 252.329 4.233 10 0 CIAERN CC(=O)c1c(F)cccc1OC[C@@H]1CC=CC[C@@H]1C ZINC000020519266 171233560 /nfs/dbraw/zinc/23/35/60/171233560.db2.gz IRXZGASMLORMHH-AAEUAGOBSA-N 0 0 262.324 4.009 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(Br)cc1 ZINC000020524395 171237440 /nfs/dbraw/zinc/23/74/40/171237440.db2.gz STHMICCODVEJIN-SNVBAGLBSA-N 0 0 286.213 4.065 10 0 CIAERN CC(C)C[C@@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000020545000 171242993 /nfs/dbraw/zinc/24/29/93/171242993.db2.gz RQGKOIUYELYTGS-SECBINFHSA-N 0 0 261.287 4.101 10 0 CIAERN C[C@H](Oc1cccc(Cl)c1C=O)c1ccccc1 ZINC000020549964 171246629 /nfs/dbraw/zinc/24/66/29/171246629.db2.gz DAYQNERKNAHOFO-NSHDSACASA-N 0 0 260.720 4.293 10 0 CIAERN FC(F)(F)CNc1cc(C(F)(F)F)ccc1Cl ZINC000020551820 171247288 /nfs/dbraw/zinc/24/72/88/171247288.db2.gz QXPLJFMSTPJFOZ-UHFFFAOYSA-N 0 0 277.595 4.333 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000020552771 171248055 /nfs/dbraw/zinc/24/80/55/171248055.db2.gz VIUGALRMFQNMTM-SKDRFNHKSA-N 0 0 273.298 4.245 10 0 CIAERN COc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)c1 ZINC000020557749 171250860 /nfs/dbraw/zinc/25/08/60/171250860.db2.gz KQCHRTAOSREJQN-TZMCWYRMSA-N 0 0 277.408 4.331 10 0 CIAERN Cc1ccc(N[C@@H](C)C(C)C)c(Br)c1 ZINC000020559675 171251214 /nfs/dbraw/zinc/25/12/14/171251214.db2.gz OVZKBNVEFWFQMU-JTQLQIEISA-N 0 0 256.187 4.214 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc2c(c1)OCCO2 ZINC000020560646 171252037 /nfs/dbraw/zinc/25/20/37/171252037.db2.gz HMXQJNUACAYJEH-KBMXLJTQSA-N 0 0 289.419 4.331 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(N)cc1Cl ZINC000020563197 171252661 /nfs/dbraw/zinc/25/26/61/171252661.db2.gz RMBKQRBLCRHXQV-MFKMUULPSA-N 0 0 253.773 4.270 10 0 CIAERN Brc1cccc(OCCc2ccccc2)c1 ZINC000020564958 171253666 /nfs/dbraw/zinc/25/36/66/171253666.db2.gz RAZNQSVQYCRIAT-UHFFFAOYSA-N 0 0 277.161 4.071 10 0 CIAERN CCC1CCC(Nc2ccc(OC)cc2OC)CC1 ZINC000020565492 171254139 /nfs/dbraw/zinc/25/41/39/171254139.db2.gz GBDPTEAHQYNKLM-UHFFFAOYSA-N 0 0 263.381 4.085 10 0 CIAERN CCCCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020567178 171255089 /nfs/dbraw/zinc/25/50/89/171255089.db2.gz LLJPVGJQVYBXAX-UHFFFAOYSA-N 0 0 266.694 4.356 10 0 CIAERN CSc1cccc(Nc2ccc(N)cc2Cl)c1 ZINC000020584665 171258221 /nfs/dbraw/zinc/25/82/21/171258221.db2.gz QHSNDFPKYFOXIN-UHFFFAOYSA-N 0 0 264.781 4.388 10 0 CIAERN Cc1cc(Br)ccc1Nc1ccccc1N ZINC000020584996 171258620 /nfs/dbraw/zinc/25/86/20/171258620.db2.gz NMMQCRYYCPLYRN-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Cc1cc(Nc2ccccc2N)ccc1Br ZINC000020585248 171258681 /nfs/dbraw/zinc/25/86/81/171258681.db2.gz BZSSRIKPQQIQOV-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Nc1cc(Br)ccc1Nc1cccc(Cl)c1 ZINC000020585488 171258722 /nfs/dbraw/zinc/25/87/22/171258722.db2.gz WAWZYWJWKPKXHH-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN CSc1ccc(Nc2c(N)cccc2Cl)cc1 ZINC000020585086 171258766 /nfs/dbraw/zinc/25/87/66/171258766.db2.gz GGGYOFKIGXIRGG-UHFFFAOYSA-N 0 0 264.781 4.388 10 0 CIAERN Nc1cc(Br)ccc1Nc1ccccc1Cl ZINC000020585572 171258908 /nfs/dbraw/zinc/25/89/08/171258908.db2.gz ZHDDEICEOYBCHU-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2N)cc1C ZINC000020585767 171258931 /nfs/dbraw/zinc/25/89/31/171258931.db2.gz XHEMGFBILVJZLG-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Nc1cc(Br)ccc1Nc1c(F)cccc1F ZINC000020585879 171258965 /nfs/dbraw/zinc/25/89/65/171258965.db2.gz XQXOQBWIIYHNEM-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Cc1cc(F)ccc1Nc1c(N)cccc1Cl ZINC000020585679 171259003 /nfs/dbraw/zinc/25/90/03/171259003.db2.gz DXPDMEUERXVFII-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1cccc(Cl)c1Nc1cccc(Cl)c1F ZINC000020585910 171259033 /nfs/dbraw/zinc/25/90/33/171259033.db2.gz NLMFYQUXVDQIHR-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Cc1cc(F)ccc1Nc1ccc(N)cc1Cl ZINC000020585683 171259102 /nfs/dbraw/zinc/25/91/02/171259102.db2.gz JXLKUCSOWZSFHF-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1cc(Cl)ccc1Nc1cccc(Br)c1 ZINC000020585563 171259145 /nfs/dbraw/zinc/25/91/45/171259145.db2.gz YDCPFVMQHYONND-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN CCc1cccc(Nc2ccc(Br)cc2N)c1 ZINC000020585708 171259171 /nfs/dbraw/zinc/25/91/71/171259171.db2.gz RQOKYVYVINDYML-UHFFFAOYSA-N 0 0 291.192 4.337 10 0 CIAERN CCCc1n[nH]c(=S)n1C1CCCCCCC1 ZINC000020589071 171260465 /nfs/dbraw/zinc/26/04/65/171260465.db2.gz LSPQGAGTPPHKED-UHFFFAOYSA-N 0 0 253.415 4.179 10 0 CIAERN CCC[C@@H](C)n1c(=S)[nH]nc1-c1cccs1 ZINC000020591117 171261242 /nfs/dbraw/zinc/26/12/42/171261242.db2.gz GKWRLHINMCESMV-MRVPVSSYSA-N 0 0 253.396 4.030 10 0 CIAERN C[C@@H]1CCCC[C@@H]1n1c(=S)[nH]nc1-c1cccs1 ZINC000020591258 171261255 /nfs/dbraw/zinc/26/12/55/171261255.db2.gz LXGBMQBWVVBZSX-ZJUUUORDSA-N 0 0 279.434 4.420 10 0 CIAERN O=C(c1cc2ccccc2o1)c1ccc(F)c(Cl)c1 ZINC000020592584 171262062 /nfs/dbraw/zinc/26/20/62/171262062.db2.gz MJHHUBYQPGZMLM-UHFFFAOYSA-N 0 0 274.678 4.456 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(F)cc1Cl ZINC000020594683 171263706 /nfs/dbraw/zinc/26/37/06/171263706.db2.gz WHSCFAYUHYONSQ-SECBINFHSA-N 0 0 259.752 4.095 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1Cl)c1cccc(O)c1 ZINC000020594959 171263721 /nfs/dbraw/zinc/26/37/21/171263721.db2.gz QVAAOCVQYGJIQX-SECBINFHSA-N 0 0 265.715 4.358 10 0 CIAERN CCCSc1nnc(C(C)(C)C)n1-c1ccccc1 ZINC000020838588 171275655 /nfs/dbraw/zinc/27/56/55/171275655.db2.gz UAUCJVISMSNGPV-UHFFFAOYSA-N 0 0 275.421 4.067 10 0 CIAERN Fc1cccc(-c2nnc(Cc3ccccc3Cl)o2)c1 ZINC000020852223 171276019 /nfs/dbraw/zinc/27/60/19/171276019.db2.gz GBCPORHQXHPYDP-UHFFFAOYSA-N 0 0 288.709 4.120 10 0 CIAERN CC[C@H](C)NC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000020986012 171282884 /nfs/dbraw/zinc/28/28/84/171282884.db2.gz JRANDGIJRGBHAI-LBPRGKRZSA-N 0 0 298.411 4.220 10 0 CIAERN CC(C)C[C@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000021008949 171285391 /nfs/dbraw/zinc/28/53/91/171285391.db2.gz IMNGEWDQBCTIIN-JTQLQIEISA-N 0 0 261.287 4.432 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000021008844 171285439 /nfs/dbraw/zinc/28/54/39/171285439.db2.gz KJLVFQFJJBQJKO-ZJUUUORDSA-N 0 0 261.287 4.432 10 0 CIAERN Cc1ccc(F)cc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000021008505 171285466 /nfs/dbraw/zinc/28/54/66/171285466.db2.gz GXDRWZNJKZGPGR-RISCZKNCSA-N 0 0 259.324 4.463 10 0 CIAERN COc1ccc(NCC2CCCCC2)cc1Cl ZINC000021008849 171285482 /nfs/dbraw/zinc/28/54/82/171285482.db2.gz LWJWLMVJUGNLLH-UHFFFAOYSA-N 0 0 253.773 4.341 10 0 CIAERN COc1ccc(Cl)cc1NCc1ccc(C)cc1 ZINC000021019706 171290088 /nfs/dbraw/zinc/29/00/88/171290088.db2.gz WBNQDTKQOPCHOW-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN COc1ccc(NC2CCC(c3ccccc3)CC2)cn1 ZINC000021019928 171290471 /nfs/dbraw/zinc/29/04/71/171290471.db2.gz JORJBHAMMUFOOJ-UHFFFAOYSA-N 0 0 282.387 4.229 10 0 CIAERN CCOc1ccc(NC2CCCCC2)cc1OCC ZINC000021022272 171290649 /nfs/dbraw/zinc/29/06/49/171290649.db2.gz NVBVBUYGZQHFJT-UHFFFAOYSA-N 0 0 263.381 4.229 10 0 CIAERN CC(C)c1cccc(Oc2ccc(C(N)=S)cc2)c1 ZINC000021030856 171291741 /nfs/dbraw/zinc/29/17/41/171291741.db2.gz JAQCHNCXXTYINT-UHFFFAOYSA-N 0 0 271.385 4.237 10 0 CIAERN CC(C)(C)c1ccc(Nc2ccc(C(N)=S)cc2)cc1 ZINC000021034862 171292376 /nfs/dbraw/zinc/29/23/76/171292376.db2.gz TYBJQIWHPRKUDY-UHFFFAOYSA-N 0 0 284.428 4.362 10 0 CIAERN COc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1C ZINC000021039522 171293364 /nfs/dbraw/zinc/29/33/64/171293364.db2.gz BGOTWAGFNVTKJZ-PWSUYJOCSA-N 0 0 253.773 4.339 10 0 CIAERN Cc1ccc(OC[C@H](N)c2cc3ccccc3o2)c(C)c1 ZINC000021042233 171293600 /nfs/dbraw/zinc/29/36/00/171293600.db2.gz BYLLDVDISRSBQN-HNNXBMFYSA-N 0 0 281.355 4.128 10 0 CIAERN COc1cccc(N[C@H](C)CCc2ccccc2)c1 ZINC000021043846 171293671 /nfs/dbraw/zinc/29/36/71/171293671.db2.gz VEBVJJSQOUJSGV-CQSZACIVSA-N 0 0 255.361 4.128 10 0 CIAERN COc1cc(NCC2CCCCC2)c(OC)cc1Cl ZINC000021058632 171296207 /nfs/dbraw/zinc/29/62/07/171296207.db2.gz ULAANIWGKDJZSK-UHFFFAOYSA-N 0 0 283.799 4.349 10 0 CIAERN Cc1ccc2c(c1)N=C(C1CC1)NC(c1ccc(F)cc1)=N2 ZINC000021169510 171299068 /nfs/dbraw/zinc/29/90/68/171299068.db2.gz FKEQHEQVSZLZOJ-UHFFFAOYSA-N 0 0 293.345 4.446 10 0 CIAERN Cc1c(Cl)cc(C(=O)Nc2ccccc2F)c(F)c1F ZINC000021266657 171300556 /nfs/dbraw/zinc/30/05/56/171300556.db2.gz JSPWOMDOYUAQFB-UHFFFAOYSA-N 0 0 299.679 4.318 10 0 CIAERN CC(C)c1cccc(OCc2cccc(C(N)=S)c2)c1 ZINC000021501892 171305774 /nfs/dbraw/zinc/30/57/74/171305774.db2.gz OYECPWZNFGCYSV-UHFFFAOYSA-N 0 0 285.412 4.023 10 0 CIAERN CCC(C)(C)C1CCC(NCC(F)(F)F)CC1 ZINC000021506075 171308229 /nfs/dbraw/zinc/30/82/29/171308229.db2.gz TZKWEXKSJNOKLR-UHFFFAOYSA-N 0 0 251.336 4.133 10 0 CIAERN CCN(Cc1ccc2c(c1)CCCN2)c1ccccc1 ZINC000021508193 171308699 /nfs/dbraw/zinc/30/86/99/171308699.db2.gz MEVROZNIGSCJNF-UHFFFAOYSA-N 0 0 266.388 4.071 10 0 CIAERN Nc1ccc2oc(-c3cc4c(s3)CCCCC4)nc2c1 ZINC000021508722 171309111 /nfs/dbraw/zinc/30/91/11/171309111.db2.gz YGCPREUCCQXTRU-UHFFFAOYSA-N 0 0 284.384 4.407 10 0 CIAERN CCOc1ccc(N[C@@H](C)[C@@H](C)CC)cc1OCC ZINC000021510688 171310177 /nfs/dbraw/zinc/31/01/77/171310177.db2.gz KAIOPGJMGSJNEN-STQMWFEESA-N 0 0 265.397 4.331 10 0 CIAERN COc1ccc(C)cc1[C@H](C)Nc1cc(F)cc(F)c1 ZINC000021516209 171312600 /nfs/dbraw/zinc/31/26/00/171312600.db2.gz WTEQLZULRNDCCS-NSHDSACASA-N 0 0 277.314 4.455 10 0 CIAERN Cc1cc(Br)cc(C)c1NCC(C)C ZINC000021515819 171312663 /nfs/dbraw/zinc/31/26/63/171312663.db2.gz SIBVFVGNWYMIPQ-UHFFFAOYSA-N 0 0 256.187 4.134 10 0 CIAERN CC(C)C[C@H](C)Nc1ccccc1OC(F)(F)F ZINC000021518335 171314554 /nfs/dbraw/zinc/31/45/54/171314554.db2.gz VCQKLPUBGHCVIV-JTQLQIEISA-N 0 0 261.287 4.432 10 0 CIAERN C[C@@H](Nc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000021520853 171315974 /nfs/dbraw/zinc/31/59/74/171315974.db2.gz XPYXAEFRDBDCSG-JISDDCRVSA-N 0 0 256.393 4.098 10 0 CIAERN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(O)c1 ZINC000021792685 171324418 /nfs/dbraw/zinc/32/44/18/171324418.db2.gz RGAUUBYGVFMQMU-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN CCC[C@@H](C)Nc1ccc(C)cc1Br ZINC000021805118 171326984 /nfs/dbraw/zinc/32/69/84/171326984.db2.gz AZUXSYDDQZUSCR-SNVBAGLBSA-N 0 0 256.187 4.358 10 0 CIAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc2c(c1)OCCCO2 ZINC000021806085 171327378 /nfs/dbraw/zinc/32/73/78/171327378.db2.gz AEZAFOIFOBIKHD-CHWSQXEVSA-N 0 0 275.392 4.085 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Oc1c(N)cccc1Cl ZINC000021811708 171329243 /nfs/dbraw/zinc/32/92/43/171329243.db2.gz LZXJZUSGNIKLHO-MFKMUULPSA-N 0 0 253.773 4.270 10 0 CIAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc(OC)cc1OC ZINC000021811561 171329270 /nfs/dbraw/zinc/32/92/70/171329270.db2.gz ONLPUWNCZDTHPJ-CHWSQXEVSA-N 0 0 265.397 4.331 10 0 CIAERN CC[C@H]1CCCC[C@@H]1Oc1c(N)cccc1Cl ZINC000021811710 171329370 /nfs/dbraw/zinc/32/93/70/171329370.db2.gz LZXJZUSGNIKLHO-GWCFXTLKSA-N 0 0 253.773 4.270 10 0 CIAERN c1ccc(CCNc2cccc3c2CCCC3)cc1 ZINC000021812422 171329557 /nfs/dbraw/zinc/32/95/57/171329557.db2.gz KJUCJXCWAUZSIH-UHFFFAOYSA-N 0 0 251.373 4.220 10 0 CIAERN c1ccc(CCCNc2cccc3ncccc32)cc1 ZINC000021812252 171329850 /nfs/dbraw/zinc/32/98/50/171329850.db2.gz UYJSXPCCCROTSU-UHFFFAOYSA-N 0 0 262.356 4.280 10 0 CIAERN Cc1ccc(NCCc2ccc(Cl)cc2Cl)nc1 ZINC000021813489 171330993 /nfs/dbraw/zinc/33/09/93/171330993.db2.gz HFHGOXCESSLBDF-UHFFFAOYSA-N 0 0 281.186 4.351 10 0 CIAERN CC(C)N(Cc1ccccc1)c1ccc(N)cc1Cl ZINC000021815963 171332324 /nfs/dbraw/zinc/33/23/24/171332324.db2.gz SITNPAWFMFRLHT-UHFFFAOYSA-N 0 0 274.795 4.337 10 0 CIAERN CC(=O)c1ccc(Oc2ccc(C)c(C)c2)c(F)c1 ZINC000021817436 171332708 /nfs/dbraw/zinc/33/27/08/171332708.db2.gz DNYFSENWMKKBDF-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1O ZINC000021816995 171333047 /nfs/dbraw/zinc/33/30/47/171333047.db2.gz PRQVUMNPSBWBJD-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000021817723 171333145 /nfs/dbraw/zinc/33/31/45/171333145.db2.gz NRCCLSQCEHWCOV-BQBZGAKWSA-N 0 0 279.252 4.373 10 0 CIAERN Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C)cc(C)c2)cc1 ZINC000021819582 171334298 /nfs/dbraw/zinc/33/42/98/171334298.db2.gz MYYCHLSOMQELDJ-OAHLLOKOSA-N 0 0 282.387 4.051 10 0 CIAERN CCCCc1[nH]c2ccccc2c1I ZINC000021987787 171345563 /nfs/dbraw/zinc/34/55/63/171345563.db2.gz NFMSMKPEQUJSEB-UHFFFAOYSA-N 0 0 299.155 4.115 10 0 CIAERN Brc1ccc2nc3c(cc2c1)CCCCC3 ZINC000021987855 171345571 /nfs/dbraw/zinc/34/55/71/171345571.db2.gz INNGKKXTFPJGBH-UHFFFAOYSA-N 0 0 276.177 4.266 10 0 CIAERN CCOC(=O)/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C ZINC000022059048 171351817 /nfs/dbraw/zinc/35/18/17/171351817.db2.gz BONIYDFKKJJFBB-CDKJVOIVSA-N 0 0 288.387 4.143 10 0 in-vitro CIAERN Nc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000022145310 171356176 /nfs/dbraw/zinc/35/61/76/171356176.db2.gz KGUYYRLYYYUDIN-UHFFFAOYSA-N 0 0 296.157 4.220 10 0 CIAERN CCOc1ccc(NCc2ccc(F)cc2Cl)cc1 ZINC000022150910 171358628 /nfs/dbraw/zinc/35/86/28/171358628.db2.gz UPLKYZVFIMICGP-UHFFFAOYSA-N 0 0 279.742 4.490 10 0 CIAERN Cc1ccc2c(c1)CCN(C)c1cccc(Cl)c1O2 ZINC000026389262 171481277 /nfs/dbraw/zinc/48/12/77/171481277.db2.gz AUIXJAMXUZWJSI-UHFFFAOYSA-N 0 0 273.763 4.433 10 0 CIAERN Clc1ccc(OCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000026440472 171484241 /nfs/dbraw/zinc/48/42/41/171484241.db2.gz AOVFOFHJYXPODM-UHFFFAOYSA-N 0 0 293.153 4.449 10 0 CIAERN Cc1cc(NC2CCCCC2)c2c3nc[nH]c3ccc2n1 ZINC000027523497 171519286 /nfs/dbraw/zinc/51/92/86/171519286.db2.gz LMGSLFOZEXBRLT-UHFFFAOYSA-N 0 0 280.375 4.164 10 0 CIAERN Cn1c2ccc3ccccc3c2nc1-c1ccccc1O ZINC000027705297 171529119 /nfs/dbraw/zinc/52/91/19/171529119.db2.gz FTXZPUGDRRYTBW-UHFFFAOYSA-N 0 0 274.323 4.099 10 0 CIAERN CCc1ccc2nc(NC(=O)c3cccc(C)c3)sc2c1 ZINC000028284353 171555555 /nfs/dbraw/zinc/55/55/55/171555555.db2.gz RLTUUMFPQCXJHB-UHFFFAOYSA-N 0 0 296.395 4.419 10 0 CIAERN CCc1ccc(NC[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000032122184 171712326 /nfs/dbraw/zinc/71/23/26/171712326.db2.gz MBOAPQRIIPAGIS-MRXNPFEDSA-N 0 0 275.779 4.048 10 0 CIAERN Cc1cc(C)cc(NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000032122180 171712558 /nfs/dbraw/zinc/71/25/58/171712558.db2.gz KHWITXMRCFYZRA-MRXNPFEDSA-N 0 0 275.779 4.102 10 0 CIAERN COc1ccc(NC(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000033314899 171781945 /nfs/dbraw/zinc/78/19/45/171781945.db2.gz DPSUCCRRPPHMHS-YHYXMXQVSA-N 0 0 287.746 4.001 10 0 CIAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](O)[C@@H]2Cc1ccc(Cl)cc1 ZINC000034924560 171893381 /nfs/dbraw/zinc/89/33/81/171893381.db2.gz UCPLAHPZSMWPBJ-JYYAWHABSA-N 0 0 278.823 4.316 10 0 CIAERN COc1ccc(Br)cc1C(=O)C1CCCCC1 ZINC000034977066 171910763 /nfs/dbraw/zinc/91/07/63/171910763.db2.gz DPIJSNUBLCRMBI-UHFFFAOYSA-N 0 0 297.192 4.221 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)n2cnc3ccccc32)cc1C ZINC000034979938 171911932 /nfs/dbraw/zinc/91/19/32/171911932.db2.gz BNAFNQHYQWITGB-AWEZNQCLSA-N 0 0 278.355 4.097 10 0 CIAERN C[C@H](C(=O)c1cccc(Cl)c1)N1CCCCCCC1 ZINC000035036172 171942523 /nfs/dbraw/zinc/94/25/23/171942523.db2.gz IIWPCICQTDCHIY-CYBMUJFWSA-N 0 0 279.811 4.177 10 0 CIAERN Cc1ccc(Sc2ccc3scnc3c2N)cc1 ZINC000035060970 171962135 /nfs/dbraw/zinc/96/21/35/171962135.db2.gz RKWQPEHSXMSCTH-UHFFFAOYSA-N 0 0 272.398 4.338 10 0 CIAERN CC(C)(C)CC(C)(C)NC(=S)NC1CCCCCC1 ZINC000035082176 171967309 /nfs/dbraw/zinc/96/73/09/171967309.db2.gz ZUTNDOFKMHGXKE-UHFFFAOYSA-N 0 0 284.513 4.388 10 0 CIAERN O=C(Nc1cc(Cl)ccc1F)c1c[nH]c2ccccc12 ZINC000035134764 172001849 /nfs/dbraw/zinc/00/18/49/172001849.db2.gz ASVTUTHPRUAYFW-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN FC(F)(F)c1cc(NC[C@H]2CCCCO2)ccc1Cl ZINC000035150829 172013369 /nfs/dbraw/zinc/01/33/69/172013369.db2.gz ANUAFRXMBKFNHI-SNVBAGLBSA-N 0 0 293.716 4.340 10 0 CIAERN FC(F)(F)c1cc(Cl)ccc1NC[C@@H]1CCCCO1 ZINC000035150810 172013658 /nfs/dbraw/zinc/01/36/58/172013658.db2.gz KYGXCQNRBGJDEM-JTQLQIEISA-N 0 0 293.716 4.340 10 0 CIAERN Cc1ccc(C(C)C)c(OCc2nnsc2Cl)c1 ZINC000035163575 172024444 /nfs/dbraw/zinc/02/44/44/172024444.db2.gz XKUKTBRUNZGMQV-UHFFFAOYSA-N 0 0 282.796 4.202 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(F)c(F)c2)c(C)c1 ZINC000035181813 172035390 /nfs/dbraw/zinc/03/53/90/172035390.db2.gz QRDHHXQDWKCYBC-LBPRGKRZSA-N 0 0 290.309 4.232 10 0 CIAERN CCC(C)(C)c1ccc(OCC(=O)C(C)(C)C)cc1 ZINC000035182160 172035640 /nfs/dbraw/zinc/03/56/40/172035640.db2.gz OIEAEWWFYKCHHF-UHFFFAOYSA-N 0 0 262.393 4.368 10 0 CIAERN CCc1cccc(OCC(=O)c2ccc(Cl)cc2)c1 ZINC000035181661 172035709 /nfs/dbraw/zinc/03/57/09/172035709.db2.gz TWVRKQJJCNMXBT-UHFFFAOYSA-N 0 0 274.747 4.164 10 0 CIAERN Cc1ccc(C(=O)COc2cc(C)cc(C)c2)c(C)c1 ZINC000035182386 172036017 /nfs/dbraw/zinc/03/60/17/172036017.db2.gz TYSPVCARNJEPGL-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(F)cc2)cc1C ZINC000035182331 172036257 /nfs/dbraw/zinc/03/62/57/172036257.db2.gz ZAPBQQHTNUEMAQ-ZDUSSCGKSA-N 0 0 272.319 4.093 10 0 CIAERN CC[C@@H](C)SCC(=O)c1cc(C)c(C)cc1C ZINC000035182551 172036422 /nfs/dbraw/zinc/03/64/22/172036422.db2.gz FDCXTXJMLBVMQX-CYBMUJFWSA-N 0 0 250.407 4.326 10 0 CIAERN Cc1cccc(O[C@@H](C)C(=O)c2cccc(Cl)c2)c1 ZINC000035183706 172036879 /nfs/dbraw/zinc/03/68/79/172036879.db2.gz MOMXSYOALJYPDG-LBPRGKRZSA-N 0 0 274.747 4.299 10 0 CIAERN Cc1ccc(C)c(C(=O)[C@@H](C)Oc2ccccc2F)c1 ZINC000035183538 172036990 /nfs/dbraw/zinc/03/69/90/172036990.db2.gz ADUNMVMOGQEFSO-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN CC(C)CS[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182948 172037011 /nfs/dbraw/zinc/03/70/11/172037011.db2.gz VRMSBNAISGAOBN-JTQLQIEISA-N 0 0 256.798 4.300 10 0 CIAERN O=C(CSc1ccccc1)c1ccccc1Cl ZINC000035183984 172037184 /nfs/dbraw/zinc/03/71/84/172037184.db2.gz CBMYVWPQOSFONO-UHFFFAOYSA-N 0 0 262.761 4.315 10 0 CIAERN O=C(COc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035184119 172037231 /nfs/dbraw/zinc/03/72/31/172037231.db2.gz DZTDRJFBZGWDNG-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN C[C@@H](Oc1cccc(F)c1)C(=O)c1cccc(Cl)c1 ZINC000035184087 172037673 /nfs/dbraw/zinc/03/76/73/172037673.db2.gz DJZDEPLPYBXAFS-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN CC(C)c1ccccc1O[C@H](C)C(=O)c1ccccc1 ZINC000035184623 172037896 /nfs/dbraw/zinc/03/78/96/172037896.db2.gz DZTCMVHRWPJJHT-CQSZACIVSA-N 0 0 268.356 4.460 10 0 CIAERN Cc1ccc(C(=O)COc2ccc3ccccc3c2)cc1 ZINC000035184269 172038182 /nfs/dbraw/zinc/03/81/82/172038182.db2.gz NUUFVZDUDXDIQA-UHFFFAOYSA-N 0 0 276.335 4.410 10 0 CIAERN CCOC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1 ZINC000035186310 172040497 /nfs/dbraw/zinc/04/04/97/172040497.db2.gz QBBZXQYFYLAPAZ-UHFFFAOYSA-N 0 0 265.312 4.012 10 0 CIAERN CC(=O)c1ccc2ccccc2c1OCc1cccnc1 ZINC000035186749 172041067 /nfs/dbraw/zinc/04/10/67/172041067.db2.gz VJOLMJSDFVQYQF-UHFFFAOYSA-N 0 0 277.323 4.016 10 0 CIAERN Cc1cc(C)nc(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000035206286 172050142 /nfs/dbraw/zinc/05/01/42/172050142.db2.gz YVTCKFSGZBBCMQ-IILDEKEXSA-N 0 0 285.435 4.110 10 0 CIAERN CC[C@H](C)S[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035229252 172070127 /nfs/dbraw/zinc/07/01/27/172070127.db2.gz IMCIDLJZZHMUNJ-DTWKUNHWSA-N 0 0 258.333 4.068 10 0 CIAERN Cc1cc(Oc2ccccc2C(F)(F)F)ccc1N ZINC000035278321 172097354 /nfs/dbraw/zinc/09/73/54/172097354.db2.gz JIQAQFMYVSSLMG-UHFFFAOYSA-N 0 0 267.250 4.388 10 0 CIAERN Fc1ccc(Cl)cc1-n1c2ccccc2[nH]c1=S ZINC000035284751 172102551 /nfs/dbraw/zinc/10/25/51/172102551.db2.gz RUPWVOIUGFBUIO-UHFFFAOYSA-N 0 0 278.739 4.481 10 0 CIAERN Cc1ccc(Sc2ccc3cc(N)ccc3n2)cc1 ZINC000035344009 172135814 /nfs/dbraw/zinc/13/58/14/172135814.db2.gz TWPGEOQFFLNROG-UHFFFAOYSA-N 0 0 266.369 4.277 10 0 CIAERN Cc1cc(C(=O)c2ccc(CC(C)C)cc2)c(C)o1 ZINC000035368728 172160159 /nfs/dbraw/zinc/16/01/59/172160159.db2.gz ARJIMILOWBWQSY-UHFFFAOYSA-N 0 0 256.345 4.326 10 0 CIAERN O=C(c1cc2c(s1)CCCCC2)c1ccc(F)cc1 ZINC000035368551 172160589 /nfs/dbraw/zinc/16/05/89/172160589.db2.gz MENFDOCPRIVLLP-UHFFFAOYSA-N 0 0 274.360 4.387 10 0 CIAERN Cc1ccc(C(=O)c2cc3c(s2)CCC3)cc1C ZINC000035369383 172160828 /nfs/dbraw/zinc/16/08/28/172160828.db2.gz HKGZZVFQIWAFCK-UHFFFAOYSA-N 0 0 256.370 4.085 10 0 CIAERN Cc1ccsc1C(=O)c1c(C)[nH]c2ccccc21 ZINC000035369127 172160991 /nfs/dbraw/zinc/16/09/91/172160991.db2.gz XKIUBVOXNKAAMG-UHFFFAOYSA-N 0 0 255.342 4.077 10 0 CIAERN Cc1cc(C(=O)c2c[nH]c3cc(Cl)ccc23)c(C)o1 ZINC000035369736 172161295 /nfs/dbraw/zinc/16/12/95/172161295.db2.gz PAPMLEJPWJMOOX-UHFFFAOYSA-N 0 0 273.719 4.262 10 0 CIAERN CN[C@H](c1cc(F)ccc1F)c1c(F)cccc1Cl ZINC000035468835 172218933 /nfs/dbraw/zinc/21/89/33/172218933.db2.gz RSWVTLAEHWQXOZ-CQSZACIVSA-N 0 0 285.696 4.066 10 0 CIAERN CN[C@@H](c1cccc(Cl)c1)c1c(F)cc(F)cc1F ZINC000035469560 172220941 /nfs/dbraw/zinc/22/09/41/172220941.db2.gz XCIWOMBGRPJHST-AWEZNQCLSA-N 0 0 285.696 4.066 10 0 CIAERN CCN[C@H](c1ccc([C@@H](C)CC)cc1)C(F)(F)F ZINC000035544063 172251410 /nfs/dbraw/zinc/25/14/10/172251410.db2.gz FCUHZIMEPHNWMU-GXFFZTMASA-N 0 0 259.315 4.413 10 0 CIAERN CCCN[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC000035574140 172270292 /nfs/dbraw/zinc/27/02/92/172270292.db2.gz QOTQJEZEKGSYMJ-JTQLQIEISA-N 0 0 296.130 4.052 10 0 CIAERN Clc1ccc(C2=NN[C@@H](c3ccccc3Cl)C2)cc1 ZINC000035576631 172272621 /nfs/dbraw/zinc/27/26/21/172272621.db2.gz GLFMHSZCDPPFAY-OAHLLOKOSA-N 0 0 291.181 4.432 10 0 CIAERN Clc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035576610 172273173 /nfs/dbraw/zinc/27/31/73/172273173.db2.gz WVSCAYFAWNRMNC-AWEZNQCLSA-N 0 0 291.181 4.432 10 0 CIAERN CCNc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000035580108 172275556 /nfs/dbraw/zinc/27/55/56/172275556.db2.gz OWOLRQHZNABZBS-UHFFFAOYSA-N 0 0 283.762 4.382 10 0 CIAERN C[C@@H](O)c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000035626354 172305463 /nfs/dbraw/zinc/30/54/63/172305463.db2.gz NUXDIOLEWMIFRF-SNVBAGLBSA-N 0 0 280.726 4.111 10 0 CIAERN CC(C)=CCOc1c2ccccc2ccc1[C@@H](C)O ZINC000035628066 172306806 /nfs/dbraw/zinc/30/68/06/172306806.db2.gz LTZYKVKOCSPKPQ-CYBMUJFWSA-N 0 0 256.345 4.238 10 0 CIAERN C[C@@H](O)c1ccc2ccccc2c1OC1CCCC1 ZINC000035628028 172306838 /nfs/dbraw/zinc/30/68/38/172306838.db2.gz KUZIWJRFPGIOHC-GFCCVEGCSA-N 0 0 256.345 4.215 10 0 CIAERN O=Cc1c(OC2CCCCC2)ccc2ccccc21 ZINC000035630731 172311919 /nfs/dbraw/zinc/31/19/19/172311919.db2.gz PNHQQKGXEUKIAT-UHFFFAOYSA-N 0 0 254.329 4.364 10 0 CIAERN CCN(c1ccccc1)c1ccc(F)cc1[C@@H](C)O ZINC000035631374 172313446 /nfs/dbraw/zinc/31/34/46/172313446.db2.gz GARCPYACTSGNEM-GFCCVEGCSA-N 0 0 259.324 4.037 10 0 CIAERN CCN(c1cccc(F)c1[C@@H](C)O)C1CCCCC1 ZINC000035631325 172313490 /nfs/dbraw/zinc/31/34/90/172313490.db2.gz KCWURMWABKNGGN-GFCCVEGCSA-N 0 0 265.372 4.038 10 0 CIAERN Cc1ccc(Oc2cccc(F)c2[C@@H](C)O)c(C)c1 ZINC000035632086 172314360 /nfs/dbraw/zinc/31/43/60/172314360.db2.gz QQDDVOROXLNFAN-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN Cc1cccc(Oc2cccc(F)c2[C@@H](C)O)c1C ZINC000035632130 172314517 /nfs/dbraw/zinc/31/45/17/172314517.db2.gz YGZCSXQSBUJLLO-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN C[C@@H](O)c1cc(F)ccc1Oc1ccc2c(c1)CCC2 ZINC000035632455 172315062 /nfs/dbraw/zinc/31/50/62/172315062.db2.gz HGDFFWSPCGXTCE-LLVKDONJSA-N 0 0 272.319 4.160 10 0 CIAERN CCc1ccccc1Oc1ccc(F)cc1[C@H](C)O ZINC000035632583 172315328 /nfs/dbraw/zinc/31/53/28/172315328.db2.gz LIKBDQWDJYCMNS-NSHDSACASA-N 0 0 260.308 4.234 10 0 CIAERN Cc1ccc(Cl)c(Oc2ccccc2[C@H](C)O)c1 ZINC000035650760 172326671 /nfs/dbraw/zinc/32/66/71/172326671.db2.gz CARVVBOURHRTLD-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN Cc1ccc2cccc(Oc3ccccc3[C@H](C)O)c2n1 ZINC000035650756 172326880 /nfs/dbraw/zinc/32/68/80/172326880.db2.gz PYDDAJJKPBKJMF-ZDUSSCGKSA-N 0 0 279.339 4.389 10 0 CIAERN C[C@H](O)c1ccccc1Oc1cccc2c1OC(C)(C)C2 ZINC000035650653 172326952 /nfs/dbraw/zinc/32/69/52/172326952.db2.gz RHQFFSUDVLVWCI-LBPRGKRZSA-N 0 0 284.355 4.246 10 0 CIAERN Cc1cc(Cl)ccc1NC1Cc2ccccc2C1 ZINC000035657967 172332066 /nfs/dbraw/zinc/33/20/66/172332066.db2.gz KDSKNAJVZAPNOS-UHFFFAOYSA-N 0 0 257.764 4.228 10 0 CIAERN CCSc1nc2sc(C)nc2c(-c2ccccc2)n1 ZINC000035682641 172353109 /nfs/dbraw/zinc/35/31/09/172353109.db2.gz LVKDDRCPXHJSCD-UHFFFAOYSA-N 0 0 287.413 4.174 10 0 CIAERN O=c1cc(-c2ccc(Cl)cc2)c2ccccc2o1 ZINC000035682768 172353167 /nfs/dbraw/zinc/35/31/67/172353167.db2.gz WKLWLPILZKWHMA-UHFFFAOYSA-N 0 0 256.688 4.113 10 0 CIAERN C[C@@H](Nc1c(N)cccc1Cl)c1cccs1 ZINC000035736755 172389728 /nfs/dbraw/zinc/38/97/28/172389728.db2.gz MPBCNUDYFGXZSX-MRVPVSSYSA-N 0 0 252.770 4.157 10 0 CIAERN C[C@H](c1cccs1)n1c(=S)[nH]c2ccccc21 ZINC000035737217 172390297 /nfs/dbraw/zinc/39/02/97/172390297.db2.gz IUKCAEAKRXCMJZ-SECBINFHSA-N 0 0 260.387 4.370 10 0 CIAERN COc1cccc2cc([C@@H](C)N[C@@H](C)c3ccco3)oc21 ZINC000035738560 172391651 /nfs/dbraw/zinc/39/16/51/172391651.db2.gz XTTPTQMTUNKRDT-NWDGAFQWSA-N 0 0 285.343 4.446 10 0 CIAERN COc1cccc2cc([C@H](C)N[C@@H](C)c3ccco3)oc21 ZINC000035738558 172391820 /nfs/dbraw/zinc/39/18/20/172391820.db2.gz XTTPTQMTUNKRDT-RYUDHWBXSA-N 0 0 285.343 4.446 10 0 CIAERN Nc1cc(Cl)cnc1Nc1cccc(C(F)(F)F)c1 ZINC000036242666 172539196 /nfs/dbraw/zinc/53/91/96/172539196.db2.gz MQLKBLBQFPGOTL-UHFFFAOYSA-N 0 0 287.672 4.080 10 0 CIAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccncc1 ZINC000036751316 172677555 /nfs/dbraw/zinc/67/75/55/172677555.db2.gz XAEKONLUEVQRKJ-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN CCc1cc(Cl)nc(-c2cccc(Cl)c2)n1 ZINC000036755668 172679610 /nfs/dbraw/zinc/67/96/10/172679610.db2.gz UQVJXVUCDKCIAI-UHFFFAOYSA-N 0 0 253.132 4.013 10 0 CIAERN Fc1ccc(NC2CC(c3cccc(F)c3)C2)cc1 ZINC000036842359 172745551 /nfs/dbraw/zinc/74/55/51/172745551.db2.gz ADECQYGIDTTXGK-UHFFFAOYSA-N 0 0 259.299 4.323 10 0 CIAERN COc1cccc(-n2c(=S)[nH]c3cc(Cl)ccc32)c1 ZINC000036889948 172784694 /nfs/dbraw/zinc/78/46/94/172784694.db2.gz COYSHFLGDGYDFO-UHFFFAOYSA-N 0 0 290.775 4.350 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1ccc2c(c1)OC(C)(C)O2 ZINC000036933789 172814607 /nfs/dbraw/zinc/81/46/07/172814607.db2.gz ZTOGDQOMEFXKKP-WCQYABFASA-N 0 0 261.365 4.185 10 0 CIAERN COC(=O)c1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1C ZINC000036941219 172818192 /nfs/dbraw/zinc/81/81/92/172818192.db2.gz HTHKDKZMPNDFOX-GWCFXTLKSA-N 0 0 281.783 4.117 10 0 CIAERN Cc1cc(N)ccc1Oc1ccc(Br)cc1F ZINC000036950276 172824506 /nfs/dbraw/zinc/82/45/06/172824506.db2.gz NVGQGNQDNAWTAR-UHFFFAOYSA-N 0 0 296.139 4.271 10 0 CIAERN O=C(c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000036961851 172831498 /nfs/dbraw/zinc/83/14/98/172831498.db2.gz LVYVYRQFAQYKFW-UHFFFAOYSA-N 0 0 269.102 4.364 10 0 CIAERN Cc1nc(-c2ccc(N[C@@H](C)CC(C)C)cc2)co1 ZINC000037020500 172883451 /nfs/dbraw/zinc/88/34/51/172883451.db2.gz MLQMIWDSVFAUGN-LBPRGKRZSA-N 0 0 258.365 4.497 10 0 CIAERN CSc1ccc(CSc2sc(N)nc2C)cc1 ZINC000037037014 172904519 /nfs/dbraw/zinc/90/45/19/172904519.db2.gz XQUBVRHWTSRIKY-UHFFFAOYSA-N 0 0 282.459 4.048 10 0 CIAERN COc1cc(C)c(NC2CCCCCC2)cc1OC ZINC000037056765 172924031 /nfs/dbraw/zinc/92/40/31/172924031.db2.gz QSLLOUFNZSKWJR-UHFFFAOYSA-N 0 0 263.381 4.147 10 0 CIAERN CCC[C@@H](C)CNc1ccc(OC)c(OC(F)F)c1 ZINC000037100963 172955009 /nfs/dbraw/zinc/95/50/09/172955009.db2.gz KZQVUHWRPNJKPS-SNVBAGLBSA-N 0 0 273.323 4.145 10 0 CIAERN CN(C)c1c(Cl)cccc1NCCc1ccccc1 ZINC000037127125 172973033 /nfs/dbraw/zinc/97/30/33/172973033.db2.gz NDSKSCDYIOIPKT-UHFFFAOYSA-N 0 0 274.795 4.061 10 0 CIAERN COc1ccc(N[C@H](C)c2ccc(F)cc2Cl)cn1 ZINC000037185619 173016210 /nfs/dbraw/zinc/01/62/10/173016210.db2.gz BZQGPANHADWVOT-SECBINFHSA-N 0 0 280.730 4.056 10 0 CIAERN Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1cccnc1 ZINC000037187245 173017628 /nfs/dbraw/zinc/01/76/28/173017628.db2.gz BRCVGIYPACGTGG-SNVBAGLBSA-N 0 0 275.421 4.317 10 0 CIAERN FC(F)(F)c1ccccc1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037196405 173024528 /nfs/dbraw/zinc/02/45/28/173024528.db2.gz ABHAXBVRSGJHSR-GBIKHYSHSA-N 0 0 253.267 4.082 10 0 CIAERN COc1ccc(F)cc1CSc1c(N)cccc1Cl ZINC000037204156 173026515 /nfs/dbraw/zinc/02/65/15/173026515.db2.gz VOHNJOMFCQNQNY-UHFFFAOYSA-N 0 0 297.782 4.362 10 0 CIAERN Fc1ccc2sc(NCc3ccccc3)nc2c1 ZINC000037206303 173027720 /nfs/dbraw/zinc/02/77/20/173027720.db2.gz HNOUCYBUVGDRNC-UHFFFAOYSA-N 0 0 258.321 4.048 10 0 CIAERN CC(C)c1nn(C)cc1CNc1cccc(Cl)c1Cl ZINC000037243804 173058824 /nfs/dbraw/zinc/05/88/24/173058824.db2.gz VPGANIZNVTUTTP-UHFFFAOYSA-N 0 0 298.217 4.462 10 0 CIAERN Cc1sc2ncnc(N[C@@H]3CCC[C@@H](C)C3)c2c1C ZINC000037251564 173063724 /nfs/dbraw/zinc/06/37/24/173063724.db2.gz JTJLCRKFUCPDTL-BXKDBHETSA-N 0 0 275.421 4.299 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254851 173066339 /nfs/dbraw/zinc/06/63/39/173066339.db2.gz IOARMVVOVAVCNJ-ZJUUUORDSA-N 0 0 272.314 4.278 10 0 CIAERN Nc1ccc(NCC2CCCCC2)cc1C(F)(F)F ZINC000037259710 173069873 /nfs/dbraw/zinc/06/98/73/173069873.db2.gz WDLSGMWZCZXNFY-UHFFFAOYSA-N 0 0 272.314 4.280 10 0 CIAERN Cc1n[nH]c(C)c1N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000037261689 173071943 /nfs/dbraw/zinc/07/19/43/173071943.db2.gz KKJGYFFQVDZTJE-GFCCVEGCSA-N 0 0 293.823 4.329 10 0 CIAERN Cc1cc(N(C)C)ccc1N[C@@H](C)C1CCCCC1 ZINC000037274173 173086503 /nfs/dbraw/zinc/08/65/03/173086503.db2.gz ITXFHWPUSXBACE-AWEZNQCLSA-N 0 0 260.425 4.442 10 0 CIAERN Cc1ncsc1[C@@H](C)Nc1cccc2cnccc21 ZINC000037277755 173088236 /nfs/dbraw/zinc/08/82/36/173088236.db2.gz RXBHPWLXQYNATC-LLVKDONJSA-N 0 0 269.373 4.173 10 0 CIAERN CC[C@H](Nc1ccc(C(=O)OC(C)C)cc1)C(C)C ZINC000037279549 173089323 /nfs/dbraw/zinc/08/93/23/173089323.db2.gz ONPTVXIHPPRVEW-HNNXBMFYSA-N 0 0 263.381 4.098 10 0 CIAERN CCCC[C@@H](C)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000037294863 173099405 /nfs/dbraw/zinc/09/94/05/173099405.db2.gz XNNSAHJQANPYKH-LLVKDONJSA-N 0 0 282.815 4.032 10 0 CIAERN CCOC(=O)c1ccccc1N[C@H](C)CCC(C)C ZINC000037308399 173110852 /nfs/dbraw/zinc/11/08/52/173110852.db2.gz QPMXOJAALMCGGF-CYBMUJFWSA-N 0 0 263.381 4.100 10 0 CIAERN Cc1ncsc1[C@H](C)Nc1ccccc1OC(C)C ZINC000037315658 173116834 /nfs/dbraw/zinc/11/68/34/173116834.db2.gz ISZVIOBYKRNOJU-LBPRGKRZSA-N 0 0 276.405 4.412 10 0 CIAERN CC(C)(C)c1nn(-c2cccc(Cl)c2)c(Cl)c1C=O ZINC000037326882 173127963 /nfs/dbraw/zinc/12/79/63/173127963.db2.gz LBSZHTMGMNFMPY-UHFFFAOYSA-N 0 0 297.185 4.289 10 0 CIAERN CC(=O)CCCCOc1ccc(C(C)(C)C)cc1C ZINC000037330751 173131921 /nfs/dbraw/zinc/13/19/21/173131921.db2.gz BYYLVSXZCIDREI-UHFFFAOYSA-N 0 0 262.393 4.431 10 0 CIAERN Cc1ccc(C(=O)CO[C@H]2CCCC[C@@H]2C)cc1C ZINC000037343697 173143308 /nfs/dbraw/zinc/14/33/08/173143308.db2.gz PYAYEOBHZMZNTE-GUYCJALGSA-N 0 0 260.377 4.081 10 0 CIAERN Cc1ccc(C(=O)CO[C@H]2CCCC[C@H]2C)cc1C ZINC000037343701 173143323 /nfs/dbraw/zinc/14/33/23/173143323.db2.gz PYAYEOBHZMZNTE-DYVFJYSZSA-N 0 0 260.377 4.081 10 0 CIAERN Cc1ccc(-c2noc(N)c2-c2cccc(F)c2)s1 ZINC000037350776 173144679 /nfs/dbraw/zinc/14/46/79/173144679.db2.gz AWMKAYOHPJWAML-UHFFFAOYSA-N 0 0 274.320 4.100 10 0 CIAERN CCOc1ccc(C(=O)c2c(F)cccc2Cl)cc1 ZINC000037358294 173147515 /nfs/dbraw/zinc/14/75/15/173147515.db2.gz GNKCDAJSGUNXND-UHFFFAOYSA-N 0 0 278.710 4.109 10 0 CIAERN Cc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000037359884 173150293 /nfs/dbraw/zinc/15/02/93/173150293.db2.gz TZEIHDAOHGSUQA-UHFFFAOYSA-N 0 0 264.246 4.245 10 0 CIAERN CCc1ccc(C(=O)c2cccc(OC(F)F)c2)s1 ZINC000037360016 173150416 /nfs/dbraw/zinc/15/04/16/173150416.db2.gz GXNLOJPPFIZNSC-UHFFFAOYSA-N 0 0 282.311 4.143 10 0 CIAERN CCc1cccc2c(C(=O)Cc3ccccc3)c[nH]c21 ZINC000037361660 173150772 /nfs/dbraw/zinc/15/07/72/173150772.db2.gz UYDGPXYTHJWUGJ-UHFFFAOYSA-N 0 0 263.340 4.156 10 0 CIAERN CC(C)c1ccc(NCc2ccc3c(c2)CCO3)cc1 ZINC000037362552 173151466 /nfs/dbraw/zinc/15/14/66/173151466.db2.gz GLTYRLZINOYECE-UHFFFAOYSA-N 0 0 267.372 4.357 10 0 CIAERN COc1ccc(C(=O)c2ccc(Cl)cc2F)cc1Cl ZINC000037362702 173151917 /nfs/dbraw/zinc/15/19/17/173151917.db2.gz DSFPCNXIXDSHDP-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN O=C(c1csc2ccccc12)c1ccc(F)cc1F ZINC000037363388 173152544 /nfs/dbraw/zinc/15/25/44/173152544.db2.gz KRGLLRGNINSQFZ-UHFFFAOYSA-N 0 0 274.291 4.411 10 0 CIAERN Nc1cccc(-c2nc(C3CCCCC3)cs2)c1 ZINC000037367564 173156953 /nfs/dbraw/zinc/15/69/53/173156953.db2.gz AUUJTKFZDYOGDM-UHFFFAOYSA-N 0 0 258.390 4.440 10 0 CIAERN O=C(c1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2O1 ZINC000037377459 173166439 /nfs/dbraw/zinc/16/64/39/173166439.db2.gz NKHZOZBPIDDRHH-AWEZNQCLSA-N 0 0 293.149 4.180 10 0 CIAERN COc1cccc(C(=O)c2cc(Cl)sc2Cl)c1 ZINC000037379032 173167381 /nfs/dbraw/zinc/16/73/81/173167381.db2.gz ZYHAUWYULAREHL-UHFFFAOYSA-N 0 0 287.167 4.295 10 0 CIAERN C[C@H](OCc1ccc(Cl)c(N)c1)c1ccccc1 ZINC000037402812 173178988 /nfs/dbraw/zinc/17/89/88/173178988.db2.gz UZTRMMYEMMQQCB-NSHDSACASA-N 0 0 261.752 4.200 10 0 CIAERN Nc1cc(CSc2ccccc2F)ccc1Cl ZINC000037402914 173179631 /nfs/dbraw/zinc/17/96/31/173179631.db2.gz UWXOQHXGIJHJIL-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN Cc1ccc(-n2c3cccc(F)c3[nH]c2=S)cc1C ZINC000037422688 173198298 /nfs/dbraw/zinc/19/82/98/173198298.db2.gz VNCOWTGPFGIBNS-UHFFFAOYSA-N 0 0 272.348 4.444 10 0 CIAERN C[C@H](c1ccccc1)n1c2cccc(F)c2[nH]c1=S ZINC000037422246 173198356 /nfs/dbraw/zinc/19/83/56/173198356.db2.gz LUWKQDHLBSRRHE-SNVBAGLBSA-N 0 0 272.348 4.447 10 0 CIAERN Clc1cc(Cl)cc(CNc2cccc3c[nH]nc32)c1 ZINC000037424457 173199068 /nfs/dbraw/zinc/19/90/68/173199068.db2.gz FZLNREXAPHNUAB-UHFFFAOYSA-N 0 0 292.169 4.482 10 0 CIAERN Cc1ccc2c(c1)nc(-c1ccc(N)cc1)n2C(C)C ZINC000037438527 173208967 /nfs/dbraw/zinc/20/89/67/173208967.db2.gz LXMVCQFBUXBKTQ-UHFFFAOYSA-N 0 0 265.360 4.175 10 0 CIAERN Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1N ZINC000037439653 173209292 /nfs/dbraw/zinc/20/92/92/173209292.db2.gz OERNJSKCHZJZKM-UHFFFAOYSA-N 0 0 283.350 4.314 10 0 CIAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)c1ccc(F)cc1 ZINC000037529011 173252590 /nfs/dbraw/zinc/25/25/90/173252590.db2.gz ZQEKXHUUANBZJL-HOCLYGCPSA-N 0 0 250.357 4.250 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@]1(O)Cc1ccccc1F ZINC000037530062 173252811 /nfs/dbraw/zinc/25/28/11/173252811.db2.gz OEABDGLKGJNBIL-WBVHZDCISA-N 0 0 264.384 4.336 10 0 CIAERN Cc1cccc(C[C@]2(O)C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000037529861 173253081 /nfs/dbraw/zinc/25/30/81/173253081.db2.gz GJGLURWITSHMCM-KBAYOESNSA-N 0 0 260.421 4.361 10 0 CIAERN C[C@](O)(CCc1ccccc1)c1ccccc1Cl ZINC000037531671 173253316 /nfs/dbraw/zinc/25/33/16/173253316.db2.gz DKXHAPYEKCZKJJ-INIZCTEOSA-N 0 0 260.764 4.180 10 0 CIAERN Cc1cccc(C[C@H](O)Cc2ccc(Cl)cc2Cl)c1 ZINC000037532794 173253717 /nfs/dbraw/zinc/25/37/17/173253717.db2.gz YNQRYKHAGOZWEQ-HNNXBMFYSA-N 0 0 295.209 4.448 10 0 CIAERN Cc1ccc(NCc2nc3c(cccc3Cl)[nH]2)cc1 ZINC000037600118 173554054 /nfs/dbraw/zinc/55/40/54/173554054.db2.gz AEUPSSISTWVTNS-UHFFFAOYSA-N 0 0 271.751 4.137 10 0 CIAERN CC(C)CCCOc1ccc(N)cc1C(F)(F)F ZINC000037754702 173678787 /nfs/dbraw/zinc/67/87/87/173678787.db2.gz MMKBLYASMJTVMG-UHFFFAOYSA-N 0 0 261.287 4.103 10 0 CIAERN CCc1cccc(C)c1N[C@@H](C)c1ccc(O)cc1 ZINC000037763762 173690285 /nfs/dbraw/zinc/69/02/85/173690285.db2.gz BXGKWOBYLLFAJG-ZDUSSCGKSA-N 0 0 255.361 4.436 10 0 CIAERN c1cc(NC[C@@H]2CC=CCC2)cc(N2CCCC2)c1 ZINC000037775232 173707357 /nfs/dbraw/zinc/70/73/57/173707357.db2.gz NXYSOBINFBYFFR-OAHLLOKOSA-N 0 0 256.393 4.055 10 0 CIAERN O=Cc1csc(C(c2ccccc2)c2ccccc2)n1 ZINC000037974042 173927826 /nfs/dbraw/zinc/92/78/26/173927826.db2.gz GLEOQQMWCJCRCC-UHFFFAOYSA-N 0 0 279.364 4.136 10 0 CIAERN CCc1c(C)nc2c(F)c(F)c(F)cc2c1Cl ZINC000038004126 173966296 /nfs/dbraw/zinc/96/62/96/173966296.db2.gz IYPKLFWPFFJJFE-UHFFFAOYSA-N 0 0 259.658 4.176 10 0 CIAERN Nc1cc(F)c(Nc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000038039977 174039691 /nfs/dbraw/zinc/03/96/91/174039691.db2.gz OBCXBXMTAWTQQR-UHFFFAOYSA-N 0 0 288.219 4.309 10 0 CIAERN CCCC[C@H](CC)COc1c(F)cc(N)cc1F ZINC000038040358 174040330 /nfs/dbraw/zinc/04/03/30/174040330.db2.gz IBQQZWYCBQAGBO-JTQLQIEISA-N 0 0 257.324 4.142 10 0 CIAERN Nc1cc(F)c(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC000038040245 174040421 /nfs/dbraw/zinc/04/04/21/174040421.db2.gz IXGSCZNLXRFIBX-UHFFFAOYSA-N 0 0 289.203 4.358 10 0 CIAERN Nc1cc(F)c(Nc2ccc(Br)cc2)c(F)c1 ZINC000038040003 174040444 /nfs/dbraw/zinc/04/04/44/174040444.db2.gz WSONHCJBTYNQBA-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Nc1cc(F)c(Nc2cccc(Cl)c2F)c(F)c1 ZINC000038040033 174040564 /nfs/dbraw/zinc/04/05/64/174040564.db2.gz YEPDMSDJWMNGFE-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN COc1ccc(Cl)cc1CNc1ccc(C)c(O)c1C ZINC000038051585 174062844 /nfs/dbraw/zinc/06/28/44/174062844.db2.gz WJWQGZYDEIJAGU-UHFFFAOYSA-N 0 0 291.778 4.283 10 0 CIAERN Cc1ccc([C@H](C)N(C)C(=O)c2ccc(F)cc2)s1 ZINC000038057420 174068361 /nfs/dbraw/zinc/06/83/61/174068361.db2.gz AXOIRTNRIKLYIR-NSHDSACASA-N 0 0 277.364 4.029 10 0 CIAERN Nc1ccccc1-c1ccc(SC(F)F)cc1 ZINC000038069074 174080406 /nfs/dbraw/zinc/08/04/06/174080406.db2.gz 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AIJWOKZETZCYSB-UHFFFAOYSA-N 0 0 250.773 4.397 10 0 CIAERN FC(F)Sc1ccccc1NCc1cscn1 ZINC000040420952 174257821 /nfs/dbraw/zinc/25/78/21/174257821.db2.gz VJIRAYJDTFCCHW-UHFFFAOYSA-N 0 0 272.345 4.070 10 0 CIAERN CCCCCNC(=O)/C=C/c1ccccc1OCCCC ZINC000040942175 174437334 /nfs/dbraw/zinc/43/73/34/174437334.db2.gz FAKOXKSYIFKSHG-OUKQBFOZSA-N 0 0 289.419 4.185 10 0 CIAERN COc1ccc2nccc(Nc3cc(F)cc(F)c3)c2c1 ZINC000041055490 174465055 /nfs/dbraw/zinc/46/50/55/174465055.db2.gz GQGUIYVVJFANHC-UHFFFAOYSA-N 0 0 286.281 4.265 10 0 CIAERN Cc1cc(C)c2nccc(NC(=O)c3ccccc3)c2c1 ZINC000041057066 174465532 /nfs/dbraw/zinc/46/55/32/174465532.db2.gz XPPOSJFIGYMXBF-UHFFFAOYSA-N 0 0 276.339 4.104 10 0 CIAERN Cc1ccc(NCC2CCCC2)cc1Br ZINC000041387142 174542752 /nfs/dbraw/zinc/54/27/52/174542752.db2.gz PDFWIXZYNMKLLT-UHFFFAOYSA-N 0 0 268.198 4.360 10 0 CIAERN Cc1cc(C)c2ncc(Br)c(Cl)c2c1 ZINC000041702408 174608787 /nfs/dbraw/zinc/60/87/87/174608787.db2.gz CYGSMIIOLYBDSY-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN CC1(Nc2ccc(C(F)(F)F)cc2N)CCCC1 ZINC000042176539 174652693 /nfs/dbraw/zinc/65/26/93/174652693.db2.gz BDQYFFWKFIDSKN-UHFFFAOYSA-N 0 0 258.287 4.032 10 0 CIAERN c1csc([C@@H](Nc2ccc3c(c2)OCO3)C2CC2)c1 ZINC000042328696 174686549 /nfs/dbraw/zinc/68/65/49/174686549.db2.gz YSWFOVCGHBDGEO-HNNXBMFYSA-N 0 0 273.357 4.040 10 0 CIAERN CC[C@@H](C)[C@H](C)n1c(=S)[nH]nc1-c1ccccc1 ZINC000042557570 174794417 /nfs/dbraw/zinc/79/44/17/174794417.db2.gz YBNATLPSCKHLEU-MNOVXSKESA-N 0 0 261.394 4.215 10 0 CIAERN CC(C)C[C@@H](C)N(C)c1ccc(C(F)(F)F)cc1N ZINC000042577783 174802416 /nfs/dbraw/zinc/80/24/16/174802416.db2.gz KDQPGJHXCQJXGK-SNVBAGLBSA-N 0 0 274.330 4.158 10 0 CIAERN Cc1ccsc1[C@H](O)c1cccc2ccccc21 ZINC000042731411 174859260 /nfs/dbraw/zinc/85/92/60/174859260.db2.gz ZKVTYJCCVXPUHD-OAHLLOKOSA-N 0 0 254.354 4.291 10 0 CIAERN CC/C(=C\c1ccc(SC(F)(F)F)cc1)[N+](=O)[O-] ZINC000042905830 174907761 /nfs/dbraw/zinc/90/77/61/174907761.db2.gz CILJANXJBWJUFW-VQHVLOKHSA-N 0 0 277.267 4.326 10 0 CIAERN FC(F)(F)SCc1ccc(Br)s1 ZINC000043463467 175052037 /nfs/dbraw/zinc/05/20/37/175052037.db2.gz HUHQENBMRGCFCZ-UHFFFAOYSA-N 0 0 277.130 4.264 10 0 CIAERN Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1 ZINC000043596760 175076595 /nfs/dbraw/zinc/07/65/95/175076595.db2.gz ZORIOODRBDTNCH-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN CC(C)(C)[C@H](O)CCc1ccc(Cl)c(Cl)c1 ZINC000043657568 175085743 /nfs/dbraw/zinc/08/57/43/175085743.db2.gz FYRVSCCDKQYDCP-GFCCVEGCSA-N 0 0 261.192 4.333 10 0 CIAERN Brc1ccc(COCc2cccs2)s1 ZINC000043679991 175090465 /nfs/dbraw/zinc/09/04/65/175090465.db2.gz VFUOUNUAFMXBLY-UHFFFAOYSA-N 0 0 289.219 4.289 10 0 CIAERN Brc1csc(COCc2cccs2)c1 ZINC000043687704 175094805 /nfs/dbraw/zinc/09/48/05/175094805.db2.gz RXNGNVCKBNLLSN-UHFFFAOYSA-N 0 0 289.219 4.289 10 0 CIAERN CCOC(=O)c1ccc2[nH]c3c(cccc3Cl)c2c1 ZINC000043804498 175107684 /nfs/dbraw/zinc/10/76/84/175107684.db2.gz FFZZQDKCIMRPMJ-UHFFFAOYSA-N 0 0 273.719 4.151 10 0 CIAERN Cc1ccccc1-c1csc(Br)c1 ZINC000044120886 175142506 /nfs/dbraw/zinc/14/25/06/175142506.db2.gz BWZQSJMBGDBEQB-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN O=c1c(Cl)c(C=Cc2ccccc2)[nH]c2ccccc12 ZINC000045817479 175384331 /nfs/dbraw/zinc/38/43/31/175384331.db2.gz VSQANURRRRYAFM-ZHACJKMWSA-N 0 0 281.742 4.352 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000048102836 175419897 /nfs/dbraw/zinc/41/98/97/175419897.db2.gz HCNXUICUQCSZIW-LBPRGKRZSA-N 0 0 274.747 4.299 10 0 CIAERN Cc1ccc(C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000048101448 175420116 /nfs/dbraw/zinc/42/01/16/175420116.db2.gz DJAULTVFRHVBPB-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN Cc1cc(O)cc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC000065340590 175710184 /nfs/dbraw/zinc/71/01/84/175710184.db2.gz VEUQFLBLBGWJCQ-UHFFFAOYSA-N 0 0 268.234 4.266 10 0 CIAERN CSc1ccc(OCC(=O)c2ccccc2Cl)cc1 ZINC000070159949 175875766 /nfs/dbraw/zinc/87/57/66/175875766.db2.gz TUXNMNOBNNKIGN-UHFFFAOYSA-N 0 0 292.787 4.324 10 0 CIAERN CCN(c1ccccc1F)c1nnc(Cl)c(C)c1C ZINC000071187032 176060197 /nfs/dbraw/zinc/06/01/97/176060197.db2.gz CECBCLTVRISDIW-UHFFFAOYSA-N 0 0 279.746 4.044 10 0 CIAERN Cc1c(Cl)nnc(Sc2nc3ccccc3o2)c1C ZINC000071187222 176060791 /nfs/dbraw/zinc/06/07/91/176060791.db2.gz UMIJPBMSJKFDRC-UHFFFAOYSA-N 0 0 291.763 4.039 10 0 CIAERN Cc1cc2c(n1[C@@H]1CCC[C@H]1C)CC(C)(C)C[C@@H]2O ZINC000071209359 176081823 /nfs/dbraw/zinc/08/18/23/176081823.db2.gz YOXYLNKPPQXYBI-XFJVYGCCSA-N 0 0 261.409 4.163 10 0 CIAERN CC(=O)c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000071585646 176211497 /nfs/dbraw/zinc/21/14/97/176211497.db2.gz WMYCMBBRKVBMML-UHFFFAOYSA-N 0 0 259.374 4.310 10 0 CIAERN CC(C)(C)CC(=O)c1cc(Br)cs1 ZINC000071587270 176214887 /nfs/dbraw/zinc/21/48/87/176214887.db2.gz VRXAJQNFFJEJSV-UHFFFAOYSA-N 0 0 261.184 4.130 10 0 CIAERN COc1ccc2ccccc2c1-c1cccc(CO)c1 ZINC000071792057 176263267 /nfs/dbraw/zinc/26/32/67/176263267.db2.gz IQFBDWXVJJPBFA-UHFFFAOYSA-N 0 0 264.324 4.008 10 0 CIAERN Brc1ccc(-n2nccc2-c2ccccc2)cc1 ZINC000072190463 176335783 /nfs/dbraw/zinc/33/57/83/176335783.db2.gz SZBAMIUHSDLVMP-UHFFFAOYSA-N 0 0 299.171 4.302 10 0 CIAERN COc1cccc(-c2ccsc2Br)c1 ZINC000072191891 176336370 /nfs/dbraw/zinc/33/63/70/176336370.db2.gz QHEOOJYZLYRHMM-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN Brc1nc(-c2cccs2)nc2ccccc12 ZINC000072192239 176336745 /nfs/dbraw/zinc/33/67/45/176336745.db2.gz SXOIICKPYXEJCK-UHFFFAOYSA-N 0 0 291.173 4.121 10 0 CIAERN Brc1ccc(NCCCc2ccco2)cc1 ZINC000076276422 176968345 /nfs/dbraw/zinc/96/83/45/176968345.db2.gz GMDCYWRSFZAVBI-UHFFFAOYSA-N 0 0 280.165 4.087 10 0 CIAERN Brc1cnc(NC2CCCCCC2)s1 ZINC000076436978 177024877 /nfs/dbraw/zinc/02/48/77/177024877.db2.gz GVDSLUFUQBKAFI-UHFFFAOYSA-N 0 0 275.215 4.040 10 0 CIAERN CC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc12 ZINC000077254000 177243464 /nfs/dbraw/zinc/24/34/64/177243464.db2.gz OHWFOXSHDZJTRY-UHFFFAOYSA-N 0 0 267.303 4.031 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)Nc1ccc(F)c(C)c1 ZINC000078402815 177338020 /nfs/dbraw/zinc/33/80/20/177338020.db2.gz MIGKLTQVKUYASN-ZDUSSCGKSA-N 0 0 286.350 4.325 10 0 CIAERN Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccccc3)no2)cc1F ZINC000171777717 335079161 /nfs/dbraw/zinc/07/91/61/335079161.db2.gz YZWDJKCMMQDRSQ-OLZOCXBDSA-N 0 0 298.292 4.286 10 0 CIAERN Fc1ccc([C@@H]2C[C@H]2c2nc(C3CCCC3)no2)cc1F ZINC000171793949 335080395 /nfs/dbraw/zinc/08/03/95/335080395.db2.gz YRYPMHIFSKTVIQ-NWDGAFQWSA-N 0 0 290.313 4.277 10 0 CIAERN O=C1COc2c(NC3CCCCCC3)cc(Cl)cc2N1 ZINC000329364326 227471614 /nfs/dbraw/zinc/47/16/14/227471614.db2.gz JNGSZZZXHHWTGE-UHFFFAOYSA-N 0 0 294.782 4.455 10 0 CIAERN C[C@H](Nc1cncc(Cl)n1)c1ccc(F)cc1Cl ZINC000301281403 227497666 /nfs/dbraw/zinc/49/76/66/227497666.db2.gz OLOAFUXJVASDMT-ZETCQYMHSA-N 0 0 286.137 4.096 10 0 CIAERN C[C@H](Nc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000301785289 227678229 /nfs/dbraw/zinc/67/82/29/227678229.db2.gz UXKOBMMRRDFIAN-LURJTMIESA-N 0 0 252.305 4.008 10 0 CIAERN C[C@H]1OCC[C@@H]1Nc1nc(-c2ccccc2Cl)cs1 ZINC000302120568 227794677 /nfs/dbraw/zinc/79/46/77/227794677.db2.gz DHYZDPVPLNNGSC-SKDRFNHKSA-N 0 0 294.807 4.053 10 0 CIAERN C[C@@H]1C[C@H](C(=O)N(C)c2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180339685 260098600 /nfs/dbraw/zinc/09/86/00/260098600.db2.gz AYONEBMKJDYCPG-NEPJUHHUSA-N 0 0 294.826 4.160 10 0 CIAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2C)o1 ZINC000220914975 260141358 /nfs/dbraw/zinc/14/13/58/260141358.db2.gz JOZVDUVAELYBCA-UONOGXRCSA-N 0 0 258.365 4.012 10 0 CIAERN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000220928274 260141976 /nfs/dbraw/zinc/14/19/76/260141976.db2.gz JAIPAKHUBMFZAP-KBPBESRZSA-N 0 0 258.365 4.012 10 0 CIAERN Cc1nn(C)cc1[C@H](C)Nc1cccc2ccccc21 ZINC000087406396 260143351 /nfs/dbraw/zinc/14/33/51/260143351.db2.gz XFXTYAMIHLHMRI-LBPRGKRZSA-N 0 0 265.360 4.055 10 0 CIAERN Cc1nn(C)cc1[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000087406536 260144244 /nfs/dbraw/zinc/14/42/44/260144244.db2.gz PSFBOLLAQYXEQV-QMMMGPOBSA-N 0 0 284.190 4.208 10 0 CIAERN CCc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1 ZINC000070283637 260156034 /nfs/dbraw/zinc/15/60/34/260156034.db2.gz SAAMLHJYKSYJRH-JTQLQIEISA-N 0 0 295.308 4.231 10 0 CIAERN CC[C@H](Nc1nc(C(F)(F)F)cs1)C(C)C ZINC000309496026 260171203 /nfs/dbraw/zinc/17/12/03/260171203.db2.gz YJYQODZONIWIKC-ZETCQYMHSA-N 0 0 252.305 4.008 10 0 CIAERN CCCOc1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265749 260179328 /nfs/dbraw/zinc/17/93/28/260179328.db2.gz LUSXYWZXBUUFNB-CHWSQXEVSA-N 0 0 290.432 4.344 10 0 CIAERN Oc1ccc(CNCc2cc(Cl)sc2Cl)cc1 ZINC000312611214 260182235 /nfs/dbraw/zinc/18/22/35/260182235.db2.gz JCGDHTZPSTVHEO-UHFFFAOYSA-N 0 0 288.199 4.050 10 0 CIAERN FC(F)C(F)(F)CNCc1cc(Cl)sc1Cl ZINC000312616952 260183470 /nfs/dbraw/zinc/18/34/70/260183470.db2.gz FHSOLMJIOQYZCN-UHFFFAOYSA-N 0 0 296.116 4.045 10 0 CIAERN CC1CCC(CNc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000089575613 260188656 /nfs/dbraw/zinc/18/86/56/260188656.db2.gz KHEMGYHGUABNJW-UHFFFAOYSA-N 0 0 286.419 4.273 10 0 CIAERN CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086962566 260210973 /nfs/dbraw/zinc/21/09/73/260210973.db2.gz XNFBUFDUZUAYOU-FYRZTWFESA-N 0 0 295.467 4.214 10 0 CIAERN Cc1ccc([C@H](C)Nc2nc(C3CC3)ns2)cc1F ZINC000088521376 260233349 /nfs/dbraw/zinc/23/33/49/260233349.db2.gz VZLAKZJHRPCTRN-VIFPVBQESA-N 0 0 277.368 4.036 10 0 CIAERN FC(F)(F)c1ccnc(N[C@H]2CCOc3ccccc32)c1 ZINC000090803342 260262377 /nfs/dbraw/zinc/26/23/77/260262377.db2.gz XLORPCMVQZBOOG-LBPRGKRZSA-N 0 0 294.276 4.036 10 0 CIAERN CC(=O)Nc1ccccc1CNc1ccccc1C(C)C ZINC000090961006 260264138 /nfs/dbraw/zinc/26/41/38/260264138.db2.gz MPFIKAHMMUVHLI-UHFFFAOYSA-N 0 0 282.387 4.381 10 0 CIAERN C[C@H](N[C@@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963158 260264239 /nfs/dbraw/zinc/26/42/39/260264239.db2.gz ODIVLEYMISFHEQ-XHDPSFHLSA-N 0 0 289.325 4.139 10 0 CIAERN CC(C)N(C)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000086340285 260389912 /nfs/dbraw/zinc/38/99/12/260389912.db2.gz GYKLZKASCCUQTA-VIFPVBQESA-N 0 0 289.206 4.104 10 0 CIAERN CC(C)N(C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000086368945 260390469 /nfs/dbraw/zinc/39/04/69/260390469.db2.gz CBRATAYWJKXCTM-ZDUSSCGKSA-N 0 0 276.424 4.095 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)Nc1c(C)cccc1F ZINC000182786537 260530282 /nfs/dbraw/zinc/53/02/82/260530282.db2.gz NUMMLJCHFKCDAM-ZDUSSCGKSA-N 0 0 286.350 4.325 10 0 CIAERN CCOc1ccccc1[C@@H](C)NCc1nc(C)c(C)s1 ZINC000153946490 261085730 /nfs/dbraw/zinc/08/57/30/261085730.db2.gz KSXMTXITJSXMDE-GFCCVEGCSA-N 0 0 290.432 4.009 10 0 CIAERN Cc1ccc([C@@H](C)N[C@H](C)c2cccnc2Cl)o1 ZINC000158122558 261158973 /nfs/dbraw/zinc/15/89/73/261158973.db2.gz GFCKXIFFOXTBDW-GHMZBOCLSA-N 0 0 264.756 4.048 10 0 CIAERN CCn1ccnc1CS[C@@H](C)c1cc(F)ccc1F ZINC000175291913 261217044 /nfs/dbraw/zinc/21/70/44/261217044.db2.gz DTEHYANLDQSNHC-JTQLQIEISA-N 0 0 282.359 4.176 10 0 CIAERN CCn1ccnc1CS[C@@H](C)c1ccc(F)cc1F ZINC000175292674 261217287 /nfs/dbraw/zinc/21/72/87/261217287.db2.gz QQSWMWKMALRRPV-JTQLQIEISA-N 0 0 282.359 4.176 10 0 CIAERN CC[C@@H](NC(=O)c1cc(C)ccc1F)c1ccccc1 ZINC000053009964 261259122 /nfs/dbraw/zinc/25/91/22/261259122.db2.gz KFYXNXVFGKAFBB-MRXNPFEDSA-N 0 0 271.335 4.015 10 0 CIAERN Cc1ccc(Cl)cc1N[C@@H](C)c1cncs1 ZINC000162799004 261294874 /nfs/dbraw/zinc/29/48/74/261294874.db2.gz KNSBQVIVQPWHLF-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN C[C@@H](CNc1ccncc1Cl)c1ccsc1 ZINC000301595949 261337431 /nfs/dbraw/zinc/33/74/31/261337431.db2.gz ZEFJRLBOHAXJIE-VIFPVBQESA-N 0 0 252.770 4.012 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1ccc(OC(F)F)cn1 ZINC000301796604 261341098 /nfs/dbraw/zinc/34/10/98/261341098.db2.gz ALEYKWMDJBPRTP-NSHDSACASA-N 0 0 278.302 4.165 10 0 CIAERN Cc1cnc(N[C@@H](C)c2ccccc2Br)s1 ZINC000302096354 261348002 /nfs/dbraw/zinc/34/80/02/261348002.db2.gz JHKDBVBRNWCBQD-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN Cc1cc(C)n(-c2cccc(N[C@H](C)c3nccs3)c2)n1 ZINC000182874228 261954352 /nfs/dbraw/zinc/95/43/52/261954352.db2.gz LWUKVUZOBOMLLA-CYBMUJFWSA-N 0 0 298.415 4.119 10 0 CIAERN C[C@@H]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000185965158 262073360 /nfs/dbraw/zinc/07/33/60/262073360.db2.gz XNUWRBBFXZBRAA-HZSPNIEDSA-N 0 0 292.448 4.023 10 0 CIAERN C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCc2c1cccc2F ZINC000390525622 262208185 /nfs/dbraw/zinc/20/81/85/262208185.db2.gz IUZDMVAVHIFBHE-LIRRHRJNSA-N 0 0 299.389 4.008 10 0 CIAERN CCC1(C(=O)N[C@H](C)c2ccc(Cl)s2)CCC1 ZINC000093049786 262213821 /nfs/dbraw/zinc/21/38/21/262213821.db2.gz ASPQSLFAAUKSRV-SECBINFHSA-N 0 0 271.813 4.159 10 0 CIAERN Cc1cccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c1F ZINC000093050739 262214811 /nfs/dbraw/zinc/21/48/11/262214811.db2.gz FVEWNNAJFVIQPO-SECBINFHSA-N 0 0 297.782 4.340 10 0 CIAERN CC[C@@H](Nc1ccc(Cl)cn1)c1cccs1 ZINC000049531283 263892962 /nfs/dbraw/zinc/89/29/62/263892962.db2.gz FTSPJIXFJXONNQ-SNVBAGLBSA-N 0 0 252.770 4.360 10 0 CIAERN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(F)cc1 ZINC000127057945 264246893 /nfs/dbraw/zinc/24/68/93/264246893.db2.gz PQKWBVQFZLSRRE-CYBMUJFWSA-N 0 0 297.377 4.046 10 0 CIAERN CCn1c2ccccc2nc1[C@H](C)NCc1ccc(F)cc1 ZINC000127058116 264247211 /nfs/dbraw/zinc/24/72/11/264247211.db2.gz PQKWBVQFZLSRRE-ZDUSSCGKSA-N 0 0 297.377 4.046 10 0 CIAERN Cc1nc([C@@H]2CCCN2C/C=C/c2ccccc2)cs1 ZINC000189810842 264327461 /nfs/dbraw/zinc/32/74/61/264327461.db2.gz NVQNFYVPIBFZHQ-MPNRVQBSSA-N 0 0 284.428 4.302 10 0 CIAERN Clc1cc(N[C@@H]2CCCc3ccccc32)ccn1 ZINC000129655254 264329765 /nfs/dbraw/zinc/32/97/65/264329765.db2.gz VEIHXTSRISGRIE-CQSZACIVSA-N 0 0 258.752 4.225 10 0 CIAERN Cc1cc([C@H](C)Nc2ccnc(Cl)c2)c(C)o1 ZINC000129663442 264330516 /nfs/dbraw/zinc/33/05/16/264330516.db2.gz LZFAULHFQCSVLE-VIFPVBQESA-N 0 0 250.729 4.118 10 0 CIAERN CCOc1ccccc1[C@H](C)Nc1cc(OC)ccc1F ZINC000094854074 265263649 /nfs/dbraw/zinc/26/36/49/265263649.db2.gz QUUGPFVKJNNJNU-LBPRGKRZSA-N 0 0 289.350 4.406 10 0 CIAERN Cc1ccc([C@H](C)Nc2ncnc3ccsc32)cc1F ZINC000094957786 265279003 /nfs/dbraw/zinc/27/90/03/265279003.db2.gz KKOYZPVDDNPXIO-JTQLQIEISA-N 0 0 287.363 4.312 10 0 CIAERN O=C(c1coc2ccccc12)N1CCC[C@H]1c1ccco1 ZINC000116046907 267120966 /nfs/dbraw/zinc/12/09/66/267120966.db2.gz FAZLNLHOGKMVQM-AWEZNQCLSA-N 0 0 281.311 4.003 10 0 CIAERN O=C(c1cc(Cl)ccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116045002 267121098 /nfs/dbraw/zinc/12/10/98/267121098.db2.gz ONMHRVSAWRORBA-CYBMUJFWSA-N 0 0 293.725 4.049 10 0 CIAERN C[C@@H](CC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116049259 267121163 /nfs/dbraw/zinc/12/11/63/267121163.db2.gz ZCCBFONIOQUYIY-HOCLYGCPSA-N 0 0 283.371 4.137 10 0 CIAERN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)c(C)c1 ZINC000116474009 267153162 /nfs/dbraw/zinc/15/31/62/267153162.db2.gz IADWXSDBYJWVMX-HNNXBMFYSA-N 0 0 284.359 4.265 10 0 CIAERN Cc1cc(NC(=O)N2CCC[C@@H]2c2ccco2)ccc1F ZINC000116498402 267153655 /nfs/dbraw/zinc/15/36/55/267153655.db2.gz LGORTFUOXOPHFI-CQSZACIVSA-N 0 0 288.322 4.096 10 0 CIAERN Clc1cccc(Cl)c1OCc1ccccc1 ZINC000575154736 327654001 /nfs/dbraw/zinc/65/40/01/327654001.db2.gz HRLQSTNYRFTJND-UHFFFAOYSA-N 0 0 252.120 4.228 10 0 CIAERN Cc1cc(Br)ccc1N[C@@H](C)c1cncs1 ZINC000163071043 327706014 /nfs/dbraw/zinc/70/60/14/327706014.db2.gz BAPAWVWZVIEABO-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN C[C@H](NC(=O)CCCSC(C)(C)C)c1cccs1 ZINC000179065210 327798420 /nfs/dbraw/zinc/79/84/20/327798420.db2.gz GKXRVBFIVNKGRQ-NSHDSACASA-N 0 0 285.478 4.237 10 0 CIAERN C[C@@H]1C[C@@H](NCC(F)(F)F)C[C@@H](c2ccccc2)C1 ZINC000388536957 327885622 /nfs/dbraw/zinc/88/56/22/327885622.db2.gz PTXXIYSHZFHBLQ-FPMFFAJLSA-N 0 0 271.326 4.111 10 0 CIAERN CC(C)c1ccc([C@@H](C)NC(=O)CCc2ccccn2)cc1 ZINC000062865111 327896137 /nfs/dbraw/zinc/89/61/37/327896137.db2.gz DTDNURPMCCOCAQ-OAHLLOKOSA-N 0 0 296.414 4.015 10 0 CIAERN Cc1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1F ZINC000063060406 327919072 /nfs/dbraw/zinc/91/90/72/327919072.db2.gz OSARGSAJMYJFPI-NSHDSACASA-N 0 0 291.753 4.279 10 0 CIAERN CCCN(CCC)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000093155702 328215030 /nfs/dbraw/zinc/21/50/30/328215030.db2.gz CTSPOXPCGHZOSW-SNVBAGLBSA-N 0 0 288.844 4.294 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1cc(C(C)C)ncn1 ZINC000049526237 328367639 /nfs/dbraw/zinc/36/76/39/328367639.db2.gz CSKWZXLXFGRGHE-ZDUSSCGKSA-N 0 0 255.365 4.082 10 0 CIAERN CC[C@H](C)c1noc(-c2cc3ccccc3cc2O)n1 ZINC000111686657 328374577 /nfs/dbraw/zinc/37/45/77/328374577.db2.gz ZCEUYOGBFHNAEC-JTQLQIEISA-N 0 0 268.316 4.109 10 0 CIAERN CC[C@H](Nc1ncnc2ccsc21)c1ccccc1 ZINC000050197614 328391243 /nfs/dbraw/zinc/39/12/43/328391243.db2.gz RYEQODUAEOTBHE-LBPRGKRZSA-N 0 0 269.373 4.255 10 0 CIAERN CC[C@H](Nc1cnc2ccccc2n1)c1ccccc1 ZINC000050197699 328391279 /nfs/dbraw/zinc/39/12/79/328391279.db2.gz WXNXRZGMBOUOFQ-AWEZNQCLSA-N 0 0 263.344 4.193 10 0 CIAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccs1 ZINC000070250757 328534941 /nfs/dbraw/zinc/53/49/41/328534941.db2.gz ZVGISXDYGMMNKW-SNVBAGLBSA-N 0 0 279.792 4.235 10 0 CIAERN O=C(C/C=C\c1cccc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000255145372 326950822 /nfs/dbraw/zinc/95/08/22/326950822.db2.gz DLEWLQMEJQQSTN-SKKUGFDVSA-N 0 0 299.345 4.186 10 0 CIAERN Cc1ccc([C@H](C)NCc2ncccc2Cl)cc1F ZINC000528441120 327001825 /nfs/dbraw/zinc/00/18/25/327001825.db2.gz WRVPROXPHLOMSH-NSHDSACASA-N 0 0 278.758 4.033 10 0 CIAERN CC[C@@H](Nc1cn(C)nc1C(C)C)c1ccsc1 ZINC000394258352 327087968 /nfs/dbraw/zinc/08/79/68/327087968.db2.gz JEFDFZJFHSBRCN-GFCCVEGCSA-N 0 0 263.410 4.168 10 0 CIAERN CCCn1ccc(CNc2ccccc2OC(F)(F)F)c1 ZINC000091009185 327165110 /nfs/dbraw/zinc/16/51/10/327165110.db2.gz DSIBKNXYKXMKRN-UHFFFAOYSA-N 0 0 298.308 4.409 10 0 CIAERN CCCn1ccc(CNc2ccc(F)cc2OCC)c1 ZINC000091011581 327165305 /nfs/dbraw/zinc/16/53/05/327165305.db2.gz GZOWBEFGNCSYAL-UHFFFAOYSA-N 0 0 276.355 4.048 10 0 CIAERN CCCn1ccc(CNc2ccc(C)c(OC)c2C)c1 ZINC000091011805 327165365 /nfs/dbraw/zinc/16/53/65/327165365.db2.gz HYJJBNIELXMJEI-UHFFFAOYSA-N 0 0 272.392 4.136 10 0 CIAERN CC(C)N(C(=O)N[C@H](C)c1ccc(Cl)s1)C1CC1 ZINC000091229692 327167150 /nfs/dbraw/zinc/16/71/50/327167150.db2.gz NRWTYGXROBXJGZ-SECBINFHSA-N 0 0 286.828 4.045 10 0 CIAERN C[C@H](Nc1cnc2ccccc2n1)c1ccc(Cl)cc1 ZINC000052076624 328638412 /nfs/dbraw/zinc/63/84/12/328638412.db2.gz QVJIEVRMJJDHNO-NSHDSACASA-N 0 0 283.762 4.456 10 0 CIAERN c1ccc2c(c1)CC[C@@H]2Nc1ccc2ncccc2c1 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293.750 4.202 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)C(CC)CC)o1 ZINC000193089097 333242512 /nfs/dbraw/zinc/24/25/12/333242512.db2.gz OVXDGFASHXKDIP-OAHLLOKOSA-N 0 0 277.408 4.332 10 0 CIAERN Cc1ccc([C@H](C)NCc2ncc(-c3ccccc3)o2)o1 ZINC000193643354 333254525 /nfs/dbraw/zinc/25/45/25/333254525.db2.gz BRSFTEBAOYWFBL-ZDUSSCGKSA-N 0 0 282.343 4.094 10 0 CIAERN Cc1cnc([C@H](C)NCc2c(Cl)oc3ccccc32)o1 ZINC000227556070 333285454 /nfs/dbraw/zinc/28/54/54/333285454.db2.gz DSOLFLHNXPBQBJ-JTQLQIEISA-N 0 0 290.750 4.233 10 0 CIAERN Cc1cnc([C@@H](C)NCc2c(Cl)oc3ccccc32)o1 ZINC000227556063 333285494 /nfs/dbraw/zinc/28/54/94/333285494.db2.gz DSOLFLHNXPBQBJ-SNVBAGLBSA-N 0 0 290.750 4.233 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000228776577 333296894 /nfs/dbraw/zinc/29/68/94/333296894.db2.gz DGEHPFVVFXVGQN-MRVPVSSYSA-N 0 0 287.310 4.038 10 0 CIAERN CCS[C@H]1CC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000230922823 333322749 /nfs/dbraw/zinc/32/27/49/333322749.db2.gz FQYLZVUKKUCLBH-ZJUUUORDSA-N 0 0 290.354 4.187 10 0 CIAERN CCCn1ccc(CNc2cc(F)cc(Cl)c2)c1 ZINC000233452901 333352639 /nfs/dbraw/zinc/35/26/39/333352639.db2.gz MJQLWEFJYAHELB-UHFFFAOYSA-N 0 0 266.747 4.303 10 0 CIAERN C[C@@H]1C[C@H](Nc2cccc(C(=O)N(C)C)c2)CC(C)(C)C1 ZINC000037084471 333476982 /nfs/dbraw/zinc/47/69/82/333476982.db2.gz RUPSFLMYQUBYJT-CJNGLKHVSA-N 0 0 288.435 4.015 10 0 CIAERN Cc1nc([C@@H](C)N[C@H](C)c2cc(C)ccc2C)cs1 ZINC000037103520 333482139 /nfs/dbraw/zinc/48/21/39/333482139.db2.gz PLQLXDCAGYXRGP-CHWSQXEVSA-N 0 0 274.433 4.480 10 0 CIAERN COc1ccc([C@H](C)Nc2ccccc2C)c(F)c1 ZINC000037216392 333515806 /nfs/dbraw/zinc/51/58/06/333515806.db2.gz UMRLPLVDLRWWGV-LBPRGKRZSA-N 0 0 259.324 4.316 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccccc2C)c(F)c1 ZINC000037216393 333515851 /nfs/dbraw/zinc/51/58/51/333515851.db2.gz UMRLPLVDLRWWGV-GFCCVEGCSA-N 0 0 259.324 4.316 10 0 CIAERN Cc1ccccc1N[C@@H](C)c1ccc(Br)cn1 ZINC000576048506 335145708 /nfs/dbraw/zinc/14/57/08/335145708.db2.gz HNCWEQQZPSSFFS-NSHDSACASA-N 0 0 291.192 4.326 10 0 CIAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nccs2)cc1 ZINC000126774534 333606513 /nfs/dbraw/zinc/60/65/13/333606513.db2.gz KEVNTSWGBUGUJQ-KBPBESRZSA-N 0 0 286.400 4.009 10 0 CIAERN Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000127607596 333632880 /nfs/dbraw/zinc/63/28/80/333632880.db2.gz WEAKZTPTYMOOHJ-DLBZAZTESA-N 0 0 294.398 4.256 10 0 CIAERN Cc1ccccc1[C@@H](C)NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000073414368 333972375 /nfs/dbraw/zinc/97/23/75/333972375.db2.gz BDLGTAWNWRONIK-ZIAGYGMSSA-N 0 0 286.419 4.029 10 0 CIAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](CC)SC)o1 ZINC000132567881 333985167 /nfs/dbraw/zinc/98/51/67/333985167.db2.gz UCMOLUMGSIZPMA-UKRRQHHQSA-N 0 0 295.448 4.037 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C2(Cc3ccccc3)CCC2)o1 ZINC000134539199 334094539 /nfs/dbraw/zinc/09/45/39/334094539.db2.gz VMMUGZHSZMMWST-HNNXBMFYSA-N 0 0 297.398 4.178 10 0 CIAERN CCc1cnc([C@@H](C)Nc2nc3ccccc3nc2C)s1 ZINC000134927396 334108623 /nfs/dbraw/zinc/10/86/23/334108623.db2.gz ODFGJWUMSROHPW-LLVKDONJSA-N 0 0 298.415 4.130 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2C)cc1F ZINC000135337608 334126587 /nfs/dbraw/zinc/12/65/87/334126587.db2.gz WPYAYGDZQNWNOH-LBPRGKRZSA-N 0 0 289.325 4.073 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1nc2ccccc2n1C ZINC000079045954 334146308 /nfs/dbraw/zinc/14/63/08/334146308.db2.gz CHTUBSLANMDSNV-CYBMUJFWSA-N 0 0 265.360 4.055 10 0 CIAERN CC[C@@H]1CC[C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000080427879 334171315 /nfs/dbraw/zinc/17/13/15/334171315.db2.gz COYWFBWHWBGOME-MLGOLLRUSA-N 0 0 272.392 4.026 10 0 CIAERN CC[C@@H]1CC[C@H](Nc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000080432727 334171448 /nfs/dbraw/zinc/17/14/48/334171448.db2.gz IHSBFQHRHIZVSA-CJNGLKHVSA-N 0 0 274.408 4.272 10 0 CIAERN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000245507162 334198601 /nfs/dbraw/zinc/19/86/01/334198601.db2.gz POCSYXBGNKIHBZ-WZRBSPASSA-N 0 0 287.325 4.177 10 0 CIAERN CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000245510640 334198917 /nfs/dbraw/zinc/19/89/17/334198917.db2.gz LPENDIAXRRZGFJ-BZUAXINKSA-N 0 0 289.419 4.406 10 0 CIAERN CC(C)[C@@H](C)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000245786775 334219388 /nfs/dbraw/zinc/21/93/88/334219388.db2.gz WDOSKSWNJZROQC-ZACQAIPSSA-N 0 0 297.483 4.303 10 0 CIAERN C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)c1cccs1 ZINC000246312111 334250330 /nfs/dbraw/zinc/25/03/30/334250330.db2.gz DVXOJXOUWWZXDX-ZOBORPQBSA-N 0 0 292.448 4.172 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)Cc2ccc(CC(C)C)cc2)o1 ZINC000247884627 334291264 /nfs/dbraw/zinc/29/12/64/334291264.db2.gz CUOQEOBMFAWETG-HNNXBMFYSA-N 0 0 299.414 4.206 10 0 CIAERN CC[C@H](C)[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000248532083 334304968 /nfs/dbraw/zinc/30/49/68/334304968.db2.gz FKDPIYDGZLERHQ-QEJZJMRPSA-N 0 0 277.408 4.324 10 0 CIAERN C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000248917051 334321841 /nfs/dbraw/zinc/32/18/41/334321841.db2.gz DGYNKBYFUJBESN-NDBYEHHHSA-N 0 0 291.357 4.050 10 0 CIAERN CCCOc1cc(C)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000249783554 334340373 /nfs/dbraw/zinc/34/03/73/334340373.db2.gz ITECTQWLGWZZSW-IAOVAPTHSA-N 0 0 289.419 4.009 10 0 CIAERN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000251760248 334369132 /nfs/dbraw/zinc/36/91/32/334369132.db2.gz DOUZBSSHPDWDPP-DDFAGTSDSA-N 0 0 273.298 4.073 10 0 CIAERN CCC[C@H](C)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000252733975 334388087 /nfs/dbraw/zinc/38/80/87/334388087.db2.gz XQVLCXWXBNYVMS-STQMWFEESA-N 0 0 252.427 4.106 10 0 CIAERN C[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccco2)c2ccccc21 ZINC000153208473 334570520 /nfs/dbraw/zinc/57/05/20/334570520.db2.gz FSNBDUIBOVENPI-SUMWQHHRSA-N 0 0 298.386 4.060 10 0 CIAERN Cc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1Cl ZINC000179096354 335473199 /nfs/dbraw/zinc/47/31/99/335473199.db2.gz BEESBHJIHFUOHH-ZDUSSCGKSA-N 0 0 289.762 4.219 10 0 CIAERN C[C@H](Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccncc1 ZINC000183032237 335857379 /nfs/dbraw/zinc/85/73/79/335857379.db2.gz FBACPATWUBSGDA-LBPRGKRZSA-N 0 0 298.777 4.094 10 0 CIAERN CC(C)c1nnc(CSCc2ccc(Cl)cc2)n1C ZINC000194656960 336036250 /nfs/dbraw/zinc/03/62/50/336036250.db2.gz OLKDCZQUHUUZIR-UHFFFAOYSA-N 0 0 295.839 4.025 10 0 CIAERN CC(C)c1nnc(CS[C@@H](C)c2ccccc2F)n1C ZINC000194700857 336037515 /nfs/dbraw/zinc/03/75/15/336037515.db2.gz AWFFCOIWABZAAR-NSHDSACASA-N 0 0 293.411 4.072 10 0 CIAERN CC(C)c1nn(C)cc1N[C@H](c1ccccc1)C(C)C ZINC000383490142 336110538 /nfs/dbraw/zinc/11/05/38/336110538.db2.gz WQZKHHZCDKNJQY-INIZCTEOSA-N 0 0 271.408 4.353 10 0 CIAERN CC1(C)[C@H](Nc2cccc3ccsc32)[C@@H]2CCO[C@@H]21 ZINC000386308209 336170630 /nfs/dbraw/zinc/17/06/30/336170630.db2.gz AQWGXYLKENSDID-GLQYFDAESA-N 0 0 273.401 4.127 10 0 CIAERN CCCNc1ccc(Cl)cc1C(=O)N[C@@H](C)CCC ZINC000050719192 520163795 /nfs/dbraw/zinc/16/37/95/520163795.db2.gz RIYNZZFEKPTCOD-NSHDSACASA-N 0 0 282.815 4.080 10 0 CIAERN CCN[C@H](c1ccccn1)c1cccc(Cl)c1Cl ZINC000055222937 520211971 /nfs/dbraw/zinc/21/19/71/520211971.db2.gz WQFYVYLMKVQFRE-AWEZNQCLSA-N 0 0 281.186 4.087 10 0 CIAERN CCC[C@H](Nc1cccc(F)n1)c1cccs1 ZINC000049549092 521179781 /nfs/dbraw/zinc/17/97/81/521179781.db2.gz WICXJVVZKGSOAE-JTQLQIEISA-N 0 0 250.342 4.236 10 0 CIAERN Cc1cc2c(ncnc2N[C@H](C)c2cccs2)s1 ZINC000301896371 534074239 /nfs/dbraw/zinc/07/42/39/534074239.db2.gz ZHPASILGOLXTJY-SECBINFHSA-N 0 0 275.402 4.234 10 0 CIAERN Nc1ccc(SCc2c(F)cccc2Cl)cc1 ZINC000019787584 518197862 /nfs/dbraw/zinc/19/78/62/518197862.db2.gz GPPGKIYASZFRAU-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN CC(=O)c1c(F)cccc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000055387512 518239620 /nfs/dbraw/zinc/23/96/20/518239620.db2.gz ALQBOIIBZGDVOQ-SMDDNHRTSA-N 0 0 263.356 4.043 10 0 CIAERN CC(=O)c1ccc(N2CCc3sccc3[C@H]2C)cc1 ZINC000050682598 518353835 /nfs/dbraw/zinc/35/38/35/518353835.db2.gz QYBNUMLPDXJZHO-LLVKDONJSA-N 0 0 271.385 4.074 10 0 CIAERN CC(C)(C(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000062772909 518507322 /nfs/dbraw/zinc/50/73/22/518507322.db2.gz YBFFQNBFFUELBV-UHFFFAOYSA-N 0 0 272.775 4.429 10 0 CIAERN CC(C)(C)Nc1cc(-c2cc3ccccc3o2)[nH]n1 ZINC000062669073 518772548 /nfs/dbraw/zinc/77/25/48/518772548.db2.gz SEGINFYQMOBGFF-UHFFFAOYSA-N 0 0 255.321 4.033 10 0 CIAERN CC(C)(c1ccccc1)[C@@H](O)Cc1ccccc1Cl ZINC000062772999 519379718 /nfs/dbraw/zinc/37/97/18/519379718.db2.gz WOIWKVKIQMQROI-INIZCTEOSA-N 0 0 274.791 4.221 10 0 CIAERN CC(C)Cc1ccc([C@H](C)NCc2nccs2)cc1 ZINC000041011934 519449768 /nfs/dbraw/zinc/44/97/68/519449768.db2.gz TZIPCIGLAXBJMP-ZDUSSCGKSA-N 0 0 274.433 4.192 10 0 CIAERN CC(C)OCCNc1c(Cl)cccc1C(F)(F)F ZINC000049259389 519768498 /nfs/dbraw/zinc/76/84/98/519768498.db2.gz SNKCMTQPRWYSQU-UHFFFAOYSA-N 0 0 281.705 4.196 10 0 CIAERN CC(C)c1ccc(OCCCC(C)(C)C(N)=S)cc1 ZINC000057901548 519838104 /nfs/dbraw/zinc/83/81/04/519838104.db2.gz DNZNWRSHQWNPPE-UHFFFAOYSA-N 0 0 279.449 4.281 10 0 CIAERN CC(C)c1ccc(OCCc2ccccc2N)cc1 ZINC000052918887 519838253 /nfs/dbraw/zinc/83/82/53/519838253.db2.gz COSYQPGLHJWXJG-UHFFFAOYSA-N 0 0 255.361 4.014 10 0 CIAERN CC(C)c1nc(CSc2ccccc2N)cs1 ZINC000049277024 519865036 /nfs/dbraw/zinc/86/50/36/519865036.db2.gz DGJPIIDIDYYBKY-UHFFFAOYSA-N 0 0 264.419 4.141 10 0 CIAERN CCCNc1cc(C(F)F)nc2c(F)cc(C)cc12 ZINC000061629684 520133780 /nfs/dbraw/zinc/13/37/80/520133780.db2.gz JDOWXECAIIHECD-UHFFFAOYSA-N 0 0 268.282 4.442 10 0 CIAERN CCNc1cc(CS[C@@H]2CCC[C@H](C)C2)ccn1 ZINC000054696017 520272282 /nfs/dbraw/zinc/27/22/82/520272282.db2.gz BHJFTXCWLGAWQE-GXTWGEPZSA-N 0 0 264.438 4.325 10 0 CIAERN CCCOc1ccc(-c2csc(NCC)n2)cc1 ZINC000061714355 520316555 /nfs/dbraw/zinc/31/65/55/520316555.db2.gz MMUKFQYDKZDVIS-UHFFFAOYSA-N 0 0 262.378 4.031 10 0 CIAERN CCNc1ncccc1COc1ccc(Cl)c(C)c1 ZINC000052734012 520378320 /nfs/dbraw/zinc/37/83/20/520378320.db2.gz RTXYJMVAHQAWPW-UHFFFAOYSA-N 0 0 276.767 4.054 10 0 CIAERN CCCCN(c1nc(C)c(C(C)=O)s1)[C@@H](C)CC ZINC000054863825 520552632 /nfs/dbraw/zinc/55/26/32/520552632.db2.gz ZEHBKHPKIDYXJE-JTQLQIEISA-N 0 0 268.426 4.059 10 0 CIAERN CC1(C)Cc2nc(-c3ccccc3Cl)sc2[C@H](O)C1 ZINC000050438932 520584259 /nfs/dbraw/zinc/58/42/59/520584259.db2.gz MKZCVUUDMTXMCD-GFCCVEGCSA-N 0 0 293.819 4.469 10 0 CIAERN CCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127976379 520604672 /nfs/dbraw/zinc/60/46/72/520604672.db2.gz ASCFCQKVGPEDMF-TZMCWYRMSA-N 0 0 263.381 4.078 10 0 CIAERN CCC[C@@H](Nc1ccc(N)cc1F)c1cccs1 ZINC000049542257 520795870 /nfs/dbraw/zinc/79/58/70/520795870.db2.gz AYMGMFZYCTYEDI-CYBMUJFWSA-N 0 0 264.369 4.423 10 0 CIAERN CCOC(=O)[C@H](c1cccc(Cl)c1Cl)C(C)C ZINC000052232896 521274637 /nfs/dbraw/zinc/27/46/37/521274637.db2.gz ZXHWVJSMVRNFBZ-NSHDSACASA-N 0 0 275.175 4.296 10 0 CIAERN CCCc1cc(Cl)nc(Nc2ccc(C)cc2)n1 ZINC000057331120 521366105 /nfs/dbraw/zinc/36/61/05/521366105.db2.gz JHQWTUNHVJNJRX-UHFFFAOYSA-N 0 0 261.756 4.135 10 0 CIAERN CCCc1ccc([C@@](C)(O)c2ccc(C)cc2)cc1 ZINC000055241658 521415840 /nfs/dbraw/zinc/41/58/40/521415840.db2.gz JXEZEBCTIBXPRF-SFHVURJKSA-N 0 0 254.373 4.203 10 0 CIAERN CCOc1cccc([C@H](O)c2cccc(Cl)c2Cl)c1 ZINC000055200904 521423186 /nfs/dbraw/zinc/42/31/86/521423186.db2.gz LMCJMTQRXHOWNY-HNNXBMFYSA-N 0 0 297.181 4.474 10 0 CIAERN CCCc1nc(-c2cccc(OC(C)C)c2)c(N)s1 ZINC000050308348 521465621 /nfs/dbraw/zinc/46/56/21/521465621.db2.gz RWEBXHKTCFOATN-UHFFFAOYSA-N 0 0 276.405 4.132 10 0 CIAERN CCOC(=O)c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000062170283 521525405 /nfs/dbraw/zinc/52/54/05/521525405.db2.gz ASZCHZOCYMMDPC-UHFFFAOYSA-N 0 0 290.746 4.096 10 0 CIAERN CCC(CC)n1ccc(CN[C@@H](C)c2cccs2)n1 ZINC000085173133 521640772 /nfs/dbraw/zinc/64/07/72/521640772.db2.gz BRROXNQGCKXJBZ-LBPRGKRZSA-N 0 0 277.437 4.157 10 0 CIAERN CCC1(C)CCN(c2ccc([C@H](C)O)cc2Cl)CC1 ZINC000062954806 521678399 /nfs/dbraw/zinc/67/83/99/521678399.db2.gz MIZQOIPNYJIASQ-LBPRGKRZSA-N 0 0 281.827 4.410 10 0 CIAERN CCCN(c1ccc([C@H](C)O)cc1Cl)C(C)C ZINC000061695215 521697292 /nfs/dbraw/zinc/69/72/92/521697292.db2.gz MFUBWHXRYNCWPH-NSHDSACASA-N 0 0 255.789 4.018 10 0 CIAERN CCc1nc(N)sc1Cc1ccc(Cl)c(Cl)c1 ZINC000050266590 522383716 /nfs/dbraw/zinc/38/37/16/522383716.db2.gz GOQRISWYRJKHAV-UHFFFAOYSA-N 0 0 287.215 4.185 10 0 CIAERN COc1cc(Cl)c(C)cc1Nc1cccc(N)c1C ZINC000062724348 522519235 /nfs/dbraw/zinc/51/92/35/522519235.db2.gz HAJCTXZJPKHCPW-UHFFFAOYSA-N 0 0 276.767 4.291 10 0 CIAERN CNc1c2c(F)cc(F)c(F)c2nc(C)c1C(C)C ZINC000061687794 522546693 /nfs/dbraw/zinc/54/66/93/522546693.db2.gz LYQOSJJGBUWPTF-UHFFFAOYSA-N 0 0 268.282 4.126 10 0 CIAERN CNc1ccc(CSc2ccc(C)cc2C)cn1 ZINC000050834062 522613474 /nfs/dbraw/zinc/61/34/74/522613474.db2.gz XUYLNAFJSMUOTL-UHFFFAOYSA-N 0 0 258.390 4.032 10 0 CIAERN CNc1nc2ccsc2c(Nc2ccc(C)cc2C)n1 ZINC000061929701 522690906 /nfs/dbraw/zinc/69/09/06/522690906.db2.gz BSSKJMBYJXRMNS-UHFFFAOYSA-N 0 0 284.388 4.093 10 0 CIAERN CC[C@H]1CCCC[C@H]1OCc1cccnc1Cl ZINC000052724123 523065133 /nfs/dbraw/zinc/06/51/33/523065133.db2.gz DSYHZZBJJYDGAJ-WCQYABFASA-N 0 0 253.773 4.220 10 0 CIAERN CCc1sc([C@@H](C)Nc2ccc3nccnc3n2)cc1C ZINC000157783079 523076350 /nfs/dbraw/zinc/07/63/50/523076350.db2.gz KEJBSVSLWULENY-LLVKDONJSA-N 0 0 298.415 4.130 10 0 CIAERN COc1ccc(-n2c(=S)[nH]c3ccccc32)cc1C ZINC000049531521 523311632 /nfs/dbraw/zinc/31/16/32/523311632.db2.gz CTVVPFVFYLRQNN-UHFFFAOYSA-N 0 0 270.357 4.005 10 0 CIAERN CCc1ccc(/C=C(/Cc2ccccc2)[N+](=O)[O-])s1 ZINC000054687372 523870391 /nfs/dbraw/zinc/87/03/91/523870391.db2.gz GLKYKOIRMPDKBI-QBFSEMIESA-N 0 0 273.357 4.171 10 0 CIAERN CCc1ccc(C[C@@H](O)c2ccc(F)c(Cl)c2)s1 ZINC000062791972 523951445 /nfs/dbraw/zinc/95/14/45/523951445.db2.gz NCSJIJRFDRPVLX-CQSZACIVSA-N 0 0 284.783 4.379 10 0 CIAERN CCc1ccc(C[C@@H](O)c2ccc(Cl)cc2F)cc1 ZINC000062785469 523951787 /nfs/dbraw/zinc/95/17/87/523951787.db2.gz UGJTVHSMMBAIOA-MRXNPFEDSA-N 0 0 278.754 4.318 10 0 CIAERN COc1ccc(CCNc2cccc(Cl)c2C)cc1 ZINC000066161980 523978563 /nfs/dbraw/zinc/97/85/63/523978563.db2.gz QMFQVNACFPCKAL-UHFFFAOYSA-N 0 0 275.779 4.312 10 0 CIAERN CCc1ccc([C@@](C)(O)c2ccc(C)cc2C)cc1 ZINC000055235446 524041080 /nfs/dbraw/zinc/04/10/80/524041080.db2.gz LRPNPMWQVNXDNU-GOSISDBHSA-N 0 0 254.373 4.122 10 0 CIAERN Cc1ccc(C)c(C[C@@H](O)c2ccccc2Cl)c1 ZINC000050438707 524110488 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/nfs/dbraw/zinc/60/86/74/524608674.db2.gz LKSYGYVENRWVMC-UHFFFAOYSA-N 0 0 273.401 4.284 10 0 CIAERN Cc1cc(C=O)ccc1N(Cc1ccsc1)C1CC1 ZINC000050544947 524609671 /nfs/dbraw/zinc/60/96/71/524609671.db2.gz DSEDVNGDDJESJY-UHFFFAOYSA-N 0 0 271.385 4.038 10 0 CIAERN Cc1ccc(F)c(-c2cc3ncnc(Cl)c3s2)c1 ZINC000052984493 524778615 /nfs/dbraw/zinc/77/86/15/524778615.db2.gz KXAXOMCRCUSPFU-UHFFFAOYSA-N 0 0 278.739 4.459 10 0 CIAERN Cc1ccc(F)c(C(=O)c2ccc(Br)s2)c1 ZINC000052981535 524801999 /nfs/dbraw/zinc/80/19/99/524801999.db2.gz BLOASMVLXAJZEC-UHFFFAOYSA-N 0 0 299.164 4.189 10 0 CIAERN Cc1ccc(F)c([C@@](C)(O)c2ccc(C)c(C)c2)c1 ZINC000055193132 524835106 /nfs/dbraw/zinc/83/51/06/524835106.db2.gz DATIYZWCNRNXIP-KRWDZBQOSA-N 0 0 258.336 4.007 10 0 CIAERN Cc1ccc(F)c([C@H](O)Cc2ccc(F)cc2Cl)c1 ZINC000062607330 524835161 /nfs/dbraw/zinc/83/51/61/524835161.db2.gz MBZHWXAFAXMMLX-OAHLLOKOSA-N 0 0 282.717 4.203 10 0 CIAERN Cc1cccc([C@H](O)c2ccc(F)c(Cl)c2)c1C ZINC000062792033 524885493 /nfs/dbraw/zinc/88/54/93/524885493.db2.gz SKPSNCOVIIENDP-OAHLLOKOSA-N 0 0 264.727 4.178 10 0 CIAERN Cc1ccc(N)cc1N[C@@H]1CCCc2ccccc21 ZINC000053735607 524911483 /nfs/dbraw/zinc/91/14/83/524911483.db2.gz SCWXQBBVNNLPSP-MRXNPFEDSA-N 0 0 252.361 4.067 10 0 CIAERN Cc1ccccc1-c1c(N)n[nH]c1-c1ccc(Cl)s1 ZINC000051172189 525002339 /nfs/dbraw/zinc/00/23/39/525002339.db2.gz FHSWDQIMXRQBOC-UHFFFAOYSA-N 0 0 289.791 4.349 10 0 CIAERN Cc1cc(N(C)Cc2ccc(Cl)cc2)ccc1C=O ZINC000050569537 525029569 /nfs/dbraw/zinc/02/95/69/525029569.db2.gz HEGOXVJDPRZSCO-UHFFFAOYSA-N 0 0 273.763 4.097 10 0 CIAERN Cc1cc(N)ccc1N[C@H](C)c1cccc(Cl)c1 ZINC000049515117 525038968 /nfs/dbraw/zinc/03/89/68/525038968.db2.gz PTHSVIYZSRKVAY-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN C[C@](O)(c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000055190821 525186925 /nfs/dbraw/zinc/18/69/25/525186925.db2.gz UFQJTKLJGCFWDV-AWEZNQCLSA-N 0 0 285.145 4.388 10 0 CIAERN Cc1ccc(N[C@H](C)c2cccc(Cl)c2)c(N)c1 ZINC000049515131 525316206 /nfs/dbraw/zinc/31/62/06/525316206.db2.gz OSHMIZRFEKBBKL-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Nc2cc(Cl)ccc2F)cc1N ZINC000061701190 525323065 /nfs/dbraw/zinc/32/30/65/525323065.db2.gz DJNTXPFPVCZFPS-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccccc1Oc1ccc(Cl)cc1C(N)=S ZINC000052859268 525325483 /nfs/dbraw/zinc/32/54/83/525325483.db2.gz GTSOMDCGBBERPQ-UHFFFAOYSA-N 0 0 277.776 4.075 10 0 CIAERN Cc1cc(Oc2ccc(Cl)cc2C)nc(Cl)n1 ZINC000052813971 525384598 /nfs/dbraw/zinc/38/45/98/525384598.db2.gz NSCMEAVZXUXJTK-UHFFFAOYSA-N 0 0 269.131 4.193 10 0 CIAERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2)c(Cl)c1 ZINC000054351743 525475983 /nfs/dbraw/zinc/47/59/83/525475983.db2.gz DNDBFOYFPQIGSN-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN Cc1cc([C@H](O)c2cccc(OC(C)C)c2)c(C)s1 ZINC000061666963 525540321 /nfs/dbraw/zinc/54/03/21/525540321.db2.gz OHQKSNKDVGMGOJ-MRXNPFEDSA-N 0 0 276.401 4.234 10 0 CIAERN C[C@@H](N[C@@H](C)c1nc2ccccc2[nH]1)c1ccsc1 ZINC000054376084 525622461 /nfs/dbraw/zinc/62/24/61/525622461.db2.gz BQAXZJFLGJTFCY-MNOVXSKESA-N 0 0 271.389 4.036 10 0 CIAERN COc1ccc2nc(-c3cccs3)nc(Cl)c2c1 ZINC000062772630 525657277 /nfs/dbraw/zinc/65/72/77/525657277.db2.gz ZLGMDBMNGFMWDV-UHFFFAOYSA-N 0 0 276.748 4.020 10 0 CIAERN Cc1ccc(SCCc2ccccc2N)cc1C ZINC000052919105 525659348 /nfs/dbraw/zinc/65/93/48/525659348.db2.gz RCLRQELKKPHYBQ-UHFFFAOYSA-N 0 0 257.402 4.220 10 0 CIAERN C[C@@H](N[C@H](C)c1nccs1)c1ccc(Cl)s1 ZINC000070732337 525664120 /nfs/dbraw/zinc/66/41/20/525664120.db2.gz BMHFGLSPWQIWCD-HTQZYQBOSA-N 0 0 272.826 4.270 10 0 CIAERN C[C@@H](Nc1ccc(Br)cc1)c1cncs1 ZINC000162992365 525701279 /nfs/dbraw/zinc/70/12/79/525701279.db2.gz AQSNNKGYCLMQDH-MRVPVSSYSA-N 0 0 283.194 4.079 10 0 CIAERN C[C@@H](Nc1ccc(N)c2cccnc12)c1ccsc1 ZINC000061361224 525706213 /nfs/dbraw/zinc/70/62/13/525706213.db2.gz XTGCTKNXXSXCOB-SNVBAGLBSA-N 0 0 269.373 4.052 10 0 CIAERN C[C@@H](Nc1cccc(Cl)c1C(N)=S)C1CCCCC1 ZINC000052908080 525717238 /nfs/dbraw/zinc/71/72/38/525717238.db2.gz 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Clc1nc(NCCC2=CCOCC2)cc2ccccc21 ZINC000158105458 527004706 /nfs/dbraw/zinc/00/47/06/527004706.db2.gz MOGAJPWVFFLTLQ-UHFFFAOYSA-N 0 0 288.778 4.037 10 0 CIAERN NC(=S)c1ccc(Cl)cc1Oc1cccc(F)c1F ZINC000062788727 527118963 /nfs/dbraw/zinc/11/89/63/527118963.db2.gz WOEVPNUCMIGANJ-UHFFFAOYSA-N 0 0 299.729 4.045 10 0 CIAERN O=C(Cc1c(F)cccc1Cl)c1cccc(F)c1F ZINC000054207865 527198971 /nfs/dbraw/zinc/19/89/71/527198971.db2.gz MFNYDBJMUXIKDA-UHFFFAOYSA-N 0 0 284.664 4.183 10 0 CIAERN O=C(Cc1cccc(Cl)c1)CC1CCCCC1 ZINC000052944833 527258445 /nfs/dbraw/zinc/25/84/45/527258445.db2.gz ALGAAYFREOPZAH-UHFFFAOYSA-N 0 0 250.769 4.422 10 0 CIAERN O=C(Cc1cccc(F)c1F)c1ccccc1Cl ZINC000053780345 527266869 /nfs/dbraw/zinc/26/68/69/527266869.db2.gz RPCZOUUKIDIYME-UHFFFAOYSA-N 0 0 266.674 4.044 10 0 CIAERN Cc1ncc(Cn2c(=S)[nH]c3cccc(Cl)c32)s1 ZINC000049534133 527287302 /nfs/dbraw/zinc/28/73/02/527287302.db2.gz UQAOHOCIXYWBST-UHFFFAOYSA-N 0 0 295.820 4.166 10 0 CIAERN Nc1onc(-c2cc3c(s2)CCC3)c1-c1cccs1 ZINC000052902007 527581899 /nfs/dbraw/zinc/58/18/99/527581899.db2.gz IKYOLYXLODNBLQ-UHFFFAOYSA-N 0 0 288.397 4.203 10 0 CIAERN O[C@@H](COc1ccccc1)c1cccc(Cl)c1Cl ZINC000055204534 527662235 /nfs/dbraw/zinc/66/22/35/527662235.db2.gz DIPHDCQQMXMKNI-ZDUSSCGKSA-N 0 0 283.154 4.106 10 0 CIAERN O[C@@H](Cc1ccc(Br)cc1)C1=CCCCCC1 ZINC000050329382 527664115 /nfs/dbraw/zinc/66/41/15/527664115.db2.gz TUEOQBSLKDZASX-HNNXBMFYSA-N 0 0 295.220 4.243 10 0 CIAERN FC(F)(F)c1cccc(Cl)c1NCc1cncs1 ZINC000054770423 527685551 /nfs/dbraw/zinc/68/55/51/527685551.db2.gz XLQMDEVQUCGAEB-UHFFFAOYSA-N 0 0 292.713 4.427 10 0 CIAERN CCOc1ccc(Cc2cc(O)ccc2Cl)cc1 ZINC000504395047 528468755 /nfs/dbraw/zinc/46/87/55/528468755.db2.gz HCEHZWDDVOFGKQ-UHFFFAOYSA-N 0 0 262.736 4.035 10 0 CIAERN CC(C)SCC(=O)c1cc(Cl)ccc1Cl ZINC000036179840 567905209 /nfs/dbraw/zinc/90/52/09/567905209.db2.gz BTSVTDVIOXSJEL-UHFFFAOYSA-N 0 0 263.189 4.318 10 0 CIAERN CC[C@H](C)c1nc2cc(C3CCC3)cc(Cl)n2n1 ZINC000725245999 567908191 /nfs/dbraw/zinc/90/81/91/567908191.db2.gz OFQOEMZDEOPZLK-VIFPVBQESA-N 0 0 263.772 4.164 10 0 CIAERN FC1(F)C[C@H](c2ccc(Br)cc2)C1(F)F ZINC000066308916 570245381 /nfs/dbraw/zinc/24/53/81/570245381.db2.gz KDNLQJIMDWXOHJ-MRVPVSSYSA-N 0 0 283.062 4.207 10 0 CIAERN CC(=O)C[C@@H](C)Sc1cc(Cl)cc(Cl)c1 ZINC000393729002 570277144 /nfs/dbraw/zinc/27/71/44/570277144.db2.gz LPRPRAYZSYUAKD-MRVPVSSYSA-N 0 0 263.189 4.453 10 0 CIAERN Cc1cc(C(F)F)nc2cc(F)c(Br)cc12 ZINC000669372745 570350788 /nfs/dbraw/zinc/35/07/88/570350788.db2.gz YSRGKDYIZXFOJD-UHFFFAOYSA-N 0 0 290.082 4.382 10 0 CIAERN Clc1c(Cl)c(Cl)c2nccnc2c1Cl ZINC000002026528 560185968 /nfs/dbraw/zinc/18/59/68/560185968.db2.gz NHTGQOXRZFUGJX-UHFFFAOYSA-N 0 0 267.930 4.243 10 0 in-vitro CIAERN OC[C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000002044362 560186329 /nfs/dbraw/zinc/18/63/29/560186329.db2.gz QDWRDRBFKBWHQR-CYBMUJFWSA-N 0 0 267.155 4.118 10 0 in-vitro CIAERN COc1cc2occc2c2oc(-c3ccccc3)cc(=O)c12 ZINC000014677166 560224120 /nfs/dbraw/zinc/22/41/20/560224120.db2.gz OETPQDGRJAJHMF-UHFFFAOYSA-N 0 0 292.290 4.215 10 0 biogenic,in-vitro CIAERN Cc1cc(C(F)F)nc2ccc(Br)cc12 ZINC000667393958 566934039 /nfs/dbraw/zinc/93/40/39/566934039.db2.gz DNVIHTBAQTVKRO-UHFFFAOYSA-N 0 0 272.092 4.243 10 0 CIAERN CCNc1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000226285018 566984312 /nfs/dbraw/zinc/98/43/12/566984312.db2.gz WJQWXMCKSCPKFR-NSHDSACASA-N 0 0 252.789 4.151 10 0 CIAERN CC[C@H](C)C(=O)c1cc2ccc(Br)cc2o1 ZINC000675081591 567027117 /nfs/dbraw/zinc/02/71/17/567027117.db2.gz UVZJLYGKRSWUCU-QMMMGPOBSA-N 0 0 281.149 4.424 10 0 CIAERN Cc1cc(N)cc2nc(-c3cccc(Cl)c3C)oc21 ZINC000226248351 567038663 /nfs/dbraw/zinc/03/86/63/567038663.db2.gz GGGRPENGSPFBDV-UHFFFAOYSA-N 0 0 272.735 4.347 10 0 CIAERN CC(C)(C)OC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000406119266 567039229 /nfs/dbraw/zinc/03/92/29/567039229.db2.gz SGBMDMQIDHPREF-BQYQJAHWSA-N 0 0 272.266 4.060 10 0 CIAERN CC[C@H](C)c1ccccc1NC(=O)c1cccc(N)c1 ZINC000226265207 567039285 /nfs/dbraw/zinc/03/92/85/567039285.db2.gz BLYIHRBPSFKUSW-LBPRGKRZSA-N 0 0 268.360 4.035 10 0 CIAERN CC[C@H](Sc1ccc(Cl)c(Cl)c1)C(C)=O ZINC000616573985 567212478 /nfs/dbraw/zinc/21/24/78/567212478.db2.gz WJVIYCLEILGPQP-NSHDSACASA-N 0 0 263.189 4.453 10 0 CIAERN CC(=O)CCCSc1ccc(Cl)cc1Cl ZINC000322718411 567213605 /nfs/dbraw/zinc/21/36/05/567213605.db2.gz WJLCDWXEJWYSIM-UHFFFAOYSA-N 0 0 263.189 4.455 10 0 CIAERN Cc1ccc(Sc2ccc([C@H](C)O)cc2F)cc1 ZINC000058819706 567217846 /nfs/dbraw/zinc/21/78/46/567217846.db2.gz CUSCBKFTTAKXRG-NSHDSACASA-N 0 0 262.349 4.339 10 0 CIAERN Fc1ccc(-c2cccc(Br)c2F)cc1 ZINC000725244923 567220096 /nfs/dbraw/zinc/22/00/96/567220096.db2.gz ZVGZQTAWKDSJBB-UHFFFAOYSA-N 0 0 269.088 4.394 10 0 CIAERN CSc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 ZINC000004669899 567858988 /nfs/dbraw/zinc/85/89/88/567858988.db2.gz ZINWRFPKVUDMKX-DHZHZOJOSA-N 0 0 266.369 4.455 10 0 CIAERN Cc1nc2cc(-c3noc(-c4ccccc4C)n3)ccc2o1 ZINC000065149601 567868766 /nfs/dbraw/zinc/86/87/66/567868766.db2.gz YRAUJLRZTZEMIS-UHFFFAOYSA-N 0 0 291.310 4.162 10 0 CIAERN O=C1CC[C@@H](Sc2cc(Cl)ccc2Cl)C1 ZINC000070234221 567885536 /nfs/dbraw/zinc/88/55/36/567885536.db2.gz RIVYDOHBFHWBBP-SECBINFHSA-N 0 0 261.173 4.207 10 0 CIAERN COc1ccc2c(c1)c(C=O)cn2Cc1cc(C)ccc1C ZINC000041483404 567891140 /nfs/dbraw/zinc/89/11/40/567891140.db2.gz DBFSKHPJYQMCJF-UHFFFAOYSA-N 0 0 293.366 4.128 10 0 CIAERN CC(=O)CCCSc1cc(Cl)cc(Cl)c1 ZINC000308795157 567892870 /nfs/dbraw/zinc/89/28/70/567892870.db2.gz CBHKMWMQIHANGJ-UHFFFAOYSA-N 0 0 263.189 4.455 10 0 CIAERN Cc1ccc(C)c(-c2nc3c(cc(C)cc3C)[nH]2)c1 ZINC000073638584 567893710 /nfs/dbraw/zinc/89/37/10/567893710.db2.gz PHEAAWNCSMSKBJ-UHFFFAOYSA-N 0 0 250.345 4.464 10 0 CIAERN C=Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000116800374 567893832 /nfs/dbraw/zinc/89/38/32/567893832.db2.gz CNOUIAHFQDAILL-UHFFFAOYSA-N 0 0 251.045 4.111 10 0 CIAERN Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000062538947 567897719 /nfs/dbraw/zinc/89/77/19/567897719.db2.gz XSUQSBHGQBCFCR-UHFFFAOYSA-N 0 0 260.749 4.199 10 0 CIAERN O=C(c1sccc1Br)C1CCCCC1 ZINC000087568693 567907363 /nfs/dbraw/zinc/90/73/63/567907363.db2.gz BWHNOFDSLKFSQK-UHFFFAOYSA-N 0 0 273.195 4.274 10 0 CIAERN Fc1ncc(Cl)cc1-c1ccc(Br)cc1 ZINC000725241202 567907780 /nfs/dbraw/zinc/90/77/80/567907780.db2.gz APUJDIFYXAOQLD-UHFFFAOYSA-N 0 0 286.531 4.304 10 0 CIAERN CC(C)CCc1nc2cc(C3CCC3)cc(Cl)n2n1 ZINC000725245077 567908309 /nfs/dbraw/zinc/90/83/09/567908309.db2.gz FTTNXFFNKJKKQN-UHFFFAOYSA-N 0 0 277.799 4.239 10 0 CIAERN Cc1ccsc1C(=S)N[C@H](C)c1ccccc1 ZINC000097673660 567910853 /nfs/dbraw/zinc/91/08/53/567910853.db2.gz YHRZYYZDSJBWSR-LLVKDONJSA-N 0 0 261.415 4.083 10 0 CIAERN FC(F)(F)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000098091169 567911252 /nfs/dbraw/zinc/91/12/52/567911252.db2.gz KJTTXTPFMGWOCS-RKDXNWHRSA-N 0 0 265.072 4.115 10 0 CIAERN CCn1cc(C(F)F)c(-c2cc(Cl)ccc2F)n1 ZINC000725270693 567924615 /nfs/dbraw/zinc/92/46/15/567924615.db2.gz QYIZDOYITAKOOH-UHFFFAOYSA-N 0 0 274.673 4.300 10 0 CIAERN Cc1ccc(-c2cncc(Br)c2C)c(C)c1 ZINC000725270392 567924636 /nfs/dbraw/zinc/92/46/36/567924636.db2.gz JVZLFLZZSFKSEI-UHFFFAOYSA-N 0 0 276.177 4.436 10 0 CIAERN CC(C)(C)Sc1c(Br)cccc1C=O ZINC000114332308 567926543 /nfs/dbraw/zinc/92/65/43/567926543.db2.gz VWYOBZPIGLSLLF-UHFFFAOYSA-N 0 0 273.195 4.152 10 0 CIAERN O=C(CC1CC1)c1cc2cccc(Br)c2o1 ZINC000136577552 567944723 /nfs/dbraw/zinc/94/47/23/567944723.db2.gz YSCGIGXWNZXUEA-UHFFFAOYSA-N 0 0 279.133 4.178 10 0 CIAERN CCC(C)(C)c1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725242980 570255045 /nfs/dbraw/zinc/25/50/45/570255045.db2.gz DJDUVCISDIVGGD-UHFFFAOYSA-N 0 0 291.704 4.089 10 0 CIAERN CCc1c(C)cc2nc(C(CC)CC)nn2c1Cl ZINC000725242999 570255109 /nfs/dbraw/zinc/25/51/09/570255109.db2.gz FGSSLJYBRNPRNW-UHFFFAOYSA-N 0 0 265.788 4.157 10 0 CIAERN CCC(C)(C)c1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243020 570255177 /nfs/dbraw/zinc/25/51/77/570255177.db2.gz GAMAOUMAODHXFR-UHFFFAOYSA-N 0 0 279.815 4.368 10 0 CIAERN CC[C@@H](C)Cc1nc2cc(CC(C)C)cc(Cl)n2n1 ZINC000725248239 570255988 /nfs/dbraw/zinc/25/59/88/570255988.db2.gz PHAQDAYXSFNSAB-LLVKDONJSA-N 0 0 279.815 4.170 10 0 CIAERN Oc1cccc(Nc2ccnc3[nH]c4ccccc4c32)c1 ZINC000103297550 570287115 /nfs/dbraw/zinc/28/71/15/570287115.db2.gz RXPZOSHFGJWSLQ-UHFFFAOYSA-N 0 0 275.311 4.165 10 0 CIAERN Cc1cc(-c2ccc(Cl)s2)c(C)cc1C=O ZINC000675072240 570366551 /nfs/dbraw/zinc/36/65/51/570366551.db2.gz BFQZRQIFMSCFFN-UHFFFAOYSA-N 0 0 250.750 4.498 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccccc2)c(C)c1 ZINC000012340219 570345111 /nfs/dbraw/zinc/34/51/11/570345111.db2.gz XDTGECWVKSCXDL-UILAEWCASA-N 0 0 279.383 4.194 10 0 CIAERN Nc1c(F)ccc(-c2cc(Cl)ccc2F)c1F ZINC000675056310 570364317 /nfs/dbraw/zinc/36/43/17/570364317.db2.gz GZYZHXUZXBJPRR-UHFFFAOYSA-N 0 0 257.642 4.007 10 0 CIAERN C[C@@H]1CC(C)(C)Nc2c(Br)cccc21 ZINC000258281951 570390524 /nfs/dbraw/zinc/39/05/24/570390524.db2.gz TYLGUQXMXWHADR-MRVPVSSYSA-N 0 0 254.171 4.147 10 0 CIAERN COC1=NCCCC[C@@H]1C1CCC(C(C)C)CC1 ZINC000616569082 570408718 /nfs/dbraw/zinc/40/87/18/570408718.db2.gz HQTIQERZLTZPIM-YMAMQOFZSA-N 0 0 251.414 4.294 10 0 CIAERN CCC(C)(C)C1CCC([S@](=N)(=O)C(C)C)CC1 ZINC000616568158 570408760 /nfs/dbraw/zinc/40/87/60/570408760.db2.gz FILCLPUYYOUGOG-QWQCLYJRSA-N 0 0 259.459 4.437 10 0 CIAERN Oc1c(Br)cccc1CC1CCCCC1 ZINC000095721827 185019682 /nfs/dbraw/zinc/01/96/82/185019682.db2.gz WBIWNOISSUJQRC-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN Oc1ccc(Br)cc1CC1CCCCC1 ZINC000095724859 185021105 /nfs/dbraw/zinc/02/11/05/185021105.db2.gz WRQQZNURODBQII-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN CC(C)(C)Oc1cc(OC2CC2)ccc1Br ZINC000095725362 185021856 /nfs/dbraw/zinc/02/18/56/185021856.db2.gz AQDFCKSRJWHGAG-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)c1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2C)n1 ZINC000082509571 178075896 /nfs/dbraw/zinc/07/58/96/178075896.db2.gz ALZFDRICAMMBEN-WDEREUQCSA-N 0 0 267.804 4.244 10 0 CIAERN CCc1noc2ncc(SCc3ccccc3)cc12 ZINC000095829257 185028693 /nfs/dbraw/zinc/02/86/93/185028693.db2.gz KCQKUGZDWCUMLV-UHFFFAOYSA-N 0 0 270.357 4.078 10 0 CIAERN Clc1nc2c(c(Cl)n1)CC1(CCCCC1)S2 ZINC000095831291 185029729 /nfs/dbraw/zinc/02/97/29/185029729.db2.gz JOXLIRZWRXYACL-UHFFFAOYSA-N 0 0 275.204 4.135 10 0 CIAERN Cc1cnc(NC2CCCCCC2)c(Br)c1 ZINC000082586491 178122931 /nfs/dbraw/zinc/12/29/31/178122931.db2.gz UCCULTTXNIPZKB-UHFFFAOYSA-N 0 0 283.213 4.287 10 0 CIAERN Oc1ccc2nc(-c3ccc(NCCF)cc3)sc2c1 ZINC000095933253 185033666 /nfs/dbraw/zinc/03/36/66/185033666.db2.gz AMRCSPITBQTAKS-UHFFFAOYSA-N 0 0 288.347 4.050 10 0 CIAERN Clc1ccc2c(Br)cnc(Cl)c2c1 ZINC000095938251 185035130 /nfs/dbraw/zinc/03/51/30/185035130.db2.gz MPNVIJOSWLWNKA-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN Cc1ccc(/C=C\C(=O)NC2CCCCC2)cc1Cl ZINC000095938864 185035259 /nfs/dbraw/zinc/03/52/59/185035259.db2.gz HLUGOTYPECILMD-KTKRTIGZSA-N 0 0 277.795 4.111 10 0 CIAERN O=C(/C=C\c1ccc(F)c(Cl)c1)Nc1ccccc1 ZINC000095938483 185035522 /nfs/dbraw/zinc/03/55/22/185035522.db2.gz GYMIPRPTUWBHOM-CLFYSBASSA-N 0 0 275.710 4.131 10 0 CIAERN CCC(CC)[C@H](C)Nc1ccc(Br)cc1N ZINC000082630776 178140791 /nfs/dbraw/zinc/14/07/91/178140791.db2.gz IYYBTYMLTVHQIB-VIFPVBQESA-N 0 0 285.229 4.268 10 0 CIAERN CC(C)OC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000082723122 178238702 /nfs/dbraw/zinc/23/87/02/178238702.db2.gz WJVQLYWFNQQVBP-UHFFFAOYSA-N 0 0 256.301 4.044 10 0 CIAERN Clc1ccc(-c2scnc2Br)cc1 ZINC000096134310 185105049 /nfs/dbraw/zinc/10/50/49/185105049.db2.gz CNWLHIOVJORYSZ-UHFFFAOYSA-N 0 0 274.570 4.226 10 0 CIAERN Cc1ccc(NC(=O)NC2CCCCCC2)cc1Cl ZINC000096923534 185131444 /nfs/dbraw/zinc/13/14/44/185131444.db2.gz DYCZSJSRYDKEAZ-UHFFFAOYSA-N 0 0 280.799 4.493 10 0 CIAERN CC(C)(C)C(=O)n1c(-c2ccccc2)cc2ccncc21 ZINC000097673576 185649063 /nfs/dbraw/zinc/64/90/63/185649063.db2.gz PHIXSWDNTPWMIA-UHFFFAOYSA-N 0 0 278.355 4.390 10 0 CIAERN CC(C)(C)[C@@H]1CCC(=O)[C@H](CC(=O)c2ccc(F)cc2)C1 ZINC000085347815 179028769 /nfs/dbraw/zinc/02/87/69/179028769.db2.gz SWYIVPYMTHOHRT-UONOGXRCSA-N 0 0 290.378 4.430 10 0 CIAERN Cc1ccc(-c2[nH]nc3c2cnc2c(F)cccc32)cc1 ZINC000085346407 179028828 /nfs/dbraw/zinc/02/88/28/179028828.db2.gz MLUSBOZYPNXALB-UHFFFAOYSA-N 0 0 277.302 4.226 10 0 CIAERN Cc1cc(Nc2c(C)cccc2N)ccc1Br ZINC000098181316 185699117 /nfs/dbraw/zinc/69/91/17/185699117.db2.gz XDXUGFFAHIPIPN-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN C[C@@H]1Cc2ccccc2N(c2ccc(Cl)cc2N)C1 ZINC000103944335 136553483 /nfs/dbraw/zinc/55/34/83/136553483.db2.gz YOMJTXQPQQVDQO-LLVKDONJSA-N 0 0 272.779 4.253 10 0 CIAERN CCCCCN(c1c(N)cccc1Cl)C(C)C ZINC000103931937 185864002 /nfs/dbraw/zinc/86/40/02/185864002.db2.gz TUOKJYILKGGPEZ-UHFFFAOYSA-N 0 0 254.805 4.327 10 0 CIAERN Cc1cc([C@@]2(O)C[C@H](C)CC(C)(C)C2)ccc1F ZINC000103946005 185866291 /nfs/dbraw/zinc/86/62/91/185866291.db2.gz RLDBDIFJRYIYPM-BDJLRTHQSA-N 0 0 250.357 4.168 10 0 CIAERN Nc1cc(F)ccc1Oc1ccc2c(c1)CCCC2 ZINC000103971970 185872396 /nfs/dbraw/zinc/87/23/96/185872396.db2.gz ZEEWOCFZMRSGJC-UHFFFAOYSA-N 0 0 257.308 4.079 10 0 CIAERN Cc1ccc(OCCNc2ccccc2C)c(Cl)c1 ZINC000104009627 185881549 /nfs/dbraw/zinc/88/15/49/185881549.db2.gz XPNIDHLNQPJZNA-UHFFFAOYSA-N 0 0 275.779 4.448 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1ccc(F)cc1OC ZINC000103985472 185875515 /nfs/dbraw/zinc/87/55/15/185875515.db2.gz HCSKGIOUFPMFSB-YPMHNXCESA-N 0 0 253.361 4.461 10 0 CIAERN Brc1ccc(Nc2ccc3c(c2)CCC3)nc1 ZINC000103987562 185876600 /nfs/dbraw/zinc/87/66/00/185876600.db2.gz VCJLTSYPNJSUKM-UHFFFAOYSA-N 0 0 289.176 4.076 10 0 CIAERN CCCc1ccc(OCc2ccc(Cl)cc2N)cc1 ZINC000103994746 185877884 /nfs/dbraw/zinc/87/78/84/185877884.db2.gz PYUUDAKGUFVOEB-UHFFFAOYSA-N 0 0 275.779 4.454 10 0 CIAERN CCc1cccc(CC)c1NCCOCCC(C)C ZINC000103997604 185877910 /nfs/dbraw/zinc/87/79/10/185877910.db2.gz TUPCYORUHQRXRC-UHFFFAOYSA-N 0 0 263.425 4.286 10 0 CIAERN CCc1nc(-c2ccc(C)cc2C)nc(Cl)c1C ZINC000104157440 185913759 /nfs/dbraw/zinc/91/37/59/185913759.db2.gz PKXWAMLANHMHHB-UHFFFAOYSA-N 0 0 260.768 4.285 10 0 CIAERN C[C@H]1CCC[C@H](Nc2nc(Cl)nc3ccccc32)C1 ZINC000104167755 185915777 /nfs/dbraw/zinc/91/57/77/185915777.db2.gz PXWKRJDTRCLOEH-QWRGUYRKSA-N 0 0 275.783 4.274 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2C(N)=S)[C@@H]1C ZINC000104170184 185916456 /nfs/dbraw/zinc/91/64/56/185916456.db2.gz CFIXNSKKOBGTCU-GIPNMCIBSA-N 0 0 296.867 4.211 10 0 CIAERN CCCNc1nc2c(C)cc(Br)cc2cc1C ZINC000104173288 185916583 /nfs/dbraw/zinc/91/65/83/185916583.db2.gz JZKNYBMOLYUTLG-UHFFFAOYSA-N 0 0 293.208 4.436 10 0 CIAERN CCCCC[C@@H](C)Nc1nnc(C)c2ccccc21 ZINC000104177464 185917428 /nfs/dbraw/zinc/91/74/28/185917428.db2.gz QFXCHMNUBBMHFH-GFCCVEGCSA-N 0 0 257.381 4.319 10 0 CIAERN Cc1nc(Cl)c(C)c(N[C@@H](C)c2ccc(F)cc2)n1 ZINC000104210628 185931805 /nfs/dbraw/zinc/93/18/05/185931805.db2.gz APNGNXMVGRJYMY-VIFPVBQESA-N 0 0 279.746 4.059 10 0 CIAERN O[C@@H](Cc1csc2ccccc12)C1CCCCC1 ZINC000104212773 185932584 /nfs/dbraw/zinc/93/25/84/185932584.db2.gz CIQQFTWNDRUBEB-HNNXBMFYSA-N 0 0 260.402 4.385 10 0 CIAERN CNc1c(C)c(C(F)(F)F)nc2c(C)ccc(F)c21 ZINC000104223447 185935197 /nfs/dbraw/zinc/93/51/97/185935197.db2.gz MQFWNWQACMDUCB-UHFFFAOYSA-N 0 0 272.245 4.051 10 0 CIAERN Cc1cccc(CSc2cccc(F)c2[C@H](C)O)c1 ZINC000104298684 185958382 /nfs/dbraw/zinc/95/83/82/185958382.db2.gz DXJMEBRRUBSSIY-LBPRGKRZSA-N 0 0 276.376 4.480 10 0 CIAERN Cc1ccccc1CSc1ccc(C=O)cc1C ZINC000104299033 185958604 /nfs/dbraw/zinc/95/86/04/185958604.db2.gz XOMQIDPEMZEYGZ-UHFFFAOYSA-N 0 0 256.370 4.408 10 0 CIAERN CC(C)c1ccc(Sc2ccccc2CO)cc1 ZINC000104291048 185956743 /nfs/dbraw/zinc/95/67/43/185956743.db2.gz CEAOEGBGRRMHGQ-UHFFFAOYSA-N 0 0 258.386 4.454 10 0 CIAERN C[C@@H]1CCC[C@H](Sc2ccc(C=O)cc2F)C1 ZINC000104296431 185958802 /nfs/dbraw/zinc/95/88/02/185958802.db2.gz HDZGSRARJILODO-PWSUYJOCSA-N 0 0 252.354 4.309 10 0 CIAERN Cc1ccccc1CSc1ccc([C@H](C)O)cc1 ZINC000104299888 185959303 /nfs/dbraw/zinc/95/93/03/185959303.db2.gz LPKOETXGHFHPSF-ZDUSSCGKSA-N 0 0 258.386 4.341 10 0 CIAERN Nc1ccc(SC[C@@H]2CCCc3ccccc32)cc1 ZINC000104310728 185963005 /nfs/dbraw/zinc/96/30/05/185963005.db2.gz YGMJOFCPKYLMGK-AWEZNQCLSA-N 0 0 269.413 4.481 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1cccc2c1CCC2=O ZINC000104379119 185987127 /nfs/dbraw/zinc/98/71/27/185987127.db2.gz WTIUUTKKWYAAEJ-MLGOLLRUSA-N 0 0 258.361 4.163 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Sc1nc2ccc(N)cc2o1 ZINC000104382998 185988496 /nfs/dbraw/zinc/98/84/96/185988496.db2.gz QAYYHLQCGPNHGB-QMTHXVAHSA-N 0 0 276.405 4.471 10 0 CIAERN Cc1cc(F)ccc1C[C@H]1CCNc2ccccc21 ZINC000104389842 185989544 /nfs/dbraw/zinc/98/95/44/185989544.db2.gz HEQGADQWNCNFKL-CQSZACIVSA-N 0 0 255.336 4.276 10 0 CIAERN Fc1ccc2c(ccn2C/C=C/c2ccccc2)c1 ZINC000104421221 185996402 /nfs/dbraw/zinc/99/64/02/185996402.db2.gz GUBFXRYQQAXYRO-QPJJXVBHSA-N 0 0 251.304 4.494 10 0 CIAERN CCC(CC)[C@@H](C)Nc1ccc2scnc2c1N ZINC000104437253 186000947 /nfs/dbraw/zinc/00/09/47/186000947.db2.gz HMQAJLVEXDHRET-SECBINFHSA-N 0 0 263.410 4.115 10 0 CIAERN COc1ccc2c(c1)nc(Cl)nc2Nc1ccccc1 ZINC000090548440 180001750 /nfs/dbraw/zinc/00/17/50/180001750.db2.gz AFIBHEFVISBIAH-UHFFFAOYSA-N 0 0 285.734 4.035 10 0 CIAERN NC(=O)c1cccc2cc(-c3cccc4cnccc43)ccc21 ZINC000090585672 180009066 /nfs/dbraw/zinc/00/90/66/180009066.db2.gz DSQNIVKTMGHCOT-UHFFFAOYSA-N 0 0 298.345 4.154 10 0 CIAERN CC(C)(C)n1c(C=O)c(Cl)cc1-c1ccccc1 ZINC000090668676 180020034 /nfs/dbraw/zinc/02/00/34/180020034.db2.gz NJDUCRAILDBTNL-UHFFFAOYSA-N 0 0 261.752 4.376 10 0 CIAERN COc1c(F)c(F)c(C(Cl)(Cl)Cl)c(F)c1F ZINC000091251981 180114118 /nfs/dbraw/zinc/11/41/18/180114118.db2.gz XUGADXICDIGIJM-UHFFFAOYSA-N 0 0 297.462 4.078 10 0 CIAERN Cc1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000091303142 180129147 /nfs/dbraw/zinc/12/91/47/180129147.db2.gz KIMNETKQEJHUAI-UHFFFAOYSA-N 0 0 299.414 4.291 10 0 CIAERN Cc1cc(C)c2c(c1)C(=O)CCCN2C(=O)OC(C)(C)C ZINC000091368555 180143077 /nfs/dbraw/zinc/14/30/77/180143077.db2.gz PVSOMAFOIDLPKR-UHFFFAOYSA-N 0 0 289.375 4.021 10 0 CIAERN Fc1ccc([C@@H]2CCc3c2nc(Cl)nc3Cl)cc1 ZINC000091691401 180227419 /nfs/dbraw/zinc/22/74/19/180227419.db2.gz ATWGDJMSPINOIM-VIFPVBQESA-N 0 0 283.133 4.001 10 0 CIAERN Fc1cc2c(cc1Br)N=Cc1ccccc1O2 ZINC000091690758 180227535 /nfs/dbraw/zinc/22/75/35/180227535.db2.gz AGXQZQALYHLDNR-UHFFFAOYSA-N 0 0 292.107 4.445 10 0 CIAERN CCCNc1cc(C)nc(-c2ccc(Cl)c(F)c2)n1 ZINC000110106777 186285358 /nfs/dbraw/zinc/28/53/58/186285358.db2.gz NNFIQVAIBREHEF-UHFFFAOYSA-N 0 0 279.746 4.066 10 0 CIAERN CCNc1c(CC)c(C)nc2c(OC)ccc(Cl)c21 ZINC000110112169 186286281 /nfs/dbraw/zinc/28/62/81/186286281.db2.gz HKDMENVLUMQYPZ-UHFFFAOYSA-N 0 0 278.783 4.199 10 0 CIAERN C[C@@H](O)c1cc(F)ccc1SC1CCCCC1 ZINC000111576019 186428461 /nfs/dbraw/zinc/42/84/61/186428461.db2.gz PQKFPDBLINUVPH-SNVBAGLBSA-N 0 0 254.370 4.304 10 0 CIAERN Cc1cc(I)ccc1-c1ccccc1 ZINC000112734635 186527760 /nfs/dbraw/zinc/52/77/60/186527760.db2.gz DLGJDXSUHCXMNF-UHFFFAOYSA-N 0 0 294.135 4.267 10 0 CIAERN Cc1cc(-c2nc3cc(N)ccc3o2)ccc1Cl ZINC000138240014 187903419 /nfs/dbraw/zinc/90/34/19/187903419.db2.gz WWXVVWFAMARLCF-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN Cc1ccccc1C(=O)c1ccc2c3c(cccc31)CC2 ZINC000158686370 188389210 /nfs/dbraw/zinc/38/92/10/188389210.db2.gz ZASBQBGYZZMBBM-UHFFFAOYSA-N 0 0 272.347 4.478 10 0 CIAERN COc1cccc(C2=NN(c3ccc(C)cc3C)[C@H](C)C2)c1 ZINC000169804507 188665643 /nfs/dbraw/zinc/66/56/43/188665643.db2.gz VXJYQQNHUFAXOV-OAHLLOKOSA-N 0 0 294.398 4.315 10 0 CIAERN CCSc1cc(C(F)(F)F)nc(Nc2ccccc2)n1 ZINC000211683910 189688164 /nfs/dbraw/zinc/68/81/64/189688164.db2.gz RUOHWWPIBDKYSD-UHFFFAOYSA-N 0 0 299.321 4.351 10 0 CIAERN O=C(Oc1cccnc1Cl)c1cc2ccccc2s1 ZINC000000153095 169556390 /nfs/dbraw/zinc/55/63/90/169556390.db2.gz MJUROXWMOSFAGX-UHFFFAOYSA-N 0 0 289.743 4.169 10 0 CIAERN Cc1ccc(/C=C2\CC/C(=C/c3ccc(C)o3)C2=O)o1 ZINC000000214689 169577607 /nfs/dbraw/zinc/57/76/07/169577607.db2.gz QMFNMQZCEILUQX-ZKLMZBBOSA-N 0 0 268.312 4.319 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C(N)=S)cc1 ZINC000021803491 184536372 /nfs/dbraw/zinc/53/63/72/184536372.db2.gz OSIIAGCZEGHAOD-KCXAZCMYSA-N 0 0 291.460 4.160 10 0 CIAERN COc1cc(Cl)c(N[C@H]2CCCC[C@H]2C)cc1OC ZINC000037043653 184538881 /nfs/dbraw/zinc/53/88/81/184538881.db2.gz ZOKSPQBDZSDEDP-PWSUYJOCSA-N 0 0 283.799 4.348 10 0 CIAERN Cc1ccc2[nH]c(-c3ccc(Br)s3)nc2c1 ZINC000041043059 256725750 /nfs/dbraw/zinc/72/57/50/256725750.db2.gz JQWANKHTAJRRKD-UHFFFAOYSA-N 0 0 293.189 4.362 10 0 CIAERN CCCNc1nc(Cc2ccccc2)nc2sc(C)cc21 ZINC000096204195 256770938 /nfs/dbraw/zinc/77/09/38/256770938.db2.gz GENIPUPXAJOMKN-UHFFFAOYSA-N 0 0 297.427 4.412 10 0 CIAERN COc1cc2c(cc1C)[C@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 ZINC000004369913 256872498 /nfs/dbraw/zinc/87/24/98/256872498.db2.gz DIVPKWHYWKSKRU-JTWUUNPKSA-N 0 0 298.426 4.429 10 0 CIAERN COc1ccc(C)c2c1[C@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 ZINC000004369992 256872525 /nfs/dbraw/zinc/87/25/25/256872525.db2.gz ROENYRHGHDRWLQ-ZFCANOHDSA-N 0 0 298.426 4.429 10 0 CIAERN Cc1cc(O)ccc1NCc1ccc(C(C)C)cc1 ZINC000080360070 177645420 /nfs/dbraw/zinc/64/54/20/177645420.db2.gz TUODFGNNBOFYQF-UHFFFAOYSA-N 0 0 255.361 4.436 10 0 CIAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC000001038897 169686900 /nfs/dbraw/zinc/68/69/00/169686900.db2.gz PPOIDZGFAOGDMF-DXCKQFNASA-N 0 0 291.822 4.285 10 0 CIAERN COC[C@@H](C)C(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000171427549 335065652 /nfs/dbraw/zinc/06/56/52/335065652.db2.gz YEHRJRQQCRTJHM-CQSZACIVSA-N 0 0 299.370 4.008 10 0 CIAERN C[C@@H]1CCc2ccccc2N1CC(=O)c1cccc(Cl)c1 ZINC000035037125 134787535 /nfs/dbraw/zinc/78/75/35/134787535.db2.gz GEHZHJNSASYSOT-CYBMUJFWSA-N 0 0 299.801 4.364 10 0 CIAERN C[C@H](O)c1ccccc1N1c2ccccc2CC[C@@H]1C ZINC000035650437 134801355 /nfs/dbraw/zinc/80/13/55/134801355.db2.gz JLZLIYLXYGEXSD-KBPBESRZSA-N 0 0 267.372 4.213 10 0 CIAERN Cc1nn(Cc2ccc(Cl)cc2)c(N)c1-c1ccccc1 ZINC000003093705 169854690 /nfs/dbraw/zinc/85/46/90/169854690.db2.gz MZULWSHTSJJVKP-UHFFFAOYSA-N 0 0 297.789 4.142 10 0 CIAERN CCC[C@@H]1CO[C@@](C)(c2ccc(Cl)cc2Cl)O1 ZINC000003107621 169856624 /nfs/dbraw/zinc/85/66/24/169856624.db2.gz ZOVODRUFYPBAKW-ZWNOBZJWSA-N 0 0 275.175 4.382 10 0 CIAERN Cc1c2nc(NC(=O)C(C)(C)C)sc2ccc1Cl ZINC000004331274 169958512 /nfs/dbraw/zinc/95/85/12/169958512.db2.gz YCWKUTQPYFJFEI-UHFFFAOYSA-N 0 0 282.796 4.243 10 0 CIAERN Cc1ccn2cc(C34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000004864311 170032924 /nfs/dbraw/zinc/03/29/24/170032924.db2.gz QGDBFZRLIMUGCI-UHFFFAOYSA-N 0 0 266.388 4.111 10 0 CIAERN CC(C)[C@H]1CC[C@@H](O)[C@H](C(C)(C)c2ccccc2)C1 ZINC000004976985 170048194 /nfs/dbraw/zinc/04/81/94/170048194.db2.gz ZJHNUUVRRFRSFM-USXIJHARSA-N 0 0 260.421 4.397 10 0 CIAERN O=Nc1c(-c2ccccc2Cl)nc2sccn12 ZINC000005117315 170067701 /nfs/dbraw/zinc/06/77/01/170067701.db2.gz GCIBRMRGQABZJF-UHFFFAOYSA-N 0 0 263.709 4.114 10 0 CIAERN O=Nc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000005117218 170067815 /nfs/dbraw/zinc/06/78/15/170067815.db2.gz ZDQMYXXOUIFQQE-UHFFFAOYSA-N 0 0 263.709 4.114 10 0 CIAERN CCNc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000005139769 170070374 /nfs/dbraw/zinc/07/03/74/170070374.db2.gz AWAAHDPOYMRMOQ-UHFFFAOYSA-N 0 0 256.280 4.066 10 0 CIAERN CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000005260002 170080683 /nfs/dbraw/zinc/08/06/83/170080683.db2.gz PSDDCESXPYKPGZ-CYBMUJFWSA-N 0 0 289.400 4.001 10 0 CIAERN Cc1ccc(CC(=O)Nc2nc3ccccc3s2)c(C)c1 ZINC000005267953 170081131 /nfs/dbraw/zinc/08/11/31/170081131.db2.gz DTSAEFJFCDKMHD-UHFFFAOYSA-N 0 0 296.395 4.094 10 0 CIAERN Cc1nc2cc(Cl)c(Cl)cc2n1-c1ccccn1 ZINC000005286027 170083106 /nfs/dbraw/zinc/08/31/06/170083106.db2.gz KAUVHQUSSNNZJC-UHFFFAOYSA-N 0 0 278.142 4.036 10 0 CIAERN CCCC[C@H](C(=O)c1ccccc1)n1nnc2ccccc21 ZINC000005309929 170084789 /nfs/dbraw/zinc/08/47/89/170084789.db2.gz HDPIKYYMHMIOKL-QGZVFWFLSA-N 0 0 293.370 4.046 10 0 CIAERN CCCCCOC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000005418671 170097295 /nfs/dbraw/zinc/09/72/95/170097295.db2.gz QDOGEOXUAFEVEH-UHFFFAOYSA-N 0 0 291.391 4.018 10 0 CIAERN Cc1ccccc1[C@@H](c1ccccc1)n1nnc2ccccc21 ZINC000005422785 170097584 /nfs/dbraw/zinc/09/75/84/170097584.db2.gz YLFWRJUJNKYFQW-HXUWFJFHSA-N 0 0 299.377 4.377 10 0 CIAERN Cc1ccccc1[C@H](c1ccccc1)n1nnc2ccccc21 ZINC000005422876 170097617 /nfs/dbraw/zinc/09/76/17/170097617.db2.gz YLFWRJUJNKYFQW-FQEVSTJZSA-N 0 0 299.377 4.377 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2C)cc1 ZINC000005529136 170108910 /nfs/dbraw/zinc/10/89/10/170108910.db2.gz YMTOOBBUJCYQPD-RZXPCSSPSA-N 0 0 271.404 4.224 10 0 CIAERN Cc1cccc(Nc2nnc(Cl)c3ccccc32)c1 ZINC000005588280 170116576 /nfs/dbraw/zinc/11/65/76/170116576.db2.gz ALRBCJMYTYRPIZ-UHFFFAOYSA-N 0 0 269.735 4.335 10 0 CIAERN CC(C)(C)c1ccc(OC(=O)c2cccc(F)c2)cc1 ZINC000005642409 170123339 /nfs/dbraw/zinc/12/33/39/170123339.db2.gz NDUWDAVVGOAWAW-UHFFFAOYSA-N 0 0 272.319 4.342 10 0 CIAERN CCCOC(=O)CCCCCCCCC(=O)OCCC ZINC000005647942 170123929 /nfs/dbraw/zinc/12/39/29/170123929.db2.gz UHGPEWTZABDZCE-UHFFFAOYSA-N 0 0 286.412 4.014 10 0 CIAERN CC[C@H](C(=O)n1cnc2cc(C)c(C)cc21)c1ccccc1 ZINC000005663751 170125396 /nfs/dbraw/zinc/12/53/96/170125396.db2.gz HOQGIRWDLPMTGV-INIZCTEOSA-N 0 0 292.382 4.487 10 0 CIAERN Cc1c(-c2ccccc2)nn(C)c1-c1ccc(C)cc1 ZINC000005753133 170136937 /nfs/dbraw/zinc/13/69/37/170136937.db2.gz MWYSJWRJSHSVMO-UHFFFAOYSA-N 0 0 262.356 4.371 10 0 CIAERN Clc1nnc(NC2CCCCC2)c2ccccc12 ZINC000005776979 170139623 /nfs/dbraw/zinc/13/96/23/170139623.db2.gz MVXFVUZGGHPXKW-UHFFFAOYSA-N 0 0 261.756 4.028 10 0 CIAERN CCc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000005809707 170142195 /nfs/dbraw/zinc/14/21/95/170142195.db2.gz ATPLLJHVRJWGIN-KHPPLWFESA-N 0 0 298.382 4.445 10 0 CIAERN CC(C)(C)c1ccc(/C=C\C(=O)NC2CCCC2)cc1 ZINC000005856721 170147663 /nfs/dbraw/zinc/14/76/63/170147663.db2.gz HSGZDXJZWKAVDQ-RAXLEYEMSA-N 0 0 271.404 4.056 10 0 CIAERN Cc1ccc(CSc2nc3ccc(N)cc3s2)cc1 ZINC000005935720 170157479 /nfs/dbraw/zinc/15/74/79/170157479.db2.gz HVWPFYJVRVJLSY-UHFFFAOYSA-N 0 0 286.425 4.479 10 0 CIAERN O=C(CCC1CCCCC1)n1cnc2ccccc21 ZINC000005942387 170160081 /nfs/dbraw/zinc/16/00/81/170160081.db2.gz XJZQCDNZSHVXJS-UHFFFAOYSA-N 0 0 256.349 4.037 10 0 CIAERN CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(N)c3[C@H](C1)C2 ZINC000006041665 170171023 /nfs/dbraw/zinc/17/10/23/170171023.db2.gz UKCBMHDZLYYTMI-WDEREUQCSA-N 0 0 284.790 4.466 10 0 in-vivo CIAERN Cc1nnc(NCc2cccc(Cl)c2)c2ccccc12 ZINC000006084612 170174647 /nfs/dbraw/zinc/17/46/47/170174647.db2.gz YQKTYSRKOSXEDR-UHFFFAOYSA-N 0 0 283.762 4.204 10 0 CIAERN O=C(CSc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000006092119 170175352 /nfs/dbraw/zinc/17/53/52/170175352.db2.gz ZWAIUJCZMIYEQK-UHFFFAOYSA-N 0 0 289.105 4.217 10 0 CIAERN Fc1cccc2c(NCCc3ccccc3)ccnc12 ZINC000006096202 170176382 /nfs/dbraw/zinc/17/63/82/170176382.db2.gz VZEXXLSTHRPQAA-UHFFFAOYSA-N 0 0 266.319 4.029 10 0 CIAERN CCc1cccc(C)c1NC(=O)CCOc1ccc(C)cc1 ZINC000006152533 170179463 /nfs/dbraw/zinc/17/94/63/170179463.db2.gz NRMWLUVUKKADDP-UHFFFAOYSA-N 0 0 297.398 4.273 10 0 CIAERN CC(=O)c1ccc(-c2ccc(Cl)c(F)c2)s1 ZINC000006159106 170179821 /nfs/dbraw/zinc/17/98/21/170179821.db2.gz RIVSRLIQKLEYME-UHFFFAOYSA-N 0 0 254.713 4.410 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1c(C)cccc1C ZINC000006207609 170183068 /nfs/dbraw/zinc/18/30/68/170183068.db2.gz AQAIQHHHWKLBQM-NTCAYCPXSA-N 0 0 265.356 4.345 10 0 CIAERN Cc1ccc2nc(-c3nc4ccccc4s3)oc2c1 ZINC000006279283 170188284 /nfs/dbraw/zinc/18/82/84/170188284.db2.gz XEEHIYVDRZULRH-UHFFFAOYSA-N 0 0 266.325 4.413 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)NCc1ccccc1Cl ZINC000006295466 170189225 /nfs/dbraw/zinc/18/92/25/170189225.db2.gz NEOVHENOPGIXFQ-ACCUITESSA-N 0 0 285.774 4.060 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000006301696 170189416 /nfs/dbraw/zinc/18/94/16/170189416.db2.gz RDRUZYBEIJPRSQ-VAWYXSNFSA-N 0 0 271.747 4.382 10 0 CIAERN O=C(/C=C/c1c(Cl)cccc1Cl)N1CCCCCC1 ZINC000006328793 170191778 /nfs/dbraw/zinc/19/17/78/170191778.db2.gz YRSZUTDRQIGXAD-CMDGGOBGSA-N 0 0 298.213 4.409 10 0 CIAERN CC(C)c1ccc(-c2cc(O)cc3sc(=O)oc32)cc1 ZINC000006365184 170195632 /nfs/dbraw/zinc/19/56/32/170195632.db2.gz LSRXVOMKCWNVPA-UHFFFAOYSA-N 0 0 286.352 4.351 10 0 CIAERN Nc1ccccc1NC(=O)Nc1cccc2ccccc21 ZINC000006403003 170198647 /nfs/dbraw/zinc/19/86/47/170198647.db2.gz HDVMKMFPLUMHQV-UHFFFAOYSA-N 0 0 277.327 4.066 10 0 CIAERN CCSc1ccccc1C(=O)N1CCCC[C@@H]1CC ZINC000006450021 170202173 /nfs/dbraw/zinc/20/21/73/170202173.db2.gz VZLWRYKJQFWQSE-ZDUSSCGKSA-N 0 0 277.433 4.203 10 0 CIAERN O=[S@@]1c2ccccc2SN1C1CCCCCCC1 ZINC000006583351 170215801 /nfs/dbraw/zinc/21/58/01/170215801.db2.gz YKQIIIBMOQSGJD-SFHVURJKSA-N 0 0 281.446 4.145 10 0 CIAERN O=c1cc(-c2ccccc2)oc2c(Cl)cccc12 ZINC000006582529 170215876 /nfs/dbraw/zinc/21/58/76/170215876.db2.gz LYCLFRBHWQNOOR-UHFFFAOYSA-N 0 0 256.688 4.113 10 0 CIAERN c1ccc(-c2ccc(CNc3ccccn3)cc2)cc1 ZINC000006582619 170215903 /nfs/dbraw/zinc/21/59/03/170215903.db2.gz ZJASERVWIGKVLD-UHFFFAOYSA-N 0 0 260.340 4.361 10 0 CIAERN Cc1cc(C)c(-c2nc3cc(N)ccc3o2)c(C)c1 ZINC000006688256 170226433 /nfs/dbraw/zinc/22/64/33/170226433.db2.gz ZKVAEZMDSLIAHY-UHFFFAOYSA-N 0 0 252.317 4.002 10 0 CIAERN Cc1ccc(/C=C/C(=O)Oc2ccc(C)cc2C)cc1 ZINC000006844918 170248335 /nfs/dbraw/zinc/24/83/35/170248335.db2.gz MWCPSDSRGLXUID-PKNBQFBNSA-N 0 0 266.340 4.231 10 0 CIAERN CC(C)c1cccc(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000007047147 170263872 /nfs/dbraw/zinc/26/38/72/170263872.db2.gz AFMDRBDYOWTMFR-UHFFFAOYSA-N 0 0 296.395 4.172 10 0 CIAERN Cc1c2ccccc2sc1C(=O)NC1CCCCC1 ZINC000007401891 170283050 /nfs/dbraw/zinc/28/30/50/170283050.db2.gz QUHGGCHBRFPKJQ-UHFFFAOYSA-N 0 0 273.401 4.272 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(C)cc1C ZINC000007610170 170293750 /nfs/dbraw/zinc/29/37/50/170293750.db2.gz ZYFIWGANRRLHLS-ZRDIBKRKSA-N 0 0 295.382 4.354 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1 ZINC000007650079 170295318 /nfs/dbraw/zinc/29/53/18/170295318.db2.gz HYRIEWPRPBZSDD-UHFFFAOYSA-N 0 0 283.371 4.282 10 0 CIAERN CC(C)COc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000007650063 170295331 /nfs/dbraw/zinc/29/53/31/170295331.db2.gz PAUQZTIKQLERDZ-UHFFFAOYSA-N 0 0 297.398 4.293 10 0 CIAERN CCCOc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000007660170 170296697 /nfs/dbraw/zinc/29/66/97/170296697.db2.gz VYSKQEVJZVSENA-MDWZMJQESA-N 0 0 281.355 4.127 10 0 CIAERN CC(C)CNc1nc(-c2ccccc2F)cs1 ZINC000007844365 170305019 /nfs/dbraw/zinc/30/50/19/170305019.db2.gz MKPXOBQZOZHKBN-UHFFFAOYSA-N 0 0 250.342 4.017 10 0 CIAERN COc1ccc(NC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000008369777 170333421 /nfs/dbraw/zinc/33/34/21/170333421.db2.gz SBZHQCZZNFTFKC-CQSZACIVSA-N 0 0 298.386 4.195 10 0 CIAERN O=C(Nc1cccc(O)c1)c1ccc(-c2cccs2)cc1 ZINC000008513274 170338698 /nfs/dbraw/zinc/33/86/98/170338698.db2.gz GVHZDJHBSNMJLA-UHFFFAOYSA-N 0 0 295.363 4.373 10 0 CIAERN O=C(Nc1ccccc1O)c1cccc(-c2cccs2)c1 ZINC000008515726 170338915 /nfs/dbraw/zinc/33/89/15/170338915.db2.gz DQCFHNOPFOXHMA-UHFFFAOYSA-N 0 0 295.363 4.373 10 0 CIAERN COc1ccc(-c2c(C)sc3[nH]cnc(=S)c32)cc1 ZINC000008536144 170339035 /nfs/dbraw/zinc/33/90/35/170339035.db2.gz LCPVVFOTXFLQFS-UHFFFAOYSA-N 0 0 288.397 4.338 10 0 CIAERN COc1ccc(-c2c(C)sc3ncnc(Cl)c32)cc1 ZINC000008536165 170339364 /nfs/dbraw/zinc/33/93/64/170339364.db2.gz GHBJLKKNQHHYMV-UHFFFAOYSA-N 0 0 290.775 4.329 10 0 CIAERN Cc1ccc(C2=NN[C@H](c3ccccc3Cl)C2)cc1 ZINC000008550052 170339433 /nfs/dbraw/zinc/33/94/33/170339433.db2.gz CMHDVYMEYAONCR-INIZCTEOSA-N 0 0 270.763 4.087 10 0 CIAERN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2)cc1 ZINC000008550524 170339751 /nfs/dbraw/zinc/33/97/51/170339751.db2.gz MAMMNSXUWMEVIN-OAHLLOKOSA-N 0 0 270.763 4.087 10 0 CIAERN Cc1ccc(-c2nc(Br)c3ccccn32)cc1 ZINC000008550629 170339964 /nfs/dbraw/zinc/33/99/64/170339964.db2.gz VUASFHVLNJAXFR-UHFFFAOYSA-N 0 0 287.160 4.072 10 0 CIAERN CC(C)(C)c1ccc(C(=O)OCc2ccccc2)cc1 ZINC000008557430 170340212 /nfs/dbraw/zinc/34/02/12/170340212.db2.gz MMBMTMVOOCWMMK-UHFFFAOYSA-N 0 0 268.356 4.341 10 0 CIAERN Cc1ccc2n1CCN(C(=O)Nc1ccccc1)[C@@H]2C(C)C ZINC000009528320 170380440 /nfs/dbraw/zinc/38/04/40/170380440.db2.gz HXQSYEZXBFPFRN-QGZVFWFLSA-N 0 0 297.402 4.041 10 0 CIAERN CC(C)CCOc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000009784038 170385736 /nfs/dbraw/zinc/38/57/36/170385736.db2.gz DDODDFJPAJZMJD-UHFFFAOYSA-N 0 0 279.380 4.459 10 0 CIAERN Cc1nc2ccccc2cc1C(=O)N[C@H](C)c1cccs1 ZINC000010085627 170397231 /nfs/dbraw/zinc/39/72/31/170397231.db2.gz OMCIBNONDNKNND-GFCCVEGCSA-N 0 0 296.395 4.096 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1ncnc2ccsc21 ZINC000011010352 170414336 /nfs/dbraw/zinc/41/43/36/170414336.db2.gz YYWRTXOQLUAKLW-LLVKDONJSA-N 0 0 269.373 4.173 10 0 CIAERN Cc1cccc(C(=O)c2ccc3c(c2)CCCC3)c1 ZINC000011631565 170429303 /nfs/dbraw/zinc/42/93/03/170429303.db2.gz TYTFMARESIJQLT-UHFFFAOYSA-N 0 0 250.341 4.105 10 0 CIAERN Cc1cc(C)cc(OCCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000011637482 170430211 /nfs/dbraw/zinc/43/02/11/170430211.db2.gz RHRJIFBOOPGYQG-UHFFFAOYSA-N 0 0 297.398 4.328 10 0 CIAERN COc1cc(/C=C\c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000013607895 170568696 /nfs/dbraw/zinc/56/86/96/170568696.db2.gz ZGOBORRGHGZSOO-HJWRWDBZSA-N 0 0 298.382 4.500 10 0 CIAERN C[C@]12CC[C@H]3[C@@H](CC=C4C=CCC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000013737746 170584724 /nfs/dbraw/zinc/58/47/24/170584724.db2.gz UDTLPVXKKHGQBG-DYKIIFRCSA-N 0 0 272.432 4.476 10 0 CIAERN CC(C)(C)C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000014783554 170645306 /nfs/dbraw/zinc/64/53/06/170645306.db2.gz YRMCQNGQOOKVDY-UHFFFAOYSA-N 0 0 283.371 4.250 10 0 CIAERN Brc1ccc2c(c1)CCC21SCCS1 ZINC000015042557 170655459 /nfs/dbraw/zinc/65/54/59/170655459.db2.gz NSSMXQPJRCDBDP-UHFFFAOYSA-N 0 0 287.247 4.028 10 0 CIAERN Nc1cc(C(=O)Nc2cccc3ccccc32)ccc1Cl ZINC000019270785 170766686 /nfs/dbraw/zinc/76/66/86/170766686.db2.gz ARRFEQJHRSWJLM-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN CCCCC1CCC(C(=O)Nc2cc(N)ccc2F)CC1 ZINC000019401552 170785230 /nfs/dbraw/zinc/78/52/30/170785230.db2.gz WCCNIANQEFNCGF-UHFFFAOYSA-N 0 0 292.398 4.343 10 0 CIAERN Fc1ccc(-c2nc(Cl)c3ccccc3n2)c(F)c1 ZINC000019803854 170872925 /nfs/dbraw/zinc/87/29/25/170872925.db2.gz FHUQUHWYLBUQDY-UHFFFAOYSA-N 0 0 276.673 4.228 10 0 CIAERN CC(C)c1ccccc1OCc1ccccc1C(N)=S ZINC000019806154 170875283 /nfs/dbraw/zinc/87/52/83/170875283.db2.gz YXUNRXBPOGEVIC-UHFFFAOYSA-N 0 0 285.412 4.023 10 0 CIAERN CC(=O)c1c(F)cccc1Oc1ccc(C)cc1C ZINC000019871438 170901959 /nfs/dbraw/zinc/90/19/59/170901959.db2.gz WKNUKCFRUNCZEC-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN CC(=O)c1ccc(Sc2nc3ccccc3o2)cc1 ZINC000019871844 170902322 /nfs/dbraw/zinc/90/23/22/170902322.db2.gz MHBHZTKGMGHLMD-UHFFFAOYSA-N 0 0 269.325 4.182 10 0 CIAERN COc1cc([C@@H](C)Nc2ccc(C)cc2C)ccc1O ZINC000019877489 170906032 /nfs/dbraw/zinc/90/60/32/170906032.db2.gz LJQYLODWAJVEKR-CYBMUJFWSA-N 0 0 271.360 4.191 10 0 CIAERN c1ccc(-c2ccccc2NCc2cccnc2)cc1 ZINC000019901699 170913710 /nfs/dbraw/zinc/91/37/10/170913710.db2.gz PFHHLLHTNOYXIA-UHFFFAOYSA-N 0 0 260.340 4.361 10 0 CIAERN COc1cccc([C@@H](C)Nc2cccc3ncccc32)c1 ZINC000019906851 170919131 /nfs/dbraw/zinc/91/91/31/170919131.db2.gz ONXFUVUDAUJVBE-CYBMUJFWSA-N 0 0 278.355 4.417 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cccc3ncccc32)o1 ZINC000019906849 170919140 /nfs/dbraw/zinc/91/91/40/170919140.db2.gz XIQDGCSXSRFVLW-GFCCVEGCSA-N 0 0 252.317 4.309 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccc(F)c(F)c2F)cc1F ZINC000019907736 170919514 /nfs/dbraw/zinc/91/95/14/170919514.db2.gz URWHFUFRENMKKC-MRVPVSSYSA-N 0 0 299.267 4.425 10 0 CIAERN CC[C@H](Nc1ccc(F)c(F)c1F)c1ccc(O)cc1 ZINC000019907658 170919567 /nfs/dbraw/zinc/91/95/67/170919567.db2.gz OSZJCBWZFFGNNT-LBPRGKRZSA-N 0 0 281.277 4.373 10 0 CIAERN C[C@H](Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000019907834 170919903 /nfs/dbraw/zinc/91/99/03/170919903.db2.gz MPYHHYCCSYSSHQ-VIFPVBQESA-N 0 0 251.251 4.277 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)OCCO3)cc1C ZINC000019916309 170925522 /nfs/dbraw/zinc/92/55/22/170925522.db2.gz VPIXZBQNYNWPKH-CQSZACIVSA-N 0 0 283.371 4.248 10 0 CIAERN Cc1nc([C@H](N)c2ccc(Cl)c(Cl)c2)sc1C ZINC000019931437 170930655 /nfs/dbraw/zinc/93/06/55/170930655.db2.gz BKYIMMRCDSGWTD-LLVKDONJSA-N 0 0 287.215 4.115 10 0 CIAERN CC[C@@H](Nc1cc(F)ccc1C)c1ccc(O)cc1 ZINC000019953526 170940635 /nfs/dbraw/zinc/94/06/35/170940635.db2.gz MVTGCNOYNGFLKI-OAHLLOKOSA-N 0 0 259.324 4.403 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccccc2C)cc1OC ZINC000019965101 170946607 /nfs/dbraw/zinc/94/66/07/170946607.db2.gz SQZGCOXNJFKDGO-CYBMUJFWSA-N 0 0 271.360 4.185 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(C(C)=O)cc1F ZINC000019997432 170964580 /nfs/dbraw/zinc/96/45/80/170964580.db2.gz DJUVDBKZXQHGMF-IUODEOHRSA-N 0 0 264.340 4.376 10 0 CIAERN Clc1cccc(CNCc2nc3ccccc3s2)c1 ZINC000020136274 171023611 /nfs/dbraw/zinc/02/36/11/171023611.db2.gz QTBJSDYVPINKNU-UHFFFAOYSA-N 0 0 288.803 4.240 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccc3oc(C)nc3c2)o1 ZINC000020144075 171029489 /nfs/dbraw/zinc/02/94/89/171029489.db2.gz RQELPTDCMBBUEH-JTQLQIEISA-N 0 0 256.305 4.211 10 0 CIAERN Cc1nc([C@H](C)N[C@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148087 171036011 /nfs/dbraw/zinc/03/60/11/171036011.db2.gz SNWGDSZBLZTDRW-ZJUUUORDSA-N 0 0 278.396 4.311 10 0 CIAERN Oc1cccc(NCc2ccccc2C(F)(F)F)c1 ZINC000020193066 171059139 /nfs/dbraw/zinc/05/91/39/171059139.db2.gz BUWHBVUABCTDFZ-UHFFFAOYSA-N 0 0 267.250 4.023 10 0 CIAERN Oc1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000020193716 171059567 /nfs/dbraw/zinc/05/95/67/171059567.db2.gz VGOBPCRQSULBPQ-AWEZNQCLSA-N 0 0 257.358 4.041 10 0 CIAERN Cc1c(N)cccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000020194650 171060029 /nfs/dbraw/zinc/06/00/29/171060029.db2.gz AJHVHKZOEODZAO-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1cc(F)ccc1NCc1ccc2ccccc2n1 ZINC000020246320 171099244 /nfs/dbraw/zinc/09/92/44/171099244.db2.gz VUVMIJHRTTWDON-UHFFFAOYSA-N 0 0 266.319 4.294 10 0 CIAERN Fc1ccc(NCc2ccc3ccccc3n2)c(F)c1 ZINC000020246302 171099609 /nfs/dbraw/zinc/09/96/09/171099609.db2.gz SFQZYYKAAJYXQX-UHFFFAOYSA-N 0 0 270.282 4.125 10 0 CIAERN CC(=O)c1ccccc1Oc1cccc2cccnc21 ZINC000020297131 171137707 /nfs/dbraw/zinc/13/77/07/171137707.db2.gz GEPYMSUIBOPIPI-UHFFFAOYSA-N 0 0 263.296 4.230 10 0 CIAERN CCc1ccc(NC(=O)CCC2CCCCC2)cc1N ZINC000020344713 171153834 /nfs/dbraw/zinc/15/38/34/171153834.db2.gz NDALHIFKJVIWON-UHFFFAOYSA-N 0 0 274.408 4.130 10 0 CIAERN Cc1cccc(COc2ccc(C(F)(F)F)cc2N)c1 ZINC000020352050 171156314 /nfs/dbraw/zinc/15/63/14/171156314.db2.gz BUKKUKUHINDKKZ-UHFFFAOYSA-N 0 0 281.277 4.175 10 0 CIAERN Cc1nc(-c2ccc(NCc3cccn3C)cc2)cs1 ZINC000020360545 171158765 /nfs/dbraw/zinc/15/87/65/171158765.db2.gz CMZUYLWZXUQULG-UHFFFAOYSA-N 0 0 283.400 4.069 10 0 CIAERN Fc1cccc(F)c1NCc1ccccc1Br ZINC000020361225 171159276 /nfs/dbraw/zinc/15/92/76/171159276.db2.gz GKDUTNNZFUOMBV-UHFFFAOYSA-N 0 0 298.130 4.339 10 0 CIAERN CCOc1ccc(CNc2ccc(F)cc2Cl)cc1 ZINC000020361131 171159530 /nfs/dbraw/zinc/15/95/30/171159530.db2.gz WGWMNNAQAIQDGF-UHFFFAOYSA-N 0 0 279.742 4.490 10 0 CIAERN CSc1ccc(CNc2ccc(C)cc2F)cc1 ZINC000020361419 171160173 /nfs/dbraw/zinc/16/01/73/171160173.db2.gz DREYYISDEPUMJS-UHFFFAOYSA-N 0 0 261.365 4.468 10 0 CIAERN COc1ccc2c(C)c(C(=O)c3cccs3)oc2c1 ZINC000020362329 171161143 /nfs/dbraw/zinc/16/11/43/171161143.db2.gz PQGRPASDHAVOJV-UHFFFAOYSA-N 0 0 272.325 4.042 10 0 CIAERN CCOc1ccc(C(=O)c2oc3ccccc3c2C)cc1 ZINC000020362325 171161212 /nfs/dbraw/zinc/16/12/12/171161212.db2.gz KAUKFNIHBAZDLZ-UHFFFAOYSA-N 0 0 280.323 4.371 10 0 CIAERN N[C@H](c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000020369148 171166763 /nfs/dbraw/zinc/16/67/63/171166763.db2.gz DEKPTXKDBJCFSI-HNNXBMFYSA-N 0 0 257.720 4.134 10 0 CIAERN N[C@H](c1cc2ccccc2o1)c1ccccc1Cl ZINC000020369132 171166893 /nfs/dbraw/zinc/16/68/93/171166893.db2.gz RBTJSIDIBROUON-HNNXBMFYSA-N 0 0 257.720 4.134 10 0 CIAERN CCc1ccc2oc([C@@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389460 171178430 /nfs/dbraw/zinc/17/84/30/171178430.db2.gz JQFDAXXWBAFKJG-KRWDZBQOSA-N 0 0 269.319 4.182 10 0 CIAERN Cc1cccc2cc([C@H](N)c3ccc(Cl)cc3)oc21 ZINC000020389214 171178450 /nfs/dbraw/zinc/17/84/50/171178450.db2.gz GJSWQBUJCHXBDH-OAHLLOKOSA-N 0 0 271.747 4.443 10 0 CIAERN COC(=O)c1ccc(Oc2ccc(C(C)C)cc2)cc1 ZINC000020391614 171180525 /nfs/dbraw/zinc/18/05/25/171180525.db2.gz PVQXWMABVQVFBZ-UHFFFAOYSA-N 0 0 270.328 4.389 10 0 CIAERN CC(C)[C@H](C)Nc1ccc(F)cc1Br ZINC000020430485 171194858 /nfs/dbraw/zinc/19/48/58/171194858.db2.gz IDMNWSQUJTUMBD-QMMMGPOBSA-N 0 0 260.150 4.045 10 0 CIAERN Fc1ccc(NC2CCCCC2)c(Br)c1 ZINC000020430362 171195153 /nfs/dbraw/zinc/19/51/53/171195153.db2.gz RTAFQLXFTBPFKI-UHFFFAOYSA-N 0 0 272.161 4.333 10 0 CIAERN CC(C)CCNc1ccc(F)cc1Br ZINC000020430577 171195425 /nfs/dbraw/zinc/19/54/25/171195425.db2.gz LIBZMTJQNZYUJC-UHFFFAOYSA-N 0 0 260.150 4.046 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1Br)c1cccnc1 ZINC000020430522 171195604 /nfs/dbraw/zinc/19/56/04/171195604.db2.gz QUILCYPGYYTVEY-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1CO ZINC000020435193 171200844 /nfs/dbraw/zinc/20/08/44/171200844.db2.gz GQKDFKFPEUCOSI-BXUZGUMPSA-N 0 0 268.784 4.180 10 0 CIAERN CC[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1CO ZINC000020435191 171200965 /nfs/dbraw/zinc/20/09/65/171200965.db2.gz GQKDFKFPEUCOSI-RISCZKNCSA-N 0 0 268.784 4.180 10 0 CIAERN CC[C@@H](C)c1ccccc1Oc1ccccc1CO ZINC000020435446 171201233 /nfs/dbraw/zinc/20/12/33/171201233.db2.gz PDNPKLLJBSYLFX-CYBMUJFWSA-N 0 0 256.345 4.485 10 0 CIAERN OCc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000020435296 171201275 /nfs/dbraw/zinc/20/12/75/171201275.db2.gz LVWNWXZQERPTQY-UHFFFAOYSA-N 0 0 287.117 4.417 10 0 CIAERN CCOc1ccccc1Oc1cccc(Cl)c1CO ZINC000020435318 171201461 /nfs/dbraw/zinc/20/14/61/171201461.db2.gz SQRODKPKSXAPEV-UHFFFAOYSA-N 0 0 278.735 4.023 10 0 CIAERN Cc1cc([C@@H](C)Nc2ccc(F)cc2F)c(C)o1 ZINC000020438306 171202906 /nfs/dbraw/zinc/20/29/06/171202906.db2.gz HILWPOMFSPGMEO-SECBINFHSA-N 0 0 251.276 4.348 10 0 CIAERN Cc1cc(Cl)cc(C)c1Oc1ccc(N)cc1F ZINC000020474898 171219191 /nfs/dbraw/zinc/21/91/91/171219191.db2.gz USRRPHJNNSZIHY-UHFFFAOYSA-N 0 0 265.715 4.470 10 0 CIAERN Cc1cc(OCc2ccc(C(C)C)cc2)ccc1N ZINC000020475694 171219870 /nfs/dbraw/zinc/21/98/70/171219870.db2.gz MSXRIRAAEVNLJU-UHFFFAOYSA-N 0 0 255.361 4.280 10 0 CIAERN COc1cccc([C@H](C)Nc2c(F)cccc2F)c1 ZINC000020476215 171220481 /nfs/dbraw/zinc/22/04/81/171220481.db2.gz ADZMAXSLMATVKB-JTQLQIEISA-N 0 0 263.287 4.147 10 0 CIAERN C[C@@H]1C[C@@H](Oc2ccc(F)cc2N)CC(C)(C)C1 ZINC000020506935 171229029 /nfs/dbraw/zinc/22/90/29/171229029.db2.gz ITSUWMBTHKBGRM-ZYHUDNBSSA-N 0 0 251.345 4.002 10 0 CIAERN C[C@@H]1C[C@@H](OCc2ccc(Cl)nc2)CC(C)(C)C1 ZINC000020513750 171231517 /nfs/dbraw/zinc/23/15/17/171231517.db2.gz PKULCGDPKZRJOA-DGCLKSJQSA-N 0 0 267.800 4.466 10 0 CIAERN CCCCCC[C@@H](C)Oc1ccc(C=O)cc1F ZINC000020517115 171232603 /nfs/dbraw/zinc/23/26/03/171232603.db2.gz FDHKNMRYLUDCCD-GFCCVEGCSA-N 0 0 252.329 4.376 10 0 CIAERN CCCCCCOc1nc2ccccc2cc1C=O ZINC000020517201 171232911 /nfs/dbraw/zinc/23/29/11/171232911.db2.gz FMZNXQZDSBEAME-UHFFFAOYSA-N 0 0 257.333 4.006 10 0 CIAERN Nc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000020521689 171235258 /nfs/dbraw/zinc/23/52/58/171235258.db2.gz NAJBAAXXJQLOKT-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN Cc1ccc(C(C)(C)C)c(Oc2ccncc2N)c1 ZINC000020523673 171236097 /nfs/dbraw/zinc/23/60/97/171236097.db2.gz ZKTBHTTVUQJDRG-UHFFFAOYSA-N 0 0 256.349 4.062 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(SC)cc1 ZINC000020524266 171237313 /nfs/dbraw/zinc/23/73/13/171237313.db2.gz SQGFWTMEGZSFMW-NSHDSACASA-N 0 0 253.411 4.024 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(C)cc1Cl ZINC000020524802 171237614 /nfs/dbraw/zinc/23/76/14/171237614.db2.gz NIXPGLOVCBWIMT-NSHDSACASA-N 0 0 255.789 4.264 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000020524796 171237776 /nfs/dbraw/zinc/23/77/76/171237776.db2.gz WBCPTWMLUDIDGG-VIFPVBQESA-N 0 0 259.752 4.095 10 0 CIAERN CC1(C)CC[C@H](Nc2cccnc2)c2ccccc21 ZINC000020525532 171238184 /nfs/dbraw/zinc/23/81/84/171238184.db2.gz NRQABKDPZGRXNC-INIZCTEOSA-N 0 0 252.361 4.306 10 0 CIAERN CC(C)c1nc2sc3c(c2c(Cl)n1)CCCC3 ZINC000020546750 171244494 /nfs/dbraw/zinc/24/44/94/171244494.db2.gz ZKCFYZIDLLFXJD-UHFFFAOYSA-N 0 0 266.797 4.347 10 0 CIAERN C[C@H](CCc1ccccc1)Nc1ccc(F)cc1F ZINC000020548203 171245352 /nfs/dbraw/zinc/24/53/52/171245352.db2.gz FNYKHHIKXJGTQT-GFCCVEGCSA-N 0 0 261.315 4.398 10 0 CIAERN Fc1ccc(N[C@H]2CCCc3ccccc32)cc1F ZINC000020550401 171246952 /nfs/dbraw/zinc/24/69/52/171246952.db2.gz YFLIIQIJZIZBKS-INIZCTEOSA-N 0 0 259.299 4.454 10 0 CIAERN CCN(c1ccccc1)c1ccc(N)c(C(F)(F)F)c1 ZINC000020552312 171247955 /nfs/dbraw/zinc/24/79/55/171247955.db2.gz FQGWFHWFYXTCAD-UHFFFAOYSA-N 0 0 280.293 4.446 10 0 CIAERN C[C@@H](CCc1ccccc1)Nc1cc(F)cc(F)c1 ZINC000020554117 171249175 /nfs/dbraw/zinc/24/91/75/171249175.db2.gz QLDFBBUSDFYDNW-LBPRGKRZSA-N 0 0 261.315 4.398 10 0 CIAERN CC[C@@H](C)[C@H](C)Nc1cccc(Br)c1 ZINC000020553884 171249291 /nfs/dbraw/zinc/24/92/91/171249291.db2.gz PPIHFNOZDNKQDM-ZJUUUORDSA-N 0 0 256.187 4.296 10 0 CIAERN COc1ccc2c(c1)CCC[C@H]2Nc1ccc(F)cc1F ZINC000020557833 171250606 /nfs/dbraw/zinc/25/06/06/171250606.db2.gz GTGZKAXQNRBWAT-MRXNPFEDSA-N 0 0 289.325 4.463 10 0 CIAERN COc1cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)c1 ZINC000020557751 171250865 /nfs/dbraw/zinc/25/08/65/171250865.db2.gz KQCHRTAOSREJQN-OCCSQVGLSA-N 0 0 277.408 4.331 10 0 CIAERN Cc1cc(F)ccc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000020559262 171251128 /nfs/dbraw/zinc/25/11/28/171251128.db2.gz VSPRMHMGIOBWRR-HZMBPMFUSA-N 0 0 259.324 4.463 10 0 CIAERN Cc1cc(F)ccc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000020559264 171251137 /nfs/dbraw/zinc/25/11/37/171251137.db2.gz VSPRMHMGIOBWRR-QMTHXVAHSA-N 0 0 259.324 4.463 10 0 CIAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc2c(c1)OCCO2 ZINC000020560648 171251993 /nfs/dbraw/zinc/25/19/93/171251993.db2.gz HMXQJNUACAYJEH-BPUTZDHNSA-N 0 0 289.419 4.331 10 0 CIAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1N ZINC000020562141 171252329 /nfs/dbraw/zinc/25/23/29/171252329.db2.gz YHIQROHFOUCDKR-GWCFXTLKSA-N 0 0 298.224 4.379 10 0 CIAERN CCCCC[C@@H](C)Nc1cc(OC)ccc1OC ZINC000020564177 171253065 /nfs/dbraw/zinc/25/30/65/171253065.db2.gz MSZUSVNORFHOFL-GFCCVEGCSA-N 0 0 251.370 4.085 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000020567497 171255005 /nfs/dbraw/zinc/25/50/05/171255005.db2.gz LRXMYVXBLMYIQO-KCJUWKMLSA-N 0 0 259.180 4.379 10 0 CIAERN Nc1ccc(Nc2ccc(F)c(F)c2F)c(Cl)c1 ZINC000020585180 171258599 /nfs/dbraw/zinc/25/85/99/171258599.db2.gz ALTXOMZDBCHZTH-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN Nc1cc(Cl)ccc1Nc1cccc(Cl)c1 ZINC000020585493 171258656 /nfs/dbraw/zinc/25/86/56/171258656.db2.gz LRUIWCGKRGPZSC-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccc(Cl)cc1 ZINC000020585504 171258750 /nfs/dbraw/zinc/25/87/50/171258750.db2.gz ANFZAGYZBJSDMQ-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN COc1ccc(Cl)cc1Nc1ccc(N)cc1Cl ZINC000020585383 171258816 /nfs/dbraw/zinc/25/88/16/171258816.db2.gz SOVBSLFFQKAOMY-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN Cc1ccc(Nc2ccc(N)cc2Cl)cc1F ZINC000020585657 171258894 /nfs/dbraw/zinc/25/88/94/171258894.db2.gz UFRZEDOQBWDSGA-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1ccc(Nc2ccccc2Cl)c(Cl)c1 ZINC000020585576 171258898 /nfs/dbraw/zinc/25/88/98/171258898.db2.gz HFKPMVGIHKWDFD-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Cc1ccc(Nc2c(N)cccc2Cl)c(F)c1 ZINC000020585792 171258966 /nfs/dbraw/zinc/25/89/66/171258966.db2.gz DCQCKMYPBLMTBW-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2N)c(F)c1 ZINC000020585791 171258993 /nfs/dbraw/zinc/25/89/93/171258993.db2.gz DONUCLPDELBMRX-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN CC(C)c1n[nH]c(=S)n1C1CCCCCCC1 ZINC000020589069 171260175 /nfs/dbraw/zinc/26/01/75/171260175.db2.gz LJWOSDACVFEAIJ-UHFFFAOYSA-N 0 0 253.415 4.349 10 0 CIAERN N[C@@H](c1cc2ccccc2o1)c1ccc(F)c(Cl)c1 ZINC000020592727 171261942 /nfs/dbraw/zinc/26/19/42/171261942.db2.gz XOLBVZQZTAUMKI-OAHLLOKOSA-N 0 0 275.710 4.273 10 0 CIAERN Cc1c2ccccc2oc1[C@@H](N)c1ccccc1Cl ZINC000020592928 171262624 /nfs/dbraw/zinc/26/26/24/171262624.db2.gz QHQUMEDWTSQIJK-HNNXBMFYSA-N 0 0 271.747 4.443 10 0 CIAERN Cc1ccsc1CNc1ccc(F)cc1Cl ZINC000020595185 171263915 /nfs/dbraw/zinc/26/39/15/171263915.db2.gz TYYGOPBLMFKGKY-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN C[C@H](Nc1ccc(F)cc1Cl)c1ccncc1 ZINC000020595099 171263919 /nfs/dbraw/zinc/26/39/19/171263919.db2.gz KCWVLHWUMIHTIO-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN CCOc1ccc(OCC)c(N[C@H](C)CC(C)C)c1 ZINC000021009712 171286221 /nfs/dbraw/zinc/28/62/21/171286221.db2.gz BOVIKUBRABLGNF-CYBMUJFWSA-N 0 0 265.397 4.331 10 0 CIAERN Cc1ccc(CNc2ccc3[nH]ccc3c2)c(C)c1 ZINC000021019229 171290093 /nfs/dbraw/zinc/29/00/93/171290093.db2.gz SWLUUKIIQNVCMZ-UHFFFAOYSA-N 0 0 250.345 4.397 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021028177 171291636 /nfs/dbraw/zinc/29/16/36/171291636.db2.gz QKPAWZXHMNJPGY-NSHDSACASA-N 0 0 291.297 4.490 10 0 CIAERN C[C@@H]1Cc2ccccc2N1c1ccc(Cl)cc1N ZINC000021038622 171292619 /nfs/dbraw/zinc/29/26/19/171292619.db2.gz QPYFMNQZJPGEPD-SNVBAGLBSA-N 0 0 258.752 4.005 10 0 CIAERN CCCCC[C@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021039014 171292856 /nfs/dbraw/zinc/29/28/56/171292856.db2.gz OKVGBVPACKFWOZ-ZDUSSCGKSA-N 0 0 263.381 4.229 10 0 CIAERN C[C@H]1Cc2ccccc2N1c1ccc(Cl)cc1N ZINC000021038629 171293136 /nfs/dbraw/zinc/29/31/36/171293136.db2.gz QPYFMNQZJPGEPD-JTQLQIEISA-N 0 0 258.752 4.005 10 0 CIAERN COc1ccc(N[C@H]2CCC[C@@H](C)C2)cc1Cl ZINC000021042756 171293686 /nfs/dbraw/zinc/29/36/86/171293686.db2.gz UCVZSSPHGQOFMU-MNOVXSKESA-N 0 0 253.773 4.339 10 0 CIAERN CCOc1ccc(CNc2cc(Cl)ccc2OC)cc1 ZINC000021046015 171294166 /nfs/dbraw/zinc/29/41/66/171294166.db2.gz VNQRFBHFPIRUNC-UHFFFAOYSA-N 0 0 291.778 4.359 10 0 CIAERN FC(F)(F)c1cccc(NC[C@H]2CC=CCC2)c1 ZINC000021047449 171294496 /nfs/dbraw/zinc/29/44/96/171294496.db2.gz GJEFCJYHXSNTNI-NSHDSACASA-N 0 0 255.283 4.474 10 0 CIAERN CCOc1cc(CNc2ccc(Cl)cc2C)ccc1O ZINC000021055732 171295711 /nfs/dbraw/zinc/29/57/11/171295711.db2.gz AQPCYRDKJATCKH-UHFFFAOYSA-N 0 0 291.778 4.365 10 0 CIAERN Cc1ccc(Cl)cc1Nc1ccccc1C(N)=S ZINC000021061103 171297189 /nfs/dbraw/zinc/29/71/89/171297189.db2.gz DGZCBALREMUGFC-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000021141945 171298009 /nfs/dbraw/zinc/29/80/09/171298009.db2.gz MDXRQWAMFLRWHB-UHFFFAOYSA-N 0 0 293.370 4.277 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)NCc2ccccc2F)cc1 ZINC000021269914 171300505 /nfs/dbraw/zinc/30/05/05/171300505.db2.gz FAOPOVOKPXHZRV-FMIVXFBMSA-N 0 0 297.373 4.279 10 0 CIAERN CCc1ccc([C@@H](C)Nc2cccc(OC)c2)cc1 ZINC000021502497 171306165 /nfs/dbraw/zinc/30/61/65/171306165.db2.gz KIXIPYLJWCIREX-CYBMUJFWSA-N 0 0 255.361 4.431 10 0 CIAERN Cc1ccc(O)c(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000021503583 171306879 /nfs/dbraw/zinc/30/68/79/171306879.db2.gz JFSXGWZZUZJLEW-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN Cc1cc(Oc2ccc(C=O)cc2F)ccc1Cl ZINC000021506717 171308019 /nfs/dbraw/zinc/30/80/19/171308019.db2.gz OFPAPEVULDVCJA-UHFFFAOYSA-N 0 0 264.683 4.392 10 0 CIAERN COc1cc(CNc2cccc(Cl)c2C)cc(OC)c1 ZINC000021508669 171309192 /nfs/dbraw/zinc/30/91/92/171309192.db2.gz JTUCHDMQQRLUKR-UHFFFAOYSA-N 0 0 291.778 4.278 10 0 CIAERN CCc1ccc([C@@H](C)Nc2ccccc2OC)cc1 ZINC000021510852 171310063 /nfs/dbraw/zinc/31/00/63/171310063.db2.gz CTAXHAWFDWFOMU-CYBMUJFWSA-N 0 0 255.361 4.431 10 0 CIAERN CCOc1ccc(N[C@@H](C)[C@H](C)CC)cc1OCC ZINC000021510692 171310076 /nfs/dbraw/zinc/31/00/76/171310076.db2.gz KAIOPGJMGSJNEN-OLZOCXBDSA-N 0 0 265.397 4.331 10 0 CIAERN COc1ccc(Cl)cc1NC[C@H]1CC=CCC1 ZINC000021513784 171311199 /nfs/dbraw/zinc/31/11/99/171311199.db2.gz YONLNFUWCHCOCC-NSHDSACASA-N 0 0 251.757 4.117 10 0 CIAERN C[C@H]1CCc2cccc(OCCc3ccccc3)c2N1 ZINC000021513680 171311461 /nfs/dbraw/zinc/31/14/61/171311461.db2.gz ZXFFBMAWCKNMBK-AWEZNQCLSA-N 0 0 267.372 4.055 10 0 CIAERN CC(C)c1ccc(NC(=O)c2ccc(Cl)cc2N)cc1 ZINC000021516086 171312287 /nfs/dbraw/zinc/31/22/87/171312287.db2.gz NNRPKEWRUPOXLN-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1ccc(Br)cc1F ZINC000021518073 171314277 /nfs/dbraw/zinc/31/42/77/171314277.db2.gz OMRHNQCAVFTHPX-RKDXNWHRSA-N 0 0 274.177 4.435 10 0 CIAERN CCN(c1ccccc1C)c1ccccc1C(C)=O ZINC000021519034 171314859 /nfs/dbraw/zinc/31/48/59/171314859.db2.gz LHPPWXWHBBJQGU-UHFFFAOYSA-N 0 0 253.345 4.356 10 0 CIAERN Cc1cccc(CNc2cccc3c2CCCC3)c1 ZINC000021792222 171324173 /nfs/dbraw/zinc/32/41/73/171324173.db2.gz BNPNPOOMOWABKX-UHFFFAOYSA-N 0 0 251.373 4.486 10 0 CIAERN COc1cc(CNc2ccccc2C(C)C)cc(OC)c1 ZINC000021799955 171325983 /nfs/dbraw/zinc/32/59/83/171325983.db2.gz AWXNGFNQVPRCTM-UHFFFAOYSA-N 0 0 285.387 4.439 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1c(N)cccc1Cl ZINC000021811712 171329356 /nfs/dbraw/zinc/32/93/56/171329356.db2.gz LZXJZUSGNIKLHO-ZWNOBZJWSA-N 0 0 253.773 4.270 10 0 CIAERN Fc1c(F)c(F)c(NC2CCCCC2)c(F)c1F ZINC000021811486 171329483 /nfs/dbraw/zinc/32/94/83/171329483.db2.gz JTZFSCANYPYJRK-UHFFFAOYSA-N 0 0 265.225 4.127 10 0 CIAERN CC(C)CC[C@@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021812549 171329969 /nfs/dbraw/zinc/32/99/69/171329969.db2.gz WZZIEGYALXJYJR-CYBMUJFWSA-N 0 0 263.381 4.085 10 0 CIAERN COc1ccc(OC)c(CNc2cc(Cl)ccc2C)c1 ZINC000021813691 171331130 /nfs/dbraw/zinc/33/11/30/171331130.db2.gz IQGKYQMHGLOEAS-UHFFFAOYSA-N 0 0 291.778 4.278 10 0 CIAERN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(C)c(C)c2)cc1 ZINC000021818528 171333764 /nfs/dbraw/zinc/33/37/64/171333764.db2.gz YDEVKWGSNNAULO-HNNXBMFYSA-N 0 0 282.387 4.051 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)c(O)c1 ZINC000021819783 171334132 /nfs/dbraw/zinc/33/41/32/171334132.db2.gz ZXKHSBAKJHMPQB-UHFFFAOYSA-N 0 0 269.344 4.076 10 0 CIAERN Cc1ccc(NC(=O)[C@H](C)Nc2cc(C)cc(C)c2)cc1 ZINC000021819584 171334135 /nfs/dbraw/zinc/33/41/35/171334135.db2.gz MYYCHLSOMQELDJ-HNNXBMFYSA-N 0 0 282.387 4.051 10 0 CIAERN Cc1ccc(N)c(-c2ccccc2OC(F)(F)F)c1 ZINC000021950672 171339281 /nfs/dbraw/zinc/33/92/81/171339281.db2.gz PCSGXFGNNVICTG-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN O=Cc1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000021950749 171339617 /nfs/dbraw/zinc/33/96/17/171339617.db2.gz ZONYHWULDAOBOZ-UHFFFAOYSA-N 0 0 268.209 4.324 10 0 CIAERN Nc1cc(Cl)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000021957343 171341676 /nfs/dbraw/zinc/34/16/76/171341676.db2.gz JTXFXHITKUKDHZ-UHFFFAOYSA-N 0 0 296.757 4.328 10 0 CIAERN Cc1cc2[nH]c([C@H](C)O)cc2c(OCc2ccccc2)c1 ZINC000021994886 171347342 /nfs/dbraw/zinc/34/73/42/171347342.db2.gz BBZSPQJBXXQTIL-ZDUSSCGKSA-N 0 0 281.355 4.109 10 0 CIAERN COc1cc(OC)cc(-c2cccc(Br)c2)c1 ZINC000021995036 171347370 /nfs/dbraw/zinc/34/73/70/171347370.db2.gz OCYLGECZVNTCFV-UHFFFAOYSA-N 0 0 293.160 4.133 10 0 CIAERN Cc1nc2cc(NCCCc3ccccc3)ccc2o1 ZINC000022149744 171357904 /nfs/dbraw/zinc/35/79/04/171357904.db2.gz YPGJWKPMAKONEL-UHFFFAOYSA-N 0 0 266.344 4.181 10 0 CIAERN COc1ccc(CNc2ccc(C(C)C)cc2)c(OC)c1 ZINC000022151325 171358402 /nfs/dbraw/zinc/35/84/02/171358402.db2.gz DOCPLBZENNKQQN-UHFFFAOYSA-N 0 0 285.387 4.439 10 0 CIAERN CCCC(CCC)Nc1cccc(NC(=O)CC)c1 ZINC000022150921 171358675 /nfs/dbraw/zinc/35/86/75/171358675.db2.gz MUNHORHXYADXPY-UHFFFAOYSA-N 0 0 262.397 4.416 10 0 CIAERN CCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000022335153 171385472 /nfs/dbraw/zinc/38/54/72/171385472.db2.gz KQLDUSCZMABOPD-SFHVURJKSA-N 0 0 299.801 4.224 10 0 CIAERN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1cccs1 ZINC000026243733 171476205 /nfs/dbraw/zinc/47/62/05/171476205.db2.gz LHZSKRINVXACAW-OLZOCXBDSA-N 0 0 288.416 4.212 10 0 CIAERN C[C@@H](c1ccc(O)cc1F)[C@H](C)c1ccc(O)cc1F ZINC000027896266 171537434 /nfs/dbraw/zinc/53/74/34/171537434.db2.gz MOCYAUILSPLTEP-AOOOYVTPSA-N 0 0 278.298 4.283 10 0 CIAERN CCCCc1ccc(Nc2nc(C)nc3[nH]ccc32)cc1 ZINC000027987647 171542520 /nfs/dbraw/zinc/54/25/20/171542520.db2.gz VIVPPLHSJCFLQP-UHFFFAOYSA-N 0 0 280.375 4.353 10 0 CIAERN Nc1ccc(-c2ccc(-c3ccc(N)cc3)s2)cc1 ZINC000028571226 171564965 /nfs/dbraw/zinc/56/49/65/171564965.db2.gz QUVIYFJRWXKEKM-UHFFFAOYSA-N 0 0 266.369 4.247 10 0 in-vivo CIAERN CSc1nc(Cl)cc(Nc2cccc(C)c2C)n1 ZINC000029393383 171596369 /nfs/dbraw/zinc/59/63/69/171596369.db2.gz NRMJORKWXBXRLJ-UHFFFAOYSA-N 0 0 279.796 4.212 10 0 CIAERN Cc1cc2cc(C)c(Br)nc2cc1Cl ZINC000032118372 171710508 /nfs/dbraw/zinc/71/05/08/171710508.db2.gz TXCHXPJOHLEHGJ-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN c1nn(-c2ccccc2)cc1-c1nc2ccccc2s1 ZINC000032891476 171757796 /nfs/dbraw/zinc/75/77/96/171757796.db2.gz XPWJMFUYRPAHRZ-UHFFFAOYSA-N 0 0 277.352 4.149 10 0 CIAERN O=Cc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000033428116 171795113 /nfs/dbraw/zinc/79/51/13/171795113.db2.gz JVLKRVBNVJFELH-UHFFFAOYSA-N 0 0 251.112 4.473 10 0 CIAERN CC[C@@](O)(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000034226874 171834960 /nfs/dbraw/zinc/83/49/60/171834960.db2.gz MLEGIAKNKUSAPL-OAHLLOKOSA-N 0 0 280.289 4.351 10 0 CIAERN CC(C)c1c(Cl)ncnc1N[C@@H](C)c1ccccc1 ZINC000034766976 171866316 /nfs/dbraw/zinc/86/63/16/171866316.db2.gz VZXUWSAWCGAUGL-NSHDSACASA-N 0 0 275.783 4.427 10 0 CIAERN Nc1nc(CSc2cc(Cl)ccc2Cl)cs1 ZINC000034936559 171896668 /nfs/dbraw/zinc/89/66/68/171896668.db2.gz PTWWRMAXPIZFSF-UHFFFAOYSA-N 0 0 291.228 4.324 10 0 CIAERN O=C(Cc1nc2ccccc2o1)c1ccc(Cl)cc1F ZINC000034940239 171899625 /nfs/dbraw/zinc/89/96/25/171899625.db2.gz HDNUWIWEXQGPQG-UHFFFAOYSA-N 0 0 289.693 4.046 10 0 CIAERN CC[C@H](C)c1noc(N)c1-c1cccc(Cl)c1 ZINC000034975944 171910225 /nfs/dbraw/zinc/91/02/25/171910225.db2.gz NZJQQUGYFSVUSP-QMMMGPOBSA-N 0 0 250.729 4.091 10 0 CIAERN C[C@@H]1C[C@H]1c1[nH]nc(N)c1-c1ccc(Cl)cc1Cl ZINC000034975877 171910493 /nfs/dbraw/zinc/91/04/93/171910493.db2.gz CCIIGGSOOZOVRR-HZGVNTEJSA-N 0 0 282.174 4.089 10 0 CIAERN C[C@@H](Sc1ccccc1F)C(=O)c1ccc(F)c(F)c1 ZINC000034980613 171912951 /nfs/dbraw/zinc/91/29/51/171912951.db2.gz ZFBXBXJKXXJOQI-SECBINFHSA-N 0 0 296.313 4.467 10 0 CIAERN COC(=O)c1ccc(Cl)cc1N[C@H](C)c1ccccc1 ZINC000035019155 171937946 /nfs/dbraw/zinc/93/79/46/171937946.db2.gz GXYLNBPTEYBROG-LLVKDONJSA-N 0 0 289.762 4.300 10 0 CIAERN CN(C)c1ccc(Cl)cc1NCc1ccccc1 ZINC000035045374 171949296 /nfs/dbraw/zinc/94/92/96/171949296.db2.gz OBVOTQRYMNSSGX-UHFFFAOYSA-N 0 0 260.768 4.018 10 0 CIAERN C[C@H](Nc1cc(Cl)ccc1F)c1cccc(O)c1 ZINC000035056662 171959870 /nfs/dbraw/zinc/95/98/70/171959870.db2.gz KFYHBZFLNYLICH-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN CC(C)(C)c1cccc(OCc2nnsc2Cl)c1 ZINC000035163620 172024714 /nfs/dbraw/zinc/02/47/14/172024714.db2.gz CBKZPWXMHCHUCY-UHFFFAOYSA-N 0 0 282.796 4.068 10 0 CIAERN COc1ccc(C)cc1CNc1ccc(OC(F)F)cc1 ZINC000035165116 172026540 /nfs/dbraw/zinc/02/65/40/172026540.db2.gz PASNUECGLXXHFZ-UHFFFAOYSA-N 0 0 293.313 4.217 10 0 CIAERN CC(C)(C)c1ccc(OCC(=O)c2ccccc2F)cc1 ZINC000035182098 172035351 /nfs/dbraw/zinc/03/53/51/172035351.db2.gz IYIADIXYADHDFF-UHFFFAOYSA-N 0 0 286.346 4.385 10 0 CIAERN CC[C@H](C)S[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182590 172036339 /nfs/dbraw/zinc/03/63/39/172036339.db2.gz CEJDPETULWQKJW-VHSXEESVSA-N 0 0 256.798 4.443 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2cc(C)ccc2C)cc1 ZINC000035183652 172036733 /nfs/dbraw/zinc/03/67/33/172036733.db2.gz KPNAVQMGBVGURI-HNNXBMFYSA-N 0 0 268.356 4.262 10 0 CIAERN CC(C)(C)C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000035184256 172038006 /nfs/dbraw/zinc/03/80/06/172038006.db2.gz PXVMLILXGXVKAT-UHFFFAOYSA-N 0 0 268.356 4.348 10 0 CIAERN Cc1cccc(O[C@H](C)C(=O)c2ccc(F)c(F)c2)c1C ZINC000035184342 172038214 /nfs/dbraw/zinc/03/82/14/172038214.db2.gz WKYDQLJAZGNHRH-GFCCVEGCSA-N 0 0 290.309 4.232 10 0 CIAERN CC(C)c1ccc(C(=O)Nc2ccccc2[C@H](C)O)cc1 ZINC000035199545 172044362 /nfs/dbraw/zinc/04/43/62/172044362.db2.gz YYDPHXSJQHOEEL-ZDUSSCGKSA-N 0 0 283.371 4.116 10 0 CIAERN CCC(CC)N(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000035208019 172054132 /nfs/dbraw/zinc/05/41/32/172054132.db2.gz LCPICLUMJPOGLM-UHFFFAOYSA-N 0 0 272.392 4.045 10 0 CIAERN CN(c1n[nH]c(=S)n1C1CCCCC1)C1CCCCC1 ZINC000035222108 172065039 /nfs/dbraw/zinc/06/50/39/172065039.db2.gz MREFEVBSCWWVIC-UHFFFAOYSA-N 0 0 294.468 4.215 10 0 CIAERN Cc1cc(Nc2cccc(Br)c2)ccc1N ZINC000035278074 172097361 /nfs/dbraw/zinc/09/73/61/172097361.db2.gz VLMUFSCLFRCZDM-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Cc1cc(Nc2cccc(Cl)c2F)ccc1N ZINC000035278151 172097401 /nfs/dbraw/zinc/09/74/01/172097401.db2.gz FFMSAKHXHLPUKZ-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1cc(Oc2ccc(F)cc2Br)ccc1N ZINC000035278332 172097634 /nfs/dbraw/zinc/09/76/34/172097634.db2.gz KLCAVQQCWJFINP-UHFFFAOYSA-N 0 0 296.139 4.271 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1ccc(Cl)s1 ZINC000035286310 172104152 /nfs/dbraw/zinc/10/41/52/172104152.db2.gz HROXGFWWARHCLS-QMMMGPOBSA-N 0 0 253.754 4.280 10 0 CIAERN Cc1nc2cc(Oc3cccc(F)c3)c(N)cc2s1 ZINC000035342841 172134957 /nfs/dbraw/zinc/13/49/57/172134957.db2.gz WHSGUOMRFMCADO-UHFFFAOYSA-N 0 0 274.320 4.118 10 0 CIAERN CC[C@H](C)Sc1cc2nc(C)sc2cc1N ZINC000035343077 172135011 /nfs/dbraw/zinc/13/50/11/172135011.db2.gz GLNVFEICEAELPB-ZETCQYMHSA-N 0 0 252.408 4.078 10 0 CIAERN Cc1ccc(Nc2ccc3scnc3c2N)c(C)c1 ZINC000035344492 172136698 /nfs/dbraw/zinc/13/66/98/172136698.db2.gz UVOMZUCNHJAPFD-UHFFFAOYSA-N 0 0 269.373 4.239 10 0 CIAERN Cc1ccc(C(=O)c2cc3c(s2)CCC3)c(C)c1 ZINC000035368653 172160432 /nfs/dbraw/zinc/16/04/32/172160432.db2.gz MGPCUNPNEINOIH-UHFFFAOYSA-N 0 0 256.370 4.085 10 0 CIAERN CCCCc1ccc(C(=O)c2cc(C)oc2C)cc1 ZINC000035368634 172160468 /nfs/dbraw/zinc/16/04/68/172160468.db2.gz MKBHDRRZLRBLGD-UHFFFAOYSA-N 0 0 256.345 4.470 10 0 CIAERN Cc1cc(C(=O)c2ccc3c(c2)CCCC3)c(C)o1 ZINC000035368742 172160520 /nfs/dbraw/zinc/16/05/20/172160520.db2.gz GVGPLKIKBHPUTN-UHFFFAOYSA-N 0 0 254.329 4.006 10 0 CIAERN Cc1ccc(C(=O)c2cc3c(s2)CCCC3)s1 ZINC000035368980 172160900 /nfs/dbraw/zinc/16/09/00/172160900.db2.gz KVHBWJFEYGQTLD-UHFFFAOYSA-N 0 0 262.399 4.228 10 0 CIAERN Cc1cc(C(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000035379352 172162419 /nfs/dbraw/zinc/16/24/19/172162419.db2.gz IHPQYVQBILSYOJ-UHFFFAOYSA-N 0 0 269.127 4.434 10 0 CIAERN CN[C@@H](c1ccc(F)cc1F)c1ccc(Cl)cc1F ZINC000035491788 172225481 /nfs/dbraw/zinc/22/54/81/172225481.db2.gz LBVSLZJIXJFKNG-CQSZACIVSA-N 0 0 285.696 4.066 10 0 CIAERN CN[C@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035502052 172236765 /nfs/dbraw/zinc/23/67/65/172236765.db2.gz MDTOLXPREMAAAP-SECBINFHSA-N 0 0 276.188 4.265 10 0 CIAERN CCN[C@H](c1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000035540174 172246118 /nfs/dbraw/zinc/24/61/18/172246118.db2.gz ODOYVEGFHKJEDO-SECBINFHSA-N 0 0 287.659 4.188 10 0 CIAERN CCN[C@@H](c1c(C)c(C)cc(C)c1C)C(F)(F)F ZINC000035547045 172255349 /nfs/dbraw/zinc/25/53/49/172255349.db2.gz SSKQZVFDUYBORE-ZDUSSCGKSA-N 0 0 259.315 4.133 10 0 CIAERN Clc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035576613 172273162 /nfs/dbraw/zinc/27/31/62/172273162.db2.gz WVSCAYFAWNRMNC-CQSZACIVSA-N 0 0 291.181 4.432 10 0 CIAERN C[C@@H](O)c1ccccc1OCc1cccc2ccccc21 ZINC000035627053 172305784 /nfs/dbraw/zinc/30/57/84/172305784.db2.gz XFMJJDADTMESPI-CQSZACIVSA-N 0 0 278.351 4.472 10 0 CIAERN C[C@@H](O)c1ccccc1OCc1ccc(F)cc1Cl ZINC000035627079 172305983 /nfs/dbraw/zinc/30/59/83/172305983.db2.gz POQXBQKVXRUMEB-SNVBAGLBSA-N 0 0 280.726 4.111 10 0 CIAERN CC(C)N(Cc1ccccc1)c1ccc([C@@H](C)O)cc1F ZINC000035631197 172312875 /nfs/dbraw/zinc/31/28/75/172312875.db2.gz BAUBZRWJXVRQML-CQSZACIVSA-N 0 0 287.378 4.294 10 0 CIAERN CC(C)N(Cc1ccccc1)c1cccc(F)c1[C@@H](C)O ZINC000035631191 172312885 /nfs/dbraw/zinc/31/28/85/172312885.db2.gz COOWZLACNUNPSR-CQSZACIVSA-N 0 0 287.378 4.294 10 0 CIAERN CC(C)N(Cc1ccccc1)c1ccc([C@H](C)O)cc1 ZINC000035631194 172313138 /nfs/dbraw/zinc/31/31/38/172313138.db2.gz HNQUHHBRDNIDDO-HNNXBMFYSA-N 0 0 269.388 4.155 10 0 CIAERN CCOc1ccccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035632124 172314217 /nfs/dbraw/zinc/31/42/17/172314217.db2.gz NOPHERVIFQEUPR-LLVKDONJSA-N 0 0 276.307 4.070 10 0 CIAERN CCc1cccc(Oc2cccc(F)c2[C@@H](C)O)c1 ZINC000035631896 172314416 /nfs/dbraw/zinc/31/44/16/172314416.db2.gz GJTQMPAMSIIWFJ-LLVKDONJSA-N 0 0 260.308 4.234 10 0 CIAERN CCc1cccc(Oc2ccc([C@@H](C)O)cc2F)c1 ZINC000035631900 172314585 /nfs/dbraw/zinc/31/45/85/172314585.db2.gz RDGKCIVOCAEJEB-LLVKDONJSA-N 0 0 260.308 4.234 10 0 CIAERN C[C@@H](O)c1c(F)cccc1Oc1ccc2c(c1)CCC2 ZINC000035632449 172314880 /nfs/dbraw/zinc/31/48/80/172314880.db2.gz BWFIGGDBNYFKNL-LLVKDONJSA-N 0 0 272.319 4.160 10 0 CIAERN C[C@H](O)c1ccc(Oc2cccc(Cl)c2)c(F)c1 ZINC000035632320 172314923 /nfs/dbraw/zinc/31/49/23/172314923.db2.gz MHWGMDAPAXFVGD-VIFPVBQESA-N 0 0 266.699 4.325 10 0 CIAERN C[C@H](O)c1c(F)cccc1Oc1ccc(Cl)cc1 ZINC000035632214 172314932 /nfs/dbraw/zinc/31/49/32/172314932.db2.gz PNUSMFPDQCZCBO-VIFPVBQESA-N 0 0 266.699 4.325 10 0 CIAERN Cc1ccc(C)c(Oc2cccc(F)c2[C@H](C)O)c1 ZINC000035632227 172314953 /nfs/dbraw/zinc/31/49/53/172314953.db2.gz VDGRXEOMOCXBOB-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN Cc1ccc(C)c(SCc2cccc(N)c2C)c1 ZINC000035649538 172326047 /nfs/dbraw/zinc/32/60/47/172326047.db2.gz OBVNRLRVAMVSQB-UHFFFAOYSA-N 0 0 257.402 4.486 10 0 CIAERN FC(F)(F)c1ccccc1NC1CCSCC1 ZINC000035651891 172328233 /nfs/dbraw/zinc/32/82/33/172328233.db2.gz NKIAGDPAAMRFSZ-UHFFFAOYSA-N 0 0 261.312 4.013 10 0 CIAERN CC(C)c1ccc(NC2Cc3ccccc3C2)cc1 ZINC000035657881 172332546 /nfs/dbraw/zinc/33/25/46/172332546.db2.gz JQFZRCWGULGCCC-UHFFFAOYSA-N 0 0 251.373 4.389 10 0 CIAERN Fc1ccc(Cl)cc1NC1Cc2ccccc2C1 ZINC000035658149 172332897 /nfs/dbraw/zinc/33/28/97/172332897.db2.gz UQEGGIKINGHCAX-UHFFFAOYSA-N 0 0 261.727 4.058 10 0 CIAERN Cc1ccc(N)cc1Oc1ncc(Cl)cc1Cl ZINC000035678340 172349398 /nfs/dbraw/zinc/34/93/98/172349398.db2.gz AVLCLIZJJVLUAM-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Clc1ccnc2c(Cc3ccccc3)cccc12 ZINC000035731103 172381390 /nfs/dbraw/zinc/38/13/90/172381390.db2.gz CADQBJWBSQSPFK-UHFFFAOYSA-N 0 0 253.732 4.479 10 0 CIAERN C[C@H](Nc1nc2cc(F)ccc2s1)c1ccco1 ZINC000035739634 172393834 /nfs/dbraw/zinc/39/38/34/172393834.db2.gz WRHOBNCRLNACIG-QMMMGPOBSA-N 0 0 262.309 4.202 10 0 CIAERN Cc1cc(Oc2cc(Cl)ccc2Cl)ncc1N ZINC000036251858 172545748 /nfs/dbraw/zinc/54/57/48/172545748.db2.gz KWQNJGYMTPCYPA-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Clc1cc(Cl)c(NC2CCOCC2)c(Cl)c1 ZINC000036304586 172598411 /nfs/dbraw/zinc/59/84/11/172598411.db2.gz NTLRVSOCEOEOOQ-UHFFFAOYSA-N 0 0 280.582 4.238 10 0 CIAERN Cc1ccc([C@H](O)c2ccc(C)cc2Br)cc1 ZINC000036451284 172636286 /nfs/dbraw/zinc/63/62/86/172636286.db2.gz CMPOWTGFZNMDNV-HNNXBMFYSA-N 0 0 291.188 4.148 10 0 CIAERN O=Cc1ccc(Br)cc1Oc1cccc(F)c1 ZINC000036670436 172648040 /nfs/dbraw/zinc/64/80/40/172648040.db2.gz YOFNCJVVXDEBJB-UHFFFAOYSA-N 0 0 295.107 4.193 10 0 CIAERN Nc1cccc(NCCc2ccc(Cl)cc2Cl)c1 ZINC000036720333 172657233 /nfs/dbraw/zinc/65/72/33/172657233.db2.gz GMJBLBSIZVIMJS-UHFFFAOYSA-N 0 0 281.186 4.230 10 0 CIAERN CCCC(=O)c1cc(OCC)c(OCC)cc1Cl ZINC000036946109 172821272 /nfs/dbraw/zinc/82/12/72/172821272.db2.gz QEAXWTQZNPNYDJ-UHFFFAOYSA-N 0 0 270.756 4.120 10 0 CIAERN C[C@@H]1CCC[C@H](OCc2ccc(Cl)c(N)c2)C1 ZINC000036964768 172832832 /nfs/dbraw/zinc/83/28/32/172832832.db2.gz LGALEQLCOWKGCI-PWSUYJOCSA-N 0 0 253.773 4.018 10 0 CIAERN CCCCC[C@@H](C)Nc1ccc(N(CC)CC)nc1 ZINC000037003089 172862603 /nfs/dbraw/zinc/86/26/03/172862603.db2.gz JVSNHERKGNJLFF-CQSZACIVSA-N 0 0 263.429 4.309 10 0 CIAERN Cc1cccc(CNc2cccc3c(O)cccc23)c1 ZINC000037132291 172974629 /nfs/dbraw/zinc/97/46/29/172974629.db2.gz LRLOMWHGZBVAPW-UHFFFAOYSA-N 0 0 263.340 4.466 10 0 CIAERN CC[C@@H](Nc1ccccc1CO)c1ccc(Cl)cc1 ZINC000037133921 172975388 /nfs/dbraw/zinc/97/53/88/172975388.db2.gz KEHCXPCNOPJVKB-OAHLLOKOSA-N 0 0 275.779 4.396 10 0 CIAERN CC[C@H](Nc1ccccc1CO)c1ccc(C)cc1 ZINC000037133931 172975593 /nfs/dbraw/zinc/97/55/93/172975593.db2.gz YCVFCCNESYLSAT-INIZCTEOSA-N 0 0 255.361 4.051 10 0 CIAERN Clc1cc(Cl)c2c(c1)[C@@H](Nc1cccnc1)CCO2 ZINC000037187224 173017456 /nfs/dbraw/zinc/01/74/56/173017456.db2.gz UCXRKIVKPDRZLV-ZDUSSCGKSA-N 0 0 295.169 4.324 10 0 CIAERN Nc1ccc(SCc2c(Cl)cccc2Cl)nc1 ZINC000037191688 173020869 /nfs/dbraw/zinc/02/08/69/173020869.db2.gz LZGREBVRDGFYOX-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN CO[C@H]1CCCC[C@@H]1Nc1ccccc1C(F)(F)F ZINC000037196433 173024265 /nfs/dbraw/zinc/02/42/65/173024265.db2.gz FSSBXLAGTFDRBT-STQMWFEESA-N 0 0 273.298 4.075 10 0 CIAERN CO[C@H]1CCCC[C@H]1Nc1ccccc1C(F)(F)F ZINC000037196435 173024404 /nfs/dbraw/zinc/02/44/04/173024404.db2.gz FSSBXLAGTFDRBT-OLZOCXBDSA-N 0 0 273.298 4.075 10 0 CIAERN Fc1ccc2sc([C@H]3Cc4ccccc4N3)nc2c1 ZINC000037205129 173027287 /nfs/dbraw/zinc/02/72/87/173027287.db2.gz AZESVMKKOJSRNO-CYBMUJFWSA-N 0 0 270.332 4.145 10 0 CIAERN COc1ccc(Nc2nc3cccc(Cl)c3s2)cn1 ZINC000037206553 173027765 /nfs/dbraw/zinc/02/77/65/173027765.db2.gz DRASJCGPOUONLB-UHFFFAOYSA-N 0 0 291.763 4.097 10 0 CIAERN Cc1ccc(CNc2ccc3[nH]ccc3c2)cc1C ZINC000037230590 173050354 /nfs/dbraw/zinc/05/03/54/173050354.db2.gz BNIPTFYKUMBSJL-UHFFFAOYSA-N 0 0 250.345 4.397 10 0 CIAERN Oc1cccc(N[C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000037238223 173055043 /nfs/dbraw/zinc/05/50/43/173055043.db2.gz UELWEFXBOHHHDM-INIZCTEOSA-N 0 0 257.308 4.095 10 0 CIAERN Cc1sc2ncnc(N[C@H]3CCC[C@H](C)C3)c2c1C ZINC000037251562 173063633 /nfs/dbraw/zinc/06/36/33/173063633.db2.gz JTJLCRKFUCPDTL-CABZTGNLSA-N 0 0 275.421 4.299 10 0 CIAERN C[C@H]1CCC[C@@H](Nc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254857 173066181 /nfs/dbraw/zinc/06/61/81/173066181.db2.gz IOARMVVOVAVCNJ-VHSXEESVSA-N 0 0 272.314 4.278 10 0 CIAERN Cc1sc2ncnc(N[C@H](C)CC(C)C)c2c1C ZINC000037265057 173074178 /nfs/dbraw/zinc/07/41/78/173074178.db2.gz VDFIALFNGCODTP-SECBINFHSA-N 0 0 263.410 4.155 10 0 CIAERN Cc1sc2ncnc(N[C@@H](C)CC(C)C)c2c1C ZINC000037265056 173074226 /nfs/dbraw/zinc/07/42/26/173074226.db2.gz VDFIALFNGCODTP-VIFPVBQESA-N 0 0 263.410 4.155 10 0 CIAERN CCC(=O)Nc1ccc(C)c(N[C@H](CC)C(C)C)c1 ZINC000037274372 173086308 /nfs/dbraw/zinc/08/63/08/173086308.db2.gz STLNHZVOTVDMTH-CQSZACIVSA-N 0 0 262.397 4.190 10 0 CIAERN COc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1F ZINC000037290285 173095465 /nfs/dbraw/zinc/09/54/65/173095465.db2.gz ZGFRBEOVJKDJEZ-AAEUAGOBSA-N 0 0 265.372 4.461 10 0 CIAERN CCCC[C@H](C)Nc1cnc(-c2ccccc2)nc1 ZINC000037302825 173108138 /nfs/dbraw/zinc/10/81/38/173108138.db2.gz NOGYYPNAHCAOGX-ZDUSSCGKSA-N 0 0 255.365 4.134 10 0 CIAERN CC(C)(C)n1c2ccccc2nc1-c1ccccc1N ZINC000037323662 173123758 /nfs/dbraw/zinc/12/37/58/173123758.db2.gz VRAVHLOMLLRLEP-UHFFFAOYSA-N 0 0 265.360 4.041 10 0 CIAERN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c(Cl)c1C=O ZINC000037326831 173128200 /nfs/dbraw/zinc/12/82/00/173128200.db2.gz PRWWZJYDLFMRGE-UHFFFAOYSA-N 0 0 297.185 4.289 10 0 CIAERN Fc1cccc(CC[C@@H]2CCc3ccccc3N2)c1 ZINC000037328185 173128512 /nfs/dbraw/zinc/12/85/12/173128512.db2.gz LXACMYQAGBGCFE-MRXNPFEDSA-N 0 0 255.336 4.185 10 0 CIAERN Fc1cccc(CC[C@H]2CCc3ccccc3N2)c1 ZINC000037328184 173128685 /nfs/dbraw/zinc/12/86/85/173128685.db2.gz LXACMYQAGBGCFE-INIZCTEOSA-N 0 0 255.336 4.185 10 0 CIAERN CC(=O)CCCOc1ccc(-c2ccccc2)cc1 ZINC000037330868 173131620 /nfs/dbraw/zinc/13/16/20/173131620.db2.gz CTHIHSAQCADPEW-UHFFFAOYSA-N 0 0 254.329 4.102 10 0 CIAERN Cc1cc(C)n([C@H](C)C(=O)c2ccc(Cl)cc2Cl)n1 ZINC000037340735 173142594 /nfs/dbraw/zinc/14/25/94/173142594.db2.gz DWOOLRDPVOQBPK-SNVBAGLBSA-N 0 0 297.185 4.251 10 0 CIAERN O=C(c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000037354566 173146882 /nfs/dbraw/zinc/14/68/82/173146882.db2.gz QDKFMOINESOQFQ-UHFFFAOYSA-N 0 0 268.209 4.076 10 0 CIAERN CCCc1ccc(C(=O)c2cccc(C)c2C)cc1 ZINC000037356967 173147560 /nfs/dbraw/zinc/14/75/60/173147560.db2.gz OAWFZBMIYBYRLT-UHFFFAOYSA-N 0 0 252.357 4.487 10 0 CIAERN C[C@@H](CC(=O)c1c[nH]c2ncccc12)CC(C)(C)C ZINC000037361741 173151224 /nfs/dbraw/zinc/15/12/24/173151224.db2.gz QAGKOTQZQRMEQV-NSHDSACASA-N 0 0 258.365 4.208 10 0 CIAERN CC(C)c1cccc(NCc2ccc3c(c2)CCO3)c1 ZINC000037362826 173151544 /nfs/dbraw/zinc/15/15/44/173151544.db2.gz VFKHWPCVSHEGIZ-UHFFFAOYSA-N 0 0 267.372 4.357 10 0 CIAERN COc1ccc(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC000037362744 173151733 /nfs/dbraw/zinc/15/17/33/173151733.db2.gz ORFQZJDVBGCTOC-DMDPSCGWSA-N 0 0 278.779 4.358 10 0 CIAERN Cc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000037362278 173151872 /nfs/dbraw/zinc/15/18/72/173151872.db2.gz QNQXBDLNTXWTNI-UHFFFAOYSA-N 0 0 254.329 4.013 10 0 CIAERN CCC[C@@H](C)C(=O)c1ccc(OC)c2ccccc12 ZINC000037363220 173152395 /nfs/dbraw/zinc/15/23/95/173152395.db2.gz YQYTZCZDXVBIFS-GFCCVEGCSA-N 0 0 256.345 4.467 10 0 CIAERN CC(=O)c1cc(F)ccc1Sc1ccc(F)c(F)c1 ZINC000037375018 173164120 /nfs/dbraw/zinc/16/41/20/173164120.db2.gz LLCQOKMSUOXGFN-UHFFFAOYSA-N 0 0 282.286 4.458 10 0 CIAERN O[C@@]1(c2ccccc2)CCCC[C@@H]1c1ccccc1 ZINC000037376032 173164934 /nfs/dbraw/zinc/16/49/34/173164934.db2.gz SAMXWYOMFYONOY-QZTJIDSGSA-N 0 0 252.357 4.232 10 0 CIAERN Nc1ccc(Cl)c(COc2ccc(Cl)cc2)c1 ZINC000037403291 173179277 /nfs/dbraw/zinc/17/92/77/173179277.db2.gz HPGKRVOLQAOHCQ-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN CC[C@H](C)N(CC)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415096 173191563 /nfs/dbraw/zinc/19/15/63/173191563.db2.gz YTAYECZBDWCJJI-JTQLQIEISA-N 0 0 288.218 4.297 10 0 CIAERN Nc1c(F)cccc1Sc1nc2ccccc2s1 ZINC000037420469 173197720 /nfs/dbraw/zinc/19/77/20/173197720.db2.gz JUEGZEMIVDHCQQ-UHFFFAOYSA-N 0 0 276.361 4.169 10 0 CIAERN Cc1ccc(Oc2cccc(F)c2N)c(Br)c1 ZINC000037420275 173197723 /nfs/dbraw/zinc/19/77/23/173197723.db2.gz VJRBIHVTGUZMJA-UHFFFAOYSA-N 0 0 296.139 4.271 10 0 CIAERN Fc1cccc2c1[nH]c(=S)n2CC1CCCCC1 ZINC000037422790 173198044 /nfs/dbraw/zinc/19/80/44/173198044.db2.gz FXWLFLIPRYMQLH-UHFFFAOYSA-N 0 0 264.369 4.418 10 0 CIAERN Fc1cccc2c1[nH]c(=S)n2CCc1ccccc1 ZINC000037422285 173198296 /nfs/dbraw/zinc/19/82/96/173198296.db2.gz ZGFHWDFAUNKNLZ-UHFFFAOYSA-N 0 0 272.348 4.081 10 0 CIAERN COC(=O)c1ccc(C)c(N[C@@H](C)c2cccs2)c1 ZINC000037507982 173241999 /nfs/dbraw/zinc/24/19/99/173241999.db2.gz MTTIBVYKGZOLKS-NSHDSACASA-N 0 0 275.373 4.016 10 0 CIAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)Cc1ccccc1F ZINC000037530061 173252843 /nfs/dbraw/zinc/25/28/43/173252843.db2.gz OEABDGLKGJNBIL-RDJZCZTQSA-N 0 0 264.384 4.336 10 0 CIAERN Cc1ccccc1C[C@](C)(O)c1ccccc1Cl ZINC000037530874 173253589 /nfs/dbraw/zinc/25/35/89/173253589.db2.gz QKLCLIYNFXQXHW-INIZCTEOSA-N 0 0 260.764 4.099 10 0 CIAERN Cc1c2ccccc2sc1[C@H](C)Nc1ccn(C)n1 ZINC000037560756 173271147 /nfs/dbraw/zinc/27/11/47/173271147.db2.gz VJIYMQNBWYEMSP-NSHDSACASA-N 0 0 271.389 4.116 10 0 CIAERN CCCCC[C@@H](Nc1ccn(C)n1)c1ccccc1 ZINC000037560729 173271346 /nfs/dbraw/zinc/27/13/46/173271346.db2.gz NBBBJAGMRSHXJC-OAHLLOKOSA-N 0 0 257.381 4.154 10 0 CIAERN CCCCOCc1cc2ccc(OC)cc2nc1Cl ZINC000037758301 173682654 /nfs/dbraw/zinc/68/26/54/173682654.db2.gz ADCBOIHRKIHQQF-UHFFFAOYSA-N 0 0 279.767 4.214 10 0 CIAERN CC[C@H](C)OCc1cc2ccc(OC)cc2nc1Cl ZINC000037758304 173682728 /nfs/dbraw/zinc/68/27/28/173682728.db2.gz BWIDBVLNRZEDMH-JTQLQIEISA-N 0 0 279.767 4.212 10 0 CIAERN CCc1cccc(C)c1NCc1ccccc1OC ZINC000037763812 173690267 /nfs/dbraw/zinc/69/02/67/173690267.db2.gz RKYLWJBPEJTXJY-UHFFFAOYSA-N 0 0 255.361 4.178 10 0 CIAERN C[C@@H](Nc1cccc(N2CCCC2)c1)c1ccco1 ZINC000037774996 173706729 /nfs/dbraw/zinc/70/67/29/173706729.db2.gz IZMDODDOXUOFGB-CYBMUJFWSA-N 0 0 256.349 4.053 10 0 CIAERN CCOc1ccc(Cl)cc1NCc1cccc(O)c1 ZINC000037780853 173711122 /nfs/dbraw/zinc/71/11/22/173711122.db2.gz SFBAHLJHKISDMG-UHFFFAOYSA-N 0 0 277.751 4.056 10 0 CIAERN CC(C)(C)c1cccc(Oc2ccc(Cl)nn2)c1 ZINC000037977874 173934979 /nfs/dbraw/zinc/93/49/79/173934979.db2.gz ONXABLKRULLVIM-UHFFFAOYSA-N 0 0 262.740 4.220 10 0 CIAERN CCc1c(C)nc(-c2ccc(OC(C)C)cc2)nc1Cl ZINC000038004073 173965770 /nfs/dbraw/zinc/96/57/70/173965770.db2.gz IIBIOMZOBYJGBX-UHFFFAOYSA-N 0 0 290.794 4.455 10 0 CIAERN CCCOc1cccc(CNc2ccc(F)c(F)c2)c1 ZINC000038038253 174038564 /nfs/dbraw/zinc/03/85/64/174038564.db2.gz NTUNTCXRWTWRPZ-UHFFFAOYSA-N 0 0 277.314 4.366 10 0 CIAERN CCCOc1cccc(CNc2ccc(C)cc2OC)c1 ZINC000038038367 174039050 /nfs/dbraw/zinc/03/90/50/174039050.db2.gz QYRDJBMGUDEPAI-UHFFFAOYSA-N 0 0 285.387 4.405 10 0 CIAERN CCCOc1ccc(Oc2c(F)cc(N)cc2F)cc1 ZINC000038040344 174040479 /nfs/dbraw/zinc/04/04/79/174040479.db2.gz IUYHKERRXZXLLT-UHFFFAOYSA-N 0 0 279.286 4.128 10 0 CIAERN COc1ccc(Cl)cc1CNc1cccnc1Cl ZINC000038051546 174062693 /nfs/dbraw/zinc/06/26/93/174062693.db2.gz YPEBPIQAQRHZPQ-UHFFFAOYSA-N 0 0 283.158 4.009 10 0 CIAERN COc1ccc(COc2cc(C(C)C)ccc2C)cc1N ZINC000038052931 174064475 /nfs/dbraw/zinc/06/44/75/174064475.db2.gz DIIQUCVACNZGQT-UHFFFAOYSA-N 0 0 285.387 4.288 10 0 CIAERN Cc1ccc(C(C)C)cc1OCc1ccccc1C(N)=S ZINC000038053032 174064620 /nfs/dbraw/zinc/06/46/20/174064620.db2.gz ADWBFKWSLAGEFN-UHFFFAOYSA-N 0 0 299.439 4.332 10 0 CIAERN Nc1ccccc1OCc1csc(-c2ccsc2)n1 ZINC000038055929 174066819 /nfs/dbraw/zinc/06/68/19/174066819.db2.gz CSYJLJHRGBQHGO-UHFFFAOYSA-N 0 0 288.397 4.033 10 0 CIAERN Cc1ccc(N)c(-c2ccc(OC(F)(F)F)cc2)c1 ZINC000038069253 174081072 /nfs/dbraw/zinc/08/10/72/174081072.db2.gz FYQNSENMXPYGAX-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN O=Cc1cc(-c2cccc3ccccc32)ccc1F ZINC000038069584 174081236 /nfs/dbraw/zinc/08/12/36/174081236.db2.gz SDDZDVCIMPDFIY-UHFFFAOYSA-N 0 0 250.272 4.458 10 0 CIAERN Cc1cc(C)cc(COc2ccc(Cl)cc2N)c1 ZINC000038076643 174087638 /nfs/dbraw/zinc/08/76/38/174087638.db2.gz HVVVXOYGBMUEPG-UHFFFAOYSA-N 0 0 261.752 4.118 10 0 CIAERN Cc1cc(Sc2ccc(O)cc2)c2ccccc2n1 ZINC000038079240 174089295 /nfs/dbraw/zinc/08/92/95/174089295.db2.gz JQOSHFRWYDQSRA-UHFFFAOYSA-N 0 0 267.353 4.400 10 0 CIAERN CC[C@@H](C)c1ccccc1Oc1nsnc1Cl ZINC000038082341 174091100 /nfs/dbraw/zinc/09/11/00/174091100.db2.gz FGEBWUXWCPMOCC-MRVPVSSYSA-N 0 0 268.769 4.497 10 0 CIAERN Clc1nsnc1Oc1cccc2ccccc21 ZINC000038082318 174091239 /nfs/dbraw/zinc/09/12/39/174091239.db2.gz HBEJTJUGWZNMRL-UHFFFAOYSA-N 0 0 262.721 4.137 10 0 CIAERN Cc1ccc([C@H](C)Nc2nccc3sccc32)o1 ZINC000038097840 174111650 /nfs/dbraw/zinc/11/16/50/174111650.db2.gz PTMHEHBQQJWERR-JTQLQIEISA-N 0 0 258.346 4.371 10 0 CIAERN O=C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000038126423 174131140 /nfs/dbraw/zinc/13/11/40/174131140.db2.gz MEVZFPGYEUDPDF-UHFFFAOYSA-N 0 0 266.674 4.044 10 0 CIAERN Clc1nnc(Cc2c[nH]c3ccccc23)c2ccccc12 ZINC000038439716 174142231 /nfs/dbraw/zinc/14/22/31/174142231.db2.gz GYZGETASAWLMOV-UHFFFAOYSA-N 0 0 293.757 4.355 10 0 CIAERN CN1c2ccccc2S[C@H]1/C=C\c1ccccc1 ZINC000039118987 174162881 /nfs/dbraw/zinc/16/28/81/174162881.db2.gz NVYGHKKDZBBWMV-JNSOCZORSA-N 0 0 253.370 4.268 10 0 CIAERN CCCCc1nc(Br)sc1Br ZINC000039121837 174163275 /nfs/dbraw/zinc/16/32/75/174163275.db2.gz OOFPVHNKGTUFTO-UHFFFAOYSA-N 0 0 299.031 4.011 10 0 CIAERN CN1c2ccccc2S[C@@H]1/C=C\c1ccccc1 ZINC000039118985 174163071 /nfs/dbraw/zinc/16/30/71/174163071.db2.gz NVYGHKKDZBBWMV-YUQCYMQKSA-N 0 0 253.370 4.268 10 0 CIAERN CN(C)c1oc(-c2ccccc2)cc1C(=O)c1ccccc1 ZINC000039084640 174163293 /nfs/dbraw/zinc/16/32/93/174163293.db2.gz WNNCRMAFOLQLBP-UHFFFAOYSA-N 0 0 291.350 4.244 10 0 CIAERN Cc1nc(-c2ccccc2)sc1C(=O)c1ccccc1 ZINC000039234206 174166651 /nfs/dbraw/zinc/16/66/51/174166651.db2.gz PTPVRIMFNRBBAE-UHFFFAOYSA-N 0 0 279.364 4.350 10 0 CIAERN CCSc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000039239031 174166977 /nfs/dbraw/zinc/16/69/77/174166977.db2.gz UWWXWZJCODRNIU-UHFFFAOYSA-N 0 0 295.820 4.223 10 0 CIAERN CC[C@@]12CCC3=C(CCc4cc(OC)ccc43)[C@H]1CC[C@@H]2O ZINC000039251860 174167220 /nfs/dbraw/zinc/16/72/20/174167220.db2.gz VOVSXUVLXBTVLM-HSALFYBXSA-N 0 0 298.426 4.356 10 0 CIAERN Cc1ccnc2c(-c3nc4ccccc4[nH]3)cccc12 ZINC000039251817 174167394 /nfs/dbraw/zinc/16/73/94/174167394.db2.gz SCNVKGSWJMUNIA-UHFFFAOYSA-N 0 0 259.312 4.087 10 0 CIAERN c1ccc(-c2nc3n(c2-c2ccccc2)CCS3)cc1 ZINC000039252448 174167580 /nfs/dbraw/zinc/16/75/80/174167580.db2.gz LPJBOYDHVYYELT-UHFFFAOYSA-N 0 0 278.380 4.323 10 0 CIAERN COc1ccccc1Nc1ccnc2c(F)cccc12 ZINC000039963695 174179534 /nfs/dbraw/zinc/17/95/34/174179534.db2.gz ZAGFTUGLONMNHN-UHFFFAOYSA-N 0 0 268.291 4.126 10 0 CIAERN CCOC(=O)c1ccccc1-c1ccc(Cl)cc1 ZINC000040174801 174201055 /nfs/dbraw/zinc/20/10/55/174201055.db2.gz BIKIQOWJNDLULU-UHFFFAOYSA-N 0 0 260.720 4.184 10 0 CIAERN O[C@H](/C=C/c1ccccc1)c1ccc(Br)cc1 ZINC000040176375 174201912 /nfs/dbraw/zinc/20/19/12/174201912.db2.gz PICVYUWHHIUEBJ-KDHUCADRSA-N 0 0 289.172 4.196 10 0 CIAERN CCCCNC(=O)c1cc(-c2ccc(Cl)cc2)oc1C ZINC000040179407 174202813 /nfs/dbraw/zinc/20/28/13/174202813.db2.gz CLUBGWFVWXNLHE-UHFFFAOYSA-N 0 0 291.778 4.438 10 0 CIAERN Cc1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000040224691 174207812 /nfs/dbraw/zinc/20/78/12/174207812.db2.gz MDIYNLLKAWASSL-UHFFFAOYSA-N 0 0 294.398 4.431 10 0 CIAERN Cc1cc(C)cc(OCCn2cnc3cc(C)c(C)cc32)c1 ZINC000040224049 174208248 /nfs/dbraw/zinc/20/82/48/174208248.db2.gz PRYAWNXZZQNAMS-UHFFFAOYSA-N 0 0 294.398 4.349 10 0 CIAERN CCc1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000040227342 174208413 /nfs/dbraw/zinc/20/84/13/174208413.db2.gz HJMXEGFDURTUSP-UHFFFAOYSA-N 0 0 294.398 4.295 10 0 CIAERN COc1ccc(Cn2c3ccccc3nc2C(C)C)cc1 ZINC000040231227 174209727 /nfs/dbraw/zinc/20/97/27/174209727.db2.gz SDBNAXZYXRXAQU-UHFFFAOYSA-N 0 0 280.371 4.217 10 0 CIAERN O[C@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000040244026 174214425 /nfs/dbraw/zinc/21/44/25/174214425.db2.gz QNAWVPKEGJUCNH-CYBMUJFWSA-N 0 0 253.128 4.075 10 0 CIAERN CC[C@H](C)c1ccc([C@@H](O)c2ccc(F)cc2)cc1 ZINC000040246651 174214926 /nfs/dbraw/zinc/21/49/26/174214926.db2.gz CZRKXVSCXMXMMG-YVEFUNNKSA-N 0 0 258.336 4.421 10 0 CIAERN CC[C@H](C)c1ccc([C@H](O)c2ccc(F)cc2)cc1 ZINC000040246649 174215080 /nfs/dbraw/zinc/21/50/80/174215080.db2.gz CZRKXVSCXMXMMG-SJCJKPOMSA-N 0 0 258.336 4.421 10 0 CIAERN Cc1ccc(O[C@H](C)C(=O)c2cc(C)c(C)cc2C)c(N)c1 ZINC000040354424 174245474 /nfs/dbraw/zinc/24/54/74/174245474.db2.gz YMDKFCDXYMXQLO-OAHLLOKOSA-N 0 0 297.398 4.153 10 0 CIAERN Cc1cc(NC(=O)C(C)(C)C)c2ccc(Cl)c(C)c2n1 ZINC000040359612 174246424 /nfs/dbraw/zinc/24/64/24/174246424.db2.gz SDIMUBDDAYPCPA-UHFFFAOYSA-N 0 0 290.794 4.490 10 0 CIAERN Cc1cc2nc(-c3ccccc3)cn2cc1Br ZINC000040383952 174251516 /nfs/dbraw/zinc/25/15/16/174251516.db2.gz LSJKJJLRXUUIEE-UHFFFAOYSA-N 0 0 287.160 4.072 10 0 CIAERN Cc1ccc(-c2cn3cc(Cl)cc(C)c3n2)cc1 ZINC000040383792 174251692 /nfs/dbraw/zinc/25/16/92/174251692.db2.gz ZOAMBAVTBLORAB-UHFFFAOYSA-N 0 0 256.736 4.272 10 0 CIAERN Oc1ccc(-c2ccsc2-c2ccc(O)cc2)cc1 ZINC000040393505 174252132 /nfs/dbraw/zinc/25/21/32/174252132.db2.gz UVPYZUHMLVPDOX-UHFFFAOYSA-N 0 0 268.337 4.493 10 0 CIAERN COCCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040389446 174252266 /nfs/dbraw/zinc/25/22/66/174252266.db2.gz ZYWHIYVXCGPPQZ-UHFFFAOYSA-N 0 0 294.398 4.357 10 0 CIAERN CCOCCCn1c2ccccc2nc1-c1ccccc1 ZINC000040389510 174252457 /nfs/dbraw/zinc/25/24/57/174252457.db2.gz NESMWPQRHWKUJT-UHFFFAOYSA-N 0 0 280.371 4.130 10 0 CIAERN CCOCCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040405104 174254102 /nfs/dbraw/zinc/25/41/02/174254102.db2.gz KFHRWPYHXXOMAU-UHFFFAOYSA-N 0 0 280.799 4.024 10 0 CIAERN CCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040417228 174255878 /nfs/dbraw/zinc/25/58/78/174255878.db2.gz GFNQTJLKFOVYRU-UHFFFAOYSA-N 0 0 286.762 4.289 10 0 CIAERN CCCc1nc2cc(C(F)(F)F)ccc2n1CCC ZINC000040417445 174255892 /nfs/dbraw/zinc/25/58/92/174255892.db2.gz QGCPZPQLYNTSLB-UHFFFAOYSA-N 0 0 270.298 4.418 10 0 CIAERN CCCc1nc2cc(C(F)(F)F)ccc2n1CC ZINC000040417123 174255910 /nfs/dbraw/zinc/25/59/10/174255910.db2.gz OEYHNTDYWCPNRB-UHFFFAOYSA-N 0 0 256.271 4.028 10 0 CIAERN Cc1cc(NCC(C)C)c2[nH]nc(-c3ccccc3)c2n1 ZINC000040650931 174364961 /nfs/dbraw/zinc/36/49/61/174364961.db2.gz WQRRSTVFXTYOJZ-UHFFFAOYSA-N 0 0 280.375 4.001 10 0 CIAERN Cc1cc(C)nc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000041005399 174448327 /nfs/dbraw/zinc/44/83/27/174448327.db2.gz RZHDGEQYWBNBTI-UHFFFAOYSA-N 0 0 268.360 4.074 10 0 CIAERN Cc1ccc(OCc2ccc(C(C)C)cc2)c(N)c1 ZINC000041078911 174473100 /nfs/dbraw/zinc/47/31/00/174473100.db2.gz VDRGJCGKQPNUMV-UHFFFAOYSA-N 0 0 255.361 4.280 10 0 CIAERN CCNc1nc(Nc2cccc(Cl)c2)nc2ccccc21 ZINC000041147325 174497417 /nfs/dbraw/zinc/49/74/17/174497417.db2.gz GAVXRQQQQDGCDK-UHFFFAOYSA-N 0 0 298.777 4.459 10 0 CIAERN CCCOc1ccc(C(=O)c2cccc(C)c2)cc1 ZINC000041324403 174521151 /nfs/dbraw/zinc/52/11/51/174521151.db2.gz HRDFIYHDJUAKBF-UHFFFAOYSA-N 0 0 254.329 4.015 10 0 CIAERN Cc1cc(Br)c(OCC(C)C)cc1C ZINC000041327705 174523831 /nfs/dbraw/zinc/52/38/31/174523831.db2.gz WTIBQGDPGKAYDZ-UHFFFAOYSA-N 0 0 257.171 4.101 10 0 CIAERN CCCc1ccc(C(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000041410312 174548730 /nfs/dbraw/zinc/54/87/30/174548730.db2.gz YDMGIVPCKVIMCD-UHFFFAOYSA-N 0 0 273.763 4.106 10 0 CIAERN Nc1onc(-c2ccc(Cl)cc2)c1-c1ccccc1F ZINC000041465164 174556894 /nfs/dbraw/zinc/55/68/94/174556894.db2.gz LRVHTOMDTOJBCE-UHFFFAOYSA-N 0 0 288.709 4.383 10 0 CIAERN Clc1cc(Br)cc2nc(C3CC3)oc21 ZINC000041569324 174568286 /nfs/dbraw/zinc/56/82/86/174568286.db2.gz FKMNFIILKWRWLP-UHFFFAOYSA-N 0 0 272.529 4.121 10 0 CIAERN Clc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1 ZINC000042403596 174710671 /nfs/dbraw/zinc/71/06/71/174710671.db2.gz DHZDWAXFFDIMPE-UHFFFAOYSA-N 0 0 279.170 4.329 10 0 CIAERN CC(=O)c1cc(F)ccc1N(C)[C@@H]1CCCC[C@H]1C ZINC000042608042 174820256 /nfs/dbraw/zinc/82/02/56/174820256.db2.gz WUOBJXFWBOVGLR-IAQYHMDHSA-N 0 0 263.356 4.043 10 0 CIAERN COc1ccc(Cl)c(NCCc2ccccc2)c1 ZINC000043316383 175005013 /nfs/dbraw/zinc/00/50/13/175005013.db2.gz SFTWUKUASHBZMJ-UHFFFAOYSA-N 0 0 261.752 4.003 10 0 CIAERN O=C1C[C@@](c2ccccc2)(C(F)(F)F)c2ccccc21 ZINC000043463919 175052612 /nfs/dbraw/zinc/05/26/12/175052612.db2.gz JZQJZUAFFRBYPR-HNNXBMFYSA-N 0 0 276.257 4.121 10 0 CIAERN CC(C)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000043465621 175053014 /nfs/dbraw/zinc/05/30/14/175053014.db2.gz DTNIXHMKAWDGPZ-MRVPVSSYSA-N 0 0 275.179 4.159 10 0 CIAERN Cc1ccc(NCc2ccc(O)c(Cl)c2)c(F)c1 ZINC000043477339 175054802 /nfs/dbraw/zinc/05/48/02/175054802.db2.gz DMFHDLQPMVKHJM-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN Oc1ccc(CNc2cccc(Cl)c2)cc1Cl ZINC000043476836 175054988 /nfs/dbraw/zinc/05/49/88/175054988.db2.gz MZXCPJPAMXYLIA-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN CC[C@H]1CCC(=O)[C@@H](Cc2ccc(Cl)s2)C1 ZINC000043653525 175085636 /nfs/dbraw/zinc/08/56/36/175085636.db2.gz KLUDWKAZOQPYNX-VHSXEESVSA-N 0 0 256.798 4.339 10 0 CIAERN O[C@@H](CCc1ccc(Br)s1)c1ccccc1 ZINC000043656476 175085763 /nfs/dbraw/zinc/08/57/63/175085763.db2.gz XFEBJWXOSKGZBD-LBPRGKRZSA-N 0 0 297.217 4.177 10 0 CIAERN O[C@@H]1CCCC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000043658241 175085764 /nfs/dbraw/zinc/08/57/64/175085764.db2.gz JJHVJPUQJHXFQN-GXFFZTMASA-N 0 0 259.176 4.087 10 0 CIAERN CC(C)c1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000043656547 175085798 /nfs/dbraw/zinc/08/57/98/175085798.db2.gz MAVWDNJZFFFQSC-GOSISDBHSA-N 0 0 254.373 4.476 10 0 CIAERN CC(C)CCOCc1ccc(Br)s1 ZINC000043679357 175089480 /nfs/dbraw/zinc/08/94/80/175089480.db2.gz ZIXYHOBVIZYLBU-UHFFFAOYSA-N 0 0 263.200 4.073 10 0 CIAERN C[C@@H]1CCC(=O)[C@@H](Cc2cc(Br)cs2)C1 ZINC000043687999 175094938 /nfs/dbraw/zinc/09/49/38/175094938.db2.gz APGRGDYUPJOSGS-RKDXNWHRSA-N 0 0 287.222 4.058 10 0 CIAERN CCCSCc1cc(Br)cs1 ZINC000043687730 175094950 /nfs/dbraw/zinc/09/49/50/175094950.db2.gz ZQJZJEZVORGFEZ-UHFFFAOYSA-N 0 0 251.214 4.154 10 0 CIAERN O[C@H](CCc1cc(Br)cs1)c1ccccc1 ZINC000043688701 175095456 /nfs/dbraw/zinc/09/54/56/175095456.db2.gz DJFOHCZJZBLJDM-CYBMUJFWSA-N 0 0 297.217 4.177 10 0 CIAERN Cc1ccc(-c2csc(Br)c2)cc1 ZINC000044121021 175142730 /nfs/dbraw/zinc/14/27/30/175142730.db2.gz CNRVQOFBIMYJMX-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN CCc1ccc(-c2ncc(Br)s2)cc1 ZINC000044121613 175143063 /nfs/dbraw/zinc/14/30/63/175143063.db2.gz CTRUSXIACKVUGY-UHFFFAOYSA-N 0 0 268.179 4.135 10 0 CIAERN Cc1cc(C)cc([C@@H](O)Cc2ccccc2Cl)c1 ZINC000044266406 175158004 /nfs/dbraw/zinc/15/80/04/175158004.db2.gz SCTRRGOUZYHHCF-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN Cc1ccsc1[C@@H](O)c1ccc(Cl)cc1Cl ZINC000044375229 175168519 /nfs/dbraw/zinc/16/85/19/175168519.db2.gz IEJYIEJYZRXWRK-NSHDSACASA-N 0 0 273.184 4.445 10 0 CIAERN CNc1ccc(OCc2sccc2Br)cc1 ZINC000044471017 175177511 /nfs/dbraw/zinc/17/75/11/175177511.db2.gz JVXFYNYTDJFZMA-UHFFFAOYSA-N 0 0 298.205 4.131 10 0 CIAERN Nc1ccc(N2CCC[C@H]2C2CCCC2)c(Cl)c1 ZINC000045071421 175301294 /nfs/dbraw/zinc/30/12/94/175301294.db2.gz IEMCMQGZJSAOQO-AWEZNQCLSA-N 0 0 264.800 4.081 10 0 CIAERN C[C@]1(C2=CCc3ccccc32)Cc2ccccc2C1=O ZINC000045298754 175354392 /nfs/dbraw/zinc/35/43/92/175354392.db2.gz KATOSGRAMVZIGN-LJQANCHMSA-N 0 0 260.336 4.071 10 0 CIAERN Cc1ccccc1CS[C@@H](C)C(=O)c1ccccc1 ZINC000047820158 175413925 /nfs/dbraw/zinc/41/39/25/175413925.db2.gz JBGVDQLPRJJFQZ-AWEZNQCLSA-N 0 0 270.397 4.500 10 0 CIAERN CCCCC[C@@H](C)NC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000049101500 175463930 /nfs/dbraw/zinc/46/39/30/175463930.db2.gz CVIOQQALQYDSBD-IJEWVQPXSA-N 0 0 288.435 4.059 10 0 CIAERN Cc1cccc(-c2cc3c(ncnc3Cl)s2)c1 ZINC000049452975 175478270 /nfs/dbraw/zinc/47/82/70/175478270.db2.gz CYAYQKZOETYIST-UHFFFAOYSA-N 0 0 260.749 4.320 10 0 CIAERN Cc1cccc(-c2nc3ccc(F)cc3n2C2CC2)c1N ZINC000052125133 175532805 /nfs/dbraw/zinc/53/28/05/175532805.db2.gz MSOVJICBNUXBMG-UHFFFAOYSA-N 0 0 281.334 4.068 10 0 CIAERN COc1ccc(C(F)(F)F)cc1-c1ccc(C)c(O)c1 ZINC000065340622 175710740 /nfs/dbraw/zinc/71/07/40/175710740.db2.gz CMDDUVQDLDSLKI-UHFFFAOYSA-N 0 0 282.261 4.395 10 0 CIAERN COc1cc(-c2ccc(OC)c(C(F)(F)F)c2)ccc1O ZINC000065342931 175712459 /nfs/dbraw/zinc/71/24/59/175712459.db2.gz CLDLRBVUQYFVFY-UHFFFAOYSA-N 0 0 298.260 4.095 10 0 CIAERN Cc1ccccc1OCc1c(F)cccc1Cl ZINC000070236509 175882866 /nfs/dbraw/zinc/88/28/66/175882866.db2.gz DSLOXYZCHJKNSA-UHFFFAOYSA-N 0 0 250.700 4.367 10 0 CIAERN Nc1ccc2nc(Cc3ccc(Cl)c(Cl)c3)oc2c1 ZINC000070579259 175994099 /nfs/dbraw/zinc/99/40/99/175994099.db2.gz SDDBBACUYWYXJN-UHFFFAOYSA-N 0 0 293.153 4.308 10 0 CIAERN CC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000070848948 176008717 /nfs/dbraw/zinc/00/87/17/176008717.db2.gz MBVXUBFOEIARHT-UHFFFAOYSA-N 0 0 272.156 4.320 10 0 CIAERN COc1ccc(-c2sc(NC(C)(C)C)nc2C)cc1 ZINC000071169038 176049708 /nfs/dbraw/zinc/04/97/08/176049708.db2.gz MHWYQGUZEXUVQK-UHFFFAOYSA-N 0 0 276.405 4.338 10 0 CIAERN CC(C)c1ccccc1NCc1cnn2ccccc12 ZINC000071354937 176136713 /nfs/dbraw/zinc/13/67/13/176136713.db2.gz WYIRMCRVDUOBOQ-UHFFFAOYSA-N 0 0 265.360 4.070 10 0 CIAERN Cc1ccc2oc(C(=O)c3ccccc3C)cc2c1 ZINC000071406397 176155968 /nfs/dbraw/zinc/15/59/68/176155968.db2.gz PXZHZLCAXKPNBH-UHFFFAOYSA-N 0 0 250.297 4.281 10 0 CIAERN Cc1ccncc1N[C@H]1CCSc2ccccc21 ZINC000071413270 176158656 /nfs/dbraw/zinc/15/86/56/176158656.db2.gz IVDRGTQQOFMKMO-ZDUSSCGKSA-N 0 0 256.374 4.039 10 0 CIAERN Cc1cc(CC(C)(C)Br)ccc1Cl ZINC000071424258 176160831 /nfs/dbraw/zinc/16/08/31/176160831.db2.gz HAGUPLCLRXCQFR-UHFFFAOYSA-N 0 0 261.590 4.364 10 0 CIAERN O=Cc1c(Cl)n(Cc2ccccc2)c2c1cccc2F ZINC000071465969 176182140 /nfs/dbraw/zinc/18/21/40/176182140.db2.gz PPJBWOJOJNXGNO-UHFFFAOYSA-N 0 0 287.721 4.295 10 0 CIAERN CC(C)c1cc2nc(-c3ccccc3)cc(Cl)n2n1 ZINC000071466754 176182891 /nfs/dbraw/zinc/18/28/91/176182891.db2.gz NYBKLYGDPUFSDN-UHFFFAOYSA-N 0 0 271.751 4.173 10 0 CIAERN Cc1cc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1 ZINC000071476530 176187112 /nfs/dbraw/zinc/18/71/12/176187112.db2.gz VNEJRLUMMOQBEB-UHFFFAOYSA-N 0 0 278.142 4.012 10 0 CIAERN Clc1ccc(-c2cc(Cl)nc(Cl)n2)s1 ZINC000071598147 176221882 /nfs/dbraw/zinc/22/18/82/176221882.db2.gz CIZDKXBZQMXQBD-UHFFFAOYSA-N 0 0 265.552 4.165 10 0 CIAERN Nc1ccc2nc(-c3c(F)cccc3Cl)sc2c1 ZINC000071630007 176235900 /nfs/dbraw/zinc/23/59/00/176235900.db2.gz MMTPDYUIMRWCTK-UHFFFAOYSA-N 0 0 278.739 4.338 10 0 CIAERN CCCOc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071632970 176237512 /nfs/dbraw/zinc/23/75/12/176237512.db2.gz LXSOWHCTYBIOQS-UHFFFAOYSA-N 0 0 283.158 4.239 10 0 CIAERN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000071856079 176277864 /nfs/dbraw/zinc/27/78/64/176277864.db2.gz HSBRXOXADDPAPM-ZDUSSCGKSA-N 0 0 287.790 4.482 10 0 CIAERN FC(F)(F)c1ccc(Br)cc1C1CC1 ZINC000072193349 176336877 /nfs/dbraw/zinc/33/68/77/176336877.db2.gz ZPZFAANOMDTDBR-UHFFFAOYSA-N 0 0 265.072 4.345 10 0 CIAERN FC(F)(Cl)[C@](F)(Cl)C(Cl)(Cl)Cl ZINC000072265590 176352086 /nfs/dbraw/zinc/35/20/86/176352086.db2.gz QCIWFDMHGNDLDH-SFOWXEAESA-N 0 0 270.292 4.093 10 0 CIAERN Cc1ccc(-c2nc3ccc(N)cc3o2)c(Cl)c1 ZINC000073640067 176481092 /nfs/dbraw/zinc/48/10/92/176481092.db2.gz NFHBWWZZIDFFDS-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN CCNc1nnc(-c2cc3cc(Cl)ccc3o2)s1 ZINC000077070040 177185512 /nfs/dbraw/zinc/18/55/12/177185512.db2.gz SDUACFQBTNKFHA-UHFFFAOYSA-N 0 0 279.752 4.037 10 0 CIAERN C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(F)cc1Cl ZINC000078819862 177393472 /nfs/dbraw/zinc/39/34/72/177393472.db2.gz DTHXBJZZNFVICO-SECBINFHSA-N 0 0 295.716 4.109 10 0 CIAERN Fc1ccc([C@@H]2C[C@@H]2c2nc(C3CCCC3)no2)cc1F ZINC000171793943 335080443 /nfs/dbraw/zinc/08/04/43/335080443.db2.gz YRYPMHIFSKTVIQ-RYUDHWBXSA-N 0 0 290.313 4.277 10 0 CIAERN Fc1ccc([C@H]2C[C@H]2c2nc(C3CCCC3)no2)cc1F ZINC000171793952 335080453 /nfs/dbraw/zinc/08/04/53/335080453.db2.gz YRYPMHIFSKTVIQ-VXGBXAGGSA-N 0 0 290.313 4.277 10 0 CIAERN FC(F)(F)c1cccnc1N[C@@H]1CCc2ccccc21 ZINC000301069122 227438369 /nfs/dbraw/zinc/43/83/69/227438369.db2.gz DYHMAOYULVCETQ-CYBMUJFWSA-N 0 0 278.277 4.200 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1ncnc2c(F)cccc12 ZINC000302645224 227871721 /nfs/dbraw/zinc/87/17/21/227871721.db2.gz FMVHZHRDXMFVCQ-LBPRGKRZSA-N 0 0 281.334 4.250 10 0 CIAERN Cc1ccsc1[C@@H](C)Nc1cn(C)nc1C(C)C ZINC000305894302 260103974 /nfs/dbraw/zinc/10/39/74/260103974.db2.gz WWYLIXVFYYACDM-LLVKDONJSA-N 0 0 263.410 4.087 10 0 CIAERN Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C)c(Br)c1 ZINC000230042395 260144602 /nfs/dbraw/zinc/14/46/02/260144602.db2.gz BCKVMZJDZJEWOJ-GHMZBOCLSA-N 0 0 296.208 4.132 10 0 CIAERN C[C@@H](N[C@H](C)c1ccccc1Br)c1ccco1 ZINC000035738994 260152793 /nfs/dbraw/zinc/15/27/93/260152793.db2.gz LBDJTMPPRVOEIP-GHMZBOCLSA-N 0 0 294.192 4.454 10 0 CIAERN CCc1ccc([C@H](C)Nc2cn(C)nc2C(C)C)cc1 ZINC000312613774 260182640 /nfs/dbraw/zinc/18/26/40/260182640.db2.gz QLSUKYQCZRRDEM-ZDUSSCGKSA-N 0 0 271.408 4.279 10 0 CIAERN Clc1ccc(Cl)c(CN[C@@H]2COc3ccccc32)c1 ZINC000087759420 260225537 /nfs/dbraw/zinc/22/55/37/260225537.db2.gz RKUDEBOSOHKCEE-CQSZACIVSA-N 0 0 294.181 4.217 10 0 CIAERN CCCn1ccc(CNc2ccc(-c3cnco3)cc2)c1 ZINC000091012385 260264810 /nfs/dbraw/zinc/26/48/10/260264810.db2.gz GXMGJZPZMXCJBD-UHFFFAOYSA-N 0 0 281.359 4.165 10 0 CIAERN CCCn1ccc(CNc2cccc3ccc(C)nc32)c1 ZINC000091015745 260264818 /nfs/dbraw/zinc/26/48/18/260264818.db2.gz DBFAEOMBSQRMJP-UHFFFAOYSA-N 0 0 279.387 4.367 10 0 CIAERN CCCn1ccc(CN[C@@H](C)c2c(F)cccc2F)c1 ZINC000091012338 260264829 /nfs/dbraw/zinc/26/48/29/260264829.db2.gz FYZICAZZSYYCNO-LBPRGKRZSA-N 0 0 278.346 4.027 10 0 CIAERN Cc1cc(Br)cnc1N[C@H](C)c1cccs1 ZINC000086707357 260396049 /nfs/dbraw/zinc/39/60/49/260396049.db2.gz OZXDJJRLLIPWOC-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN C[C@H](Nc1ncc(Cl)cc1F)c1cccs1 ZINC000086710297 260396267 /nfs/dbraw/zinc/39/62/67/260396267.db2.gz WULKMRRDRGIHIX-ZETCQYMHSA-N 0 0 256.733 4.109 10 0 CIAERN COCc1ccccc1NCc1c(Cl)cccc1OC ZINC000092154970 260486837 /nfs/dbraw/zinc/48/68/37/260486837.db2.gz AWOVIKAMLUOZAO-UHFFFAOYSA-N 0 0 291.778 4.107 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2ccccc2Cl)cc1F ZINC000088234847 260663806 /nfs/dbraw/zinc/66/38/06/260663806.db2.gz HTRXKJXGAUPNAH-LLVKDONJSA-N 0 0 291.753 4.279 10 0 CIAERN Cc1nc(CN[C@@H](C)c2ccc(F)c(Cl)c2)sc1C ZINC000153904052 261085178 /nfs/dbraw/zinc/08/51/78/261085178.db2.gz PVYFSXKZMPTTQH-VIFPVBQESA-N 0 0 298.814 4.403 10 0 CIAERN CO[C@@H](CCC(=O)c1ccccc1)c1ccccc1 ZINC000001041992 261195058 /nfs/dbraw/zinc/19/50/58/261195058.db2.gz OLBTXPZIOASUQE-KRWDZBQOSA-N 0 0 254.329 4.037 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccsc2)o1 ZINC000162311965 261276412 /nfs/dbraw/zinc/27/64/12/261276412.db2.gz MJXAHELSYTXUOS-ZDUSSCGKSA-N 0 0 290.388 4.409 10 0 CIAERN C[C@H](CNc1cncc(Br)c1)c1ccsc1 ZINC000301420232 261333744 /nfs/dbraw/zinc/33/37/44/261333744.db2.gz HVRMLDAMUVVOLG-SECBINFHSA-N 0 0 297.221 4.121 10 0 CIAERN CCCOc1ccccc1N[C@H](C)c1cncs1 ZINC000165278230 261367586 /nfs/dbraw/zinc/36/75/86/261367586.db2.gz MIVCIXSPAPTZQW-LLVKDONJSA-N 0 0 262.378 4.105 10 0 CIAERN Cc1nc(-c2cccc(Cl)c2)nc(Cl)c1C ZINC000037947839 261404568 /nfs/dbraw/zinc/40/45/68/261404568.db2.gz IAQSKGIDNPLYED-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN CCCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173947172 261551038 /nfs/dbraw/zinc/55/10/38/261551038.db2.gz GDCWPSYGHIAACG-CYBMUJFWSA-N 0 0 294.464 4.163 10 0 CIAERN C[C@@H]1C[C@@H](Nc2cccc(-c3nnco3)c2)CC(C)(C)C1 ZINC000020187354 262197698 /nfs/dbraw/zinc/19/76/98/262197698.db2.gz ZMZOATHXTNNJPX-IUODEOHRSA-N 0 0 285.391 4.363 10 0 CIAERN CC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000188492424 262300908 /nfs/dbraw/zinc/30/09/08/262300908.db2.gz VAZGSGAXXGZFMS-BDAKNGLRSA-N 0 0 259.802 4.015 10 0 CIAERN C[C@@H](Nc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000276911542 263038561 /nfs/dbraw/zinc/03/85/61/263038561.db2.gz PDFGOHYXBYIUJS-ZCFIWIBFSA-N 0 0 278.324 4.397 10 0 CIAERN CC(=O)c1c(F)cccc1N[C@H]1CCc2ccccc21 ZINC000048391454 263817334 /nfs/dbraw/zinc/81/73/34/263817334.db2.gz VWDFWNNUTYETNW-HNNXBMFYSA-N 0 0 269.319 4.128 10 0 CIAERN CS[C@@H]1CC[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000425350345 264025165 /nfs/dbraw/zinc/02/51/65/264025165.db2.gz LJIDYXKKIDMRLW-WDEREUQCSA-N 0 0 261.312 4.011 10 0 CIAERN Cc1cc([C@@H](C)Nc2ccnc(Cl)c2)c(C)o1 ZINC000129663242 264330487 /nfs/dbraw/zinc/33/04/87/264330487.db2.gz LZFAULHFQCSVLE-SECBINFHSA-N 0 0 250.729 4.118 10 0 CIAERN C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1cccs1 ZINC000090802921 264412002 /nfs/dbraw/zinc/41/20/02/264412002.db2.gz MZOVSWMUJHRBSB-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN CC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C ZINC000094351209 265238320 /nfs/dbraw/zinc/23/83/20/265238320.db2.gz OWMNUIJOZXJEEK-LLVKDONJSA-N 0 0 291.288 4.009 10 0 CIAERN CC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(C)C ZINC000094597841 265245571 /nfs/dbraw/zinc/24/55/71/265245571.db2.gz AKFUXUZZHACAQR-GFCCVEGCSA-N 0 0 291.288 4.009 10 0 CIAERN CCOc1ccccc1[C@@H](C)Nc1cc(OC)ccc1F ZINC000094854073 265263240 /nfs/dbraw/zinc/26/32/40/265263240.db2.gz QUUGPFVKJNNJNU-GFCCVEGCSA-N 0 0 289.350 4.406 10 0 CIAERN CCc1csc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000094957966 265279266 /nfs/dbraw/zinc/27/92/66/265279266.db2.gz SMIPYHWBYZUCIR-JTQLQIEISA-N 0 0 264.369 4.326 10 0 CIAERN Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116044000 267121005 /nfs/dbraw/zinc/12/10/05/267121005.db2.gz MVPKZVVKNJHRAZ-WBVHZDCISA-N 0 0 297.398 4.445 10 0 CIAERN O=C(CCCc1cccs1)N1CCC[C@@H]1c1ccco1 ZINC000116048136 267121077 /nfs/dbraw/zinc/12/10/77/267121077.db2.gz NOJVEGAHDLDNMA-CQSZACIVSA-N 0 0 289.400 4.028 10 0 CIAERN C[C@@H]1C[C@@H](NCC(F)(F)F)C[C@H](c2ccccc2)C1 ZINC000388536960 327885685 /nfs/dbraw/zinc/88/56/85/327885685.db2.gz PTXXIYSHZFHBLQ-IACUBPJLSA-N 0 0 271.326 4.111 10 0 CIAERN C[C@H](N[C@H]1CCCCc2ccccc21)c1cscn1 ZINC000534328670 328045899 /nfs/dbraw/zinc/04/58/99/328045899.db2.gz FEFZWNKCZWEIAY-WFASDCNBSA-N 0 0 272.417 4.261 10 0 CIAERN C[C@H](N[C@@H]1CCCCc2ccccc21)c1cscn1 ZINC000534328669 328045999 /nfs/dbraw/zinc/04/59/99/328045999.db2.gz FEFZWNKCZWEIAY-SWLSCSKDSA-N 0 0 272.417 4.261 10 0 CIAERN Cc1cnc([C@@H](C)NCc2cccc(Cl)c2Cl)o1 ZINC000220925916 329204140 /nfs/dbraw/zinc/20/41/40/329204140.db2.gz PXELESZBAPMAMR-SECBINFHSA-N 0 0 285.174 4.141 10 0 CIAERN CC(C)[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000048851144 328325591 /nfs/dbraw/zinc/32/55/91/328325591.db2.gz BQWDIFNVOZCQCV-NHYWBVRUSA-N 0 0 294.826 4.135 10 0 CIAERN CC(C)c1cc(N[C@H](C)c2ccc(Cl)cc2)ncn1 ZINC000049526147 328367782 /nfs/dbraw/zinc/36/77/82/328367782.db2.gz RSDICFJUAXZFNT-LLVKDONJSA-N 0 0 275.783 4.427 10 0 CIAERN CCc1ccc(NCc2ccnc3ccccc23)cc1 ZINC000111788400 328377915 /nfs/dbraw/zinc/37/79/15/328377915.db2.gz IASCREHROOYERQ-UHFFFAOYSA-N 0 0 262.356 4.409 10 0 CIAERN Clc1cccnc1N[C@@H]1CCCc2ccccc21 ZINC000049933781 328381260 /nfs/dbraw/zinc/38/12/60/328381260.db2.gz OYYWXCCVLKYMAD-CQSZACIVSA-N 0 0 258.752 4.225 10 0 CIAERN Clc1cccnc1N[C@H]1CCCc2ccccc21 ZINC000049933780 328381413 /nfs/dbraw/zinc/38/14/13/328381413.db2.gz OYYWXCCVLKYMAD-AWEZNQCLSA-N 0 0 258.752 4.225 10 0 CIAERN CC[C@@H](Nc1ncnc2sccc21)c1ccccc1 ZINC000050197658 328391239 /nfs/dbraw/zinc/39/12/39/328391239.db2.gz SFDWGQILJSYAAK-CYBMUJFWSA-N 0 0 269.373 4.255 10 0 CIAERN C[C@H](NC(=O)C1(C)CC1)c1c(Cl)ccc(F)c1Cl ZINC000125122415 328434905 /nfs/dbraw/zinc/43/49/05/328434905.db2.gz JIVDRGUMQVUGAP-ZETCQYMHSA-N 0 0 290.165 4.110 10 0 CIAERN CC(C)[C@H](C)NC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000112739876 328447576 /nfs/dbraw/zinc/44/75/76/328447576.db2.gz RCKIQRSYXLXPOK-HOCLYGCPSA-N 0 0 276.424 4.070 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccccc1 ZINC000070250754 328535076 /nfs/dbraw/zinc/53/50/76/328535076.db2.gz RYRBAJCXWFCXIY-LBPRGKRZSA-N 0 0 273.763 4.173 10 0 CIAERN Cc1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc(C)c1Cl ZINC000442794727 328548417 /nfs/dbraw/zinc/54/84/17/328548417.db2.gz APEWNNFHGAXFQD-BPLDGKMQSA-N 0 0 279.811 4.182 10 0 CIAERN C[C@H]1C[C@@H](Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000036955067 326878272 /nfs/dbraw/zinc/87/82/72/326878272.db2.gz OWGBBVQEQROHQE-XJKSGUPXSA-N 0 0 288.435 4.015 10 0 CIAERN C[C@@H]1C[C@@H](Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000036955066 326878397 /nfs/dbraw/zinc/87/83/97/326878397.db2.gz OWGBBVQEQROHQE-CZUORRHYSA-N 0 0 288.435 4.015 10 0 CIAERN C[C@@H]1C[C@H](Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000036955064 326878398 /nfs/dbraw/zinc/87/83/98/326878398.db2.gz OWGBBVQEQROHQE-CJNGLKHVSA-N 0 0 288.435 4.015 10 0 CIAERN Cc1cc(N[C@@H](c2cccs2)C(C)(C)C)ncn1 ZINC000301578080 326984223 /nfs/dbraw/zinc/98/42/23/326984223.db2.gz REQRUUZQFRSKCW-ZDUSSCGKSA-N 0 0 261.394 4.046 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)C/C=C\c2cccc(F)c2)o1 ZINC000255809493 327018133 /nfs/dbraw/zinc/01/81/33/327018133.db2.gz QASCVKTZRGWUTC-RYWCDNDXSA-N 0 0 287.334 4.008 10 0 CIAERN C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccs1 ZINC000255848038 327020961 /nfs/dbraw/zinc/02/09/61/327020961.db2.gz TWEBBOUMRFXHKY-DTRQGZQOSA-N 0 0 289.375 4.168 10 0 CIAERN Cc1ccccc1[C@H](C)NC(=O)N(C)[C@@H](C)c1ccco1 ZINC000069620499 327100267 /nfs/dbraw/zinc/10/02/67/327100267.db2.gz GUQWAJHNRXFYME-KBPBESRZSA-N 0 0 286.375 4.052 10 0 CIAERN CCCn1ccc(CNc2ccc(Br)cc2)c1 ZINC000091009271 327182679 /nfs/dbraw/zinc/18/26/79/327182679.db2.gz JKZOATWWMPJFID-UHFFFAOYSA-N 0 0 293.208 4.273 10 0 CIAERN Cc1c(Br)cccc1N[C@H](C)c1cncs1 ZINC000134490777 327493545 /nfs/dbraw/zinc/49/35/45/327493545.db2.gz DSVVLQXTVWZXNF-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN CCc1ccc([C@@H](C)Nc2cnc3ccccc3n2)cc1 ZINC000052076628 328638445 /nfs/dbraw/zinc/63/84/45/328638445.db2.gz KUXYOPLYMXMISH-CYBMUJFWSA-N 0 0 277.371 4.365 10 0 CIAERN CCS[C@H]1CC[C@@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000218049391 329066972 /nfs/dbraw/zinc/06/69/72/329066972.db2.gz DCHGSNYNHNMDRW-MNOVXSKESA-N 0 0 297.855 4.094 10 0 CIAERN Cc1ccc([C@H]2CCCCN2c2ccnc(C(C)C)n2)o1 ZINC000172766095 329138440 /nfs/dbraw/zinc/13/84/40/329138440.db2.gz RNPYSTRMUVHPOR-CQSZACIVSA-N 0 0 285.391 4.233 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2Cc2nc(C)c(C)s2)o1 ZINC000176382437 329174940 /nfs/dbraw/zinc/17/49/40/329174940.db2.gz VDNPIDHBBREDIV-AWEZNQCLSA-N 0 0 290.432 4.389 10 0 CIAERN C[C@H](c1nc2ccccc2o1)N1CCC[C@@H]1c1ccco1 ZINC000181114591 329226324 /nfs/dbraw/zinc/22/63/24/329226324.db2.gz ZKFIWMIOPKLZOM-TZMCWYRMSA-N 0 0 282.343 4.319 10 0 CIAERN CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(Cl)cc1Cl ZINC000223980630 329241643 /nfs/dbraw/zinc/24/16/43/329241643.db2.gz YCYURHISHPNKJE-NOZJJQNGSA-N 0 0 276.207 4.069 10 0 CIAERN CC(C)c1cnc(CN2CCC[C@H]2c2ccco2)s1 ZINC000183065965 329247081 /nfs/dbraw/zinc/24/70/81/329247081.db2.gz QJUQBRIBGOOEFL-LBPRGKRZSA-N 0 0 276.405 4.197 10 0 CIAERN CC(C)c1cnc(CN2CCC[C@@H]2c2ccco2)s1 ZINC000183065943 329247116 /nfs/dbraw/zinc/24/71/16/329247116.db2.gz QJUQBRIBGOOEFL-GFCCVEGCSA-N 0 0 276.405 4.197 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(C3CC3)cc2)o1 ZINC000190515778 329398760 /nfs/dbraw/zinc/39/87/60/329398760.db2.gz MZLRFKDUXNUMRU-CYBMUJFWSA-N 0 0 298.386 4.026 10 0 CIAERN CCc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116476795 329545316 /nfs/dbraw/zinc/54/53/16/329545316.db2.gz TWVGCWDHYKDYSY-HNNXBMFYSA-N 0 0 284.359 4.211 10 0 CIAERN C[C@@H](NC(=O)c1ccsc1)c1ccc(F)cc1Cl ZINC000124385616 329569864 /nfs/dbraw/zinc/56/98/64/329569864.db2.gz KPLRHIMHKVOHTD-MRVPVSSYSA-N 0 0 283.755 4.032 10 0 CIAERN C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000124486801 329570870 /nfs/dbraw/zinc/57/08/70/329570870.db2.gz ZGTGPHSLIGAKJY-XJKSGUPXSA-N 0 0 298.386 4.060 10 0 CIAERN Cc1cc([C@H](C)N[C@H](C)c2csc(C)n2)c(C)o1 ZINC000044729764 329593661 /nfs/dbraw/zinc/59/36/61/329593661.db2.gz SKUYHKZEMUECDE-VHSXEESVSA-N 0 0 264.394 4.073 10 0 CIAERN Cc1csc([C@H](C)NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000245735462 329745116 /nfs/dbraw/zinc/74/51/16/329745116.db2.gz QTTFSVSZPPVOSD-KGYLQXTDSA-N 0 0 294.464 4.091 10 0 CIAERN C[C@H](c1cccnc1)N(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000245759558 329746696 /nfs/dbraw/zinc/74/66/96/329746696.db2.gz VHIHSECOUUBQBG-FMKPAKJESA-N 0 0 288.435 4.063 10 0 CIAERN CC[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccncc1 ZINC000248562014 329892031 /nfs/dbraw/zinc/89/20/31/329892031.db2.gz MQRLMXFYPBCWHR-BMFZPTHFSA-N 0 0 288.435 4.111 10 0 CIAERN C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)c2ccccc21 ZINC000162734824 330110781 /nfs/dbraw/zinc/11/07/81/330110781.db2.gz NKGHRUOIAJPZJF-WBMJQRKESA-N 0 0 285.412 4.045 10 0 CIAERN C[C@H]1CC[C@H](NC(=O)Cc2cccs2)c2ccccc21 ZINC000162734929 330110797 /nfs/dbraw/zinc/11/07/97/330110797.db2.gz NKGHRUOIAJPZJF-LRDDRELGSA-N 0 0 285.412 4.045 10 0 CIAERN CCn1nc(C)c([C@@H](C)Nc2cccc(Cl)c2)c1C ZINC000045167465 330340591 /nfs/dbraw/zinc/34/05/91/330340591.db2.gz NUFAMJSENPMPNR-SNVBAGLBSA-N 0 0 277.799 4.346 10 0 CIAERN CCc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000055274633 330364069 /nfs/dbraw/zinc/36/40/69/330364069.db2.gz VXSUMPGEHBQCBO-UONOGXRCSA-N 0 0 299.336 4.100 10 0 CIAERN CCC(CC)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119064460 330369643 /nfs/dbraw/zinc/36/96/43/330369643.db2.gz JLTFSNCEZWHBJG-NEPJUHHUSA-N 0 0 279.346 4.050 10 0 CIAERN CC[C@H](Nc1ccncc1Cl)c1cccs1 ZINC000086833122 330371105 /nfs/dbraw/zinc/37/11/05/330371105.db2.gz ZGRCYISQLGERBY-JTQLQIEISA-N 0 0 252.770 4.360 10 0 CIAERN CC[C@H](Nc1nc(C(C)C)ns1)c1cccs1 ZINC000087641334 330373867 /nfs/dbraw/zinc/37/38/67/330373867.db2.gz HGTQCIOTYOBIBH-VIFPVBQESA-N 0 0 267.423 4.286 10 0 CIAERN Nc1ccc(-c2ccccc2F)cc1C(F)(F)F ZINC000047205843 330381479 /nfs/dbraw/zinc/38/14/79/330381479.db2.gz RKNRHWNUEGNQHB-UHFFFAOYSA-N 0 0 255.214 4.094 10 0 CIAERN CCC[C@](O)(CC)c1ccc(OC)cc1C(F)(F)F ZINC000536950252 330382244 /nfs/dbraw/zinc/38/22/44/330382244.db2.gz NHISMLPSZZLFPO-CYBMUJFWSA-N 0 0 276.298 4.112 10 0 CIAERN CCn1ccnc1CNc1ccccc1Oc1ccccc1 ZINC000194872690 331069377 /nfs/dbraw/zinc/06/93/77/331069377.db2.gz GALFJTSASPLEBF-UHFFFAOYSA-N 0 0 293.370 4.307 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccc(C(F)(F)F)nn2)cc1F ZINC000164654776 331274749 /nfs/dbraw/zinc/27/47/49/331274749.db2.gz JETVHQGVBFBIHH-VIFPVBQESA-N 0 0 299.271 4.116 10 0 CIAERN Cc1ccc(N[C@@H](C)c2cncs2)c2cccnc12 ZINC000165594832 331306263 /nfs/dbraw/zinc/30/62/63/331306263.db2.gz WSXWNUYWNDGADI-NSHDSACASA-N 0 0 269.373 4.173 10 0 CIAERN C[C@H](NC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000501693666 332638904 /nfs/dbraw/zinc/63/89/04/332638904.db2.gz UZNQWQFRFSPHOI-ZDUSSCGKSA-N 0 0 296.370 4.399 10 0 CIAERN CCC(CC)(CC)NC(=O)N[C@@H](C)c1cccs1 ZINC000173424162 332971381 /nfs/dbraw/zinc/97/13/81/332971381.db2.gz KYTGFBIKOOEDJE-NSHDSACASA-N 0 0 268.426 4.077 10 0 CIAERN C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1cccs1 ZINC000175752823 333031562 /nfs/dbraw/zinc/03/15/62/333031562.db2.gz CGWIHUYATRJRKM-UXONFWTHSA-N 0 0 289.375 4.168 10 0 CIAERN C[C@@H](NC(=O)[C@H](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000178387590 333071909 /nfs/dbraw/zinc/07/19/09/333071909.db2.gz JIWYSUIXFWPMPN-RKDXNWHRSA-N 0 0 286.202 4.217 10 0 CIAERN CC[C@@H](C)CN(CC)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000178424206 333072649 /nfs/dbraw/zinc/07/26/49/333072649.db2.gz JZQZOAYMYCTWDL-NEPJUHHUSA-N 0 0 298.377 4.103 10 0 CIAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000087409548 333083557 /nfs/dbraw/zinc/08/35/57/333083557.db2.gz UHSVRCTWWZZLKN-JTQLQIEISA-N 0 0 297.324 4.229 10 0 CIAERN Cc1cnc([C@H](C)NCc2csc3ccccc23)o1 ZINC000220908853 333170535 /nfs/dbraw/zinc/17/05/35/333170535.db2.gz POKLVFNYTZRPMR-NSHDSACASA-N 0 0 272.373 4.049 10 0 CIAERN Cc1cnc([C@@H](C)NCc2ccc(C(C)(C)C)cc2)o1 ZINC000220925625 333170974 /nfs/dbraw/zinc/17/09/74/333170974.db2.gz XZEWLZAINRPBGG-CYBMUJFWSA-N 0 0 272.392 4.131 10 0 CIAERN CCC[C@@H](C)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187670079 333173545 /nfs/dbraw/zinc/17/35/45/333173545.db2.gz KVUFRAMAXHAUAE-OLZOCXBDSA-N 0 0 296.480 4.003 10 0 CIAERN CSc1ccc(Br)c(C(F)(F)F)c1 ZINC000199715822 333181332 /nfs/dbraw/zinc/18/13/32/333181332.db2.gz PKANYCAJYPJIMS-UHFFFAOYSA-N 0 0 271.101 4.190 10 0 CIAERN CCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1cccc2ccccc21 ZINC000190664664 333209480 /nfs/dbraw/zinc/20/94/80/333209480.db2.gz JNENZHKWUHMILW-GDBMZVCRSA-N 0 0 297.398 4.008 10 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CCc1ccc([C@H](C)NC(=O)CCc2ccccc2C)cc1 ZINC000242577501 333425014 /nfs/dbraw/zinc/42/50/14/333425014.db2.gz CGOIBWZPPWXOKI-INIZCTEOSA-N 0 0 295.426 4.367 10 0 CIAERN C[C@H](NC(=O)CC1CCCC1)c1ccc2c(c1)CCCC2 ZINC000242546512 333425021 /nfs/dbraw/zinc/42/50/21/333425021.db2.gz BZGNJJIERIHZFJ-AWEZNQCLSA-N 0 0 285.431 4.323 10 0 CIAERN CC[C@H](Nc1ccccc1C)c1ccc2c(c1)CCO2 ZINC000037216458 333515848 /nfs/dbraw/zinc/51/58/48/333515848.db2.gz JXUDDEUGLUMANY-INIZCTEOSA-N 0 0 267.372 4.493 10 0 CIAERN CC(=O)Nc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1F ZINC000037768224 333538146 /nfs/dbraw/zinc/53/81/46/333538146.db2.gz ZUKNCXWCAPGKTO-BXUZGUMPSA-N 0 0 292.398 4.411 10 0 CIAERN Nc1cccc2c1CCCN2Cc1cc(F)ccc1Cl ZINC000124516775 333559584 /nfs/dbraw/zinc/55/95/84/333559584.db2.gz PZLYCFZEQYSFDM-UHFFFAOYSA-N 0 0 290.769 4.014 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)o1 ZINC000126120888 333590751 /nfs/dbraw/zinc/59/07/51/333590751.db2.gz BKUUJZHWGCYAQH-DOTOQJQBSA-N 0 0 297.398 4.445 10 0 CIAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccco2)cc1 ZINC000127426719 333628970 /nfs/dbraw/zinc/62/89/70/333628970.db2.gz XNDQWGYDNLYBQL-ZWKOTPCHSA-N 0 0 297.398 4.165 10 0 CIAERN FC(F)(F)[C@H]1CCCN(c2ccnc3ccsc32)C1 ZINC000174671260 335163015 /nfs/dbraw/zinc/16/30/15/335163015.db2.gz NPEMVMCDNAZPOG-VIFPVBQESA-N 0 0 286.322 4.075 10 0 CIAERN CC(C)CCCNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000071869605 333888282 /nfs/dbraw/zinc/88/82/82/333888282.db2.gz MOYSMDWCKKXVMD-GFCCVEGCSA-N 0 0 282.815 4.136 10 0 CIAERN C[C@H](C1CC1)N(C(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000073432767 333972558 /nfs/dbraw/zinc/97/25/58/333972558.db2.gz HIKLEMQWRDCFQY-ACJLOTCBSA-N 0 0 298.430 4.037 10 0 CIAERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000073434362 333972616 /nfs/dbraw/zinc/97/26/16/333972616.db2.gz IIMUPERJWLZKCI-KGLIPLIRSA-N 0 0 299.336 4.154 10 0 CIAERN Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000073434289 333972617 /nfs/dbraw/zinc/97/26/17/333972617.db2.gz RPRMRAJXGOXMRC-ZIAGYGMSSA-N 0 0 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/nfs/dbraw/zinc/53/79/42/335537942.db2.gz VNIZUSLAGGOGGO-AWEZNQCLSA-N 0 0 277.371 4.420 10 0 CIAERN Cc1ncsc1CNc1nc2c(ccc(F)c2C)s1 ZINC000181865580 335789132 /nfs/dbraw/zinc/78/91/32/335789132.db2.gz HZRZUFKIZQTXHQ-UHFFFAOYSA-N 0 0 293.392 4.121 10 0 CIAERN CC[C@H](Nc1ccc(OC(F)F)cn1)c1ccccc1 ZINC000380846474 336036570 /nfs/dbraw/zinc/03/65/70/336036570.db2.gz RDIQDPCATVJYLT-ZDUSSCGKSA-N 0 0 278.302 4.246 10 0 CIAERN CCNc1cc(C(F)F)nc2c(Cl)cc(F)cc12 ZINC000061629648 520265587 /nfs/dbraw/zinc/26/55/87/520265587.db2.gz MJEMXEVHGVZJLU-UHFFFAOYSA-N 0 0 274.673 4.397 10 0 CIAERN CCNc1cc(C)nc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000050864601 520269998 /nfs/dbraw/zinc/26/99/98/520269998.db2.gz QFVCIHBKSBETPK-UHFFFAOYSA-N 0 0 282.174 4.191 10 0 CIAERN CCNc1ccc(CSC2CCCCC2)cn1 ZINC000050839004 520303687 /nfs/dbraw/zinc/30/36/87/520303687.db2.gz KEYKTZQXJWQRQG-UHFFFAOYSA-N 0 0 250.411 4.079 10 0 CIAERN C[C@@H](Cc1cccc(F)c1)Nc1nc2ccccc2o1 ZINC000301297720 534243077 /nfs/dbraw/zinc/24/30/77/534243077.db2.gz 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/nfs/dbraw/zinc/01/53/78/521015378.db2.gz MFSOJYOFSICQOT-LLVKDONJSA-N 0 0 271.813 4.046 10 0 CIAERN CCCC[C@H](CC)COCc1nnsc1NCCC ZINC000050832309 521180991 /nfs/dbraw/zinc/18/09/91/521180991.db2.gz VRVITROAXIHKHW-LBPRGKRZSA-N 0 0 285.457 4.093 10 0 CIAERN CCC(=O)Nc1ccc(C(C)(C)C)cc1Br ZINC000065001094 521200406 /nfs/dbraw/zinc/20/04/06/521200406.db2.gz LSRMQKPWFDBWTJ-UHFFFAOYSA-N 0 0 284.197 4.095 10 0 CIAERN CCC(=O)c1ccc(-c2ccc(Cl)cc2F)o1 ZINC000054106822 521238618 /nfs/dbraw/zinc/23/86/18/521238618.db2.gz JTNQHZQWUZXDSJ-UHFFFAOYSA-N 0 0 252.672 4.332 10 0 CIAERN CCC(=O)c1ccc(-c2ccccc2COC)s1 ZINC000049510967 521239944 /nfs/dbraw/zinc/23/99/44/521239944.db2.gz SRHXMELQHMWPHG-UHFFFAOYSA-N 0 0 260.358 4.154 10 0 CIAERN CCCCc1nc(Cl)c(CN[C@H](C)c2ccc(C)o2)[nH]1 ZINC000088398898 521305240 /nfs/dbraw/zinc/30/52/40/521305240.db2.gz WYLXEZQMJWFSKO-LLVKDONJSA-N 0 0 295.814 4.158 10 0 CIAERN CCN(Cc1ccc(Cl)cc1N)c1cccc(C)c1 ZINC000050443021 521310167 /nfs/dbraw/zinc/31/01/67/521310167.db2.gz 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524521693 /nfs/dbraw/zinc/52/16/93/524521693.db2.gz AMGVSYCXRJSXOJ-LBPRGKRZSA-N 0 0 275.779 4.470 10 0 CIAERN C[C@H](Cc1ccco1)Nc1ccc(F)cc1Cl ZINC000062769854 524748394 /nfs/dbraw/zinc/74/83/94/524748394.db2.gz BHUVFEFEGPLLGB-SECBINFHSA-N 0 0 253.704 4.115 10 0 CIAERN Cc1ccc(Cl)cc1NCCOCCC(C)C ZINC000049265334 524756625 /nfs/dbraw/zinc/75/66/25/524756625.db2.gz OVFFNGHXJJXKIO-UHFFFAOYSA-N 0 0 255.789 4.123 10 0 CIAERN Cc1ccc(F)c(C(=O)C2(c3ccccc3)CC2)c1 ZINC000062780474 524779373 /nfs/dbraw/zinc/77/93/73/524779373.db2.gz XBVMPUXTERLGIZ-UHFFFAOYSA-N 0 0 254.304 4.049 10 0 CIAERN Cc1cccc(Oc2c(F)cc(C=O)cc2F)c1C ZINC000062708644 524785194 /nfs/dbraw/zinc/78/51/94/524785194.db2.gz ZGYKSDXSMKCJLH-UHFFFAOYSA-N 0 0 262.255 4.186 10 0 CIAERN C[C@H](N(C)c1nc(Cl)nc2ccccc21)C(C)(C)C ZINC000052811798 524816981 /nfs/dbraw/zinc/81/69/81/524816981.db2.gz HWEULXWCEPAJQZ-JTQLQIEISA-N 0 0 277.799 4.154 10 0 CIAERN C[C@@H](Cc1ccco1)Nc1ccc(F)cc1Cl ZINC000062769853 524930310 /nfs/dbraw/zinc/93/03/10/524930310.db2.gz BHUVFEFEGPLLGB-VIFPVBQESA-N 0 0 253.704 4.115 10 0 CIAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cccn2C)cc1 ZINC000083055152 525123783 /nfs/dbraw/zinc/12/37/83/525123783.db2.gz RCZRPNLEWPVJIH-QGZVFWFLSA-N 0 0 297.402 4.093 10 0 CIAERN Cc1ccc(NCCOCCC(C)C)c(Cl)c1 ZINC000049265677 525279197 /nfs/dbraw/zinc/27/91/97/525279197.db2.gz BHXAEWSZKDTMPD-UHFFFAOYSA-N 0 0 255.789 4.123 10 0 CIAERN Cc1ccc(NCc2c[nH]c3ccccc23)c(F)c1 ZINC000049136999 525281643 /nfs/dbraw/zinc/28/16/43/525281643.db2.gz ZDQGVNBIMAXQIF-UHFFFAOYSA-N 0 0 254.308 4.228 10 0 CIAERN Cc1ccccc1Oc1ccc([C@H](C)O)cc1Cl ZINC000061697588 525325647 /nfs/dbraw/zinc/32/56/47/525325647.db2.gz ARYVVHNNBLZTHB-NSHDSACASA-N 0 0 262.736 4.494 10 0 CIAERN Cc1ccccc1Oc1nc(Cl)nc2ccccc21 ZINC000052811365 525326037 /nfs/dbraw/zinc/32/60/37/525326037.db2.gz NGKHMXJQTHXEDA-UHFFFAOYSA-N 0 0 270.719 4.384 10 0 CIAERN Cc1ccccc1[C@@H](O)Cc1c(F)cccc1Cl ZINC000049346876 525377151 /nfs/dbraw/zinc/37/71/51/525377151.db2.gz CTUHEDJOHOXAJD-HNNXBMFYSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1ccc(Br)cn1 ZINC000049526021 525419065 /nfs/dbraw/zinc/41/90/65/525419065.db2.gz SPCBMJMLXFKVKI-NSHDSACASA-N 0 0 291.192 4.326 10 0 CIAERN Cc1cc([C@H](C)Nc2ccc(F)cc2N)c(C)s1 ZINC000049506124 525532032 /nfs/dbraw/zinc/53/20/32/525532032.db2.gz IIGVAFRMWTZDLJ-VIFPVBQESA-N 0 0 264.369 4.259 10 0 CIAERN Cc1cc([C@H](C)Nc2cc(N)cc(F)c2)c(C)s1 ZINC000049506239 525532175 /nfs/dbraw/zinc/53/21/75/525532175.db2.gz XOOFQCSREHXXBZ-VIFPVBQESA-N 0 0 264.369 4.259 10 0 CIAERN C[C@@H](NCc1nccs1)c1ccc(C(C)(C)C)cc1 ZINC000041011869 525562913 /nfs/dbraw/zinc/56/29/13/525562913.db2.gz OBADBKCHKARZNC-GFCCVEGCSA-N 0 0 274.433 4.291 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000274947663 525606832 /nfs/dbraw/zinc/60/68/32/525606832.db2.gz UQRRJBRXBHJTQN-ZJUUUORDSA-N 0 0 296.748 4.425 10 0 CIAERN C[C@H](Nc1cc(N)cc(F)c1)c1ccc(Cl)cc1 ZINC000049524982 525644765 /nfs/dbraw/zinc/64/47/65/525644765.db2.gz OZNAFEXENWHHBH-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1ccc(Cl)cn1)c1ccccc1F ZINC000049531076 525652573 /nfs/dbraw/zinc/65/25/73/525652573.db2.gz WSOIVIVSIBYMTM-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN C[C@H](Nc1ccc(Cl)cn1)c1ccc(F)cc1 ZINC000049509389 525652939 /nfs/dbraw/zinc/65/29/39/525652939.db2.gz HRDNXCHWQWOVBQ-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN Cc1ccc(Sc2ccc(C(F)(F)F)cn2)cc1N ZINC000061702061 525670360 /nfs/dbraw/zinc/67/03/60/525670360.db2.gz MAYLJVDLHDYZDX-UHFFFAOYSA-N 0 0 284.306 4.142 10 0 CIAERN Cc1ccc(Sc2nc3ccccc3s2)cc1N ZINC000061702045 525673159 /nfs/dbraw/zinc/67/31/59/525673159.db2.gz BQRZWIVSVNZFHX-UHFFFAOYSA-N 0 0 272.398 4.338 10 0 CIAERN C[C@H](Nc1cncc(Cl)n1)c1ccc(Cl)s1 ZINC000042291511 525674923 /nfs/dbraw/zinc/67/49/23/525674923.db2.gz SMCRFXYZCLLFLQ-LURJTMIESA-N 0 0 274.176 4.018 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cc1N)c1ccccc1F ZINC000049528871 525704249 /nfs/dbraw/zinc/70/42/49/525704249.db2.gz WXVCFSBBILRIIP-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cc1C(N)=S)c1cccs1 ZINC000052858282 525705406 /nfs/dbraw/zinc/70/54/06/525705406.db2.gz PVONVFWHRQGWQX-MRVPVSSYSA-N 0 0 296.848 4.209 10 0 CIAERN C[C@@H](Nc1cccc(F)c1N)c1ccccc1Cl ZINC000049506632 525717310 /nfs/dbraw/zinc/71/73/10/525717310.db2.gz KQXMYUDYNXANJM-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)C2CCCCC2)o1 ZINC000127468064 525797179 /nfs/dbraw/zinc/79/71/79/525797179.db2.gz HDNPJLBKFSEIQY-HNNXBMFYSA-N 0 0 275.392 4.222 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccsc2)o1 ZINC000127958445 525801978 /nfs/dbraw/zinc/80/19/78/525801978.db2.gz BBVKNHHVRBINCB-ZDUSSCGKSA-N 0 0 275.373 4.017 10 0 CIAERN C[C@H](O)c1ccc(N(C)c2cccc(F)c2)c(Cl)c1 ZINC000061696987 525855907 /nfs/dbraw/zinc/85/59/07/525855907.db2.gz UGNFHBDPZCNYFL-JTQLQIEISA-N 0 0 279.742 4.300 10 0 CIAERN C[C@H](O)c1ccccc1NCc1ccccc1Cl ZINC000049541925 525862262 /nfs/dbraw/zinc/86/22/62/525862262.db2.gz IEBZJQJYKCPSRG-NSHDSACASA-N 0 0 261.752 4.005 10 0 CIAERN C[C@@H](O)c1ccc(N(C)Cc2cccs2)c(Cl)c1 ZINC000061695361 525868585 /nfs/dbraw/zinc/86/85/85/525868585.db2.gz DLQPCENZPBDGNA-SNVBAGLBSA-N 0 0 281.808 4.091 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2)c(Cl)c1 ZINC000061697596 525870067 /nfs/dbraw/zinc/87/00/67/525870067.db2.gz PPRRKNLGBXXPCJ-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)cn2)o1 ZINC000274884400 525935112 /nfs/dbraw/zinc/93/51/12/525935112.db2.gz ICYVWXIBZKJGON-QWRGUYRKSA-N 0 0 264.756 4.048 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccc(N)cc2Cl)s1 ZINC000049153135 525948503 /nfs/dbraw/zinc/94/85/03/525948503.db2.gz QPQQVNVGMMGYDO-VIFPVBQESA-N 0 0 266.797 4.465 10 0 CIAERN Cc1cc(-c2ccc(Cl)cc2Cl)nc(=S)[nH]1 ZINC000062202966 526041193 /nfs/dbraw/zinc/04/11/93/526041193.db2.gz PDLQXUBNZVWPHM-UHFFFAOYSA-N 0 0 271.172 4.421 10 0 CIAERN Cc1cc(Br)cc2nc(C(C)C)oc21 ZINC000062536914 526160404 /nfs/dbraw/zinc/16/04/04/526160404.db2.gz GHJCTVZKQPCUNT-UHFFFAOYSA-N 0 0 254.127 4.022 10 0 CIAERN Cc1ccc2c(n1)nc(C)cc2N(C)c1ccccc1 ZINC000047162330 526223966 /nfs/dbraw/zinc/22/39/66/526223966.db2.gz RJVXLVWUOVRDQT-UHFFFAOYSA-N 0 0 263.344 4.015 10 0 CIAERN Fc1cc2nc(Cc3cccc(Cl)c3)[nH]c2cc1F ZINC000055306051 526312389 /nfs/dbraw/zinc/31/23/89/526312389.db2.gz TWBBOBZRYCTGEQ-UHFFFAOYSA-N 0 0 278.689 4.085 10 0 CIAERN Fc1ccc([C@@H]2CNc3cc(Cl)ccc3O2)cc1 ZINC000062540054 526365185 /nfs/dbraw/zinc/36/51/85/526365185.db2.gz MWGRLCAPNCCSIY-AWEZNQCLSA-N 0 0 263.699 4.025 10 0 CIAERN Fc1ccc2c(c1)NC[C@H](c1ccc(Cl)cc1)O2 ZINC000062540050 526371480 /nfs/dbraw/zinc/37/14/80/526371480.db2.gz SZLFUFHFGZHJDE-CQSZACIVSA-N 0 0 263.699 4.025 10 0 CIAERN Fc1cccc(F)c1Oc1cc(Cl)nc(C2CC2)n1 ZINC000156653714 526393928 /nfs/dbraw/zinc/39/39/28/526393928.db2.gz RACRHLHHOBQNGP-UHFFFAOYSA-N 0 0 282.677 4.078 10 0 CIAERN Cc1nc(C)c([C@H](C)Nc2c(N)cccc2Cl)s1 ZINC000049533792 526756378 /nfs/dbraw/zinc/75/63/78/526756378.db2.gz QEMZGVOKVUKNJN-QMMMGPOBSA-N 0 0 281.812 4.169 10 0 CIAERN Cc1sc2nc(-c3ccco3)nc(Cl)c2c1C ZINC000054444788 526887024 /nfs/dbraw/zinc/88/70/24/526887024.db2.gz HCHFFSWNHXQYGN-UHFFFAOYSA-N 0 0 264.737 4.222 10 0 CIAERN Cc1nc(COc2ccccc2)nc(Cl)c1C(C)C ZINC000061689141 526910368 /nfs/dbraw/zinc/91/03/68/526910368.db2.gz NMQDDRBQERDJNE-UHFFFAOYSA-N 0 0 276.767 4.141 10 0 CIAERN Clc1cc(-c2ccccc2)nc(Cc2cccs2)n1 ZINC000052900007 526924252 /nfs/dbraw/zinc/92/42/52/526924252.db2.gz HIHNZDBBHGBOLN-UHFFFAOYSA-N 0 0 286.787 4.449 10 0 CIAERN Cc1nc(Cn2c(=S)[nH]c3cccc(Cl)c32)cs1 ZINC000049534147 526943179 /nfs/dbraw/zinc/94/31/79/526943179.db2.gz SQUSZVRZTNOEJB-UHFFFAOYSA-N 0 0 295.820 4.166 10 0 CIAERN Clc1ccc(Cl)c(CN2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000061630454 526954673 /nfs/dbraw/zinc/95/46/73/526954673.db2.gz ZNNGFMKKQYIWSJ-NWDGAFQWSA-N 0 0 299.245 4.401 10 0 CIAERN O=C1CCCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055230640 526971031 /nfs/dbraw/zinc/97/10/31/526971031.db2.gz YZSKCNJBYIEDEF-LBPRGKRZSA-N 0 0 256.267 4.322 10 0 CIAERN O=C1CCCCC[C@@H]1c1ccccc1Br ZINC000062663604 526971366 /nfs/dbraw/zinc/97/13/66/526971366.db2.gz WLTNZVINUCENTB-LLVKDONJSA-N 0 0 267.166 4.066 10 0 CIAERN Clc1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000049135895 526980083 /nfs/dbraw/zinc/98/00/83/526980083.db2.gz UZEJYIJBFNPCLL-UHFFFAOYSA-N 0 0 256.736 4.433 10 0 CIAERN O=C1CCCc2nc(-c3cccc(Cl)c3F)sc21 ZINC000062606416 526985998 /nfs/dbraw/zinc/98/59/98/526985998.db2.gz QPMVGYFHJWHTDG-UHFFFAOYSA-N 0 0 281.739 4.122 10 0 CIAERN Clc1nc(-c2cccs2)nc2sccc21 ZINC000050790804 527002661 /nfs/dbraw/zinc/00/26/61/527002661.db2.gz NMSRJZDPTFQPIL-UHFFFAOYSA-N 0 0 252.751 4.073 10 0 CIAERN CC1=NC(=S)SC1c1cccc(Br)c1 ZINC000058003677 527013864 /nfs/dbraw/zinc/01/38/64/527013864.db2.gz LAZWNYAMRLOCAO-UHFFFAOYSA-N 0 0 286.219 4.170 10 0 CIAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccccc2C)cs1 ZINC000036915280 527033212 /nfs/dbraw/zinc/03/32/12/527033212.db2.gz IGMIELBIZCNEJV-NWDGAFQWSA-N 0 0 260.406 4.172 10 0 CIAERN NC(=S)c1c(Cl)cccc1Oc1ccc(F)c(F)c1 ZINC000052908494 527113939 /nfs/dbraw/zinc/11/39/39/527113939.db2.gz JMJCLYITAZFBRM-UHFFFAOYSA-N 0 0 299.729 4.045 10 0 CIAERN Cc1nc2cc(Br)cc(C(C)C)c2o1 ZINC000062536954 527116150 /nfs/dbraw/zinc/11/61/50/527116150.db2.gz RFHNKZDSYMABMM-UHFFFAOYSA-N 0 0 254.127 4.022 10 0 CIAERN O=C(Cc1cc(F)ccc1Br)c1ccccc1 ZINC000053765092 527210804 /nfs/dbraw/zinc/21/08/04/527210804.db2.gz GZXIZOFXQHMRLP-UHFFFAOYSA-N 0 0 293.135 4.014 10 0 CIAERN Nc1cccc(Cl)c1SCc1ccnc(Cl)c1 ZINC000052709208 527518046 /nfs/dbraw/zinc/51/80/46/527518046.db2.gz UFGBHNDWQLIJHS-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN O[C@@H]1CCCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055230247 527668806 /nfs/dbraw/zinc/66/88/06/527668806.db2.gz OCMPXKVMUKMXCH-GXFFZTMASA-N 0 0 259.176 4.402 10 0 CIAERN C[C@@H]1C[C@H](C)C[C@@](O)(c2ccc(Br)cc2)C1 ZINC000675059335 570365471 /nfs/dbraw/zinc/36/54/71/570365471.db2.gz OJHBKJNGALVWPH-GNXNZQSNSA-N 0 0 283.209 4.093 10 0 CIAERN CC(C)C1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000675059004 570365496 /nfs/dbraw/zinc/36/54/96/570365496.db2.gz GLZJSTSDXVIOKK-UHFFFAOYSA-N 0 0 297.236 4.483 10 0 CIAERN CC[C@H](Sc1cc(Cl)cc(Cl)c1)C(C)=O ZINC000616572086 570409004 /nfs/dbraw/zinc/40/90/04/570409004.db2.gz JLAXPMDJDXEOCV-NSHDSACASA-N 0 0 263.189 4.453 10 0 CIAERN C[C@@H]1CC[C@@](O)(c2ccc(Br)cc2)C[C@H]1C ZINC000521401810 570340154 /nfs/dbraw/zinc/34/01/54/570340154.db2.gz QLUHOXPEOBDWGC-GYSYKLTISA-N 0 0 283.209 4.093 10 0 CIAERN CC(C)=CCC/C(C)=C/Cc1cc(O)cc2c1OC(=O)C2 ZINC000059587696 560082761 /nfs/dbraw/zinc/08/27/61/560082761.db2.gz BQSTWVNVLQVIEE-NTUHNPAUSA-N 0 0 286.371 4.089 10 0 biogenic,in-vitro CIAERN CC(C)=CCc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O ZINC000000899209 560179360 /nfs/dbraw/zinc/17/93/60/560179360.db2.gz WWFOQQIWOKJBSJ-SNAWJCMRSA-N 0 0 296.366 4.483 10 0 in-vitro CIAERN Cc1nccc(Cl)c1-c1ccc(Br)cc1 ZINC000667385372 566933296 /nfs/dbraw/zinc/93/32/96/566933296.db2.gz DMQIXWNQECZQKM-UHFFFAOYSA-N 0 0 282.568 4.473 10 0 CIAERN Cc1cc(C(F)F)nc2cc(Br)ccc12 ZINC000667395536 566933997 /nfs/dbraw/zinc/93/39/97/566933997.db2.gz YVWXCGWJVAXQJL-UHFFFAOYSA-N 0 0 272.092 4.243 10 0 CIAERN O=C1CCC[C@@H]1Sc1ccc(Cl)c(Cl)c1 ZINC000083867369 567027237 /nfs/dbraw/zinc/02/72/37/567027237.db2.gz SVBQLXHOPGVSDJ-NSHDSACASA-N 0 0 261.173 4.207 10 0 CIAERN O=C(CC1CC1)c1cc2ccc(Br)cc2o1 ZINC000675081279 567027246 /nfs/dbraw/zinc/02/72/46/567027246.db2.gz PJEPPFPKJOSUDZ-UHFFFAOYSA-N 0 0 279.133 4.178 10 0 CIAERN CC[C@H](C)c1ccccc1NC(=O)c1cccc(N)c1C ZINC000084847549 567032251 /nfs/dbraw/zinc/03/22/51/567032251.db2.gz SRRXLRCHKGGIEZ-LBPRGKRZSA-N 0 0 282.387 4.343 10 0 CIAERN C[C@H](O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000226272765 567039116 /nfs/dbraw/zinc/03/91/16/567039116.db2.gz LSWGWOJMFYROIE-ZDUSSCGKSA-N 0 0 291.350 4.145 10 0 CIAERN CNc1ccc2nc(-c3cccc(Cl)c3)oc2c1 ZINC000226270802 567039276 /nfs/dbraw/zinc/03/92/76/567039276.db2.gz SKYGTTFQHFAQCF-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN C[C@@H]1CC(C)(C)Nc2ccc(Br)cc21 ZINC000096958852 567040542 /nfs/dbraw/zinc/04/05/42/567040542.db2.gz RNAOSFOEEOEGFB-MRVPVSSYSA-N 0 0 254.171 4.147 10 0 CIAERN CCNc1ccc(N2CCCC[C@@H]2C)c(Br)c1 ZINC000226285074 567041100 /nfs/dbraw/zinc/04/11/00/567041100.db2.gz FDJKYXGXSDWFIW-NSHDSACASA-N 0 0 297.240 4.260 10 0 CIAERN CCNc1ccc2nc(-c3ccccc3C)oc2c1 ZINC000226284112 567041112 /nfs/dbraw/zinc/04/11/12/567041112.db2.gz MUYFIINNZHDFRS-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN CNc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226281189 567041144 /nfs/dbraw/zinc/04/11/44/567041144.db2.gz BKVAPXPOXCZMHF-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN CCNc1cc2nc(-c3cccc(F)c3)oc2c(C)c1 ZINC000226283513 567041288 /nfs/dbraw/zinc/04/12/88/567041288.db2.gz USAOEGUGBWBTNC-UHFFFAOYSA-N 0 0 270.307 4.374 10 0 CIAERN Cc1ccc2[nH]c(S[C@@H](C)c3ccccn3)nc2c1 ZINC000039372858 567088680 /nfs/dbraw/zinc/08/86/80/567088680.db2.gz UWUJHAHZXVCQFT-NSHDSACASA-N 0 0 269.373 4.120 10 0 CIAERN O=c1[nH]cc(-c2cccc(Cl)c2)cc1C(F)(F)F ZINC000616578662 567213705 /nfs/dbraw/zinc/21/37/05/567213705.db2.gz PCFLNJXJBJUYDZ-UHFFFAOYSA-N 0 0 273.641 4.126 10 0 CIAERN Clc1ccc(-c2ccncc2Br)cc1 ZINC000003880903 567854226 /nfs/dbraw/zinc/85/42/26/567854226.db2.gz JERVDTADAZZTBY-UHFFFAOYSA-N 0 0 268.541 4.165 10 0 CIAERN CCC(=O)c1sc(Nc2ccc(C(C)C)cc2)nc1N ZINC000032947611 567881733 /nfs/dbraw/zinc/88/17/33/567881733.db2.gz WMQMVWUMNIVWMW-UHFFFAOYSA-N 0 0 289.404 4.185 10 0 CIAERN FC(F)(Br)c1ccc(-c2ccco2)cc1 ZINC000584881310 567882760 /nfs/dbraw/zinc/88/27/60/567882760.db2.gz GVZDCAMSFKFLIC-UHFFFAOYSA-N 0 0 273.076 4.391 10 0 CIAERN FC(F)(Br)c1ccc(-c2ccncc2)cc1 ZINC000584881736 567882759 /nfs/dbraw/zinc/88/27/59/567882759.db2.gz OMOJJNYABDKOGR-UHFFFAOYSA-N 0 0 284.103 4.193 10 0 CIAERN CC(C)(C)OC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000406117628 567892789 /nfs/dbraw/zinc/89/27/89/567892789.db2.gz RNQFZNVPYXNKJE-FMIVXFBMSA-N 0 0 260.377 4.339 10 0 CIAERN O=Cc1ccccc1-c1cccc(Br)c1F ZINC000236131110 567892846 /nfs/dbraw/zinc/89/28/46/567892846.db2.gz YMVNYTWHBHHHII-UHFFFAOYSA-N 0 0 279.108 4.068 10 0 CIAERN Cc1nc2c(cc(Br)cc2F)n1C1CCCC1 ZINC000142804407 567906502 /nfs/dbraw/zinc/90/65/02/567906502.db2.gz XVDWZIXZMYBLBR-UHFFFAOYSA-N 0 0 297.171 4.361 10 0 CIAERN COc1ccccc1CSCC[Si](C)(C)C ZINC000725245525 567908144 /nfs/dbraw/zinc/90/81/44/567908144.db2.gz JNBWMZRFZXDOQG-UHFFFAOYSA-N 0 0 254.471 4.267 10 0 CIAERN CC(C)n1ccc(CSCC[Si](C)(C)C)n1 ZINC000725246611 567908528 /nfs/dbraw/zinc/90/85/28/567908528.db2.gz ZLXCZFWTKNBSPI-UHFFFAOYSA-N 0 0 256.491 4.035 10 0 CIAERN Cc1ccsc1C(=S)N[C@@H](C)c1ccccc1 ZINC000097673659 567910991 /nfs/dbraw/zinc/91/09/91/567910991.db2.gz YHRZYYZDSJBWSR-NSHDSACASA-N 0 0 261.415 4.083 10 0 CIAERN CCCCO[C@@H](C)OCCCC(F)(F)C(F)(F)F ZINC000098210580 567911636 /nfs/dbraw/zinc/91/16/36/567911636.db2.gz GHGUMHFLJSUIGC-SECBINFHSA-N 0 0 278.261 4.144 10 0 CIAERN Cc1cc2c(Cl)nsc2c(Br)c1 ZINC000725254138 567912878 /nfs/dbraw/zinc/91/28/78/567912878.db2.gz MLIOMORAUCTNKQ-UHFFFAOYSA-N 0 0 262.559 4.021 10 0 CIAERN F/C(=C/c1cccc(Br)c1)C(F)(F)F ZINC000725255053 567914845 /nfs/dbraw/zinc/91/48/45/567914845.db2.gz PRENYMLSFJWVNA-VMPITWQZSA-N 0 0 269.035 4.322 10 0 CIAERN CC(C)(C)OC(=O)N1CC(c2ccc(C(C)(C)C)cc2)C1 ZINC000396133115 567924587 /nfs/dbraw/zinc/92/45/87/567924587.db2.gz OOOJLKYFNXOLGM-UHFFFAOYSA-N 0 0 289.419 4.318 10 0 CIAERN Cn1cc(C(F)F)c(-c2ccc(C(F)F)c(F)c2)n1 ZINC000725270420 567924600 /nfs/dbraw/zinc/92/46/00/567924600.db2.gz MVDJWQUZOMJCKO-UHFFFAOYSA-N 0 0 276.208 4.101 10 0 CIAERN CCn1cc(C(F)F)c(-c2ccc(Cl)c(F)c2)n1 ZINC000725270393 567924856 /nfs/dbraw/zinc/92/48/56/567924856.db2.gz LSCGOXRVARBHLH-UHFFFAOYSA-N 0 0 274.673 4.300 10 0 CIAERN CC[C@@H](C)C(=O)c1cc2cccc(Br)c2o1 ZINC000161456747 567931956 /nfs/dbraw/zinc/93/19/56/567931956.db2.gz PBJDZRQYOWMRNO-MRVPVSSYSA-N 0 0 281.149 4.424 10 0 CIAERN Nc1c(F)ccc(-c2cscc2Br)c1F ZINC000675057090 567947321 /nfs/dbraw/zinc/94/73/21/567947321.db2.gz VNQMOHJQOCIYAB-UHFFFAOYSA-N 0 0 290.132 4.038 10 0 CIAERN Fc1ccccc1-c1cnc(F)c(C(F)(F)F)c1 ZINC000584880425 570228748 /nfs/dbraw/zinc/22/87/48/570228748.db2.gz ANQLZQTXJUCIEE-UHFFFAOYSA-N 0 0 259.177 4.046 10 0 CIAERN Fc1ccc(-c2cnc(F)c(C(F)(F)F)c2)cc1 ZINC000584880801 570228664 /nfs/dbraw/zinc/22/86/64/570228664.db2.gz IYMUMGRLOQEXEK-UHFFFAOYSA-N 0 0 259.177 4.046 10 0 CIAERN Brc1ncnc2scc(-c3cccs3)c21 ZINC000584882418 570229429 /nfs/dbraw/zinc/22/94/29/570229429.db2.gz GXHNMXVWQGUSPJ-UHFFFAOYSA-N 0 0 297.202 4.182 10 0 CIAERN Cc1ccc(-c2csc3ncnc(Br)c23)o1 ZINC000584882590 570229432 /nfs/dbraw/zinc/22/94/32/570229432.db2.gz PPSFUZLBLDMXMS-UHFFFAOYSA-N 0 0 295.161 4.022 10 0 CIAERN Cc1nn(C(C)C)cc1NCc1cc(F)cc(Cl)c1 ZINC000725242682 570254684 /nfs/dbraw/zinc/25/46/84/570254684.db2.gz VCQDZBXCULESJC-UHFFFAOYSA-N 0 0 281.762 4.177 10 0 CIAERN Cc1ccsc1C=C(Br)Br ZINC000145764318 570274051 /nfs/dbraw/zinc/27/40/51/570274051.db2.gz RNEKIRBNAKNHCS-UHFFFAOYSA-N 0 0 282.000 4.145 10 0 CIAERN CC(C)c1ccc(NC(=S)N[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC000215733764 570303605 /nfs/dbraw/zinc/30/36/05/570303605.db2.gz OBGJFCLOSKJLBE-BJJXKVORSA-N 0 0 286.444 4.061 10 0 CIAERN CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)ccc21 ZINC000199704915 570305567 /nfs/dbraw/zinc/30/55/67/570305567.db2.gz XQTJEKKGEABLHE-UHFFFAOYSA-N 0 0 259.425 4.307 10 0 CIAERN C[C@H](c1ccccc1)N1C[C@H]2C[C@H](c3ccccc3)[C@H]2C1=O ZINC000669372052 570350646 /nfs/dbraw/zinc/35/06/46/570350646.db2.gz HHSRBYJOZPIODD-AXUOBQJMSA-N 0 0 291.394 4.010 10 0 CIAERN CC(=O)O[C@H]1C[C@H](c2ccccc2)c2ccc(Cl)cc21 ZINC000210446529 570380827 /nfs/dbraw/zinc/38/08/27/570380827.db2.gz AKAOHRQUHQBUKN-WBVHZDCISA-N 0 0 286.758 4.480 10 0 CIAERN CC(=O)O[C@H]1C[C@@H](c2ccccc2)c2ccc(Cl)cc21 ZINC000210446566 570380842 /nfs/dbraw/zinc/38/08/42/570380842.db2.gz AKAOHRQUHQBUKN-RDJZCZTQSA-N 0 0 286.758 4.480 10 0 CIAERN Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1N ZINC000019264568 570407932 /nfs/dbraw/zinc/40/79/32/570407932.db2.gz YNQBRUGWZQVMEA-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN FC(F)(F)CNc1ccc(Br)c(Cl)c1 ZINC000232195129 570410565 /nfs/dbraw/zinc/41/05/65/570410565.db2.gz HCDDVIXPYXTJMZ-UHFFFAOYSA-N 0 0 288.494 4.077 10 0 CIAERN CCCCCCCCCCCC[C@H](C(=O)[O-])[N+](C)(C)C ZINC000102266476 717145868 /nfs/dbraw/zinc/14/58/68/717145868.db2.gz LVBSECZFJBGOCR-MRXNPFEDSA-O 0 0 286.480 4.457 10 0 CIAERN c1[nH]c2ncccc2c1-c1ccnc(NC2CCCCC2)c1 ZINC000095582909 185012347 /nfs/dbraw/zinc/01/23/47/185012347.db2.gz WKRDKCCCKLPHDU-UHFFFAOYSA-N 0 0 292.386 4.370 10 0 CIAERN COc1ccc(Cl)cc1C(C)(C)C(F)(F)F ZINC000095643063 185017175 /nfs/dbraw/zinc/01/71/75/185017175.db2.gz HMFJREILVFKMBF-UHFFFAOYSA-N 0 0 252.663 4.189 10 0 CIAERN CC(C)c1ccc(Br)c(OC2CC2)c1 ZINC000095724259 185020875 /nfs/dbraw/zinc/02/08/75/185020875.db2.gz YIRLLVLDZNJKMO-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN CC(C)(C)c1ccc(Br)cc1OC1CC1 ZINC000095735975 185024064 /nfs/dbraw/zinc/02/40/64/185024064.db2.gz DCXCICYHQPEDDV-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN CCCCCNc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509723 178076196 /nfs/dbraw/zinc/07/61/96/178076196.db2.gz NKGSBAKPBHSVOT-UHFFFAOYSA-N 0 0 255.793 4.030 10 0 CIAERN Clc1cc(NC2CCCCCC2)nc(C2CC2)n1 ZINC000082509675 178076230 /nfs/dbraw/zinc/07/62/30/178076230.db2.gz QMUCCYQQDVAZTE-UHFFFAOYSA-N 0 0 265.788 4.142 10 0 CIAERN CCCc1nc(Cl)cc(N[C@@H](C)c2ccccc2)n1 ZINC000082509758 178076960 /nfs/dbraw/zinc/07/69/60/178076960.db2.gz BXOIZROGQOYWLG-NSHDSACASA-N 0 0 275.783 4.256 10 0 CIAERN Fc1ccc(-c2noc3c2cccc3Br)cc1 ZINC000095803789 185028577 /nfs/dbraw/zinc/02/85/77/185028577.db2.gz VAZPRQXFCXCBBM-UHFFFAOYSA-N 0 0 292.107 4.396 10 0 CIAERN Clc1ccc(-c2ccc(-c3ccncc3)nc2)cc1 ZINC000095830582 185028582 /nfs/dbraw/zinc/02/85/82/185028582.db2.gz LNUJYYKOOUSFSA-UHFFFAOYSA-N 0 0 266.731 4.464 10 0 CIAERN CSc1csc2cc(Br)ccc12 ZINC000095803769 185028832 /nfs/dbraw/zinc/02/88/32/185028832.db2.gz XKJWKZKXWYTVRU-UHFFFAOYSA-N 0 0 259.193 4.386 10 0 CIAERN FC(F)(F)c1ccc2c(n1)Nc1cccc(Cl)c1NC2 ZINC000095835787 185029915 /nfs/dbraw/zinc/02/99/15/185029915.db2.gz TVTKACPFOMQBCR-UHFFFAOYSA-N 0 0 299.683 4.423 10 0 CIAERN O[C@H](c1ccc(-c2cccc(F)c2)cc1)C(F)(F)F ZINC000095917648 185030437 /nfs/dbraw/zinc/03/04/37/185030437.db2.gz RYIFCXNFAICWRE-CYBMUJFWSA-N 0 0 270.225 4.088 10 0 CIAERN FC1=CC(c2ccccc2)=C[C@@H](F)[C@]1(F)Br ZINC000095932691 185032512 /nfs/dbraw/zinc/03/25/12/185032512.db2.gz UGNJLKZSUIIXBP-ZYHUDNBSSA-N 0 0 289.094 4.336 10 0 CIAERN Clc1cc(Cl)c2ncc(-c3ccccc3)n2c1 ZINC000082694366 178189277 /nfs/dbraw/zinc/18/92/77/178189277.db2.gz RNRIMRQYUWUDIN-UHFFFAOYSA-N 0 0 263.127 4.308 10 0 CIAERN Cc1ccc(Cl)cc1NC(=O)c1cccc(Cl)c1N ZINC000082698981 178199992 /nfs/dbraw/zinc/19/99/92/178199992.db2.gz NMNRKNDQMWJYFH-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN O=Cc1sc(Oc2ccc(Cl)cc2)nc1Cl ZINC000082699317 178200361 /nfs/dbraw/zinc/20/03/61/178200361.db2.gz PZDQKSFHSZXXHZ-UHFFFAOYSA-N 0 0 274.128 4.055 10 0 CIAERN CC(=O)c1ccc(F)c(-c2cccc3cccnc32)c1 ZINC000082709061 178218809 /nfs/dbraw/zinc/21/88/09/178218809.db2.gz KJYIDUZEWZWXOE-UHFFFAOYSA-N 0 0 265.287 4.244 10 0 CIAERN Clc1cc(Cl)c2ccc(Br)cc2n1 ZINC000082788870 178294034 /nfs/dbraw/zinc/29/40/34/178294034.db2.gz UFUBSBVMOXXACP-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN Oc1ccc2nc(Cl)cc(Cl)c2c1Br ZINC000082788886 178294155 /nfs/dbraw/zinc/29/41/55/178294155.db2.gz WVGVFRLHLKMAJJ-UHFFFAOYSA-N 0 0 292.947 4.010 10 0 CIAERN COc1cc(Cl)cc2cc(C(=O)c3cccs3)oc21 ZINC000083160641 178345462 /nfs/dbraw/zinc/34/54/62/178345462.db2.gz OLJPGSXYDNKCMM-UHFFFAOYSA-N 0 0 292.743 4.387 10 0 CIAERN Clc1ccc(-c2cnc(Br)s2)cc1 ZINC000096135249 185104665 /nfs/dbraw/zinc/10/46/65/185104665.db2.gz XCJHIAUUWANTCW-UHFFFAOYSA-N 0 0 274.570 4.226 10 0 CIAERN CCOC(=O)/C=C(C)/C=C\c1c(C)cc(OC)c(C)c1C ZINC000083265125 178377230 /nfs/dbraw/zinc/37/72/30/178377230.db2.gz BONIYDFKKJJFBB-LVQHWDRTSA-N 0 0 288.387 4.143 10 0 CIAERN O=Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 ZINC000096900552 185127034 /nfs/dbraw/zinc/12/70/34/185127034.db2.gz GKHZEXMYTPRFKV-UHFFFAOYSA-N 0 0 283.110 4.304 10 0 in-vitro CIAERN CCc1ccc(-c2csc(Br)n2)s1 ZINC000096943560 185133975 /nfs/dbraw/zinc/13/39/75/185133975.db2.gz YOINYMCFYMHLMQ-UHFFFAOYSA-N 0 0 274.208 4.197 10 0 CIAERN Cc1ccc(C)c(CNc2ccc(Cl)nc2C)c1 ZINC000083442600 178456593 /nfs/dbraw/zinc/45/65/93/178456593.db2.gz RJBHZJKLWKPLOR-UHFFFAOYSA-N 0 0 260.768 4.272 10 0 CIAERN COc1cccc(NCc2cccc(F)c2Cl)c1 ZINC000083482817 178508337 /nfs/dbraw/zinc/50/83/37/178508337.db2.gz IZUXHNRSSKQNQE-UHFFFAOYSA-N 0 0 265.715 4.100 10 0 CIAERN C[C@H]1C[C@H](C)CN(c2c(Cl)cc(N)cc2Cl)C1 ZINC000226316437 136386879 /nfs/dbraw/zinc/38/68/79/136386879.db2.gz JFUGRCHOPKQXED-IUCAKERBSA-N 0 0 273.207 4.058 10 0 CIAERN Cc1ccc(-c2[nH]nc3c2cnc2c(F)cc(F)cc32)cc1 ZINC000085346406 179028866 /nfs/dbraw/zinc/02/88/66/179028866.db2.gz KVTQKUHSLOVIEM-UHFFFAOYSA-N 0 0 295.292 4.365 10 0 CIAERN C[C@@]12CC(C)(C)C[C@@H](O)[C@@H]1[C@@H]1CCCCCC[C@@H]12 ZINC000098089862 185686718 /nfs/dbraw/zinc/68/67/18/185686718.db2.gz ZLYGZWSVTNTPHH-NMNMXBMNSA-N 0 0 250.426 4.390 10 0 CIAERN O=C(Nc1coc(-c2ccccc2)n1)OCc1ccccc1 ZINC000098178845 185698003 /nfs/dbraw/zinc/69/80/03/185698003.db2.gz BXOPKFCIABODBD-UHFFFAOYSA-N 0 0 294.310 4.090 10 0 CIAERN CCC[C@H]1CNc2c(cccc2OCC(F)(F)F)C1 ZINC000103923569 185862229 /nfs/dbraw/zinc/86/22/29/185862229.db2.gz WMVZRQMAFXPOQT-SNVBAGLBSA-N 0 0 273.298 4.012 10 0 CIAERN Cc1cc(C)cc(CC(=O)c2ccc(C)c(C)c2)c1 ZINC000103941950 185865509 /nfs/dbraw/zinc/86/55/09/185865509.db2.gz LUBGMDSBLAKJLC-UHFFFAOYSA-N 0 0 252.357 4.346 10 0 CIAERN Fc1cc(F)c2c(Cl)c3c(nc2c1)CCCCC3 ZINC000103949448 185866643 /nfs/dbraw/zinc/86/66/43/185866643.db2.gz DUZHRXDQHFCGST-UHFFFAOYSA-N 0 0 267.706 4.435 10 0 CIAERN Cc1cccc(-c2nc(Cl)cc(C3CC3)n2)c1C ZINC000103954503 185867685 /nfs/dbraw/zinc/86/76/85/185867685.db2.gz DNZASLIGDNDZPR-UHFFFAOYSA-N 0 0 258.752 4.291 10 0 CIAERN CCCCc1ccc(Nc2cc(N)cc(F)c2)cc1 ZINC000103944325 185866034 /nfs/dbraw/zinc/86/60/34/185866034.db2.gz MPYZWDVDORUCSZ-UHFFFAOYSA-N 0 0 258.340 4.494 10 0 CIAERN COc1ccc(Cl)cc1C(=O)Cc1ccccc1Cl ZINC000103948081 185866213 /nfs/dbraw/zinc/86/62/13/185866213.db2.gz BLSQTMQCRJOWFK-UHFFFAOYSA-N 0 0 295.165 4.427 10 0 CIAERN CNc1cc(C2CC2)nc(-c2cccc(Cl)c2Cl)n1 ZINC000103963327 185869238 /nfs/dbraw/zinc/86/92/38/185869238.db2.gz NSRCGILTHWEYOF-UHFFFAOYSA-N 0 0 294.185 4.370 10 0 CIAERN CCOC(=O)[C@H](C)CSc1ccc(C(C)(C)C)cc1 ZINC000103968458 185871587 /nfs/dbraw/zinc/87/15/87/185871587.db2.gz CXKZRBUIGVGBIS-GFCCVEGCSA-N 0 0 280.433 4.275 10 0 CIAERN C[C@H]1CCCC[C@H]1OCCNc1ccc(Cl)cc1 ZINC000104018474 185883871 /nfs/dbraw/zinc/88/38/71/185883871.db2.gz DJBHAHBWYXXLGJ-SWLSCSKDSA-N 0 0 267.800 4.347 10 0 CIAERN Cc1ccc(N)cc1-c1ccccc1OC(F)(F)F ZINC000104058193 185888092 /nfs/dbraw/zinc/88/80/92/185888092.db2.gz IGKJKQTUQXFYFF-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN CC(C)c1c(Cl)nc(COc2ccccc2)nc1Cl ZINC000104136312 185905400 /nfs/dbraw/zinc/90/54/00/185905400.db2.gz SEXYSMLCJGCACC-UHFFFAOYSA-N 0 0 297.185 4.486 10 0 CIAERN C[C@H]1CCCC[C@H]1Cn1c2cccc(F)c2[nH]c1=S ZINC000104158758 185913642 /nfs/dbraw/zinc/91/36/42/185913642.db2.gz NGNIHJCIMQINQV-QWRGUYRKSA-N 0 0 278.396 4.290 10 0 CIAERN Cc1nc(Cl)cc(Nc2cccc(C(C)C)c2)n1 ZINC000104158101 185913873 /nfs/dbraw/zinc/91/38/73/185913873.db2.gz QBWTWLSIEQUJNQ-UHFFFAOYSA-N 0 0 261.756 4.305 10 0 CIAERN Fc1ccc2[nH]c(=S)n(-c3ccc(Cl)cc3)c2c1F ZINC000104160321 185914820 /nfs/dbraw/zinc/91/48/20/185914820.db2.gz IJAPLCRCIJBJOV-UHFFFAOYSA-N 0 0 296.729 4.246 10 0 CIAERN CCCc1ccc(Oc2ccccc2[C@@H](C)O)cc1 ZINC000104162451 185914679 /nfs/dbraw/zinc/91/46/79/185914679.db2.gz XFVUDPSSTGYETI-CYBMUJFWSA-N 0 0 256.345 4.485 10 0 CIAERN Cc1cc(C)cc(Nc2cc(Cl)ccc2C(N)=S)c1 ZINC000104175127 185916985 /nfs/dbraw/zinc/91/69/85/185916985.db2.gz QMSICOGUJPXOFD-UHFFFAOYSA-N 0 0 290.819 4.335 10 0 CIAERN CC(C)[C@H]1CCc2nc(-c3ccc(O)cc3)sc2C1 ZINC000104172537 185916231 /nfs/dbraw/zinc/91/62/31/185916231.db2.gz PQZOVJMCGFRBNS-LBPRGKRZSA-N 0 0 273.401 4.277 10 0 CIAERN C[C@@H]1CCC[C@H](Sc2ccc3cc(N)ccc3n2)C1 ZINC000104182634 185918100 /nfs/dbraw/zinc/91/81/00/185918100.db2.gz BZYHCLOHXBXBRL-RISCZKNCSA-N 0 0 272.417 4.488 10 0 CIAERN CCc1c2ccccc2oc1-c1csc(C(C)=O)n1 ZINC000104185360 185919001 /nfs/dbraw/zinc/91/90/01/185919001.db2.gz AFNLGOMEZPIIJO-UHFFFAOYSA-N 0 0 271.341 4.321 10 0 CIAERN Cc1ccnc2[nH]c(-c3cccc(Cl)c3Cl)nc21 ZINC000104205384 185931404 /nfs/dbraw/zinc/93/14/04/185931404.db2.gz PPJNLORWOGTPGG-UHFFFAOYSA-N 0 0 278.142 4.240 10 0 CIAERN CCCc1c(Cl)ncnc1N[C@H]1CCCC[C@H]1C ZINC000104212320 185932967 /nfs/dbraw/zinc/93/29/67/185932967.db2.gz OVTACZIJZJSPIA-PWSUYJOCSA-N 0 0 267.804 4.073 10 0 CIAERN CCC1CCC(N(C)c2nc(C)nc(Cl)c2C)CC1 ZINC000104214036 185933751 /nfs/dbraw/zinc/93/37/51/185933751.db2.gz ZRIGXQNZUMVIRC-UHFFFAOYSA-N 0 0 281.831 4.152 10 0 CIAERN CCCc1c(Cl)ncnc1Nc1ccc(C)cc1C ZINC000104222804 185935339 /nfs/dbraw/zinc/93/53/39/185935339.db2.gz FYWOXVQSOATRCG-UHFFFAOYSA-N 0 0 275.783 4.443 10 0 CIAERN COc1cc(Nc2ccc(Cl)cc2Cl)ccc1N ZINC000104246523 185942046 /nfs/dbraw/zinc/94/20/46/185942046.db2.gz WUBFCOIOMOSSID-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN CCCOc1cc(SC2CCCCC2)ccc1N ZINC000104241633 185940497 /nfs/dbraw/zinc/94/04/97/185940497.db2.gz JQDWMLPYPZFJQB-UHFFFAOYSA-N 0 0 265.422 4.482 10 0 CIAERN Cc1cnc2nc(SCc3ccccc3)sc2c1 ZINC000089229470 179758125 /nfs/dbraw/zinc/75/81/25/179758125.db2.gz NLWNTKDFSQQUKQ-UHFFFAOYSA-N 0 0 272.398 4.292 10 0 CIAERN CSc1ccccc1Oc1c(N)ccc(F)c1F ZINC000104340305 185975962 /nfs/dbraw/zinc/97/59/62/185975962.db2.gz WLSDIDAAWUAVQJ-UHFFFAOYSA-N 0 0 267.300 4.061 10 0 CIAERN CCOc1cccc(-c2nc(Cl)c(C)c(CC)n2)c1 ZINC000104349534 185979729 /nfs/dbraw/zinc/97/97/29/185979729.db2.gz ILKRUTFRMTWYCR-UHFFFAOYSA-N 0 0 276.767 4.067 10 0 CIAERN Cc1ccccc1-c1nc(-c2ccccn2)c2ccccn21 ZINC000090398834 179981087 /nfs/dbraw/zinc/98/10/87/179981087.db2.gz DKAJYUGCVSKAHJ-UHFFFAOYSA-N 0 0 285.350 4.372 10 0 CIAERN CCc1ccc(Nc2nc(C)nc3ccccc32)cc1 ZINC000090415559 179982947 /nfs/dbraw/zinc/98/29/47/179982947.db2.gz MSJDZQAPAIGAFY-UHFFFAOYSA-N 0 0 263.344 4.244 10 0 CIAERN COc1nc2ccc(Cl)cc2cc1Cc1ccccc1 ZINC000090555744 180003361 /nfs/dbraw/zinc/00/33/61/180003361.db2.gz FLKSPGGXRCNESG-UHFFFAOYSA-N 0 0 283.758 4.488 10 0 CIAERN C[C@@H](C(=O)c1cc2ccccc2n1C)c1ccccc1 ZINC000090623766 180014598 /nfs/dbraw/zinc/01/45/98/180014598.db2.gz CFIUKGFDXSEWIH-CYBMUJFWSA-N 0 0 263.340 4.165 10 0 CIAERN Cc1occc1C(=O)NCCc1sc2ccccc2c1C ZINC000090624531 180014612 /nfs/dbraw/zinc/01/46/12/180014612.db2.gz IPGWNLWDWPAOOL-UHFFFAOYSA-N 0 0 299.395 4.084 10 0 CIAERN Cc1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000090635772 180016249 /nfs/dbraw/zinc/01/62/49/180016249.db2.gz LRNXGRJIQBAHPW-UHFFFAOYSA-N 0 0 275.392 4.110 10 0 CIAERN CC1CCC(Nc2nc(Cl)nc3ccccc32)CC1 ZINC000090629149 180016567 /nfs/dbraw/zinc/01/65/67/180016567.db2.gz RDEIZTBBIHVPGR-UHFFFAOYSA-N 0 0 275.783 4.274 10 0 CIAERN CCC(CC)[C@H](C)Nc1ccc(Cl)cc1C(N)=S ZINC000104438477 186002674 /nfs/dbraw/zinc/00/26/74/186002674.db2.gz IBDBTBLXKGUHOC-VIFPVBQESA-N 0 0 284.856 4.211 10 0 CIAERN c1cc(CO[C@H]2CCCCO2)oc1CCc1ccccc1 ZINC000090754996 180036595 /nfs/dbraw/zinc/03/65/95/180036595.db2.gz FHGZOWJAWYSNTR-SFHVURJKSA-N 0 0 286.371 4.108 10 0 CIAERN COc1ccc([C@@H](O)C[C@@H](C)C(C)(C)C)cc1Cl ZINC000104450176 186007018 /nfs/dbraw/zinc/00/70/18/186007018.db2.gz FCYWSDMDDLBUIF-MFKMUULPSA-N 0 0 270.800 4.454 10 0 CIAERN FC(F)(F)c1cccc(COc2cc(Cl)ccn2)c1 ZINC000091362055 180141739 /nfs/dbraw/zinc/14/17/39/180141739.db2.gz VIXVSBMZDFVXAZ-UHFFFAOYSA-N 0 0 287.668 4.333 10 0 CIAERN Fc1cccc(CSc2cc(Cl)ccn2)c1 ZINC000091362075 180141814 /nfs/dbraw/zinc/14/18/14/180141814.db2.gz CWNLCXFGWRBMBT-UHFFFAOYSA-N 0 0 253.729 4.166 10 0 CIAERN FC(F)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cn1 ZINC000091362274 180141873 /nfs/dbraw/zinc/14/18/73/180141873.db2.gz ZXGJSBRQLUGXCD-UHFFFAOYSA-N 0 0 289.203 4.369 10 0 CIAERN Cc1ncnc(N[C@@H](CC(C)(C)C)c2cccnc2)c1C ZINC000091504721 180176070 /nfs/dbraw/zinc/17/60/70/180176070.db2.gz QETWWNRBLYMRTR-HNNXBMFYSA-N 0 0 284.407 4.078 10 0 CIAERN Fc1ccc([C@H]2CCc3c2nc(Cl)nc3Cl)cc1 ZINC000091691402 180227632 /nfs/dbraw/zinc/22/76/32/180227632.db2.gz ATWGDJMSPINOIM-SECBINFHSA-N 0 0 283.133 4.001 10 0 CIAERN Nc1ccc(Cl)cc1-c1nc2ccc(F)cc2s1 ZINC000091939602 180289185 /nfs/dbraw/zinc/28/91/85/180289185.db2.gz SCHYVVKUPNXYGI-UHFFFAOYSA-N 0 0 278.739 4.338 10 0 CIAERN Cc1sc(N)cc1-c1cc(Br)cs1 ZINC000105898210 186086635 /nfs/dbraw/zinc/08/66/35/186086635.db2.gz OVQROEIMEQMUTM-UHFFFAOYSA-N 0 0 274.208 4.130 10 0 CIAERN Cc1cccc(-c2nc(Cl)c3c(n2)CCCCC3)c1 ZINC000109688793 186268453 /nfs/dbraw/zinc/26/84/53/186268453.db2.gz BUPUNCAYBUQCLS-UHFFFAOYSA-N 0 0 272.779 4.374 10 0 CIAERN O=C(c1ccccc1F)c1ccc2c3c(cccc31)CC2 ZINC000158704189 188390015 /nfs/dbraw/zinc/39/00/15/188390015.db2.gz HWYRMMBHOUKIBL-UHFFFAOYSA-N 0 0 276.310 4.309 10 0 CIAERN O[C@H](c1ccc(F)cc1)c1ccc2c3c(cccc31)CC2 ZINC000158882550 188398832 /nfs/dbraw/zinc/39/88/32/188398832.db2.gz MKDKTIISLSEACS-LJQANCHMSA-N 0 0 278.326 4.159 10 0 CIAERN CC[C@@H](CC(C)=O)c1ccc2cc(OC)ccc2c1 ZINC000169333121 188659090 /nfs/dbraw/zinc/65/90/90/188659090.db2.gz BWDOZSHMOIEJAN-ZDUSSCGKSA-N 0 0 256.345 4.321 10 0 CIAERN FC(F)(Cl)CC(F)(F)CC(F)(F)Br ZINC000169795243 188665041 /nfs/dbraw/zinc/66/50/41/188665041.db2.gz YIXBBJIQYRUQCN-UHFFFAOYSA-N 0 0 293.432 4.221 10 0 CIAERN CC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@H](C(C)(C)C)N2 ZINC000299890429 200883911 /nfs/dbraw/zinc/88/39/11/200883911.db2.gz ZOFOBSGDADHDGV-AWEZNQCLSA-N 0 0 290.407 4.416 10 0 CIAERN CCOc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000196342860 189682754 /nfs/dbraw/zinc/68/27/54/189682754.db2.gz JZGLMXLNUNUKTL-UHFFFAOYSA-N 0 0 260.935 4.094 10 0 CIAERN Clc1cc2ncn(Cc3ccccc3)c2cc1Cl ZINC000211838726 189688439 /nfs/dbraw/zinc/68/84/39/189688439.db2.gz BJNJMUKGNBUDDT-UHFFFAOYSA-N 0 0 277.154 4.391 10 0 CIAERN Cc1nc(-c2ccccc2Cl)cc(C(F)(F)F)n1 ZINC000217031227 189707825 /nfs/dbraw/zinc/70/78/25/189707825.db2.gz RQMAGBKNWSOXIP-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN COC(=O)/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000226257989 189770774 /nfs/dbraw/zinc/77/07/74/189770774.db2.gz MNNFCFKCSIFMNX-QPJJXVBHSA-N 0 0 297.137 4.440 10 0 CIAERN Clc1ccc(-c2nc3cnccc3o2)c(Cl)c1 ZINC000226281479 189770985 /nfs/dbraw/zinc/77/09/85/189770985.db2.gz YXUZPAZISRAAIY-UHFFFAOYSA-N 0 0 265.099 4.197 10 0 CIAERN C[C@H](O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000226272849 189771025 /nfs/dbraw/zinc/77/10/25/189771025.db2.gz DZCRMXQLYURHEX-ZDUSSCGKSA-N 0 0 297.398 4.290 10 0 CIAERN Nc1cccc(C(=O)c2ccc3c(c2)oc2ccccc23)c1 ZINC000226296986 189772007 /nfs/dbraw/zinc/77/20/07/189772007.db2.gz DFYQTLHCXREYAQ-UHFFFAOYSA-N 0 0 287.318 4.399 10 0 CIAERN CCc1cc(N)cc(Cl)c1N(C)c1ccccc1 ZINC000226316147 189772530 /nfs/dbraw/zinc/77/25/30/189772530.db2.gz GXEOKKALAFZEDN-UHFFFAOYSA-N 0 0 260.768 4.253 10 0 CIAERN c1coc(-c2cc(-c3ccncc3)cc(-c3ccccn3)n2)c1 ZINC000238809297 189901106 /nfs/dbraw/zinc/90/11/06/189901106.db2.gz OZFHNQCYVDSMDR-UHFFFAOYSA-N 0 0 299.333 4.466 10 0 CIAERN Clc1ccc(-c2nc3c4ccccc4ccn3n2)cc1 ZINC000000001637 169503058 /nfs/dbraw/zinc/50/30/58/169503058.db2.gz DGWUVKLBXCWNTA-UHFFFAOYSA-N 0 0 279.730 4.203 10 0 in-man CIAERN COc1cc(C(Cl)=C(Cl)Cl)cc(OC)c1OC ZINC000000162799 169559389 /nfs/dbraw/zinc/55/93/89/169559389.db2.gz GIFCGZFRCYDMNG-UHFFFAOYSA-N 0 0 297.565 4.055 10 0 CIAERN FC(F)(F)c1cc(C(F)(F)F)c2ccccc2n1 ZINC000039436736 184547324 /nfs/dbraw/zinc/54/73/24/184547324.db2.gz STZCBCPFRDLHEL-UHFFFAOYSA-N 0 0 265.156 4.272 10 0 CIAERN C[C@@H](NC(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000020538428 262248229 /nfs/dbraw/zinc/24/82/29/262248229.db2.gz LQVXHPRFNCSGMP-LLVKDONJSA-N 0 0 280.799 4.033 10 0 CIAERN COc1ccc(C)c2c1[C@@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 ZINC000004369995 256872520 /nfs/dbraw/zinc/87/25/20/256872520.db2.gz ROENYRHGHDRWLQ-QCBUCWTNSA-N 0 0 298.426 4.429 10 0 CIAERN CSc1ccc(CNc2ccc(O)cc2C)cc1 ZINC000080359327 177645476 /nfs/dbraw/zinc/64/54/76/177645476.db2.gz CBHSABWOOLDFOH-UHFFFAOYSA-N 0 0 259.374 4.035 10 0 CIAERN CC(=O)c1ccc(N2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000035164303 134788860 /nfs/dbraw/zinc/78/88/60/134788860.db2.gz ZONHZXLFKSUTPR-UKRRQHHQSA-N 0 0 275.367 4.045 10 0 CIAERN FC(F)(F)c1ccc2c(n1)CCCN2Cc1ccccc1 ZINC000091361817 135068478 /nfs/dbraw/zinc/06/84/78/135068478.db2.gz PVXOALXNOAWEBU-UHFFFAOYSA-N 0 0 292.304 4.053 10 0 CIAERN CCCc1nc2ccccc2n1CCCOc1ccccc1 ZINC000002689425 169820207 /nfs/dbraw/zinc/82/02/07/169820207.db2.gz MCHXYQGHCPDTSB-UHFFFAOYSA-N 0 0 294.398 4.458 10 0 CIAERN FC(F)(F)c1ccccc1[C@H]1Cc2ccccc2N1 ZINC000003715002 169908997 /nfs/dbraw/zinc/90/89/97/169908997.db2.gz IHZOMQLJWFSDOQ-CQSZACIVSA-N 0 0 263.262 4.415 10 0 CIAERN COc1cc2cc(/C=C/c3ccccc3)cnc2cc1OC ZINC000003834019 169914714 /nfs/dbraw/zinc/91/47/14/169914714.db2.gz NQVBNOPSVRCGSI-CMDGGOBGSA-N 0 0 291.350 4.422 10 0 in-vivo CIAERN c1ccc([C@H]2C[C@H]3CC4(CCCCCC4)N2O3)cc1 ZINC000004181431 169941706 /nfs/dbraw/zinc/94/17/06/169941706.db2.gz AUFXKVZHDQCTCJ-JKSUJKDBSA-N 0 0 257.377 4.230 10 0 CIAERN CC(C)(C)c1nc(-c2ccc(O)cc2)c(-c2cccnc2)[nH]1 ZINC000005114327 170067124 /nfs/dbraw/zinc/06/71/24/170067124.db2.gz MZGWIQCWWSGSRK-UHFFFAOYSA-N 0 0 293.370 4.142 10 0 CIAERN Cc1cc(NCc2cccnc2)c(C)c2c1OC(C)(C)CC2 ZINC000005159878 170072292 /nfs/dbraw/zinc/07/22/92/170072292.db2.gz OIIWPPPLNHNQDE-UHFFFAOYSA-N 0 0 296.414 4.414 10 0 CIAERN CC(=O)OCC/C=C/c1ccc(-c2cccs2)s1 ZINC000005161255 170072383 /nfs/dbraw/zinc/07/23/83/170072383.db2.gz DTYUAGHVZBILLV-GORDUTHDSA-N 0 0 278.398 4.443 10 0 CIAERN CC(C)[C@H](c1cc2ccccc2[nH]1)n1nnc2ccccc21 ZINC000005285074 170082775 /nfs/dbraw/zinc/08/27/75/170082775.db2.gz MKVBWJOAODGSSL-GOSISDBHSA-N 0 0 290.370 4.158 10 0 CIAERN CCCC[C@H](c1ccc(NC)cc1)n1nnc2ccccc21 ZINC000005310072 170084814 /nfs/dbraw/zinc/08/48/14/170084814.db2.gz LYTIFPMBROKOSW-QGZVFWFLSA-N 0 0 294.402 4.253 10 0 CIAERN CCCCCCNc1ccc(NCCCCCC)nn1 ZINC000005308568 170084932 /nfs/dbraw/zinc/08/49/32/170084932.db2.gz QMLZBAHUXRAMTN-UHFFFAOYSA-N 0 0 278.444 4.461 10 0 CIAERN CCC1(CC)N=C(c2ccccc2)C(c2ccccc2)=N1 ZINC000005307848 170084933 /nfs/dbraw/zinc/08/49/33/170084933.db2.gz LWEWJNBZCOBTEJ-UHFFFAOYSA-N 0 0 276.383 4.495 10 0 CIAERN CCCC[C@@H](c1ccccc1)n1nnc2ccccc21 ZINC000005309767 170084946 /nfs/dbraw/zinc/08/49/46/170084946.db2.gz LOURYVLYLRTFMY-INIZCTEOSA-N 0 0 265.360 4.211 10 0 CIAERN CN(C)c1ccc(Cc2c(O)ccc3ccccc32)cc1 ZINC000005328579 170085742 /nfs/dbraw/zinc/08/57/42/170085742.db2.gz ZFLJSPZEAIOKAZ-UHFFFAOYSA-N 0 0 277.367 4.202 10 0 CIAERN COc1ccc(-c2cn3c4ccccc4n(C)c3c2C)cc1 ZINC000005330518 170086430 /nfs/dbraw/zinc/08/64/30/170086430.db2.gz BJZRRZGCWBZODH-UHFFFAOYSA-N 0 0 290.366 4.415 10 0 CIAERN Cc1cccc(NC(=S)Nc2cccc3ccccc32)n1 ZINC000005337838 170087477 /nfs/dbraw/zinc/08/74/77/170087477.db2.gz XDUMMBKTKCBPAQ-UHFFFAOYSA-N 0 0 293.395 4.352 10 0 CIAERN Cc1ccc([C@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005416742 170096393 /nfs/dbraw/zinc/09/63/93/170096393.db2.gz VGLVHBIOEVSKBC-FQEVSTJZSA-N 0 0 299.377 4.377 10 0 CIAERN Cc1ccc(C(=O)Nc2cnc(-c3ccc(C)cc3)o2)cc1 ZINC000005417048 170096982 /nfs/dbraw/zinc/09/69/82/170096982.db2.gz JWXOODDPTYFOQB-UHFFFAOYSA-N 0 0 292.338 4.211 10 0 CIAERN CCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000005463654 170101690 /nfs/dbraw/zinc/10/16/90/170101690.db2.gz XAEKBHCSTWYAEL-SOFGYWHQSA-N 0 0 286.202 4.313 10 0 CIAERN CC(C)c1nc2cc(-c3nc4ccccc4[nH]3)ccc2[nH]1 ZINC000005498447 170104651 /nfs/dbraw/zinc/10/46/51/170104651.db2.gz PPAJDZQOSSTRFF-UHFFFAOYSA-N 0 0 276.343 4.230 10 0 CIAERN Cc1cc[nH]c2nc(-c3cccc4ccccc43)cc(=O)c1-2 ZINC000005504159 170105402 /nfs/dbraw/zinc/10/54/02/170105402.db2.gz DAYKXJRPLWUPRH-UHFFFAOYSA-N 0 0 286.334 4.052 10 0 CIAERN C[C@@H](NC(=O)c1cccc(F)c1)c1ccc2ccccc2c1 ZINC000005559615 170113502 /nfs/dbraw/zinc/11/35/02/170113502.db2.gz USMKPOCAMJZOOW-CYBMUJFWSA-N 0 0 293.341 4.470 10 0 CIAERN Cc1cc(Nc2ccc(N(C)C)cc2)nc2ccccc12 ZINC000005587759 170116789 /nfs/dbraw/zinc/11/67/89/170116789.db2.gz ZTWFAZDPVSKFFF-UHFFFAOYSA-N 0 0 277.371 4.353 10 0 CIAERN O=C(/C=C/c1cccc(Cl)c1)Nc1cc(F)ccc1F ZINC000005677209 170127046 /nfs/dbraw/zinc/12/70/46/170127046.db2.gz AHGLETYGWOJHCJ-QPJJXVBHSA-N 0 0 293.700 4.270 10 0 CIAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1 ZINC000005713145 170132112 /nfs/dbraw/zinc/13/21/12/170132112.db2.gz RVDHXOMORSBVIF-MDWZMJQESA-N 0 0 282.339 4.013 10 0 CIAERN C[C@@H](CCc1ccc2sc3ccccc3c2c1)C(N)=O ZINC000005762826 170138619 /nfs/dbraw/zinc/13/86/19/170138619.db2.gz MQQIXDHQNUSEAT-NSHDSACASA-N 0 0 283.396 4.109 10 0 CIAERN CC(C)(C)CC(C)(C)N1Sc2ccccc2[S@]1=O ZINC000005885255 170149905 /nfs/dbraw/zinc/14/99/05/170149905.db2.gz ULJNUCYGCMGYTC-SFHVURJKSA-N 0 0 283.462 4.247 10 0 CIAERN CC(C)[C@@H]1CO[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000005881258 170149927 /nfs/dbraw/zinc/14/99/27/170149927.db2.gz ADVAHDVGFJERMQ-RBUKOAKNSA-N 0 0 281.399 4.242 10 0 CIAERN Cn1c2ccccc2nc1-c1nc2cc(Cl)ccc2o1 ZINC000005936340 170158190 /nfs/dbraw/zinc/15/81/90/170158190.db2.gz IGPQAUZLWBYWNY-UHFFFAOYSA-N 0 0 283.718 4.035 10 0 CIAERN Clc1ccc2oc(-c3nc4ccccc4[nH]3)nc2c1 ZINC000005942365 170159730 /nfs/dbraw/zinc/15/97/30/170159730.db2.gz YKKAIFHHRXRKFC-UHFFFAOYSA-N 0 0 269.691 4.025 10 0 CIAERN C[C@H](Cc1ccccc1)C(=O)[C@H](C)Cc1ccccc1 ZINC000006036844 170170272 /nfs/dbraw/zinc/17/02/72/170170272.db2.gz RWZWFHRQQFEXTQ-HZPDHXFCSA-N 0 0 266.384 4.313 10 0 CIAERN Cc1cc(C)c(OP2OCC(C)(C)CO2)c(C)c1 ZINC000006069711 170173879 /nfs/dbraw/zinc/17/38/79/170173879.db2.gz XEYLUTQJFIWOBO-UHFFFAOYSA-N 0 0 268.293 4.291 10 0 CIAERN Cc1ccccc1-c1nnc(-c2ccccc2Cl)[nH]1 ZINC000006071966 170173964 /nfs/dbraw/zinc/17/39/64/170173964.db2.gz ZUGIPYUZFXHHTC-UHFFFAOYSA-N 0 0 269.735 4.101 10 0 CIAERN O=C1c2ccccc2CCC[C@@H]1Cc1ccccc1 ZINC000006096623 170176117 /nfs/dbraw/zinc/17/61/17/170176117.db2.gz QRGINKXDBCDGDT-MRXNPFEDSA-N 0 0 250.341 4.065 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000006249987 170185442 /nfs/dbraw/zinc/18/54/42/170185442.db2.gz ICLMLXFVRGKQCO-KUCQQTCKSA-N 0 0 271.404 4.082 10 0 CIAERN Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1C ZINC000006503760 170207689 /nfs/dbraw/zinc/20/76/89/170207689.db2.gz NRPAZKXOLUBUDU-UHFFFAOYSA-N 0 0 285.412 4.496 10 0 CIAERN CC(=O)n1cc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000006512115 170208645 /nfs/dbraw/zinc/20/86/45/170208645.db2.gz HAFRNCHOXLOBOC-UHFFFAOYSA-N 0 0 294.379 4.335 10 0 CIAERN CC(C)CCC[C@H](C)Nc1ncnc2sccc21 ZINC000006541625 170211759 /nfs/dbraw/zinc/21/17/59/170211759.db2.gz HCSNPIOVATZCMA-NSHDSACASA-N 0 0 263.410 4.318 10 0 CIAERN C1=C(c2ccccc2)N(Cc2ccccc2)[C@@H]2C=CC=CN12 ZINC000006579959 170215288 /nfs/dbraw/zinc/21/52/88/170215288.db2.gz ANVIXFZOGPEFEA-HXUWFJFHSA-N 0 0 286.378 4.212 10 0 CIAERN O=c1cc(-c2cccc(Cl)c2)oc2ccccc12 ZINC000006583548 170215780 /nfs/dbraw/zinc/21/57/80/170215780.db2.gz JWTQJUQJIRWZLA-UHFFFAOYSA-N 0 0 256.688 4.113 10 0 in-vivo CIAERN COC(=O)c1c(Sc2ccccc2)c2ccccc2n1C ZINC000006751715 170240106 /nfs/dbraw/zinc/24/01/06/170240106.db2.gz USZSCCKZMGCWID-UHFFFAOYSA-N 0 0 297.379 4.116 10 0 CIAERN CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006773463 170242548 /nfs/dbraw/zinc/24/25/48/170242548.db2.gz AXBHRBPMNVDZOG-UHFFFAOYSA-N 0 0 283.762 4.382 10 0 CIAERN Cc1ccc2nc(-c3cc(Cl)ccc3N)oc2c1 ZINC000006776808 170242555 /nfs/dbraw/zinc/24/25/55/170242555.db2.gz CAGIOKCKBZSROR-UHFFFAOYSA-N 0 0 258.708 4.039 10 0 CIAERN Cc1c2cc(C)c(C)cc2oc1C(=O)NCc1ccccc1 ZINC000006826274 170247062 /nfs/dbraw/zinc/24/70/62/170247062.db2.gz UYUSNOYYMYHSDZ-UHFFFAOYSA-N 0 0 293.366 4.288 10 0 CIAERN CC[C@@H](C)c1ccccc1NC(=S)NCc1ccco1 ZINC000006938529 170256935 /nfs/dbraw/zinc/25/69/35/170256935.db2.gz RSSKGZQZWSUNMA-GFCCVEGCSA-N 0 0 288.416 4.280 10 0 CIAERN CCOC(=O)C[C@@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000006941104 170257563 /nfs/dbraw/zinc/25/75/63/170257563.db2.gz QFAQTFVIZYDNDY-GFCCVEGCSA-N 0 0 280.433 4.418 10 0 CIAERN Cc1cccc(NC(=S)Nc2ccc(N(C)C)cc2)c1C ZINC000006968203 170259594 /nfs/dbraw/zinc/25/95/94/170259594.db2.gz PUUOMTDUBJABCO-UHFFFAOYSA-N 0 0 299.443 4.178 10 0 CIAERN Cc1ccc(NC(=O)[C@H](C)Nc2cccc(C)c2C)cc1 ZINC000007042171 170263695 /nfs/dbraw/zinc/26/36/95/170263695.db2.gz JOUHQUMJZOYFAM-HNNXBMFYSA-N 0 0 282.387 4.051 10 0 CIAERN CC(C)(C)CC(C)(C)NC(=S)NCc1ccc(F)cc1 ZINC000007351591 170278900 /nfs/dbraw/zinc/27/89/00/170278900.db2.gz IFPJCKSXMDIUKN-UHFFFAOYSA-N 0 0 296.455 4.005 10 0 CIAERN Cc1ccc(NC(=O)CSCc2cccs2)c(C)c1 ZINC000007400386 170282769 /nfs/dbraw/zinc/28/27/69/170282769.db2.gz SLPUTHIKURMHDU-UHFFFAOYSA-N 0 0 291.441 4.237 10 0 CIAERN CCSc1ccc(-c2ccc(Br)cc2)nn1 ZINC000007446286 170285394 /nfs/dbraw/zinc/28/53/94/170285394.db2.gz UFZUGBSYXZEIMO-UHFFFAOYSA-N 0 0 295.205 4.018 10 0 CIAERN Cc1ccc(NC(=S)N2CCCC[C@@H]2C)cc1Cl ZINC000007527138 170289317 /nfs/dbraw/zinc/28/93/17/170289317.db2.gz ROSDJPFVJXHOGJ-NSHDSACASA-N 0 0 282.840 4.220 10 0 CIAERN Cc1ccc(NC(=S)N2CCCCCC2)cc1Cl ZINC000007557137 170290605 /nfs/dbraw/zinc/29/06/05/170290605.db2.gz XHYGMCQXEYAIJG-UHFFFAOYSA-N 0 0 282.840 4.221 10 0 CIAERN Cc1ccc(C)c(NC(=O)/C=C/c2ccccc2C)c1 ZINC000007608164 170293239 /nfs/dbraw/zinc/29/32/39/170293239.db2.gz USVQTQGFBBRTMN-ZHACJKMWSA-N 0 0 265.356 4.264 10 0 CIAERN Cc1cccc(C(=O)Nc2ccc(OCC(C)C)cc2)c1 ZINC000007650064 170295270 /nfs/dbraw/zinc/29/52/70/170295270.db2.gz SZDCJMUBDKTTDK-UHFFFAOYSA-N 0 0 283.371 4.282 10 0 CIAERN CC(C)COc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000007650115 170295293 /nfs/dbraw/zinc/29/52/93/170295293.db2.gz GHURDTWWCNSIAW-UHFFFAOYSA-N 0 0 290.407 4.176 10 0 CIAERN Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1C ZINC000007669025 170296813 /nfs/dbraw/zinc/29/68/13/170296813.db2.gz NUVWCUFZGKSAHF-UHFFFAOYSA-N 0 0 283.371 4.343 10 0 CIAERN Cc1ccc([C@H](NC(=O)C2CCC2)c2ccccc2)cc1 ZINC000007686066 170297661 /nfs/dbraw/zinc/29/76/61/170297661.db2.gz XUMAQUOQWBPHQS-GOSISDBHSA-N 0 0 279.383 4.001 10 0 CIAERN COc1ccccc1-c1csc(NC(C)(C)C)n1 ZINC000007844634 170304713 /nfs/dbraw/zinc/30/47/13/170304713.db2.gz JEZSLHYMZUAMNS-UHFFFAOYSA-N 0 0 262.378 4.029 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccc(C)c1 ZINC000007885337 170305917 /nfs/dbraw/zinc/30/59/17/170305917.db2.gz FQUZZIMCBGMBDO-KBXCAEBGSA-N 0 0 294.398 4.360 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)cc1 ZINC000007885379 170306071 /nfs/dbraw/zinc/30/60/71/170306071.db2.gz UMXBKANTKLUCOY-KSSFIOAISA-N 0 0 294.398 4.360 10 0 CIAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000007885436 170306084 /nfs/dbraw/zinc/30/60/84/170306084.db2.gz SVJYPUGLFISLKW-CXAGYDPISA-N 0 0 280.371 4.052 10 0 CIAERN CC(C)CNc1nc(-c2cccc(F)c2)cs1 ZINC000008295925 170329726 /nfs/dbraw/zinc/32/97/26/170329726.db2.gz GYWPVPNEGSDIAB-UHFFFAOYSA-N 0 0 250.342 4.017 10 0 CIAERN CCOC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000008406456 170335485 /nfs/dbraw/zinc/33/54/85/170335485.db2.gz RIIPDODKIJMQBM-UHFFFAOYSA-N 0 0 255.273 4.154 10 0 CIAERN Cc1ccc(C)c(NC(=O)c2ccnc(C(C)(C)C)c2)c1 ZINC000008549771 170339638 /nfs/dbraw/zinc/33/96/38/170339638.db2.gz WRZHNTMHSNOHHJ-UHFFFAOYSA-N 0 0 282.387 4.248 10 0 CIAERN CC(C)CCOc1cccc(C(=O)Nc2ccccc2)c1 ZINC000008567680 170340775 /nfs/dbraw/zinc/34/07/75/170340775.db2.gz LKDLNIONIBCGPC-UHFFFAOYSA-N 0 0 283.371 4.364 10 0 CIAERN CC(C)Cn1c2ccccc2nc1-c1ccccc1F ZINC000008787468 170356051 /nfs/dbraw/zinc/35/60/51/170356051.db2.gz HIFZRLUNYBNWPC-UHFFFAOYSA-N 0 0 268.335 4.498 10 0 CIAERN CC(C)c1cccc2sc(NC(=O)C(C)(C)C)nc21 ZINC000008967606 170359760 /nfs/dbraw/zinc/35/97/60/170359760.db2.gz LNJSZBALUXQNGL-UHFFFAOYSA-N 0 0 276.405 4.404 10 0 CIAERN CCOc1cccc2cc(C(=O)Nc3cccc(C)c3)oc21 ZINC000008960882 170359962 /nfs/dbraw/zinc/35/99/62/170359962.db2.gz PWQTUCHIBPCAAU-UHFFFAOYSA-N 0 0 295.338 4.392 10 0 CIAERN CC[C@H](C)Oc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000009208025 170366459 /nfs/dbraw/zinc/36/64/59/170366459.db2.gz PAXMZSAOAHMYTE-NSHDSACASA-N 0 0 265.353 4.211 10 0 CIAERN Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccccc1C ZINC000009280103 170369633 /nfs/dbraw/zinc/36/96/33/170369633.db2.gz YUHZWYSLTFMNDC-UHFFFAOYSA-N 0 0 297.427 4.167 10 0 CIAERN Cc1nn(-c2ccccc2)c(Oc2ccccc2C)c1C=O ZINC000009280587 170370169 /nfs/dbraw/zinc/37/01/69/170370169.db2.gz OAJBZDBXDUCHGB-UHFFFAOYSA-N 0 0 292.338 4.094 10 0 CIAERN COc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009331107 170372216 /nfs/dbraw/zinc/37/22/16/170372216.db2.gz AEYJBZVCFPQPKZ-JCGIZDLHSA-N 0 0 299.345 4.079 10 0 CIAERN O=C(CCC1CCCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009899868 170389067 /nfs/dbraw/zinc/38/90/67/170389067.db2.gz LYSUUCSAIJSZCT-UHFFFAOYSA-N 0 0 296.414 4.023 10 0 CIAERN Cn1cc(C(=O)CSc2ccccc2)c2ccccc21 ZINC000010007612 170394724 /nfs/dbraw/zinc/39/47/24/170394724.db2.gz GBBQUCPVHXXYQH-UHFFFAOYSA-N 0 0 281.380 4.153 10 0 CIAERN Cc1nc2ccccc2cc1C(=O)N[C@@H](C)c1cccs1 ZINC000010085620 170397326 /nfs/dbraw/zinc/39/73/26/170397326.db2.gz OMCIBNONDNKNND-LBPRGKRZSA-N 0 0 296.395 4.096 10 0 CIAERN Cc1cc(C)cc(NC(=O)CCOc2cc(C)cc(C)c2)c1 ZINC000011637506 170430164 /nfs/dbraw/zinc/43/01/64/170430164.db2.gz ZIHWPZONZTVSTE-UHFFFAOYSA-N 0 0 297.398 4.328 10 0 CIAERN NC(=S)c1cccc(OCc2cccc3ccccc32)c1 ZINC000011863819 170450911 /nfs/dbraw/zinc/45/09/11/170450911.db2.gz DAUMULIDQZIROY-UHFFFAOYSA-N 0 0 293.391 4.053 10 0 CIAERN CC(C)c1c2nccnc2[nH]c1-c1ccc(Cl)cc1 ZINC000013492970 170556349 /nfs/dbraw/zinc/55/63/49/170556349.db2.gz GFJIABMYYUGNEC-UHFFFAOYSA-N 0 0 271.751 4.402 10 0 CIAERN C[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@@H]2C ZINC000013557154 170562443 /nfs/dbraw/zinc/56/24/43/170562443.db2.gz KZUYEPBUFHNSDS-TXEJJXNPSA-N 0 0 292.378 4.393 10 0 CIAERN Cc1ccc(NC(=S)N2CCC[C@@H](C)C2)cc1Cl ZINC000013826272 170600966 /nfs/dbraw/zinc/60/09/66/170600966.db2.gz VZZUGHVLLZHKOR-SNVBAGLBSA-N 0 0 282.840 4.077 10 0 CIAERN CC[C@H]1CCCCN1C(=S)Nc1cc(C)ccc1C ZINC000013829315 170602076 /nfs/dbraw/zinc/60/20/76/170602076.db2.gz FTOKESIXGRDTSY-AWEZNQCLSA-N 0 0 276.449 4.265 10 0 CIAERN S=C(Nc1cccnc1)Nc1cc(Cl)ccc1Cl ZINC000013837077 170603592 /nfs/dbraw/zinc/60/35/92/170603592.db2.gz XWLUFBYPEMHZDD-UHFFFAOYSA-N 0 0 298.198 4.197 10 0 CIAERN Cc1ccsc1[C@H](O)c1cc2ccccc2s1 ZINC000013913477 170607294 /nfs/dbraw/zinc/60/72/94/170607294.db2.gz QQYVXGUMZJFUIA-CYBMUJFWSA-N 0 0 260.383 4.353 10 0 CIAERN Cc1ccc(NC(=O)c2sccc2[N-][N+]#N)cc1Cl ZINC000015022767 170654911 /nfs/dbraw/zinc/65/49/11/170654911.db2.gz HCZPPTYYTFCWGQ-UHFFFAOYSA-O 0 0 293.759 4.142 10 0 CIAERN CCCCc1ccc(-c2cccc(CCO)c2)cc1 ZINC000015441209 170666721 /nfs/dbraw/zinc/66/67/21/170666721.db2.gz LWICWQGVMOFPEH-UHFFFAOYSA-N 0 0 254.373 4.231 10 0 CIAERN CCCNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000016639748 170706681 /nfs/dbraw/zinc/70/66/81/170706681.db2.gz VYBQGXRSOUDBAB-UHFFFAOYSA-N 0 0 298.169 4.393 10 0 CIAERN CCc1ccc(C(=O)[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000016872900 170713617 /nfs/dbraw/zinc/71/36/17/170713617.db2.gz QDRCDOMLTWZLLW-IRXDYDNUSA-N 0 0 250.341 4.235 10 0 CIAERN CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N)c1 ZINC000019272485 170767738 /nfs/dbraw/zinc/76/77/38/170767738.db2.gz PWHNMKBBCVXBMK-UHFFFAOYSA-N 0 0 288.778 4.045 10 0 CIAERN CC(C)c1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000019803643 170872974 /nfs/dbraw/zinc/87/29/74/170872974.db2.gz JRBWWEJQENUZKB-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN Nc1ccc(O[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000019845833 170894109 /nfs/dbraw/zinc/89/41/09/170894109.db2.gz VYHWWUVRWPLSHY-HNNXBMFYSA-N 0 0 273.763 4.379 10 0 CIAERN Nc1cc(Cl)ccc1Oc1ccccc1Br ZINC000019845906 170894436 /nfs/dbraw/zinc/89/44/36/170894436.db2.gz JOEBWDLHVJECRO-UHFFFAOYSA-N 0 0 298.567 4.477 10 0 CIAERN CC(=O)c1c(F)cccc1Oc1ccc(C)c(C)c1 ZINC000019871502 170901900 /nfs/dbraw/zinc/90/19/00/170901900.db2.gz CRWNKBMPBCSTKS-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN COc1ccc(N[C@@H]2CCOc3ccccc32)cc1Cl ZINC000019903600 170915209 /nfs/dbraw/zinc/91/52/09/170915209.db2.gz RKDYAWHEGMAFGH-CQSZACIVSA-N 0 0 289.762 4.284 10 0 CIAERN COc1ccc([C@@H](C)Nc2cc(F)ccc2F)c(OC)c1 ZINC000019907902 170920064 /nfs/dbraw/zinc/92/00/64/170920064.db2.gz FBPZXOMMUIAZHT-SNVBAGLBSA-N 0 0 293.313 4.155 10 0 CIAERN C[C@@H](Nc1cc(F)ccc1F)c1ccc(F)cc1F ZINC000019907881 170920112 /nfs/dbraw/zinc/92/01/12/170920112.db2.gz JFNNJMMZPDHOEU-MRVPVSSYSA-N 0 0 269.241 4.416 10 0 CIAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000019909870 170921369 /nfs/dbraw/zinc/92/13/69/170921369.db2.gz FWDXXSYDVDTIMI-SECBINFHSA-N 0 0 255.239 4.472 10 0 CIAERN COc1ccc(OC)c(N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000019910677 170921574 /nfs/dbraw/zinc/92/15/74/170921574.db2.gz UWCXSBCWGPTCEA-JTQLQIEISA-N 0 0 293.313 4.155 10 0 CIAERN COc1ccc(OC)c(N[C@H](C)c2ccc(C)cc2)c1 ZINC000019910486 170921735 /nfs/dbraw/zinc/92/17/35/170921735.db2.gz UWTDSRKTLOIZHA-CYBMUJFWSA-N 0 0 271.360 4.185 10 0 CIAERN Cc1ccc(N[C@H]2CCOc3ccccc32)cc1C ZINC000019920271 170928384 /nfs/dbraw/zinc/92/83/84/170928384.db2.gz YJEBAJSYQVZATB-INIZCTEOSA-N 0 0 253.345 4.239 10 0 CIAERN Cc1nc([C@@H](N)c2ccc(Cl)c(Cl)c2)sc1C ZINC000019931435 170930585 /nfs/dbraw/zinc/93/05/85/170930585.db2.gz BKYIMMRCDSGWTD-NSHDSACASA-N 0 0 287.215 4.115 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccccc2F)c(OC)c1 ZINC000019944694 170936123 /nfs/dbraw/zinc/93/61/23/170936123.db2.gz OIGKKKXNGFSRED-LLVKDONJSA-N 0 0 275.323 4.016 10 0 CIAERN C[C@@H](CCc1ccc(O)cc1)Nc1cc(F)cc(F)c1 ZINC000019961939 170943716 /nfs/dbraw/zinc/94/37/16/170943716.db2.gz ARSIGKCWVPDKLN-NSHDSACASA-N 0 0 277.314 4.104 10 0 CIAERN COc1cccc(N[C@@H](C)c2nc3ccccc3s2)c1 ZINC000019964154 170945523 /nfs/dbraw/zinc/94/55/23/170945523.db2.gz ITNXYLSVSSRTPY-NSHDSACASA-N 0 0 284.384 4.478 10 0 CIAERN CC[C@H](C)Nc1c(C)cc(Br)cc1C ZINC000020002753 170966277 /nfs/dbraw/zinc/96/62/77/170966277.db2.gz TUPMUOWGQJQZDH-JTQLQIEISA-N 0 0 256.187 4.276 10 0 CIAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1cccs1 ZINC000020003295 170966647 /nfs/dbraw/zinc/96/66/47/170966647.db2.gz UISJRMYBVTUTPO-MRVPVSSYSA-N 0 0 283.299 4.243 10 0 CIAERN CCC(=O)Nc1cccc(N[C@@H]2CCCC[C@H]2C)c1 ZINC000020131846 171020538 /nfs/dbraw/zinc/02/05/38/171020538.db2.gz SGQHLFOAWRDMNH-IUODEOHRSA-N 0 0 260.381 4.026 10 0 CIAERN Clc1ccccc1CNc1ccc2[nH]ccc2c1 ZINC000020132220 171020630 /nfs/dbraw/zinc/02/06/30/171020630.db2.gz PGKMCQYTEQAHMJ-UHFFFAOYSA-N 0 0 256.736 4.433 10 0 CIAERN C[C@@H](NCc1nc2ccccc2s1)c1cccc(F)c1 ZINC000020136287 171023739 /nfs/dbraw/zinc/02/37/39/171023739.db2.gz PJQTWIJWNWSEEI-LLVKDONJSA-N 0 0 286.375 4.286 10 0 CIAERN C[C@H](NCc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000020136166 171024067 /nfs/dbraw/zinc/02/40/67/171024067.db2.gz RSGANCPQRSWHMV-NSHDSACASA-N 0 0 286.375 4.286 10 0 CIAERN C[C@H](NCc1ccc(Br)o1)c1cccc(F)c1 ZINC000020147805 171034971 /nfs/dbraw/zinc/03/49/71/171034971.db2.gz ACMRGNPDJGCTSX-VIFPVBQESA-N 0 0 298.155 4.032 10 0 CIAERN Cc1nc([C@@H](C)N[C@@H](C)c2cccs2)c(C)s1 ZINC000020148663 171037255 /nfs/dbraw/zinc/03/72/55/171037255.db2.gz GGXNLHNPBOBMFI-DTWKUNHWSA-N 0 0 266.435 4.233 10 0 CIAERN CSc1ccc([C@@H](C)Nc2cccc(O)c2)cc1 ZINC000020194076 171059978 /nfs/dbraw/zinc/05/99/78/171059978.db2.gz ZFKPAWWXRKOVIV-LLVKDONJSA-N 0 0 259.374 4.287 10 0 CIAERN Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1N ZINC000020195062 171060458 /nfs/dbraw/zinc/06/04/58/171060458.db2.gz AXGLUYQXLSXQBA-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CC(C)c1ccccc1N[C@H](C)C(=O)Nc1ccccc1 ZINC000020301072 171139063 /nfs/dbraw/zinc/13/90/63/171139063.db2.gz VRWUOEMJSJCJSY-CQSZACIVSA-N 0 0 282.387 4.249 10 0 CIAERN Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2)c(Cl)c1 ZINC000020301032 171139135 /nfs/dbraw/zinc/13/91/35/171139135.db2.gz HUTGWABHIDIZSM-LBPRGKRZSA-N 0 0 288.778 4.088 10 0 CIAERN COc1ccc(C=O)cc1OCc1ccc(C(C)C)cc1 ZINC000020302726 171139336 /nfs/dbraw/zinc/13/93/36/171139336.db2.gz WZOCPHHIYTWLGK-UHFFFAOYSA-N 0 0 284.355 4.210 10 0 CIAERN CC(C)c1ccc(-c2csc3ncnc(N)c23)cc1 ZINC000020321001 171148910 /nfs/dbraw/zinc/14/89/10/171148910.db2.gz RLDONEHGKBWOQR-UHFFFAOYSA-N 0 0 269.373 4.064 10 0 CIAERN Cc1[nH]n(C(C)C)c2nc(-c3ccc4occc4c3)nc1-2 ZINC000020326466 171151007 /nfs/dbraw/zinc/15/10/07/171151007.db2.gz SJVRWMZEAOTQNO-UHFFFAOYSA-N 0 0 280.331 4.062 10 0 CIAERN Cc1ccc(COc2ccc(C(F)(F)F)cc2N)cc1 ZINC000020352051 171156278 /nfs/dbraw/zinc/15/62/78/171156278.db2.gz XYFGLGQCCUZMHK-UHFFFAOYSA-N 0 0 281.277 4.175 10 0 CIAERN Cn1cccc1CNc1ccccc1Oc1ccccc1 ZINC000020360052 171158767 /nfs/dbraw/zinc/15/87/67/171158767.db2.gz VEJJSFICJBTYFW-UHFFFAOYSA-N 0 0 278.355 4.430 10 0 CIAERN CCCOc1ccc(Oc2ccccc2C(C)=O)cc1 ZINC000020368580 171166911 /nfs/dbraw/zinc/16/69/11/171166911.db2.gz QSVIVDSFXAIICI-UHFFFAOYSA-N 0 0 270.328 4.470 10 0 CIAERN C[C@H](Nc1ccc(N)nc1)c1ccc(Cl)cc1Cl ZINC000020381387 171172677 /nfs/dbraw/zinc/17/26/77/171172677.db2.gz RCIZZJCXXFWAKR-QMMMGPOBSA-N 0 0 282.174 4.144 10 0 CIAERN Nc1cc(Cl)ccc1NCc1ccccc1Cl ZINC000020382754 171173223 /nfs/dbraw/zinc/17/32/23/171173223.db2.gz IIHRZRGTXOQFSI-UHFFFAOYSA-N 0 0 267.159 4.188 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1ccc(Br)cc1N ZINC000020383645 171174542 /nfs/dbraw/zinc/17/45/42/171174542.db2.gz QCQSMJADTLEKPU-BXKDBHETSA-N 0 0 283.213 4.022 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2N)[C@@H]1C ZINC000020383541 171174743 /nfs/dbraw/zinc/17/47/43/171174743.db2.gz WGEUMWAOXQABNA-BREBYQMCSA-N 0 0 252.789 4.159 10 0 CIAERN CCc1ccc(COc2c(C)cc(C=O)cc2C)s1 ZINC000020424502 171191467 /nfs/dbraw/zinc/19/14/67/171191467.db2.gz PXVOCJPRBPCWQF-UHFFFAOYSA-N 0 0 274.385 4.319 10 0 CIAERN Fc1ccc(NC[C@@H]2CC=CCC2)c(Br)c1 ZINC000020430317 171194958 /nfs/dbraw/zinc/19/49/58/171194958.db2.gz YGKXSODJQRBWCH-SNVBAGLBSA-N 0 0 284.172 4.356 10 0 CIAERN CC[C@@H](C)CNc1ccc(F)cc1Br ZINC000020430286 171195009 /nfs/dbraw/zinc/19/50/09/171195009.db2.gz WPXJFMDLFQVCTJ-MRVPVSSYSA-N 0 0 260.150 4.046 10 0 CIAERN COc1ccc(-c2nc(-c3cccc(O)c3)sc2C)cc1 ZINC000020433001 171197761 /nfs/dbraw/zinc/19/77/61/171197761.db2.gz CQYBTRUJZGTWBY-UHFFFAOYSA-N 0 0 297.379 4.500 10 0 CIAERN OCc1ccc(Oc2cccc(Cl)c2Cl)c(F)c1 ZINC000020435095 171200896 /nfs/dbraw/zinc/20/08/96/171200896.db2.gz NRTFMXCQKGNWGB-UHFFFAOYSA-N 0 0 287.117 4.417 10 0 CIAERN CCc1ccc(Oc2cccc(Cl)c2CO)cc1 ZINC000020435334 171201214 /nfs/dbraw/zinc/20/12/14/171201214.db2.gz HAYVYIPUDIQXJH-UHFFFAOYSA-N 0 0 262.736 4.187 10 0 CIAERN Cc1cc(Oc2ccc(CO)cc2)ccc1C(C)C ZINC000020435341 171201428 /nfs/dbraw/zinc/20/14/28/171201428.db2.gz RNOPRQYSIMIJCM-UHFFFAOYSA-N 0 0 256.345 4.403 10 0 CIAERN Cc1cc(Cl)cc(C)c1Oc1ccc(CO)cc1 ZINC000020435273 171201485 /nfs/dbraw/zinc/20/14/85/171201485.db2.gz MJMKFNBYAGQDCZ-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN C[C@@H](Nc1cccc(Cl)c1F)c1cccc(O)c1 ZINC000020472272 171215044 /nfs/dbraw/zinc/21/50/44/171215044.db2.gz CAEKACNRQYIDSR-SECBINFHSA-N 0 0 265.715 4.358 10 0 CIAERN C[C@@H](Nc1cccc(Cl)c1F)c1cccnc1 ZINC000020472363 171215095 /nfs/dbraw/zinc/21/50/95/171215095.db2.gz FDKIBMYCRNMQOW-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN CC(C)Oc1ccc(NCCc2ccccc2)cc1 ZINC000020472953 171216575 /nfs/dbraw/zinc/21/65/75/171216575.db2.gz ATGCEBQMZKEXJF-UHFFFAOYSA-N 0 0 255.361 4.128 10 0 CIAERN Cc1ccc(Oc2ccc(N)cc2F)c(Br)c1 ZINC000020474955 171218925 /nfs/dbraw/zinc/21/89/25/171218925.db2.gz LXMKFTDFODXLQA-UHFFFAOYSA-N 0 0 296.139 4.271 10 0 CIAERN Nc1ccc(Sc2nc3ccccc3s2)c(F)c1 ZINC000020474961 171219016 /nfs/dbraw/zinc/21/90/16/171219016.db2.gz MJAPVFFNJLOCIM-UHFFFAOYSA-N 0 0 276.361 4.169 10 0 CIAERN Cc1ccc(N)c(OCc2ccc(C(C)C)cc2)c1 ZINC000020475696 171219836 /nfs/dbraw/zinc/21/98/36/171219836.db2.gz YEBURUHHCKINRR-UHFFFAOYSA-N 0 0 255.361 4.280 10 0 CIAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(F)cc1F ZINC000020476152 171220308 /nfs/dbraw/zinc/22/03/08/171220308.db2.gz ZJCQWDNSHRAHEQ-MRVPVSSYSA-N 0 0 269.241 4.416 10 0 CIAERN COc1cccc([C@@H](C)Nc2c(F)cccc2F)c1 ZINC000020476214 171220534 /nfs/dbraw/zinc/22/05/34/171220534.db2.gz ADZMAXSLMATVKB-SNVBAGLBSA-N 0 0 263.287 4.147 10 0 CIAERN CCCCN(CCCC)c1c(N)cccc1Cl ZINC000020484593 171224746 /nfs/dbraw/zinc/22/47/46/171224746.db2.gz JRRCTJPOJWRSDQ-UHFFFAOYSA-N 0 0 254.805 4.329 10 0 CIAERN Clc1cc(Cl)c(NC[C@H]2CCOC2)c(Cl)c1 ZINC000020505073 171227525 /nfs/dbraw/zinc/22/75/25/171227525.db2.gz PNIDIOXNPCQTMO-SSDOTTSWSA-N 0 0 280.582 4.095 10 0 CIAERN C[C@@H]1CCC[C@H](Oc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000020507240 171228696 /nfs/dbraw/zinc/22/86/96/171228696.db2.gz VXAIDSIITKSXLY-ZJUUUORDSA-N 0 0 273.298 4.245 10 0 CIAERN C[C@@H]1CCC[C@@H](Oc2ccc(N)c(C(F)(F)F)c2)C1 ZINC000020507237 171228829 /nfs/dbraw/zinc/22/88/29/171228829.db2.gz VXAIDSIITKSXLY-NXEZZACHSA-N 0 0 273.298 4.245 10 0 CIAERN CCCC[C@@H](CC)COc1ccc(C=O)cc1F ZINC000020517172 171232676 /nfs/dbraw/zinc/23/26/76/171232676.db2.gz JXXYFNLAYXIGSX-GFCCVEGCSA-N 0 0 252.329 4.233 10 0 CIAERN C[C@H]1CCC[C@@H](Oc2cccc(Cl)c2C=O)C1 ZINC000020517236 171232748 /nfs/dbraw/zinc/23/27/48/171232748.db2.gz RLYGTOHSSZNSJQ-WDEREUQCSA-N 0 0 252.741 4.110 10 0 CIAERN C[C@@H]1CCC[C@@H](Oc2cccc(Cl)c2C=O)C1 ZINC000020517235 171232774 /nfs/dbraw/zinc/23/27/74/171232774.db2.gz RLYGTOHSSZNSJQ-GHMZBOCLSA-N 0 0 252.741 4.110 10 0 CIAERN C[C@H]1CCC[C@H](Oc2cccc(Cl)c2C=O)C1 ZINC000020517238 171232850 /nfs/dbraw/zinc/23/28/50/171232850.db2.gz RLYGTOHSSZNSJQ-QWRGUYRKSA-N 0 0 252.741 4.110 10 0 CIAERN NC(=S)CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000020518847 171233275 /nfs/dbraw/zinc/23/32/75/171233275.db2.gz GGWJHSOTZLDOOH-UHFFFAOYSA-N 0 0 298.622 4.092 10 0 CIAERN CCCCCC[C@@H](C)Nc1cc(OC)cc(OC)c1 ZINC000020519987 171233968 /nfs/dbraw/zinc/23/39/68/171233968.db2.gz NIOIJFCBQZSNSZ-CYBMUJFWSA-N 0 0 265.397 4.475 10 0 CIAERN Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1N ZINC000020521691 171234857 /nfs/dbraw/zinc/23/48/57/171234857.db2.gz VBEIUWMYXYQFBO-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1ccc(C)c(Cl)c1 ZINC000020524195 171237489 /nfs/dbraw/zinc/23/74/89/171237489.db2.gz NMMQEHUWONLHIN-NSHDSACASA-N 0 0 255.789 4.264 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccc(SC)cc1 ZINC000020524265 171237498 /nfs/dbraw/zinc/23/74/98/171237498.db2.gz SQGFWTMEGZSFMW-LLVKDONJSA-N 0 0 253.411 4.024 10 0 CIAERN CC(C)C[C@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000020545001 171243107 /nfs/dbraw/zinc/24/31/07/171243107.db2.gz RQGKOIUYELYTGS-VIFPVBQESA-N 0 0 261.287 4.101 10 0 CIAERN COc1ccc(OCc2cccc(N)c2)c(C(C)(C)C)c1 ZINC000020550268 171246649 /nfs/dbraw/zinc/24/66/49/171246649.db2.gz VRBPPEVRHHSFNH-UHFFFAOYSA-N 0 0 285.387 4.154 10 0 CIAERN Cc1ccc(CNc2cccc3ncccc32)c(C)c1 ZINC000020550024 171246834 /nfs/dbraw/zinc/24/68/34/171246834.db2.gz NTOWDTYQKBEGSD-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN CCC1CCC(Nc2ccc3c(c2)OCCCO3)CC1 ZINC000020550323 171246973 /nfs/dbraw/zinc/24/69/73/171246973.db2.gz XQROARGNYJJLQO-UHFFFAOYSA-N 0 0 275.392 4.229 10 0 CIAERN CC[C@H](C)C[C@H](CC)Nc1ccc2c(c1)OCCCO2 ZINC000020552413 171247754 /nfs/dbraw/zinc/24/77/54/171247754.db2.gz XIZGKSAXQCKJDC-KBPBESRZSA-N 0 0 277.408 4.475 10 0 CIAERN C[C@@H](NCC(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000020553387 171248903 /nfs/dbraw/zinc/24/89/03/171248903.db2.gz AVTNMTANRMSKDE-LLVKDONJSA-N 0 0 291.316 4.471 10 0 CIAERN C[C@H](CCc1ccccc1)Nc1cc(F)cc(F)c1 ZINC000020554119 171249061 /nfs/dbraw/zinc/24/90/61/171249061.db2.gz QLDFBBUSDFYDNW-GFCCVEGCSA-N 0 0 261.315 4.398 10 0 CIAERN COc1ccc(NCCc2ccccc2)cc1Cl ZINC000020556205 171250079 /nfs/dbraw/zinc/25/00/79/171250079.db2.gz OGGDRMWRDISPDA-UHFFFAOYSA-N 0 0 261.752 4.003 10 0 CIAERN CCc1ccc(OC[C@H](N)c2cc3ccccc3o2)cc1 ZINC000020557098 171250248 /nfs/dbraw/zinc/25/02/48/171250248.db2.gz UDYOTCBEAYNMBA-INIZCTEOSA-N 0 0 281.355 4.074 10 0 CIAERN COc1ccc(N[C@H](C)c2ccc(C(C)C)cc2)cn1 ZINC000020558003 171250625 /nfs/dbraw/zinc/25/06/25/171250625.db2.gz AGFHCRNGRUCPJT-CYBMUJFWSA-N 0 0 270.376 4.387 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1cc(Cl)c(OC)cc1OC ZINC000020558849 171251070 /nfs/dbraw/zinc/25/10/70/171251070.db2.gz UUOBGEUWKZKQFR-VHSXEESVSA-N 0 0 271.788 4.204 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000020563681 171253052 /nfs/dbraw/zinc/25/30/52/171253052.db2.gz FHPCNJFHCKLCRF-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN CC(=O)c1ccc(O[C@H]2CCCc3ccccc32)c(F)c1 ZINC000020564376 171253619 /nfs/dbraw/zinc/25/36/19/171253619.db2.gz ZPQXQPDNAQJHQE-KRWDZBQOSA-N 0 0 284.330 4.485 10 0 CIAERN CCc1ccc(CNc2cccc3cccnc32)cc1 ZINC000020565145 171253875 /nfs/dbraw/zinc/25/38/75/171253875.db2.gz MRUWZUXOTCASMG-UHFFFAOYSA-N 0 0 262.356 4.409 10 0 CIAERN Nc1cc(Cl)ccc1NC12CC3CC(CC(C3)C1)C2 ZINC000020584793 171258156 /nfs/dbraw/zinc/25/81/56/171258156.db2.gz OOBALOQDYNYLHK-UHFFFAOYSA-N 0 0 276.811 4.303 10 0 CIAERN COc1ccc(Nc2ccc(Cl)cc2N)cc1Cl ZINC000020584818 171258261 /nfs/dbraw/zinc/25/82/61/171258261.db2.gz HJTNXUSIIMWHHV-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN COc1ccc(Cl)cc1Nc1c(N)cccc1Cl ZINC000020585380 171258598 /nfs/dbraw/zinc/25/85/98/171258598.db2.gz ZYLNQCATAOFIFQ-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN CSc1ccc(Nc2ccc(Cl)cc2N)cc1 ZINC000020585098 171258835 /nfs/dbraw/zinc/25/88/35/171258835.db2.gz RZIBRAPFJRKXAH-UHFFFAOYSA-N 0 0 264.781 4.388 10 0 CIAERN Nc1cc(Br)ccc1Nc1cc(F)cc(F)c1 ZINC000020585693 171258892 /nfs/dbraw/zinc/25/88/92/171258892.db2.gz CWVCGRCIQYUGKP-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN S=c1[nH]c2ccccc2n1-c1cccc(Cl)c1 ZINC000020585949 171258912 /nfs/dbraw/zinc/25/89/12/171258912.db2.gz WONYCXZEJKTHMC-UHFFFAOYSA-N 0 0 260.749 4.341 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccccc1Cl ZINC000020585573 171258933 /nfs/dbraw/zinc/25/89/33/171258933.db2.gz PDUXGEXYXIFRPU-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccccc1Cl ZINC000020585577 171258995 /nfs/dbraw/zinc/25/89/95/171258995.db2.gz UTQSUDKKBZEXHH-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN CCc1ccc(Nc2ccc(Br)cc2N)cc1 ZINC000020585639 171258997 /nfs/dbraw/zinc/25/89/97/171258997.db2.gz WFLKYDBRXMTUPR-UHFFFAOYSA-N 0 0 291.192 4.337 10 0 CIAERN Cc1ccc(F)cc1Nc1ccc(N)cc1Cl ZINC000020585631 171259071 /nfs/dbraw/zinc/25/90/71/171259071.db2.gz APTGWECDUFFQEF-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN COc1ccc(C)cc1[C@@H](N)c1oc2ccccc2c1C ZINC000020592938 171262743 /nfs/dbraw/zinc/26/27/43/171262743.db2.gz LRHNZXKIYRMVMK-QGZVFWFLSA-N 0 0 281.355 4.106 10 0 CIAERN C[C@H](Nc1ccc(F)cc1Cl)c1ccc(O)cc1 ZINC000020595123 171264048 /nfs/dbraw/zinc/26/40/48/171264048.db2.gz BBJSTOZOSJTOFS-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN CC[C@@H](C)Sc1nnc(C(C)(C)C)n1-c1ccccc1 ZINC000020838929 171275672 /nfs/dbraw/zinc/27/56/72/171275672.db2.gz JCPBIFIUMUHFMP-GFCCVEGCSA-N 0 0 289.448 4.455 10 0 CIAERN CC[C@@H](C)NC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000020986008 171282716 /nfs/dbraw/zinc/28/27/16/171282716.db2.gz JRANDGIJRGBHAI-GFCCVEGCSA-N 0 0 298.411 4.220 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000021008845 171285592 /nfs/dbraw/zinc/28/55/92/171285592.db2.gz KJLVFQFJJBQJKO-UWVGGRQHSA-N 0 0 261.287 4.432 10 0 CIAERN CCN(c1ccc(C(C)=O)cc1F)C1CCCCC1 ZINC000021011513 171287078 /nfs/dbraw/zinc/28/70/78/171287078.db2.gz BZJPMFTUBMOWPC-UHFFFAOYSA-N 0 0 263.356 4.187 10 0 CIAERN Cc1ccc(CNc2ccc3c(c2)OC(F)(F)O3)c(C)c1 ZINC000021012449 171287958 /nfs/dbraw/zinc/28/79/58/171287958.db2.gz BOGGFUKWHIPZHF-UHFFFAOYSA-N 0 0 291.297 4.237 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1cc(OC)c(Cl)cc1OC ZINC000021014873 171289119 /nfs/dbraw/zinc/28/91/19/171289119.db2.gz ARBKIYSXDOIORP-UWVGGRQHSA-N 0 0 271.788 4.204 10 0 CIAERN Cc1ccc(O)c(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000021019864 171290148 /nfs/dbraw/zinc/29/01/48/171290148.db2.gz ZZJBVYYLHRQPKG-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN COc1ccc(OC)c(CNc2ccc(C(C)C)cc2)c1 ZINC000021032783 171292118 /nfs/dbraw/zinc/29/21/18/171292118.db2.gz MEFLKUDZGNHHHI-UHFFFAOYSA-N 0 0 285.387 4.439 10 0 CIAERN CCc1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000021045885 171293980 /nfs/dbraw/zinc/29/39/80/171293980.db2.gz DCNRRLHYDQLJDE-UHFFFAOYSA-N 0 0 262.356 4.409 10 0 CIAERN CCOc1ccccc1CNc1cccc(Cl)c1 ZINC000021050298 171295021 /nfs/dbraw/zinc/29/50/21/171295021.db2.gz BUUCQXWJEJJUPT-UHFFFAOYSA-N 0 0 261.752 4.351 10 0 CIAERN Cc1cc(Cl)cc(C)c1Oc1ccc(C(N)=S)cc1 ZINC000021051555 171295112 /nfs/dbraw/zinc/29/51/12/171295112.db2.gz YTNZGMXYNCNRAI-UHFFFAOYSA-N 0 0 291.803 4.383 10 0 CIAERN CCC[C@H](C)CNc1ccc(OCC)c(OCC)c1 ZINC000021052002 171295261 /nfs/dbraw/zinc/29/52/61/171295261.db2.gz ZLBHINYLQYYXHC-ZDUSSCGKSA-N 0 0 265.397 4.332 10 0 CIAERN Cc1cccc(NC(=O)c2cc(Cl)c(C)c(F)c2F)c1 ZINC000021266665 171300373 /nfs/dbraw/zinc/30/03/73/171300373.db2.gz XNHKQTGOSCRWKH-UHFFFAOYSA-N 0 0 295.716 4.487 10 0 CIAERN c1cc2cc(NCCCc3ccccc3)ccc2[nH]1 ZINC000021499826 171304350 /nfs/dbraw/zinc/30/43/50/171304350.db2.gz UEJUDXPIVTURFX-UHFFFAOYSA-N 0 0 250.345 4.213 10 0 CIAERN Cc1cc(OCc2ccc(C(C)(C)C)cc2)ccc1N ZINC000021500915 171305264 /nfs/dbraw/zinc/30/52/64/171305264.db2.gz IONIAACGDVYRIU-UHFFFAOYSA-N 0 0 269.388 4.454 10 0 CIAERN CC(C)c1ccccc1N1Cc2ccccc2C1=N ZINC000021502249 171305925 /nfs/dbraw/zinc/30/59/25/171305925.db2.gz MWOYWHVAVSWBDN-UHFFFAOYSA-N 0 0 250.345 4.156 10 0 CIAERN CC(=O)c1ccc(N(Cc2ccccc2)C(C)C)cc1 ZINC000021506756 171308286 /nfs/dbraw/zinc/30/82/86/171308286.db2.gz XOHWJHMWMXLZCV-UHFFFAOYSA-N 0 0 267.372 4.304 10 0 CIAERN CCC[C@H](C)CNc1ccccc1Br ZINC000021508544 171308774 /nfs/dbraw/zinc/30/87/74/171308774.db2.gz NKONANULJXGOJI-JTQLQIEISA-N 0 0 256.187 4.297 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C=O)cc1 ZINC000021508477 171308830 /nfs/dbraw/zinc/30/88/30/171308830.db2.gz RBJGXRNLHNXKRM-COXVUDFISA-N 0 0 260.377 4.339 10 0 CIAERN CCOc1ccc(N[C@H](C)[C@H](C)CC)cc1OCC ZINC000021510693 171310101 /nfs/dbraw/zinc/31/01/01/171310101.db2.gz KAIOPGJMGSJNEN-CHWSQXEVSA-N 0 0 265.397 4.331 10 0 CIAERN C[C@@H]1Cc2ccccc2N1c1ccc(C(F)(F)F)cc1N ZINC000021512011 171310794 /nfs/dbraw/zinc/31/07/94/171310794.db2.gz FRQXEZBINYUVRB-SNVBAGLBSA-N 0 0 292.304 4.370 10 0 CIAERN CCc1cccc(Oc2ccc(C(C)=O)cc2F)c1 ZINC000021516526 171312842 /nfs/dbraw/zinc/31/28/42/171312842.db2.gz SNTWVZDRAQFJQT-UHFFFAOYSA-N 0 0 258.292 4.383 10 0 CIAERN COc1cc(N[C@@H](C)CC(C)C)c(OC)cc1Cl ZINC000021516367 171312921 /nfs/dbraw/zinc/31/29/21/171312921.db2.gz GCSAFNXCBQYERF-JTQLQIEISA-N 0 0 271.788 4.204 10 0 CIAERN NC(=S)c1ccc(Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021517921 171314048 /nfs/dbraw/zinc/31/40/48/171314048.db2.gz HCWVEYWGLMHTCQ-UHFFFAOYSA-N 0 0 297.210 4.371 10 0 CIAERN CCCC(CCC)Nc1ccc2c(c1)OCCCO2 ZINC000021518415 171314659 /nfs/dbraw/zinc/31/46/59/171314659.db2.gz ARUNVXSKSWBLLE-UHFFFAOYSA-N 0 0 263.381 4.229 10 0 CIAERN Cc1cccc(C)c1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695497 171318904 /nfs/dbraw/zinc/31/89/04/171318904.db2.gz ZJLRWWXYGULIQE-UHFFFAOYSA-N 0 0 283.346 4.113 10 0 CIAERN CC(C)(C)c1ccc(COc2ccc(C(N)=S)cc2)cc1 ZINC000021786887 171322506 /nfs/dbraw/zinc/32/25/06/171322506.db2.gz LJQLYFRJHDIBPR-UHFFFAOYSA-N 0 0 299.439 4.197 10 0 CIAERN CCOc1ccc(OCC)c(NC(CC)CC)c1 ZINC000021789475 171323363 /nfs/dbraw/zinc/32/33/63/171323363.db2.gz RKRUWDICZLRGBK-UHFFFAOYSA-N 0 0 251.370 4.085 10 0 CIAERN CC[C@H](C)C[C@H](CC)Nc1ccc(OC)cc1OC ZINC000021811567 171329237 /nfs/dbraw/zinc/32/92/37/171329237.db2.gz ONLPUWNCZDTHPJ-STQMWFEESA-N 0 0 265.397 4.331 10 0 CIAERN c1ccc(C2CCC(Nc3cccnc3)CC2)cc1 ZINC000021811666 171329247 /nfs/dbraw/zinc/32/92/47/171329247.db2.gz YIOKRMFSPMYXPB-UHFFFAOYSA-N 0 0 252.361 4.220 10 0 CIAERN Fc1ccc(CNc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021812630 171330168 /nfs/dbraw/zinc/33/01/68/171330168.db2.gz FPCQSAYMDRTBJB-UHFFFAOYSA-N 0 0 291.194 4.133 10 0 CIAERN CC(=O)c1ccc(N2c3ccccc3C[C@H]2C)c(F)c1 ZINC000021812953 171330279 /nfs/dbraw/zinc/33/02/79/171330279.db2.gz IEGLNOYQWQXGPF-LLVKDONJSA-N 0 0 269.319 4.111 10 0 CIAERN COc1ccc(Cl)cc1N[C@@H]1CCC[C@@H](C)C1 ZINC000021815612 171331995 /nfs/dbraw/zinc/33/19/95/171331995.db2.gz ILGBGRNLTBYFNM-ZYHUDNBSSA-N 0 0 253.773 4.339 10 0 CIAERN CC(C)c1ccc([C@H](N)C(F)(F)F)c(C(C)C)c1 ZINC000021816707 171332373 /nfs/dbraw/zinc/33/23/73/171332373.db2.gz KBRDBUDFQOBAOZ-ZDUSSCGKSA-N 0 0 259.315 4.496 10 0 CIAERN C[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1C=O ZINC000021817523 171333197 /nfs/dbraw/zinc/33/31/97/171333197.db2.gz AYOBMHURRATSSM-ZWNOBZJWSA-N 0 0 252.741 4.110 10 0 CIAERN C[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1C=O ZINC000021817524 171333287 /nfs/dbraw/zinc/33/32/87/171333287.db2.gz AYOBMHURRATSSM-GXFFZTMASA-N 0 0 252.741 4.110 10 0 CIAERN COc1ccc(-c2cccc(C(F)(F)F)c2)cc1C=O ZINC000021950686 171339336 /nfs/dbraw/zinc/33/93/36/171339336.db2.gz JXLXHZALQSSIPZ-UHFFFAOYSA-N 0 0 280.245 4.194 10 0 CIAERN O=Cc1cc2c(Cl)cc(Cl)cc2nc1Cl ZINC000021982324 171344228 /nfs/dbraw/zinc/34/42/28/171344228.db2.gz YDECHGTYZOEIDA-UHFFFAOYSA-N 0 0 260.507 4.008 10 0 CIAERN CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000021987911 171345597 /nfs/dbraw/zinc/34/55/97/171345597.db2.gz VISNTYBUDIDKRV-AWEZNQCLSA-N 0 0 293.382 4.015 10 0 CIAERN Cc1cc2c(cnn2-c2ccccc2)cc1Br ZINC000021988158 171345822 /nfs/dbraw/zinc/34/58/22/171345822.db2.gz UTGHWPPINSVIKA-UHFFFAOYSA-N 0 0 287.160 4.096 10 0 CIAERN COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000022004678 171348912 /nfs/dbraw/zinc/34/89/12/171348912.db2.gz KQXWJYJLFZWYHI-UHFFFAOYSA-N 0 0 252.235 4.381 10 0 CIAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)OC(F)(F)O3)o1 ZINC000022151378 171358706 /nfs/dbraw/zinc/35/87/06/171358706.db2.gz HKMZLFHPDLVKSK-VIFPVBQESA-N 0 0 281.258 4.083 10 0 CIAERN Cc1cccc(C)c1OC[C@H](N)c1cc2ccccc2o1 ZINC000022153768 171360478 /nfs/dbraw/zinc/36/04/78/171360478.db2.gz KQLDBYCQWBVUEU-HNNXBMFYSA-N 0 0 281.355 4.128 10 0 CIAERN CCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000022335150 171385703 /nfs/dbraw/zinc/38/57/03/171385703.db2.gz KQLDUSCZMABOPD-GOSISDBHSA-N 0 0 299.801 4.224 10 0 CIAERN C[C@@H](NC(=O)CC(C)(C)C)c1ccc(-n2cccc2)cc1 ZINC000028304901 171556090 /nfs/dbraw/zinc/55/60/90/171556090.db2.gz BSGINMHLFCGOSB-CQSZACIVSA-N 0 0 284.403 4.091 10 0 CIAERN Fc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1F ZINC000028524918 171561823 /nfs/dbraw/zinc/56/18/23/171561823.db2.gz BQLJDTHXELWGPQ-UHFFFAOYSA-N 0 0 290.338 4.220 10 0 CIAERN c1cc2ncnc(N[C@@H]3CCCc4ccccc43)c2s1 ZINC000028624596 171567459 /nfs/dbraw/zinc/56/74/59/171567459.db2.gz JLFUXRYDGGGNBT-CYBMUJFWSA-N 0 0 281.384 4.181 10 0 CIAERN Cc1cc(/C=C/c2c(F)cccc2F)cc(C)c1O ZINC000029552829 171603168 /nfs/dbraw/zinc/60/31/68/171603168.db2.gz ZRVKPJCRRHYVKB-VOTSOKGWSA-N 0 0 260.283 4.458 10 0 CIAERN Clc1cc2nc(Cc3ccccc3)[nH]c2cc1Cl ZINC000031943975 171665901 /nfs/dbraw/zinc/66/59/01/171665901.db2.gz QDHPKBOOEJUPNL-UHFFFAOYSA-N 0 0 277.154 4.461 10 0 CIAERN C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)s1 ZINC000032037758 171688577 /nfs/dbraw/zinc/68/85/77/171688577.db2.gz ONBVCOCLVIKZFW-ZCFIWIBFSA-N 0 0 290.171 4.139 10 0 CIAERN Nc1nc2ccc(Cl)cc2cc1-c1ccccc1 ZINC000032099302 171696571 /nfs/dbraw/zinc/69/65/71/171696571.db2.gz JHQLHMAFAGUIBX-UHFFFAOYSA-N 0 0 254.720 4.137 10 0 CIAERN Nc1ccccc1OCCOc1ccc(Cl)c(Cl)c1 ZINC000032179999 171720007 /nfs/dbraw/zinc/72/00/07/171720007.db2.gz DGOURMUPZAQHMA-UHFFFAOYSA-N 0 0 298.169 4.033 10 0 CIAERN Cc1cccc(Cn2c3ccccc3[nH]c2=S)c1 ZINC000032664161 171743455 /nfs/dbraw/zinc/74/34/55/171743455.db2.gz JEBWEAIPMVQCIG-UHFFFAOYSA-N 0 0 254.358 4.056 10 0 CIAERN COc1cc(N)c(Cl)cc1-c1nc2ccccc2s1 ZINC000033503370 171808303 /nfs/dbraw/zinc/80/83/03/171808303.db2.gz UFYQQTHUOKAWND-UHFFFAOYSA-N 0 0 290.775 4.208 10 0 CIAERN CCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000034017991 171829313 /nfs/dbraw/zinc/82/93/13/171829313.db2.gz JMYISEMZJYEMCF-AWEZNQCLSA-N 0 0 262.393 4.332 10 0 CIAERN CC1(C)CC(C)(C)CC(O)(c2ccc(F)cc2)C1 ZINC000034335860 171837053 /nfs/dbraw/zinc/83/70/53/171837053.db2.gz QGQIYFZQEUZNOF-UHFFFAOYSA-N 0 0 250.357 4.250 10 0 CIAERN COc1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000034499082 171841813 /nfs/dbraw/zinc/84/18/13/171841813.db2.gz HNSGVPAAXJJOPQ-IAOVAPTHSA-N 0 0 289.419 4.342 10 0 CIAERN FC(F)(F)c1ccc(-c2nc(Cl)cc(Cl)n2)cc1 ZINC000034567328 171844667 /nfs/dbraw/zinc/84/46/67/171844667.db2.gz PETYXUFFXBPSRI-UHFFFAOYSA-N 0 0 293.075 4.469 10 0 CIAERN Clc1ccc(-c2nc(Cl)cc(Cl)n2)s1 ZINC000034607639 171845892 /nfs/dbraw/zinc/84/58/92/171845892.db2.gz BUHJFCDAYFSQCB-UHFFFAOYSA-N 0 0 265.552 4.165 10 0 CIAERN Cc1cc(C)c(-c2csc(Br)n2)c(C)c1 ZINC000034729223 171864486 /nfs/dbraw/zinc/86/44/86/171864486.db2.gz WQUSTDDCQWKTPW-UHFFFAOYSA-N 0 0 282.206 4.498 10 0 CIAERN FC(F)(F)c1cccc(Cl)c1NCc1ccncc1 ZINC000034956974 171902538 /nfs/dbraw/zinc/90/25/38/171902538.db2.gz WKRCBQRGBHEHNF-UHFFFAOYSA-N 0 0 286.684 4.366 10 0 CIAERN Cc1c(O)cccc1OCc1ccc(Br)s1 ZINC000034962317 171906249 /nfs/dbraw/zinc/90/62/49/171906249.db2.gz GRBDLNXSRTUSGA-UHFFFAOYSA-N 0 0 299.189 4.104 10 0 CIAERN CCc1ccc(C(=O)c2c(F)cccc2Cl)s1 ZINC000034976835 171910852 /nfs/dbraw/zinc/91/08/52/171910852.db2.gz PCDJZVXQKNCPRH-UHFFFAOYSA-N 0 0 268.740 4.334 10 0 CIAERN COc1ccc(C(C)=O)cc1COc1c(C)cccc1C ZINC000034979122 171911430 /nfs/dbraw/zinc/91/14/30/171911430.db2.gz FBDNRUVCQBECIR-UHFFFAOYSA-N 0 0 284.355 4.094 10 0 CIAERN Cc1cc(N)ccc1Nc1ccc(F)c(Cl)c1 ZINC000034978395 171911593 /nfs/dbraw/zinc/91/15/93/171911593.db2.gz KUTPLRYEKXDDCX-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1cc(C)c(C(=O)CSC(C)(C)C)c(C)c1 ZINC000034980980 171913315 /nfs/dbraw/zinc/91/33/15/171913315.db2.gz WWMPEFPMLBQKBA-UHFFFAOYSA-N 0 0 250.407 4.326 10 0 CIAERN CC(C)OC(=O)c1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000035019396 171937679 /nfs/dbraw/zinc/93/76/79/171937679.db2.gz HQWSEKLJYOVQFQ-CQSZACIVSA-N 0 0 283.371 4.425 10 0 CIAERN COC(=O)c1ccc(Cl)cc1NCC1CCCCC1 ZINC000035036422 171942562 /nfs/dbraw/zinc/94/25/62/171942562.db2.gz RNCCLNHWSDDGND-UHFFFAOYSA-N 0 0 281.783 4.119 10 0 CIAERN COc1ccccc1CNc1cc(Cl)ccc1N(C)C ZINC000035045778 171949180 /nfs/dbraw/zinc/94/91/80/171949180.db2.gz MJFKDVYABLFZRS-UHFFFAOYSA-N 0 0 290.794 4.027 10 0 CIAERN Cc1c(N)cccc1OCc1ccc(Cl)c(Cl)c1 ZINC000035056445 171959368 /nfs/dbraw/zinc/95/93/68/171959368.db2.gz DTHLEQBOHJTNDJ-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN CC(=O)c1cc(C)ccc1OCc1ccc(C)cc1 ZINC000035100166 171977868 /nfs/dbraw/zinc/97/78/68/171977868.db2.gz QYBTUALMNOKMMZ-UHFFFAOYSA-N 0 0 254.329 4.085 10 0 CIAERN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1C ZINC000035134582 172001126 /nfs/dbraw/zinc/00/11/26/172001126.db2.gz HRDMWODYRFPMMK-UHFFFAOYSA-N 0 0 264.328 4.037 10 0 CIAERN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1Cl ZINC000035134601 172001455 /nfs/dbraw/zinc/00/14/55/172001455.db2.gz DMNNTGMOAFNPIU-UHFFFAOYSA-N 0 0 284.746 4.382 10 0 CIAERN CCCc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 ZINC000035134710 172001735 /nfs/dbraw/zinc/00/17/35/172001735.db2.gz SRWAKOHWBLGRGK-UHFFFAOYSA-N 0 0 278.355 4.373 10 0 CIAERN FC(F)(F)c1cc(NC[C@@H]2CCCCO2)ccc1Cl ZINC000035150828 172013709 /nfs/dbraw/zinc/01/37/09/172013709.db2.gz ANUAFRXMBKFNHI-JTQLQIEISA-N 0 0 293.716 4.340 10 0 CIAERN CCC(C)(C)c1ccc(OCc2nnsc2Cl)cc1 ZINC000035163588 172024431 /nfs/dbraw/zinc/02/44/31/172024431.db2.gz LCYJNXULZGTJNS-UHFFFAOYSA-N 0 0 296.823 4.458 10 0 CIAERN CC[C@H](C)c1ccccc1OCc1nnsc1Cl ZINC000035163639 172024923 /nfs/dbraw/zinc/02/49/23/172024923.db2.gz UFUPDXHIDAUZCZ-VIFPVBQESA-N 0 0 282.796 4.284 10 0 CIAERN COc1ccc(C)cc1CNc1cc(C)ccc1C ZINC000035164724 172026377 /nfs/dbraw/zinc/02/63/77/172026377.db2.gz AXCMIYVMUBHGMI-UHFFFAOYSA-N 0 0 255.361 4.233 10 0 CIAERN COc1ccc(Cl)cc1CNc1cc(F)ccc1C ZINC000035180055 172033612 /nfs/dbraw/zinc/03/36/12/172033612.db2.gz HJYPTXWAZFTPNR-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN Cc1ccc(OCC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000035181828 172035381 /nfs/dbraw/zinc/03/53/81/172035381.db2.gz BGRAYGPLWFXJRN-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN CC(C)c1cccc(OCC(=O)c2ccccc2)c1 ZINC000035182036 172035393 /nfs/dbraw/zinc/03/53/93/172035393.db2.gz RRRBKMFVAADIGI-UHFFFAOYSA-N 0 0 254.329 4.072 10 0 CIAERN Cc1cc(OCC(=O)c2ccccc2)ccc1C(C)C ZINC000035182079 172035406 /nfs/dbraw/zinc/03/54/06/172035406.db2.gz USGBVMUCASJDNT-UHFFFAOYSA-N 0 0 268.356 4.380 10 0 CIAERN Cc1ccc(OCC(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000035181781 172035739 /nfs/dbraw/zinc/03/57/39/172035739.db2.gz UOUDKIHRGUXBCM-UHFFFAOYSA-N 0 0 282.383 4.490 10 0 CIAERN Cc1ccc(OCC(=O)c2ccccc2Cl)cc1C ZINC000035182309 172035905 /nfs/dbraw/zinc/03/59/05/172035905.db2.gz JRKSQNVFKLLSPX-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN Cc1ccc(C)c(O[C@H](C)C(=O)c2ccc(F)cc2)c1 ZINC000035182276 172035930 /nfs/dbraw/zinc/03/59/30/172035930.db2.gz KPFOOJKPOUSCJQ-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN Cc1cc(C)cc(O[C@@H](C)C(=O)c2ccc(F)cc2)c1 ZINC000035182392 172036123 /nfs/dbraw/zinc/03/61/23/172036123.db2.gz VJPDGJLMSCGOCF-ZDUSSCGKSA-N 0 0 272.319 4.093 10 0 CIAERN Cc1cc(C)cc(OCC(=O)c2cc3ccccc3o2)c1 ZINC000035182400 172036265 /nfs/dbraw/zinc/03/62/65/172036265.db2.gz SFVHWYRBKXVBDK-UHFFFAOYSA-N 0 0 280.323 4.311 10 0 CIAERN CCCc1ccc(C(=O)CSCC(C)C)cc1 ZINC000035182929 172036751 /nfs/dbraw/zinc/03/67/51/172036751.db2.gz ILZUDPQIXCSPFF-UHFFFAOYSA-N 0 0 250.407 4.211 10 0 CIAERN Cc1cccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC000035183708 172036785 /nfs/dbraw/zinc/03/67/85/172036785.db2.gz CJDFHCAKQJKXDO-LBPRGKRZSA-N 0 0 274.747 4.299 10 0 CIAERN CCc1ccc(O[C@@H](C)C(=O)c2ccc(F)cc2)cc1 ZINC000035182902 172036948 /nfs/dbraw/zinc/03/69/48/172036948.db2.gz OQECDEYGHYFKNJ-LBPRGKRZSA-N 0 0 272.319 4.038 10 0 CIAERN C[C@@H](Oc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000035183838 172037535 /nfs/dbraw/zinc/03/75/35/172037535.db2.gz OURDPOHFPSFLJR-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN COc1ccc(C(C)=O)cc1CSc1ccccc1 ZINC000035183988 172037585 /nfs/dbraw/zinc/03/75/85/172037585.db2.gz JBSISXWGOUZAKP-UHFFFAOYSA-N 0 0 272.369 4.190 10 0 CIAERN O=C(COc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035183870 172037589 /nfs/dbraw/zinc/03/75/89/172037589.db2.gz VYNSHXGJVXKVLY-UHFFFAOYSA-N 0 0 299.128 4.394 10 0 CIAERN C[C@H](Oc1cccc(F)c1)C(=O)c1ccc(Cl)cc1 ZINC000035184088 172037648 /nfs/dbraw/zinc/03/76/48/172037648.db2.gz XYWGVRKXKSDFMJ-JTQLQIEISA-N 0 0 278.710 4.129 10 0 CIAERN CC(C)(C)c1cccc(OCC(=O)c2ccccc2)c1 ZINC000035184387 172038199 /nfs/dbraw/zinc/03/81/99/172038199.db2.gz CURKBDRMYAFHJD-UHFFFAOYSA-N 0 0 268.356 4.246 10 0 CIAERN O=C(/C=C\c1ccc(Cl)cc1Cl)NC1CCCCC1 ZINC000035238740 172077524 /nfs/dbraw/zinc/07/75/24/172077524.db2.gz GJEYEMPVNSAIQU-CLFYSBASSA-N 0 0 298.213 4.456 10 0 CIAERN Cc1cc(Sc2ccc(F)cc2F)ccc1N ZINC000035278653 172097212 /nfs/dbraw/zinc/09/72/12/172097212.db2.gz MQMUPCZFKNVXTD-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN Cc1ccc(CNc2cc(Cl)ccc2F)s1 ZINC000035284061 172101819 /nfs/dbraw/zinc/10/18/19/172101819.db2.gz ZIQYBKHOUODHDW-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN Cc1ccc(Nc2cc(Cl)ccc2F)c(N)c1 ZINC000035284500 172102931 /nfs/dbraw/zinc/10/29/31/172102931.db2.gz USEJVTMUJONHFR-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN COC(=O)c1cccc(N[C@H](C)c2ccc(Cl)s2)c1 ZINC000035286399 172104187 /nfs/dbraw/zinc/10/41/87/172104187.db2.gz NGVGQVIVPRYJJI-SECBINFHSA-N 0 0 295.791 4.361 10 0 CIAERN COC(=O)c1cccc(N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000035286398 172104358 /nfs/dbraw/zinc/10/43/58/172104358.db2.gz NGVGQVIVPRYJJI-VIFPVBQESA-N 0 0 295.791 4.361 10 0 CIAERN Nc1ccc(Oc2cccc(Cl)c2)c2ncccc12 ZINC000035342211 172134393 /nfs/dbraw/zinc/13/43/93/172134393.db2.gz BKKWZLKACAKYAB-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Cc1nc2cc(Sc3ccccc3F)c(N)cc2s1 ZINC000035343039 172135428 /nfs/dbraw/zinc/13/54/28/172135428.db2.gz GKJPKJZDGCMHCF-UHFFFAOYSA-N 0 0 290.388 4.477 10 0 CIAERN CCc1cccc2c(C(=O)c3sccc3C)c[nH]c21 ZINC000035369155 172160954 /nfs/dbraw/zinc/16/09/54/172160954.db2.gz KKZVYHXWTIYGPM-UHFFFAOYSA-N 0 0 269.369 4.331 10 0 CIAERN Cc1ccc(C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000035369128 172161129 /nfs/dbraw/zinc/16/11/29/172161129.db2.gz RBIFXLBHXBYALS-UHFFFAOYSA-N 0 0 255.342 4.077 10 0 CIAERN Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000035434515 172202723 /nfs/dbraw/zinc/20/27/23/172202723.db2.gz MWCLFSIGKYEDNW-OFQRWUPVSA-N 0 0 291.460 4.171 10 0 CIAERN CN[C@@H](c1c(C)c(C)c(C)c(C)c1C)C(F)(F)F ZINC000035467635 172215712 /nfs/dbraw/zinc/21/57/12/172215712.db2.gz MQDFZSVGQOBWJY-ZDUSSCGKSA-N 0 0 259.315 4.052 10 0 CIAERN CN[C@H](c1c(C)c(C)c(C)c(C)c1C)C(F)(F)F ZINC000035467636 172216305 /nfs/dbraw/zinc/21/63/05/172216305.db2.gz MQDFZSVGQOBWJY-CYBMUJFWSA-N 0 0 259.315 4.052 10 0 CIAERN CN[C@@H](c1c(C)cc(C)cc1C)C(F)(F)C(F)(F)F ZINC000035492275 172226900 /nfs/dbraw/zinc/22/69/00/172226900.db2.gz QOBOLWGACDEQIL-NSHDSACASA-N 0 0 281.268 4.070 10 0 CIAERN CCCCc1ccc([C@H](NCC)C(F)(F)F)cc1 ZINC000035548036 172255783 /nfs/dbraw/zinc/25/57/83/172255783.db2.gz ICXGZIVRXJJPAS-ZDUSSCGKSA-N 0 0 259.315 4.242 10 0 CIAERN O=C(NC1CCCCC1)c1cccc(-c2ccccc2)c1 ZINC000035552159 172259047 /nfs/dbraw/zinc/25/90/47/172259047.db2.gz KEOHMWPUIIXQGG-UHFFFAOYSA-N 0 0 279.383 4.416 10 0 CIAERN CCN[C@H](c1ccc(Cl)s1)c1c(F)cccc1F ZINC000035553296 172259767 /nfs/dbraw/zinc/25/97/67/172259767.db2.gz JOKLSBCUPVKHHR-CYBMUJFWSA-N 0 0 287.762 4.379 10 0 CIAERN CCN[C@H](c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000035558713 172264444 /nfs/dbraw/zinc/26/44/44/172264444.db2.gz PZPGKZCKKDHOPI-SECBINFHSA-N 0 0 272.097 4.206 10 0 CIAERN Cc1c(N)cccc1-c1ccc(C(F)(F)F)cc1 ZINC000035570368 172266180 /nfs/dbraw/zinc/26/61/80/172266180.db2.gz FXJOWVORINHRAB-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN CCCN[C@@H](c1ccc(CC(C)C)cc1)C(F)(F)F ZINC000035573315 172270132 /nfs/dbraw/zinc/27/01/32/172270132.db2.gz CQMJOTLRAFYFCY-AWEZNQCLSA-N 0 0 273.342 4.488 10 0 CIAERN CCCN[C@H](c1ccc(C)cc1)C(F)(F)C(F)(F)F ZINC000035576852 172273834 /nfs/dbraw/zinc/27/38/34/172273834.db2.gz CYPXEBJXLNGYSV-LLVKDONJSA-N 0 0 281.268 4.233 10 0 CIAERN CCCN[C@H](c1ccc(CCC)cc1)C(F)(F)F ZINC000035582809 172280757 /nfs/dbraw/zinc/28/07/57/172280757.db2.gz MFSLSAZTZNUQRB-CYBMUJFWSA-N 0 0 259.315 4.242 10 0 CIAERN C[C@@H](O)c1ccccc1OCc1cccc(C(F)(F)F)c1 ZINC000035626768 172305656 /nfs/dbraw/zinc/30/56/56/172305656.db2.gz CRBMXGHORHNOQO-LLVKDONJSA-N 0 0 296.288 4.338 10 0 CIAERN C[C@@H](O)c1cccc(OCc2ccc(Cl)s2)c1 ZINC000035627800 172306789 /nfs/dbraw/zinc/30/67/89/172306789.db2.gz TXRWLZUUIJCDIK-SECBINFHSA-N 0 0 268.765 4.034 10 0 CIAERN C[C@H](O)c1ccc2ccccc2c1OC/C=C/Cl ZINC000035628067 172307003 /nfs/dbraw/zinc/30/70/03/172307003.db2.gz JKFGRMMUTJTIFT-VKJYCEFSSA-N 0 0 262.736 4.024 10 0 CIAERN Cc1ccc(C(=O)c2oc3ccc(C)cc3c2C)o1 ZINC000035630478 172311250 /nfs/dbraw/zinc/31/12/50/172311250.db2.gz GERCUYKBVWLHPO-UHFFFAOYSA-N 0 0 254.285 4.182 10 0 CIAERN CCOc1ccc(Oc2cccc(F)c2[C@@H](C)O)cc1 ZINC000035632060 172314256 /nfs/dbraw/zinc/31/42/56/172314256.db2.gz HTKKTUSZSUFYBU-LLVKDONJSA-N 0 0 276.307 4.070 10 0 CIAERN C[C@H](O)c1ccc(Oc2ccccc2Br)cc1 ZINC000035631888 172314338 /nfs/dbraw/zinc/31/43/38/172314338.db2.gz GERIUAIIHBIHEQ-JTQLQIEISA-N 0 0 293.160 4.295 10 0 CIAERN O=Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O ZINC000035636713 172320952 /nfs/dbraw/zinc/32/09/52/172320952.db2.gz AZKNHPGTHFOACE-UHFFFAOYSA-N 0 0 298.729 4.150 10 0 in-vitro CIAERN Cc1ccc(SCc2cccc(N)c2C)c(C)c1 ZINC000035649519 172326300 /nfs/dbraw/zinc/32/63/00/172326300.db2.gz FWFBLIQGSAYLGN-UHFFFAOYSA-N 0 0 257.402 4.486 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccccc1[C@@H](C)O ZINC000035650709 172326805 /nfs/dbraw/zinc/32/68/05/172326805.db2.gz UQBMQAZEZUZNBW-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN Cc1ccc(NC2Cc3ccccc3C2)c(Cl)c1 ZINC000035658104 172333259 /nfs/dbraw/zinc/33/32/59/172333259.db2.gz XTVJVDNGMIUXRA-UHFFFAOYSA-N 0 0 257.764 4.228 10 0 CIAERN OCc1cc(Cl)cc(Cl)c1OC1CCCCC1 ZINC000035662629 172340453 /nfs/dbraw/zinc/34/04/53/172340453.db2.gz KVXHCWLPNIBITG-UHFFFAOYSA-N 0 0 275.175 4.197 10 0 CIAERN C[C@H](Nc1c(N)cccc1Cl)c1cccs1 ZINC000035736754 172389765 /nfs/dbraw/zinc/38/97/65/172389765.db2.gz MPBCNUDYFGXZSX-QMMMGPOBSA-N 0 0 252.770 4.157 10 0 CIAERN C[C@@H](c1cccs1)n1c(=S)[nH]c2ccccc21 ZINC000035737216 172390295 /nfs/dbraw/zinc/39/02/95/172390295.db2.gz IUKCAEAKRXCMJZ-VIFPVBQESA-N 0 0 260.387 4.370 10 0 CIAERN CCCc1nc2sc3c(c2c(Cl)n1)CCCC3 ZINC000035847961 172424307 /nfs/dbraw/zinc/42/43/07/172424307.db2.gz KDBKKWAHIADRGH-UHFFFAOYSA-N 0 0 266.797 4.176 10 0 CIAERN CC[C@H]1c2ccc(C)cc2CCN1C(=O)c1ccccc1F ZINC000036113992 172444200 /nfs/dbraw/zinc/44/42/00/172444200.db2.gz OGLSOCVRJYPXCF-SFHVURJKSA-N 0 0 297.373 4.284 10 0 CIAERN Cc1cc(Nc2ccc(Cl)cc2Cl)ncc1N ZINC000036251378 172545414 /nfs/dbraw/zinc/54/54/14/172545414.db2.gz WHCBMQRVSJNTLB-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN Clc1cc(Cl)c(NC2CCOCC2)cc1Cl ZINC000036303869 172597793 /nfs/dbraw/zinc/59/77/93/172597793.db2.gz KMMCWBTYYYTFIN-UHFFFAOYSA-N 0 0 280.582 4.238 10 0 CIAERN O=C(c1ccc(-c2cc(F)ccc2F)s1)C1CC1 ZINC000036666748 172646058 /nfs/dbraw/zinc/64/60/58/172646058.db2.gz FYWLJXGBGGQUMQ-UHFFFAOYSA-N 0 0 264.296 4.286 10 0 CIAERN Cc1cc(Br)ccc1Nc1cccc(N)c1 ZINC000036720381 172657600 /nfs/dbraw/zinc/65/76/00/172657600.db2.gz NLXBUTJFEVCVAN-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN CC(C)(C)CC(C)(C)c1ccc2c(c1)C(=O)CCO2 ZINC000036928549 172810881 /nfs/dbraw/zinc/81/08/81/172810881.db2.gz XGGYWQOZTFYXLQ-UHFFFAOYSA-N 0 0 260.377 4.366 10 0 CIAERN CC(C)c1nn(C)c(N)c1-c1ccc(Cl)cc1Cl ZINC000036937856 172815668 /nfs/dbraw/zinc/81/56/68/172815668.db2.gz RNVHUIHSENYWGX-UHFFFAOYSA-N 0 0 284.190 4.100 10 0 CIAERN CCC[C@H](C)CNc1ccc(OCC(F)(F)F)cc1 ZINC000036972499 172839632 /nfs/dbraw/zinc/83/96/32/172839632.db2.gz FJZVOVKGKGNFGN-NSHDSACASA-N 0 0 275.314 4.476 10 0 CIAERN Nc1ccccc1SCCSc1ccc(F)cc1 ZINC000037035137 172902463 /nfs/dbraw/zinc/90/24/63/172902463.db2.gz ULFMFNIJIJNWPH-UHFFFAOYSA-N 0 0 279.405 4.292 10 0 CIAERN CC[C@@H](Nc1cccc(CO)c1)c1ccc(C)cc1 ZINC000037048637 172914997 /nfs/dbraw/zinc/91/49/97/172914997.db2.gz AGRKYEYCCHRABO-QGZVFWFLSA-N 0 0 255.361 4.051 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1ccccc1OC(C)C ZINC000037125948 172972399 /nfs/dbraw/zinc/97/23/99/172972399.db2.gz ZSLGNGFWOXOCIQ-CYBMUJFWSA-N 0 0 265.397 4.089 10 0 CIAERN Cc1nc([C@H](C)Nc2cc(Cl)ccc2N(C)C)cs1 ZINC000037129541 172973801 /nfs/dbraw/zinc/97/38/01/172973801.db2.gz LQLGRTODUACMBS-VIFPVBQESA-N 0 0 295.839 4.344 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cc(Cl)ccc2N(C)C)o1 ZINC000037129501 172973929 /nfs/dbraw/zinc/97/39/29/172973929.db2.gz QBMPONUESLSQJD-LLVKDONJSA-N 0 0 278.783 4.481 10 0 CIAERN CC(C)(C)c1nc(CSc2ccc(N)cc2)cs1 ZINC000037181709 173013422 /nfs/dbraw/zinc/01/34/22/173013422.db2.gz KEXCKZXSYPZRSM-UHFFFAOYSA-N 0 0 278.446 4.315 10 0 CIAERN COc1ccc(Cl)cc1CSc1ccc(N)cc1 ZINC000037181985 173014362 /nfs/dbraw/zinc/01/43/62/173014362.db2.gz BZVIWBTUNYDLFZ-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN Nc1ccc(SCc2cccc3cccnc32)cc1 ZINC000037182452 173014464 /nfs/dbraw/zinc/01/44/64/173014464.db2.gz AMRGGCINQTWURK-UHFFFAOYSA-N 0 0 266.369 4.109 10 0 CIAERN Cc1cccc(N[C@H](C)c2c(C)cc(C)nc2C)c1 ZINC000037185429 173016534 /nfs/dbraw/zinc/01/65/34/173016534.db2.gz AJYUPLCTFUEAOI-OAHLLOKOSA-N 0 0 254.377 4.488 10 0 CIAERN Clc1ccc([C@@H](NCc2ccco2)c2ccco2)s1 ZINC000037184271 173016895 /nfs/dbraw/zinc/01/68/95/173016895.db2.gz VIPUGFRYIGMYKG-AWEZNQCLSA-N 0 0 293.775 4.467 10 0 CIAERN Nc1ccc(SC/C=C/c2ccccc2)c(F)c1 ZINC000037194608 173023984 /nfs/dbraw/zinc/02/39/84/173023984.db2.gz DWRRGILHHMIZST-QPJJXVBHSA-N 0 0 259.349 4.213 10 0 CIAERN COc1ccccc1CSc1c(N)cccc1Cl ZINC000037204124 173026494 /nfs/dbraw/zinc/02/64/94/173026494.db2.gz XCYIJXGRPKYWIC-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN COc1ccccc1Nc1nc2cc(C)ccc2s1 ZINC000037206277 173027163 /nfs/dbraw/zinc/02/71/63/173027163.db2.gz GSVKBRJVWUVVBE-UHFFFAOYSA-N 0 0 270.357 4.357 10 0 CIAERN COc1cccc(Nc2nc3cc(F)ccc3s2)c1 ZINC000037206757 173027798 /nfs/dbraw/zinc/02/77/98/173027798.db2.gz WXLQPNSLHVJGDS-UHFFFAOYSA-N 0 0 274.320 4.188 10 0 CIAERN Cc1cc(Cl)ccc1NCc1cn(C)nc1C(C)C ZINC000037217258 173035590 /nfs/dbraw/zinc/03/55/90/173035590.db2.gz KZHQIZFILGWEJU-UHFFFAOYSA-N 0 0 277.799 4.117 10 0 CIAERN CCOc1ccc(Br)cc1C(=O)C(CC)CC ZINC000037225898 173045577 /nfs/dbraw/zinc/04/55/77/173045577.db2.gz ZTIIVAZFVZWMIP-UHFFFAOYSA-N 0 0 299.208 4.467 10 0 CIAERN Cc1cc(Oc2ccc(F)cc2CO)cc(C)c1Cl ZINC000037235427 173053571 /nfs/dbraw/zinc/05/35/71/173053571.db2.gz UYVCPEQILKRNMW-UHFFFAOYSA-N 0 0 280.726 4.381 10 0 CIAERN Cc1sc2ncnc(N[C@@H]3CCC[C@H](C)C3)c2c1C ZINC000037251560 173063818 /nfs/dbraw/zinc/06/38/18/173063818.db2.gz JTJLCRKFUCPDTL-JOYOIKCWSA-N 0 0 275.421 4.299 10 0 CIAERN CC(C)C[C@@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000037265118 173073788 /nfs/dbraw/zinc/07/37/88/173073788.db2.gz RIPQQFZEKTZCRN-ZCFIWIBFSA-N 0 0 267.241 4.229 10 0 CIAERN Fc1cc(N[C@H]2CCc3ccccc3C2)ccc1Cl ZINC000037300977 173106420 /nfs/dbraw/zinc/10/64/20/173106420.db2.gz QOXGMIANHYLLOF-ZDUSSCGKSA-N 0 0 275.754 4.449 10 0 CIAERN CC(C)c1cccc(NCc2ccc3c(c2)OCO3)c1 ZINC000037302131 173108096 /nfs/dbraw/zinc/10/80/96/173108096.db2.gz WUXHBQJYLOHABE-UHFFFAOYSA-N 0 0 269.344 4.151 10 0 CIAERN CCOC(=O)c1cccc(N[C@H](C)c2cccs2)c1 ZINC000037308144 173111290 /nfs/dbraw/zinc/11/12/90/173111290.db2.gz NDMSJTBJYFTOHX-LLVKDONJSA-N 0 0 275.373 4.098 10 0 CIAERN CCOC(=O)c1ccc(N[C@H](C)CCC(C)C)cc1 ZINC000037307745 173111317 /nfs/dbraw/zinc/11/13/17/173111317.db2.gz YHKCAZHLRIQVLT-CYBMUJFWSA-N 0 0 263.381 4.100 10 0 CIAERN CC(C)[C@H](Nc1ccc2cn[nH]c2c1)c1cccs1 ZINC000037317201 173117267 /nfs/dbraw/zinc/11/72/67/173117267.db2.gz BELHBBLUHOVOSF-HNNXBMFYSA-N 0 0 271.389 4.434 10 0 CIAERN Cc1cc(C)n([C@@H](C)C(=O)c2ccc(Cl)cc2Cl)n1 ZINC000037340734 173142260 /nfs/dbraw/zinc/14/22/60/173142260.db2.gz DWOOLRDPVOQBPK-JTQLQIEISA-N 0 0 297.185 4.251 10 0 CIAERN Nc1n[nH]c(-c2ccsc2)c1-c1c(F)cccc1Cl ZINC000037348485 173144162 /nfs/dbraw/zinc/14/41/62/173144162.db2.gz GPYFGTYCBSELRD-UHFFFAOYSA-N 0 0 293.754 4.180 10 0 CIAERN Cc1cccc(-c2noc(N)c2-c2ccc(F)cc2)c1 ZINC000037350384 173144456 /nfs/dbraw/zinc/14/44/56/173144456.db2.gz LYJYXELZDORPOU-UHFFFAOYSA-N 0 0 268.291 4.038 10 0 CIAERN CC(C)c1ccc(-c2c(N)onc2C(F)(F)F)cc1 ZINC000037351080 173144782 /nfs/dbraw/zinc/14/47/82/173144782.db2.gz NRRCIHPUPRFIHR-UHFFFAOYSA-N 0 0 270.254 4.066 10 0 CIAERN CC(C)c1ccc(-c2c(N)n[nH]c2C2CCC2)cc1 ZINC000037349604 173144785 /nfs/dbraw/zinc/14/47/85/173144785.db2.gz OOPDLVBBCDUJET-UHFFFAOYSA-N 0 0 255.365 4.050 10 0 CIAERN CC(C)c1noc(N)c1-c1cccc(C(F)(F)F)c1 ZINC000037350832 173144819 /nfs/dbraw/zinc/14/48/19/173144819.db2.gz OSATYDONYLTQQJ-UHFFFAOYSA-N 0 0 270.254 4.066 10 0 CIAERN Cc1cc(C)c(C(=O)c2ccc(F)cc2F)c(C)c1 ZINC000037354304 173146989 /nfs/dbraw/zinc/14/69/89/173146989.db2.gz SMXLUUPJFISBPJ-UHFFFAOYSA-N 0 0 260.283 4.121 10 0 CIAERN Cc1ccccc1C(=O)c1ccc(CC(C)C)cc1 ZINC000037357411 173147728 /nfs/dbraw/zinc/14/77/28/173147728.db2.gz ZRUNLSFDABQLNB-UHFFFAOYSA-N 0 0 252.357 4.425 10 0 CIAERN O=C(c1ccc2c(c1)CCC2)c1ccc(Cl)cc1F ZINC000037360239 173149988 /nfs/dbraw/zinc/14/99/88/173149988.db2.gz LKFVZCPMJUBXSP-UHFFFAOYSA-N 0 0 274.722 4.199 10 0 CIAERN COc1ccc(F)cc1C(=O)c1cc(Cl)ccc1Cl ZINC000037362386 173151780 /nfs/dbraw/zinc/15/17/80/173151780.db2.gz YDTWCZDREGIFCY-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN C[C@@H](Nc1nsnc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000037372234 173161635 /nfs/dbraw/zinc/16/16/35/173161635.db2.gz BAUMGLSETJQUFE-MTXFGMJDSA-N 0 0 297.855 4.208 10 0 CIAERN C[C@H](Nc1nsnc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000037372232 173161712 /nfs/dbraw/zinc/16/17/12/173161712.db2.gz BAUMGLSETJQUFE-PWFXGISBSA-N 0 0 297.855 4.208 10 0 CIAERN Cc1ccc(C)c(Oc2ccc(CO)cc2F)c1C ZINC000037382508 173168173 /nfs/dbraw/zinc/16/81/73/173168173.db2.gz PAYWGYCNVIZAIX-UHFFFAOYSA-N 0 0 260.308 4.036 10 0 CIAERN CC(C)(C)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 ZINC000037387797 173171674 /nfs/dbraw/zinc/17/16/74/173171674.db2.gz USRDCEWHCHXXDI-UHFFFAOYSA-N 0 0 278.355 4.091 10 0 CIAERN Cc1ccc(Oc2ccc(C(F)(F)F)cc2)c(N)c1 ZINC000037401630 173178229 /nfs/dbraw/zinc/17/82/29/173178229.db2.gz RDOATGKIJANPAA-UHFFFAOYSA-N 0 0 267.250 4.388 10 0 CIAERN Cc1ccc(Sc2ccc(F)c(F)c2)c(N)c1 ZINC000037401735 173178434 /nfs/dbraw/zinc/17/84/34/173178434.db2.gz JJRGTHSMRVOYKS-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN Cc1nn(C)c(Cl)c1COc1cccc(C(C)C)c1 ZINC000037408833 173185189 /nfs/dbraw/zinc/18/51/89/173185189.db2.gz MJBDPTDFUVSBGH-UHFFFAOYSA-N 0 0 278.783 4.084 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000037409174 173185729 /nfs/dbraw/zinc/18/57/29/173185729.db2.gz DUFONEDPTCJAET-MWLCHTKSSA-N 0 0 276.767 4.466 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000037409173 173186009 /nfs/dbraw/zinc/18/60/09/173186009.db2.gz DUFONEDPTCJAET-ONGXEEELSA-N 0 0 276.767 4.466 10 0 CIAERN CCN(CC(=O)c1cc(Cl)ccc1Cl)CC(C)C ZINC000037415092 173191974 /nfs/dbraw/zinc/19/19/74/173191974.db2.gz GKTORCVSFQIFTE-UHFFFAOYSA-N 0 0 288.218 4.154 10 0 CIAERN COc1cc(Cl)c(C)cc1Nc1cccc(F)c1N ZINC000037419340 173196711 /nfs/dbraw/zinc/19/67/11/173196711.db2.gz PYAZDOPWXIZYSI-UHFFFAOYSA-N 0 0 280.730 4.122 10 0 CIAERN Cc1ccc2c(c1)nc(-c1cccc(N)c1)n2C(C)C ZINC000037438422 173208786 /nfs/dbraw/zinc/20/87/86/173208786.db2.gz JIHSEOFUUTVCPH-UHFFFAOYSA-N 0 0 265.360 4.175 10 0 CIAERN CC(C)n1c2ccc(F)cc2nc1-c1cccc(N)c1 ZINC000037439654 173209425 /nfs/dbraw/zinc/20/94/25/173209425.db2.gz SUMQDKVIUGQMNY-UHFFFAOYSA-N 0 0 269.323 4.006 10 0 CIAERN CCCn1c2ccc(Cl)cc2nc1-c1ccc(N)cc1 ZINC000037440550 173210451 /nfs/dbraw/zinc/21/04/51/173210451.db2.gz TVDKLVFUSSJKDG-UHFFFAOYSA-N 0 0 285.778 4.349 10 0 CIAERN CCCc1cc(Cl)nc(-c2cccc(OCC)c2)n1 ZINC000037504368 173239718 /nfs/dbraw/zinc/23/97/18/173239718.db2.gz SLORDBJDXWQJPF-UHFFFAOYSA-N 0 0 276.767 4.148 10 0 CIAERN Cc1nn(C)c(Cl)c1CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000037515471 173246482 /nfs/dbraw/zinc/24/64/82/173246482.db2.gz QTRZSWXRADBABP-CMPLNLGQSA-N 0 0 284.831 4.113 10 0 CIAERN Cc1ccc([C@@](C)(O)Cc2ccccc2Cl)cc1 ZINC000037530517 173252717 /nfs/dbraw/zinc/25/27/17/173252717.db2.gz NSLBLTPWZXSQAU-INIZCTEOSA-N 0 0 260.764 4.099 10 0 CIAERN CCC1CCC(O)(Cc2ccccc2Br)CC1 ZINC000037529955 173252831 /nfs/dbraw/zinc/25/28/31/173252831.db2.gz QEUNDYYLDABQON-UHFFFAOYSA-N 0 0 297.236 4.323 10 0 CIAERN C[C@@](O)(Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000037530796 173252998 /nfs/dbraw/zinc/25/29/98/173252998.db2.gz YTMRHZSNNFJTLD-OAHLLOKOSA-N 0 0 281.182 4.444 10 0 CIAERN Cc1ccccc1C[C@@](C)(O)c1ccccc1Cl ZINC000037530875 173253315 /nfs/dbraw/zinc/25/33/15/173253315.db2.gz QKLCLIYNFXQXHW-MRXNPFEDSA-N 0 0 260.764 4.099 10 0 CIAERN Cc1cccc(C(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000037531872 173253499 /nfs/dbraw/zinc/25/34/99/173253499.db2.gz ZWMQIIOHWHQGJR-UHFFFAOYSA-N 0 0 264.246 4.245 10 0 CIAERN O=C(Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000037531888 173253500 /nfs/dbraw/zinc/25/35/00/173253500.db2.gz ZRYDEPNVZBYCBQ-UHFFFAOYSA-N 0 0 265.139 4.419 10 0 CIAERN Cc1ccccc1C[C@H](O)c1ccc(C(C)C)cc1 ZINC000037532416 173253710 /nfs/dbraw/zinc/25/37/10/173253710.db2.gz CLXDGCZABRPPIM-SFHVURJKSA-N 0 0 254.373 4.395 10 0 CIAERN O[C@H](Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037532460 173253891 /nfs/dbraw/zinc/25/38/91/173253891.db2.gz LICPXVGRBHXOOD-CQSZACIVSA-N 0 0 267.155 4.270 10 0 CIAERN CCC[C@H](Nc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000037560203 173270586 /nfs/dbraw/zinc/27/05/86/173270586.db2.gz CVYCTVGUGXHCGP-ZDUSSCGKSA-N 0 0 263.772 4.027 10 0 CIAERN CCCCC[C@H](Nc1ccn(C)n1)c1ccccc1 ZINC000037560727 173271180 /nfs/dbraw/zinc/27/11/80/173271180.db2.gz NBBBJAGMRSHXJC-HNNXBMFYSA-N 0 0 257.381 4.154 10 0 CIAERN COc1ccc(C(=O)[C@@H](C)Sc2ccccc2C)cc1 ZINC000037666175 173610017 /nfs/dbraw/zinc/61/00/17/173610017.db2.gz HDTRGBZSJGZCIL-CYBMUJFWSA-N 0 0 286.396 4.367 10 0 CIAERN C[C@](O)(c1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000037735287 173654988 /nfs/dbraw/zinc/65/49/88/173654988.db2.gz SGYNVTRILJXLKX-AWEZNQCLSA-N 0 0 285.145 4.388 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(N)cc2C(F)(F)F)C1 ZINC000037754540 173678272 /nfs/dbraw/zinc/67/82/72/173678272.db2.gz JZVZDERXWAQSEA-MWLCHTKSSA-N 0 0 272.314 4.278 10 0 CIAERN Clc1nc2ccccc2cc1COC1CCCC1 ZINC000037758363 173682481 /nfs/dbraw/zinc/68/24/81/173682481.db2.gz ZXMTVSFAVCYLLW-UHFFFAOYSA-N 0 0 261.752 4.347 10 0 CIAERN CCC[C@@H](C)Nc1cc(Cl)ccc1-n1cccn1 ZINC000037774439 173707135 /nfs/dbraw/zinc/70/71/35/173707135.db2.gz GWTCWALZDNVBKU-LLVKDONJSA-N 0 0 263.772 4.126 10 0 CIAERN CCCC[C@@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000037776597 173707882 /nfs/dbraw/zinc/70/78/82/173707882.db2.gz YQICJGHNNUGFBE-SECBINFHSA-N 0 0 261.287 4.418 10 0 CIAERN CCCOc1ccc(Cl)cc1NCCCSC ZINC000037777884 173709150 /nfs/dbraw/zinc/70/91/50/173709150.db2.gz CWYJLXSJPOAVDB-UHFFFAOYSA-N 0 0 273.829 4.294 10 0 CIAERN CCCCC[C@H](C)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000037778932 173709439 /nfs/dbraw/zinc/70/94/39/173709439.db2.gz WYOQNHQCQVVFFS-NSHDSACASA-N 0 0 282.815 4.080 10 0 CIAERN Clc1ccc(Oc2ccc3ccccc3c2)nn1 ZINC000037977903 173934532 /nfs/dbraw/zinc/93/45/32/173934532.db2.gz FGDSBPPEBXZROX-UHFFFAOYSA-N 0 0 256.692 4.076 10 0 CIAERN CCCOc1cccc(CNc2ccc(F)cc2F)c1 ZINC000038038257 174038633 /nfs/dbraw/zinc/03/86/33/174038633.db2.gz HYEFTJLGFFUQNG-UHFFFAOYSA-N 0 0 277.314 4.366 10 0 CIAERN Cc1ccc(Cl)c(Oc2c(F)cc(N)cc2F)c1 ZINC000038040376 174040227 /nfs/dbraw/zinc/04/02/27/174040227.db2.gz SAZWAJYUVPBSKV-UHFFFAOYSA-N 0 0 269.678 4.301 10 0 CIAERN Nc1cc(F)c(O[C@H]2CCCc3ccccc32)c(F)c1 ZINC000038040317 174040544 /nfs/dbraw/zinc/04/05/44/174040544.db2.gz DNRBVEHRLHDJQC-HNNXBMFYSA-N 0 0 275.298 4.003 10 0 CIAERN CC1(C)Cc2cccc(Oc3c(F)cc(N)cc3F)c2O1 ZINC000038040259 174040573 /nfs/dbraw/zinc/04/05/73/174040573.db2.gz ZQOAOPDZWWKUAT-UHFFFAOYSA-N 0 0 291.297 4.053 10 0 CIAERN COc1ccc(N)cc1COc1cc(C(C)C)ccc1C ZINC000038052932 174064766 /nfs/dbraw/zinc/06/47/66/174064766.db2.gz OFEBXLRJTSJUAF-UHFFFAOYSA-N 0 0 285.387 4.288 10 0 CIAERN Clc1ccccc1COc1cccc2c1NCCC2 ZINC000038056300 174067537 /nfs/dbraw/zinc/06/75/37/174067537.db2.gz PFASDYBIWRPKPW-UHFFFAOYSA-N 0 0 273.763 4.277 10 0 CIAERN Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1N ZINC000038069254 174081039 /nfs/dbraw/zinc/08/10/39/174081039.db2.gz WYNUIPBYSTYTKP-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN CC(C)Oc1ccc(-c2ccc(C=O)c(F)c2)cc1 ZINC000038071911 174082721 /nfs/dbraw/zinc/08/27/21/174082721.db2.gz RJNWDXUEHLVWKT-UHFFFAOYSA-N 0 0 258.292 4.092 10 0 CIAERN CCC(=O)c1cccc(-c2ccc(OC)cc2C)c1 ZINC000038071789 174082807 /nfs/dbraw/zinc/08/28/07/174082807.db2.gz XUKRBPPEIWJFEA-UHFFFAOYSA-N 0 0 254.329 4.263 10 0 CIAERN COc1ccc(-c2cccc(C(C)=O)c2)cc1Cl ZINC000038071881 174082888 /nfs/dbraw/zinc/08/28/88/174082888.db2.gz UEROZZCDLUIIEH-UHFFFAOYSA-N 0 0 260.720 4.218 10 0 CIAERN CC(=O)c1ccccc1-c1ccc(OC(C)C)cc1 ZINC000038071912 174082936 /nfs/dbraw/zinc/08/29/36/174082936.db2.gz KHECBWGAGRFQLI-UHFFFAOYSA-N 0 0 254.329 4.343 10 0 CIAERN Cc1cc(C)cc(CC(=O)c2ccc(F)c(F)c2)c1 ZINC000038077169 174087422 /nfs/dbraw/zinc/08/74/22/174087422.db2.gz XBQNSQPLZFLJOL-UHFFFAOYSA-N 0 0 260.283 4.007 10 0 CIAERN Cc1cc(C)cc(C[C@H](O)c2cccc(Cl)c2)c1 ZINC000038077214 174087695 /nfs/dbraw/zinc/08/76/95/174087695.db2.gz NKLJSFSBLVZRLF-INIZCTEOSA-N 0 0 260.764 4.233 10 0 CIAERN O[C@@]1(c2ccccc2Cl)CCCCc2ccccc21 ZINC000038078269 174088125 /nfs/dbraw/zinc/08/81/25/174088125.db2.gz JYPOGMIYYYAMSX-KRWDZBQOSA-N 0 0 272.775 4.302 10 0 CIAERN Cc1cc(Oc2ccc(Cl)nn2)cc(C)c1Cl ZINC000038082411 174091320 /nfs/dbraw/zinc/09/13/20/174091320.db2.gz AXQKWJNEQAWGEK-UHFFFAOYSA-N 0 0 269.131 4.193 10 0 CIAERN Cc1ccc([C@@H](C)Nc2nccc3sccc32)o1 ZINC000038097839 174111788 /nfs/dbraw/zinc/11/17/88/174111788.db2.gz PTMHEHBQQJWERR-SNVBAGLBSA-N 0 0 258.346 4.371 10 0 CIAERN CC(=O)c1cn(Cc2ccccc2)c2ccc(C)cc12 ZINC000038438114 174141228 /nfs/dbraw/zinc/14/12/28/174141228.db2.gz QLAKUZZFBWIOIU-UHFFFAOYSA-N 0 0 263.340 4.201 10 0 CIAERN CC1=CC[C@H](C(C)(C)OC(=O)c2ccccc2)CC1 ZINC000038632985 174149836 /nfs/dbraw/zinc/14/98/36/174149836.db2.gz SNCWRHHQNIWULG-HNNXBMFYSA-N 0 0 258.361 4.368 10 0 CIAERN CC(=O)SC(C)(C)C(C)(C)c1nc2ccccc2o1 ZINC000039044781 174161795 /nfs/dbraw/zinc/16/17/95/174161795.db2.gz VVOINMIABAQTAC-UHFFFAOYSA-N 0 0 277.389 4.164 10 0 CIAERN COc1ccc2nc(-c3ccc(N)cc3Cl)sc2c1 ZINC000039084577 174162857 /nfs/dbraw/zinc/16/28/57/174162857.db2.gz ITVTUNOCRYMSJD-UHFFFAOYSA-N 0 0 290.775 4.208 10 0 CIAERN CC(=O)[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000039258216 174167286 /nfs/dbraw/zinc/16/72/86/174167286.db2.gz QBUHTILKEWKIBR-HNNXBMFYSA-N 0 0 258.748 4.255 10 0 CIAERN CC[C@@]12CCC3=C(CCc4cc(OC)ccc43)[C@@H]1CC[C@@H]2O ZINC000039251859 174167694 /nfs/dbraw/zinc/16/76/94/174167694.db2.gz VOVSXUVLXBTVLM-SLFFLAALSA-N 0 0 298.426 4.356 10 0 CIAERN O=C(c1ccc(Cl)cc1)c1cccc2cc[nH]c21 ZINC000039643333 174171745 /nfs/dbraw/zinc/17/17/45/174171745.db2.gz COKIJEYPLWWNAQ-UHFFFAOYSA-N 0 0 255.704 4.052 10 0 CIAERN CCOC(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000040174797 174201116 /nfs/dbraw/zinc/20/11/16/174201116.db2.gz BCLWCCXQWLJLHL-UHFFFAOYSA-N 0 0 260.720 4.184 10 0 CIAERN Cc1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000040224648 174207885 /nfs/dbraw/zinc/20/78/85/174207885.db2.gz NTLHMUZMXKZWLI-UHFFFAOYSA-N 0 0 280.371 4.041 10 0 CIAERN Cc1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000040224633 174208088 /nfs/dbraw/zinc/20/80/88/174208088.db2.gz QEUMBOMJROTMRE-UHFFFAOYSA-N 0 0 280.371 4.041 10 0 CIAERN O[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000040243650 174214409 /nfs/dbraw/zinc/21/44/09/174214409.db2.gz WDHJXSIVNBJRNZ-CYBMUJFWSA-N 0 0 271.118 4.214 10 0 CIAERN O[C@H](c1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000040248925 174215673 /nfs/dbraw/zinc/21/56/73/174215673.db2.gz WZIMWKBXSWFDTP-ZDUSSCGKSA-N 0 0 289.108 4.353 10 0 CIAERN CC(C)(C)c1ccc([C@H](O)c2ccccc2F)cc1 ZINC000040254176 174216063 /nfs/dbraw/zinc/21/60/63/174216063.db2.gz YTPZEMNGTLDBMT-INIZCTEOSA-N 0 0 258.336 4.205 10 0 CIAERN Cc1cc(NC(=O)C(C)C)c2ccc(Cl)c(C)c2n1 ZINC000040359530 174246349 /nfs/dbraw/zinc/24/63/49/174246349.db2.gz VNBARRYFLSOFKD-UHFFFAOYSA-N 0 0 276.767 4.100 10 0 CIAERN Oc1cccc(-c2ccc(-c3cccc(O)c3)s2)c1 ZINC000040393198 174252437 /nfs/dbraw/zinc/25/24/37/174252437.db2.gz SVBBCXVMACPXGW-UHFFFAOYSA-N 0 0 268.337 4.493 10 0 in-vivo CIAERN CCOCCCn1c2cc(Cl)ccc2nc1C(C)C ZINC000040403218 174253614 /nfs/dbraw/zinc/25/36/14/174253614.db2.gz QWLIHBIXAMSSQC-UHFFFAOYSA-N 0 0 280.799 4.240 10 0 CIAERN Cc1cc(C)c(OCCCOc2ccccc2N)c(C)c1 ZINC000040677948 174374451 /nfs/dbraw/zinc/37/44/51/174374451.db2.gz FVLVCJVCVNZJKG-UHFFFAOYSA-N 0 0 285.387 4.042 10 0 CIAERN CCCCc1nn2cc(-c3ccccc3Cl)nc2s1 ZINC000040963666 174440510 /nfs/dbraw/zinc/44/05/10/174440510.db2.gz ARSYBMPXGXPWNK-UHFFFAOYSA-N 0 0 291.807 4.454 10 0 CIAERN CC(C)c1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000040963585 174440553 /nfs/dbraw/zinc/44/05/53/174440553.db2.gz VLOWPSQFOCRXFA-UHFFFAOYSA-N 0 0 277.780 4.235 10 0 CIAERN CCCCOc1ccc(-c2cn3ccsc3n2)cc1 ZINC000041005614 174448065 /nfs/dbraw/zinc/44/80/65/174448065.db2.gz GHRYSHDIVXRUKP-UHFFFAOYSA-N 0 0 272.373 4.242 10 0 CIAERN CC[C@@H](C)NC(=O)c1sc2ccc(OC)cc2c1Cl ZINC000041007917 174448672 /nfs/dbraw/zinc/44/86/72/174448672.db2.gz HRDWWKBTXKNLGA-MRVPVSSYSA-N 0 0 297.807 4.092 10 0 CIAERN COc1ccccc1Nc1ccnc2ccc(C)cc21 ZINC000041054744 174465028 /nfs/dbraw/zinc/46/50/28/174465028.db2.gz ACRJJNAOOMPVCX-UHFFFAOYSA-N 0 0 264.328 4.295 10 0 CIAERN Cc1cccc(C(=O)Nc2ccnc3c(C)cccc23)c1 ZINC000041057876 174465511 /nfs/dbraw/zinc/46/55/11/174465511.db2.gz PJKNKBZJVFQEQU-UHFFFAOYSA-N 0 0 276.339 4.104 10 0 CIAERN Cc1ccccc1OCCNc1ccc(Cl)cc1 ZINC000041352794 174531156 /nfs/dbraw/zinc/53/11/56/174531156.db2.gz WYPRQVCTTOUAIN-UHFFFAOYSA-N 0 0 261.752 4.139 10 0 CIAERN Cc1ccc(C[C@@H](CO)Cc2cc(C)ccc2C)cc1 ZINC000041388265 174543119 /nfs/dbraw/zinc/54/31/19/174543119.db2.gz KGNASTLNVWDWDI-GOSISDBHSA-N 0 0 268.400 4.006 10 0 CIAERN COc1ccc2c(c1)c(C=O)cn2Cc1ccccc1Cl ZINC000041506978 174563222 /nfs/dbraw/zinc/56/32/22/174563222.db2.gz BSLWDDITAKZPNJ-UHFFFAOYSA-N 0 0 299.757 4.164 10 0 CIAERN CC[C@H](C)[C@H](C)Nc1cc2nc(C)sc2cc1N ZINC000042552554 174791015 /nfs/dbraw/zinc/79/10/15/174791015.db2.gz ZEIVWIYXNDVTGJ-IUCAKERBSA-N 0 0 263.410 4.033 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1ccc(N)cc1C(F)(F)F ZINC000042552678 174791067 /nfs/dbraw/zinc/79/10/67/174791067.db2.gz JOVSFDCQDWJLQA-DTWKUNHWSA-N 0 0 260.303 4.134 10 0 CIAERN CC[C@@H](C(C)C)n1c2cccc(F)c2[nH]c1=S ZINC000042591816 174811720 /nfs/dbraw/zinc/81/17/20/174811720.db2.gz CAIBKZGCWMTVEW-JTQLQIEISA-N 0 0 252.358 4.445 10 0 CIAERN C[C@@H](c1ccc(Cl)s1)n1c(=S)[nH]nc1C1CC1 ZINC000042591584 174811826 /nfs/dbraw/zinc/81/18/26/174811826.db2.gz NCMANBQEOAFTOJ-LURJTMIESA-N 0 0 285.825 4.142 10 0 CIAERN O=C1C[C@](c2ccccc2)(C(F)(F)F)c2ccccc21 ZINC000043463917 175052620 /nfs/dbraw/zinc/05/26/20/175052620.db2.gz JZQJZUAFFRBYPR-OAHLLOKOSA-N 0 0 276.257 4.121 10 0 CIAERN COc1ccc(Cl)cc1NCc1ccc(O)c(Cl)c1 ZINC000043476774 175054580 /nfs/dbraw/zinc/05/45/80/175054580.db2.gz RLXOZLVTJGEYHG-UHFFFAOYSA-N 0 0 298.169 4.320 10 0 CIAERN O=C1CCCCC[C@@H]1Cc1ccc(F)cc1Cl ZINC000043650014 175085417 /nfs/dbraw/zinc/08/54/17/175085417.db2.gz OZWIEDYQYCTOPI-LLVKDONJSA-N 0 0 254.732 4.171 10 0 CIAERN CC(C)CCOCc1sccc1Br ZINC000043679360 175089544 /nfs/dbraw/zinc/08/95/44/175089544.db2.gz SOKOOSUIUXYXMP-UHFFFAOYSA-N 0 0 263.200 4.073 10 0 CIAERN CC(C)CCCOCc1ccc(Br)s1 ZINC000043679693 175090594 /nfs/dbraw/zinc/09/05/94/175090594.db2.gz QJIMTZFMILBJCI-UHFFFAOYSA-N 0 0 277.227 4.463 10 0 CIAERN CC(C)CCOCc1cc(Br)cs1 ZINC000043687553 175094900 /nfs/dbraw/zinc/09/49/00/175094900.db2.gz RDGAESDFOPGWOR-UHFFFAOYSA-N 0 0 263.200 4.073 10 0 CIAERN CC(C)C[C@H](C)OCc1cc(Br)cs1 ZINC000043687578 175094914 /nfs/dbraw/zinc/09/49/14/175094914.db2.gz YCHZJTXVMGIZGH-VIFPVBQESA-N 0 0 277.227 4.462 10 0 CIAERN Brc1csc(COc2ccccc2)c1 ZINC000043687539 175094921 /nfs/dbraw/zinc/09/49/21/175094921.db2.gz CLYSWPSHUHBBRD-UHFFFAOYSA-N 0 0 269.163 4.090 10 0 CIAERN Cc1ccccc1-c1ccc(Br)s1 ZINC000044120968 175142699 /nfs/dbraw/zinc/14/26/99/175142699.db2.gz ZXDPVJWXKDNHIU-UHFFFAOYSA-N 0 0 253.164 4.486 10 0 CIAERN C[C@@H](CCc1ccco1)n1c(=S)[nH]c2ccccc21 ZINC000044389121 175170628 /nfs/dbraw/zinc/17/06/28/175170628.db2.gz AINLHVKULANHNA-NSHDSACASA-N 0 0 272.373 4.486 10 0 CIAERN Cc1c2nc(Br)sc2ccc1Cl ZINC000044601843 175215531 /nfs/dbraw/zinc/21/55/31/175215531.db2.gz WRAIPYYAWJYORD-UHFFFAOYSA-N 0 0 262.559 4.021 10 0 CIAERN Cc1sc(Br)nc1-c1ccc(C)cc1 ZINC000057556009 175598862 /nfs/dbraw/zinc/59/88/62/175598862.db2.gz LLINPGFRPHUAEW-UHFFFAOYSA-N 0 0 268.179 4.189 10 0 CIAERN Clc1nc(-c2cccc(Br)c2)cs1 ZINC000061714238 175653867 /nfs/dbraw/zinc/65/38/67/175653867.db2.gz FGCHXDIQMZWJGA-UHFFFAOYSA-N 0 0 274.570 4.226 10 0 CIAERN Oc1cc(Br)cc(-c2ccc(F)cc2F)c1 ZINC000065343809 175712984 /nfs/dbraw/zinc/71/29/84/175712984.db2.gz BZCVWUSEWYOQLK-UHFFFAOYSA-N 0 0 285.087 4.100 10 0 CIAERN Brc1ccc2c(c1)C1(CN2)CCCCC1 ZINC000068593512 175812120 /nfs/dbraw/zinc/81/21/20/175812120.db2.gz IZEPVDFSBBDDPJ-UHFFFAOYSA-N 0 0 266.182 4.077 10 0 CIAERN Cc1ccc(/C=C/C(=O)NC2CCCCC2)cc1Cl ZINC000070236815 175883023 /nfs/dbraw/zinc/88/30/23/175883023.db2.gz HLUGOTYPECILMD-MDZDMXLPSA-N 0 0 277.795 4.111 10 0 CIAERN C[C@@H]1CCC[C@@H]1n1c2c(ccc(F)c2F)[nH]c1=S ZINC000071208649 176081355 /nfs/dbraw/zinc/08/13/55/176081355.db2.gz JGIRQAYQNIXCJW-XCBNKYQSSA-N 0 0 268.332 4.338 10 0 CIAERN CC(C)c1nc2cc(N)ccc2n1[C@H]1CCC[C@H]1C ZINC000071209437 176082146 /nfs/dbraw/zinc/08/21/46/176082146.db2.gz GFVHEWFDAPTMMF-RISCZKNCSA-N 0 0 257.381 4.103 10 0 CIAERN CC(C)c1nc2cc(N)ccc2n1[C@H]1CCC[C@@H]1C ZINC000071209438 176082175 /nfs/dbraw/zinc/08/21/75/176082175.db2.gz GFVHEWFDAPTMMF-FZMZJTMJSA-N 0 0 257.381 4.103 10 0 CIAERN CC(C)(C)c1cc(OCc2ccccc2)ccc1N ZINC000071257317 176095932 /nfs/dbraw/zinc/09/59/32/176095932.db2.gz QRYQRDIGTMPNGZ-UHFFFAOYSA-N 0 0 255.361 4.145 10 0 CIAERN Cc1ccc(C(=O)c2cc3cc(C)ccc3o2)s1 ZINC000071406406 176155784 /nfs/dbraw/zinc/15/57/84/176155784.db2.gz AONRRIWKGNBKRA-UHFFFAOYSA-N 0 0 256.326 4.342 10 0 CIAERN COc1ccc(C)cc1[C@H](N)c1cc2cc(C)ccc2o1 ZINC000071406755 176156261 /nfs/dbraw/zinc/15/62/61/176156261.db2.gz ILCPSZXKXLSDMM-SFHVURJKSA-N 0 0 281.355 4.106 10 0 CIAERN CCc1cnn2c1nc(Cl)c(C1CCCC1)c2Cl ZINC000071476324 176187127 /nfs/dbraw/zinc/18/71/27/176187127.db2.gz VFFQTWLEUYPIBT-UHFFFAOYSA-N 0 0 284.190 4.256 10 0 CIAERN CC(C)c1ccc2c(Br)nccc2c1 ZINC000071482505 176189065 /nfs/dbraw/zinc/18/90/65/176189065.db2.gz ZDUHOCAEHUJCMX-UHFFFAOYSA-N 0 0 250.139 4.121 10 0 CIAERN Cc1[nH]c2ccc(C(C)C)cc2c1Br ZINC000071494943 176191760 /nfs/dbraw/zinc/19/17/60/176191760.db2.gz UNGXEPDIYSNRBL-UHFFFAOYSA-N 0 0 252.155 4.362 10 0 CIAERN Cc1cc(C)c(-c2cc(Cl)nc(Cl)n2)c(C)c1 ZINC000071598899 176223152 /nfs/dbraw/zinc/22/31/52/176223152.db2.gz FJHXABHGJPHIJK-UHFFFAOYSA-N 0 0 267.159 4.376 10 0 CIAERN CC(C)Oc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071632977 176237267 /nfs/dbraw/zinc/23/72/67/176237267.db2.gz WQWDUOZHDVMPQP-UHFFFAOYSA-N 0 0 283.158 4.238 10 0 CIAERN C[C@@H](N(C)c1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000071791802 176263230 /nfs/dbraw/zinc/26/32/30/176263230.db2.gz LOZQBZVOKNNJEE-ZZFFKQLHSA-N 0 0 270.420 4.123 10 0 CIAERN Fc1ccc(Oc2nc(Cl)nc3ccsc32)cc1 ZINC000072103306 176315796 /nfs/dbraw/zinc/31/57/96/176315796.db2.gz GIGGBAXHJMLLFU-UHFFFAOYSA-N 0 0 280.711 4.276 10 0 CIAERN FC(F)(F)c1ccc(C2CC2)cc1Br ZINC000072193364 176336607 /nfs/dbraw/zinc/33/66/07/176336607.db2.gz UJDRDIYVPCWZJX-UHFFFAOYSA-N 0 0 265.072 4.345 10 0 CIAERN Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(C(C)C)n1 ZINC000072462220 176405806 /nfs/dbraw/zinc/40/58/06/176405806.db2.gz SIVKFXNAVFCVJX-UHFFFAOYSA-N 0 0 292.386 4.070 10 0 CIAERN CC(C)CCn1cc(C=O)c2cc(Br)ccc21 ZINC000076816649 177107355 /nfs/dbraw/zinc/10/73/55/177107355.db2.gz FPLIETLIPBKHRB-UHFFFAOYSA-N 0 0 294.192 4.262 10 0 CIAERN Nc1cccc(CSCc2ccc(Cl)cc2)c1 ZINC000077019214 177151982 /nfs/dbraw/zinc/15/19/82/177151982.db2.gz QRTPUINBRCQQAS-UHFFFAOYSA-N 0 0 263.793 4.356 10 0 CIAERN FC(F)(F)c1cccc(N[C@H]2CCc3ccccc32)n1 ZINC000301064821 227435772 /nfs/dbraw/zinc/43/57/72/227435772.db2.gz AVLFSXHOPQODDC-LBPRGKRZSA-N 0 0 278.277 4.200 10 0 CIAERN c1ccc2nc(N3CC[C@H]4CCCC[C@H]43)ccc2c1 ZINC000301570941 227592669 /nfs/dbraw/zinc/59/26/69/227592669.db2.gz MCGDCPHSDSWXMW-GDBMZVCRSA-N 0 0 252.361 4.004 10 0 CIAERN Fc1cc2cccnc2c(-c2nc(C3CCCC3)no2)c1 ZINC000179911778 260079688 /nfs/dbraw/zinc/07/96/88/260079688.db2.gz BVAJAQWGITWEBZ-UHFFFAOYSA-N 0 0 283.306 4.082 10 0 CIAERN C[C@@H](COCc1ccccc1)[NH2+]Cc1ccsc1Cl ZINC000312601393 260174211 /nfs/dbraw/zinc/17/42/11/260174211.db2.gz MHHGRBHKDSMNCU-LBPRGKRZSA-N 0 0 295.835 4.096 10 0 CIAERN C[Si](C)(C)CCOCn1ccc2c1nccc2Cl ZINC000196220429 260198561 /nfs/dbraw/zinc/19/85/61/260198561.db2.gz XZIRRBIOVUGENX-UHFFFAOYSA-N 0 0 282.847 4.002 10 0 CIAERN Cc1nc([C@@H]2CCCN2C/C=C\c2ccccc2)cs1 ZINC000426767529 260221465 /nfs/dbraw/zinc/22/14/65/260221465.db2.gz NVQNFYVPIBFZHQ-OOYWPUHTSA-N 0 0 284.428 4.302 10 0 CIAERN C[C@@H](N[C@@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963159 260264342 /nfs/dbraw/zinc/26/43/42/260264342.db2.gz ODIVLEYMISFHEQ-IAQYHMDHSA-N 0 0 289.325 4.139 10 0 CIAERN CCCn1ccc(CNc2cccc(-c3cnco3)c2)c1 ZINC000091012459 260264543 /nfs/dbraw/zinc/26/45/43/260264543.db2.gz LOSICRORONCDHR-UHFFFAOYSA-N 0 0 281.359 4.165 10 0 CIAERN FC(F)(F)CCCCNc1cc(C(F)(F)F)ccn1 ZINC000128944456 260379436 /nfs/dbraw/zinc/37/94/36/260379436.db2.gz PMTJLJAXMXMFGF-UHFFFAOYSA-N 0 0 286.219 4.245 10 0 CIAERN Cc1cc(Br)cnc1N[C@@H](C)c1cccs1 ZINC000086707355 260396534 /nfs/dbraw/zinc/39/65/34/260396534.db2.gz OZXDJJRLLIPWOC-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cc(C)nc(C(C)C)n2)s1 ZINC000048738891 260656724 /nfs/dbraw/zinc/65/67/24/260656724.db2.gz LIJPROCJQRQTJX-GFCCVEGCSA-N 0 0 275.421 4.451 10 0 CIAERN c1coc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000152049889 261059158 /nfs/dbraw/zinc/05/91/58/261059158.db2.gz ZMOIDHZEFDIOLA-MRXNPFEDSA-N 0 0 283.371 4.206 10 0 CIAERN C[C@@H](CNc1ccc(Cl)cn1)c1ccsc1 ZINC000301439040 261333827 /nfs/dbraw/zinc/33/38/27/261333827.db2.gz UKAZNOOKLVZYHF-VIFPVBQESA-N 0 0 252.770 4.012 10 0 CIAERN C[C@H](CNc1ccc(Br)cn1)c1ccsc1 ZINC000301446395 261333797 /nfs/dbraw/zinc/33/37/97/261333797.db2.gz YRZVQINWBBOIKP-SECBINFHSA-N 0 0 297.221 4.121 10 0 CIAERN C[C@H](CNc1ccncc1Cl)c1ccsc1 ZINC000301595948 261337376 /nfs/dbraw/zinc/33/73/76/261337376.db2.gz ZEFJRLBOHAXJIE-SECBINFHSA-N 0 0 252.770 4.012 10 0 CIAERN Cc1nc(-c2ccc(Cl)cc2)nc(Cl)c1C ZINC000037947833 261404436 /nfs/dbraw/zinc/40/44/36/261404436.db2.gz SIHJBPGSYWHWGP-UHFFFAOYSA-N 0 0 253.132 4.067 10 0 CIAERN Cc1cc(N[C@H](C)c2nccs2)c2cccnc2c1C ZINC000179982338 261829454 /nfs/dbraw/zinc/82/94/54/261829454.db2.gz QRIBBJYURPINDH-GFCCVEGCSA-N 0 0 283.400 4.481 10 0 CIAERN Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000184253636 262014386 /nfs/dbraw/zinc/01/43/86/262014386.db2.gz OIQVLZTVQCSXJI-GJZGRUSLSA-N 0 0 254.377 4.110 10 0 CIAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c(F)c1 ZINC000093049535 262213294 /nfs/dbraw/zinc/21/32/94/262213294.db2.gz OOESGXDJPLQASO-SECBINFHSA-N 0 0 297.782 4.340 10 0 CIAERN Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000221733202 262293233 /nfs/dbraw/zinc/29/32/33/262293233.db2.gz FPJLCFDWJFLIHE-KGLIPLIRSA-N 0 0 272.367 4.249 10 0 CIAERN CC[C@H](C)CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000188492437 262300733 /nfs/dbraw/zinc/30/07/33/262300733.db2.gz VAZGSGAXXGZFMS-IUCAKERBSA-N 0 0 259.802 4.015 10 0 CIAERN CC[C@@H](C)CC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000188492451 262300826 /nfs/dbraw/zinc/30/08/26/262300826.db2.gz VAZGSGAXXGZFMS-RKDXNWHRSA-N 0 0 259.802 4.015 10 0 CIAERN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)o1 ZINC000164988284 263779368 /nfs/dbraw/zinc/77/93/68/263779368.db2.gz PDEOXAXOZJEIPS-KXBFYZLASA-N 0 0 292.382 4.423 10 0 CIAERN C[C@@H](Nc1cc(Cl)nc(C2CC2)n1)c1cccs1 ZINC000126486198 264220857 /nfs/dbraw/zinc/22/08/57/264220857.db2.gz VEEUWHIYHPJOBJ-MRVPVSSYSA-N 0 0 279.796 4.242 10 0 CIAERN Cc1ccc(CNc2nc3ccc(Cl)cc3s2)o1 ZINC000093429476 265179257 /nfs/dbraw/zinc/17/92/57/265179257.db2.gz PLGPPKYHCGQWRQ-UHFFFAOYSA-N 0 0 278.764 4.463 10 0 CIAERN CC[C@H](Nc1ncc(Cl)cc1F)c1ccccc1 ZINC000094052298 265212057 /nfs/dbraw/zinc/21/20/57/265212057.db2.gz FQDPNJAHFJPAMH-ZDUSSCGKSA-N 0 0 264.731 4.437 10 0 CIAERN CC[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C ZINC000094351208 265238322 /nfs/dbraw/zinc/23/83/22/265238322.db2.gz OWMNUIJOZXJEEK-NSHDSACASA-N 0 0 291.288 4.009 10 0 CIAERN FC(F)(F)c1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000094365618 265240284 /nfs/dbraw/zinc/24/02/84/265240284.db2.gz OKLYBFJNBQVEMG-CYBMUJFWSA-N 0 0 285.309 4.219 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000094854157 265262687 /nfs/dbraw/zinc/26/26/87/265262687.db2.gz VPTLXRFTNFSLQZ-VIFPVBQESA-N 0 0 281.277 4.286 10 0 CIAERN CC[C@@H](Nc1cc(OC)ccc1F)c1ccc(OC)cc1 ZINC000094854340 265263553 /nfs/dbraw/zinc/26/35/53/265263553.db2.gz JAVIEWDZRBXNFW-MRXNPFEDSA-N 0 0 289.350 4.406 10 0 CIAERN CC[C@@H](Nc1cc(OC)ccc1F)c1ccccc1 ZINC000094854541 265263907 /nfs/dbraw/zinc/26/39/07/265263907.db2.gz UQOQVRYVDKTEMZ-OAHLLOKOSA-N 0 0 259.324 4.398 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2cc(F)ccc2F)c1 ZINC000094854575 265264455 /nfs/dbraw/zinc/26/44/55/265264455.db2.gz SNZUKKJGIHCEKQ-VIFPVBQESA-N 0 0 281.277 4.286 10 0 CIAERN Cc1ccc([C@H](C)Nc2cc(C(C)C)ncn2)cc1F ZINC000094957828 265278943 /nfs/dbraw/zinc/27/89/43/265278943.db2.gz QWBHTOZZMIHAQG-LBPRGKRZSA-N 0 0 273.355 4.221 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccncc2Cl)cc1F ZINC000094957809 265279023 /nfs/dbraw/zinc/27/90/23/265279023.db2.gz GPHJPTSHHHLIFI-SNVBAGLBSA-N 0 0 264.731 4.356 10 0 CIAERN CCc1csc(N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000094957967 265279369 /nfs/dbraw/zinc/27/93/69/265279369.db2.gz SMIPYHWBYZUCIR-SNVBAGLBSA-N 0 0 264.369 4.326 10 0 CIAERN CCCOc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116045926 267121223 /nfs/dbraw/zinc/12/12/23/267121223.db2.gz AMZQCNAEKUIKEX-MRXNPFEDSA-N 0 0 299.370 4.046 10 0 CIAERN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccco1 ZINC000116477635 267153129 /nfs/dbraw/zinc/15/31/29/267153129.db2.gz FTHDIWZMTFHPEV-MRXNPFEDSA-N 0 0 296.370 4.137 10 0 CIAERN CC(C)n1ccnc1CSC/C=C/c1ccccc1 ZINC000175274224 327664723 /nfs/dbraw/zinc/66/47/23/327664723.db2.gz IDSHBTCUQOEWRK-RMKNXTFCSA-N 0 0 272.417 4.411 10 0 CIAERN C[C@H](CNc1ccncc1Cl)c1cccs1 ZINC000301539570 327716819 /nfs/dbraw/zinc/71/68/19/327716819.db2.gz UYRRLOJPHPAMAG-SECBINFHSA-N 0 0 252.770 4.012 10 0 CIAERN CCCOc1cccc(N[C@H](C)c2cncs2)c1 ZINC000165093213 327726018 /nfs/dbraw/zinc/72/60/18/327726018.db2.gz YMBRVIQEVFHRBN-LLVKDONJSA-N 0 0 262.378 4.105 10 0 CIAERN CCOc1cccc(NC(=O)N[C@@H](C)c2cccs2)c1 ZINC000048118604 328043068 /nfs/dbraw/zinc/04/30/68/328043068.db2.gz YLUNEVIVLPVMIK-NSHDSACASA-N 0 0 290.388 4.030 10 0 CIAERN CSc1ccc(C)c(C(=O)N[C@H](C)c2cccs2)c1 ZINC000048421427 328308095 /nfs/dbraw/zinc/30/80/95/328308095.db2.gz NQOPUEMMTFODDB-LLVKDONJSA-N 0 0 291.441 4.269 10 0 CIAERN CC[C@@H](Nc1nc2ccccc2o1)c1ccccc1 ZINC000050197662 328391305 /nfs/dbraw/zinc/39/13/05/328391305.db2.gz TYXGLTYBKNSSCJ-CYBMUJFWSA-N 0 0 252.317 4.391 10 0 CIAERN Clc1ccccc1-c1noc(-c2ccc3c(c2)CCN3)n1 ZINC000050438446 328439756 /nfs/dbraw/zinc/43/97/56/328439756.db2.gz YLOIWWVGTOZCGY-UHFFFAOYSA-N 0 0 297.745 4.025 10 0 CIAERN CCCn1ccc(CNc2ccc(F)c(Cl)c2)c1 ZINC000091010037 327165113 /nfs/dbraw/zinc/16/51/13/327165113.db2.gz HZWIMYHFIAYLJQ-UHFFFAOYSA-N 0 0 266.747 4.303 10 0 CIAERN Cc1ccc(C(F)(F)F)cc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000091478820 327170722 /nfs/dbraw/zinc/17/07/22/327170722.db2.gz WBTIYINHZZBUGU-BNOWGMLFSA-N 0 0 299.336 4.239 10 0 CIAERN Cc1nn(C)cc1[C@H](C)Nc1cc(C(F)(F)F)ccc1C ZINC000091479013 327171091 /nfs/dbraw/zinc/17/10/91/327171091.db2.gz UNOAFCPYHCETEZ-JTQLQIEISA-N 0 0 297.324 4.229 10 0 CIAERN CC[C@H](Nc1ncccc1Br)c1ccccc1 ZINC000051628821 328626306 /nfs/dbraw/zinc/62/63/06/328626306.db2.gz ZXJDGUBMJWAFPP-ZDUSSCGKSA-N 0 0 291.192 4.407 10 0 CIAERN CC[C@@H](Nc1ccc(Br)cn1)c1ccccc1 ZINC000051628942 328626401 /nfs/dbraw/zinc/62/64/01/328626401.db2.gz ZHKYKFBJNMIYTG-CYBMUJFWSA-N 0 0 291.192 4.407 10 0 CIAERN CCC1CCC(NC(=O)c2cc(Cl)ccc2F)CC1 ZINC000042354134 328766814 /nfs/dbraw/zinc/76/68/14/328766814.db2.gz MJBPDOQRYRDCQH-UHFFFAOYSA-N 0 0 283.774 4.178 10 0 CIAERN C[C@H](NC(=O)Nc1nccs1)c1ccc2ccccc2c1 ZINC000042754611 328771925 /nfs/dbraw/zinc/77/19/25/328771925.db2.gz XOLSMPWYKPOPIU-NSHDSACASA-N 0 0 297.383 4.179 10 0 CIAERN C[C@H](CNc1nc(C(C)(C)C)ns1)c1ccsc1 ZINC000302495665 328832085 /nfs/dbraw/zinc/83/20/85/328832085.db2.gz JWTOLITYCYUNEC-SECBINFHSA-N 0 0 281.450 4.113 10 0 CIAERN Cc1ccc(CCC(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116040848 328933783 /nfs/dbraw/zinc/93/37/83/328933783.db2.gz FGZFRSUZZLKJBG-QGZVFWFLSA-N 0 0 297.398 4.193 10 0 CIAERN CCS[C@@H]1CC[C@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000218049467 329066963 /nfs/dbraw/zinc/06/69/63/329066963.db2.gz DCHGSNYNHNMDRW-WDEREUQCSA-N 0 0 297.855 4.094 10 0 CIAERN CC(=O)c1ccc(N[C@H](C)c2ccc(Cl)s2)nc1 ZINC000180974893 329224650 /nfs/dbraw/zinc/22/46/50/329224650.db2.gz WHZRKYQWHFZKQA-MRVPVSSYSA-N 0 0 280.780 4.172 10 0 CIAERN CC(=O)c1ccc(N[C@@H]2CC[C@H](C)c3ccccc32)nc1 ZINC000181233956 329227205 /nfs/dbraw/zinc/22/72/05/329227205.db2.gz GJTSQXJRNQCEAR-YVEFUNNKSA-N 0 0 280.371 4.335 10 0 CIAERN CC(=O)Nc1ccc([C@H](C)Nc2ccccc2C)cc1 ZINC000182181163 329240500 /nfs/dbraw/zinc/24/05/00/329240500.db2.gz NJIUNOMWQQUYID-ZDUSSCGKSA-N 0 0 268.360 4.127 10 0 CIAERN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2[nH]ccc21 ZINC000036166731 329505027 /nfs/dbraw/zinc/50/50/27/329505027.db2.gz DHCLSSQCERXMJZ-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116048385 329544510 /nfs/dbraw/zinc/54/45/10/329544510.db2.gz LXLISLUDJLLJOY-DZGCQCFKSA-N 0 0 275.392 4.160 10 0 CIAERN C[C@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116048391 329544635 /nfs/dbraw/zinc/54/46/35/329544635.db2.gz LXLISLUDJLLJOY-HIFRSBDPSA-N 0 0 275.392 4.160 10 0 CIAERN Cc1nc([C@@H](C)N[C@H](C)c2cccc(F)c2)cs1 ZINC000036915419 329548766 /nfs/dbraw/zinc/54/87/66/329548766.db2.gz NMHKWGJWHNGTGW-NXEZZACHSA-N 0 0 264.369 4.002 10 0 CIAERN C[C@@H](c1ccco1)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000124487214 329570992 /nfs/dbraw/zinc/57/09/92/329570992.db2.gz ZGTGPHSLIGAKJY-BBRMVZONSA-N 0 0 298.386 4.060 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cn(C)nc2C(C)C)s1 ZINC000302197510 332870114 /nfs/dbraw/zinc/87/01/14/332870114.db2.gz XTRMEGYZHUPCDV-LLVKDONJSA-N 0 0 263.410 4.087 10 0 CIAERN C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ncc[nH]1 ZINC000138975591 329678578 /nfs/dbraw/zinc/67/85/78/329678578.db2.gz VLBMOJYLSVUQBY-RKDXNWHRSA-N 0 0 284.190 4.128 10 0 CIAERN CCn1c(C)nnc1CS[C@@H](C)c1ccc(Cl)cc1 ZINC000194700270 329688290 /nfs/dbraw/zinc/68/82/90/329688290.db2.gz XGBGIFRPHPCIPC-JTQLQIEISA-N 0 0 295.839 4.254 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)o1 ZINC000245412388 329698268 /nfs/dbraw/zinc/69/82/68/329698268.db2.gz AMDDIYLLMHGLRE-QSJFSLAZSA-N 0 0 287.403 4.078 10 0 CIAERN C[C@@H]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000249055624 329904138 /nfs/dbraw/zinc/90/41/38/329904138.db2.gz XNUWRBBFXZBRAA-MCIONIFRSA-N 0 0 292.448 4.023 10 0 CIAERN CC[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000251990650 329937387 /nfs/dbraw/zinc/93/73/87/329937387.db2.gz VXQSUPOIQDPMIO-RBSFLKMASA-N 0 0 275.392 4.160 10 0 CIAERN C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000263415842 330054857 /nfs/dbraw/zinc/05/48/57/330054857.db2.gz NGCSYLFDRPQVKG-ACJLOTCBSA-N 0 0 295.382 4.113 10 0 CIAERN C[C@H]1CC[C@H](NC(=O)Cc2ccsc2)c2ccccc21 ZINC000162782454 330116685 /nfs/dbraw/zinc/11/66/85/330116685.db2.gz SFBWZPBXQSBYHC-LRDDRELGSA-N 0 0 285.412 4.045 10 0 CIAERN COCc1ccccc1NC1CC(c2ccccc2)C1 ZINC000036939062 330317497 /nfs/dbraw/zinc/31/74/97/330317497.db2.gz NSNYZJBFSMGXMF-UHFFFAOYSA-N 0 0 267.372 4.191 10 0 CIAERN CC(C)CCOCCN[C@@H](c1ccco1)c1ccccc1 ZINC000045093893 330338391 /nfs/dbraw/zinc/33/83/91/330338391.db2.gz ISIKXJBDBSLMHQ-GOSISDBHSA-N 0 0 287.403 4.021 10 0 CIAERN CCn1nc(C)c([C@@H](C)Nc2ccc(Cl)cc2)c1C ZINC000045167481 330340614 /nfs/dbraw/zinc/34/06/14/330340614.db2.gz CULNHQVGMAMIBR-SNVBAGLBSA-N 0 0 277.799 4.346 10 0 CIAERN C[C@H](NC(=O)C(C1CC1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000119617037 330377446 /nfs/dbraw/zinc/37/74/46/330377446.db2.gz CNXOOBQATMYHFE-VIFPVBQESA-N 0 0 295.785 4.093 10 0 CIAERN CCn1ccc(-c2ccccc2C(F)(F)F)c1C=O ZINC000536957159 330383350 /nfs/dbraw/zinc/38/33/50/330383350.db2.gz DDQNRAXUFFZZRG-UHFFFAOYSA-N 0 0 267.250 4.006 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(C)ccc2Cl)o1 ZINC000120605734 330390565 /nfs/dbraw/zinc/39/05/65/330390565.db2.gz 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/nfs/dbraw/zinc/17/08/23/333170823.db2.gz JGBVZAGKQPSRBI-UWVGGRQHSA-N 0 0 282.746 4.187 10 0 CIAERN Cc1cnc([C@H](C)NCc2ccc(C(C)(C)C)cc2)o1 ZINC000220925684 333170842 /nfs/dbraw/zinc/17/08/42/333170842.db2.gz XZEWLZAINRPBGG-ZDUSSCGKSA-N 0 0 272.392 4.131 10 0 CIAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000220919785 333170848 /nfs/dbraw/zinc/17/08/48/333170848.db2.gz JGBVZAGKQPSRBI-VHSXEESVSA-N 0 0 282.746 4.187 10 0 CIAERN CCN(C(=O)[C@H]1CCCO[C@@H]1C)c1cccc2ccccc21 ZINC000190664685 333209563 /nfs/dbraw/zinc/20/95/63/333209563.db2.gz JNENZHKWUHMILW-ZBFHGGJFSA-N 0 0 297.398 4.008 10 0 CIAERN C[C@H]1CC[C@@H](NC(=O)c2ccoc2Cl)c2ccccc21 ZINC000192346039 333234823 /nfs/dbraw/zinc/23/48/23/333234823.db2.gz CKHGNKJTVTYSGZ-IINYFYTJSA-N 0 0 289.762 4.301 10 0 CIAERN CCN(C(=O)N[C@H](C)c1ccc(C(C)C)cc1)C1CC1 ZINC000193162988 333243651 /nfs/dbraw/zinc/24/36/51/333243651.db2.gz PKTRYPGUYHXNBO-CYBMUJFWSA-N 0 0 274.408 4.065 10 0 CIAERN Cc1cc2cc(NC(=O)N[C@@H](C)c3cccs3)ccc2[nH]1 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333563889 /nfs/dbraw/zinc/56/38/89/333563889.db2.gz KZCHRXUFLAVLMS-LLVKDONJSA-N 0 0 293.769 4.339 10 0 CIAERN Cc1cc(N[C@H](C)c2cccs2)ncc1Br ZINC000126725082 333603641 /nfs/dbraw/zinc/60/36/41/333603641.db2.gz WQOOXAFRMFWIRM-SECBINFHSA-N 0 0 297.221 4.387 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)o1 ZINC000127527427 333630870 /nfs/dbraw/zinc/63/08/70/333630870.db2.gz LAUOPZLFZVSDKZ-KRWDZBQOSA-N 0 0 297.398 4.193 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2ccc(F)c(OC)c2)c1 ZINC000128609087 333690695 /nfs/dbraw/zinc/69/06/95/333690695.db2.gz IRRLHYOAKSOHMQ-JTQLQIEISA-N 0 0 293.313 4.155 10 0 CIAERN Cc1oncc1CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000129687615 333788062 /nfs/dbraw/zinc/78/80/62/333788062.db2.gz JJNRCNFWKGAAFL-MRVPVSSYSA-N 0 0 285.174 4.141 10 0 CIAERN CCc1ccccc1CNc1cccc2ccncc21 ZINC000131426842 333936428 /nfs/dbraw/zinc/93/64/28/333936428.db2.gz SXWZHBLZWLTASK-UHFFFAOYSA-N 0 0 262.356 4.409 10 0 CIAERN C[C@@H](C1CC1)N(C(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000073432755 333972539 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CC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000061688038 518217392 /nfs/dbraw/zinc/21/73/92/518217392.db2.gz SWGLDHHZAXXIDQ-CYBMUJFWSA-N 0 0 258.283 4.109 10 0 CIAERN CC(=O)c1c(F)cccc1N(C)[C@H]1CCCC[C@H]1C ZINC000055387497 518239005 /nfs/dbraw/zinc/23/90/05/518239005.db2.gz ALQBOIIBZGDVOQ-RISCZKNCSA-N 0 0 263.356 4.043 10 0 CIAERN CC(=O)c1ccc(N(C)Cc2ccsc2)c(Cl)c1 ZINC000061693689 518343544 /nfs/dbraw/zinc/34/35/44/518343544.db2.gz IFCTUTLOFYNUBY-UHFFFAOYSA-N 0 0 279.792 4.241 10 0 CIAERN CC(=O)c1ccc(Oc2nc(C)nc(C)c2C)c(Cl)c1 ZINC000120381112 518399915 /nfs/dbraw/zinc/39/99/15/518399915.db2.gz VJSDJTALQOEYNC-UHFFFAOYSA-N 0 0 290.750 4.050 10 0 CIAERN CC(=O)c1ccc(Oc2cc(Cl)nc(C)n2)c(Cl)c1 ZINC000120381619 518401129 /nfs/dbraw/zinc/40/11/29/518401129.db2.gz HSCIADIKPFHZDY-UHFFFAOYSA-N 0 0 297.141 4.087 10 0 CIAERN CC(=O)c1ccc(Oc2cccc(F)c2)c(Cl)c1 ZINC000061695092 518401384 /nfs/dbraw/zinc/40/13/84/518401384.db2.gz KWASEPJXCZIXPJ-UHFFFAOYSA-N 0 0 264.683 4.474 10 0 CIAERN 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/nfs/dbraw/zinc/30/99/24/520309924.db2.gz UYMADLXOOBRWPG-JTQLQIEISA-N 0 0 284.856 4.355 10 0 CIAERN CCNc1nc(CS[C@@H](C)CC)nc2sccc21 ZINC000050837491 520357362 /nfs/dbraw/zinc/35/73/62/520357362.db2.gz BFYIMPNYDFNLBH-VIFPVBQESA-N 0 0 281.450 4.155 10 0 CIAERN CCNc1ncccc1CSc1ccc(F)cc1F ZINC000052756272 520377847 /nfs/dbraw/zinc/37/78/47/520377847.db2.gz NIOKZZMQZLCTTN-UHFFFAOYSA-N 0 0 280.343 4.084 10 0 CIAERN CCC[C@@H](C)N(C)C(=O)c1cc(Cl)ccc1NCC ZINC000050756181 520644161 /nfs/dbraw/zinc/64/41/61/520644161.db2.gz BHROKFSNNSJJQU-LLVKDONJSA-N 0 0 282.815 4.032 10 0 CIAERN CC1(Nc2cccc(Cl)c2C(N)=S)CCCCC1 ZINC000052907652 520772035 /nfs/dbraw/zinc/77/20/35/520772035.db2.gz HBMICPDWKNVOGA-UHFFFAOYSA-N 0 0 282.840 4.109 10 0 CIAERN CCC[C@@H](Nc1cc(Cl)ncn1)c1cccs1 ZINC000049549098 520794772 /nfs/dbraw/zinc/79/47/72/520794772.db2.gz AJBHNFITOXEITI-SECBINFHSA-N 0 0 267.785 4.145 10 0 CIAERN CCC[C@@](O)(c1ccccc1)c1ccc(C)cc1C ZINC000055235394 520939252 /nfs/dbraw/zinc/93/92/52/520939252.db2.gz 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CC[C@H](C1CCCCC1)n1cnc2cc(N)ccc21 ZINC000052853551 522085876 /nfs/dbraw/zinc/08/58/76/522085876.db2.gz NTXLXKQXCJIFIL-OAHLLOKOSA-N 0 0 257.381 4.150 10 0 CIAERN CC[C@@H](C1CCCCC1)n1cnc2cc(N)ccc21 ZINC000052853549 522464843 /nfs/dbraw/zinc/46/48/43/522464843.db2.gz NTXLXKQXCJIFIL-HNNXBMFYSA-N 0 0 257.381 4.150 10 0 CIAERN CNc1nc([C@H]2CCC[C@@H](C)C2)nc2sccc21 ZINC000050841417 522688304 /nfs/dbraw/zinc/68/83/04/522688304.db2.gz LLPWISKYEZKOMW-ZJUUUORDSA-N 0 0 261.394 4.027 10 0 CIAERN CC[C@H](N[C@@H](C)c1csc(C)n1)c1cccs1 ZINC000049529404 522701663 /nfs/dbraw/zinc/70/16/63/522701663.db2.gz SHMBYLCHPNSGJK-ONGXEEELSA-N 0 0 266.435 4.315 10 0 CIAERN CC[C@H](Nc1ccc(Br)cn1)c1cccs1 ZINC000042322738 522765504 /nfs/dbraw/zinc/76/55/04/522765504.db2.gz AWLAJDLAJBQVHR-JTQLQIEISA-N 0 0 297.221 4.469 10 0 CIAERN CC[C@@H](Nc1ccc(F)cc1N)c1cccs1 ZINC000049529154 522958980 /nfs/dbraw/zinc/95/89/80/522958980.db2.gz QPXDSVQKFJFASP-LLVKDONJSA-N 0 0 250.342 4.033 10 0 CIAERN COc1ccc(-c2cc3ncnc(Cl)c3s2)cc1F 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/nfs/dbraw/zinc/85/87/48/525858748.db2.gz LUBZYRPLKSYHOM-QMMMGPOBSA-N 0 0 284.689 4.464 10 0 CIAERN C[C@@H](O)c1ccc(N2CCC[C@@H](C)[C@H]2C)c(Cl)c1 ZINC000061697030 525868003 /nfs/dbraw/zinc/86/80/03/525868003.db2.gz MPVYRLQTBSEOLY-IJLUTSLNSA-N 0 0 267.800 4.018 10 0 CIAERN C[C@@H](O)c1ccc(N2CCC[C@H](C)[C@H]2C)c(Cl)c1 ZINC000061697031 525869965 /nfs/dbraw/zinc/86/99/65/525869965.db2.gz MPVYRLQTBSEOLY-QJPTWQEYSA-N 0 0 267.800 4.018 10 0 CIAERN C[C@@H](O)c1ccccc1NCc1ccccc1Cl ZINC000049541926 525875185 /nfs/dbraw/zinc/87/51/85/525875185.db2.gz IEBZJQJYKCPSRG-LLVKDONJSA-N 0 0 261.752 4.005 10 0 CIAERN Cc1ccc(-c2noc(N)c2-c2cccs2)c(C)c1 ZINC000052902079 525881723 /nfs/dbraw/zinc/88/17/23/525881723.db2.gz IJOGJXCXSPOBMP-UHFFFAOYSA-N 0 0 270.357 4.269 10 0 CIAERN Cc1ccc([C@H](C)NCc2cnc(C(C)(C)C)s2)o1 ZINC000059180833 525931306 /nfs/dbraw/zinc/93/13/06/525931306.db2.gz PZYHNGFUNOKSHX-NSHDSACASA-N 0 0 278.421 4.193 10 0 CIAERN C[C@@H](Oc1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000051018504 525942032 /nfs/dbraw/zinc/94/20/32/525942032.db2.gz BBORXCASUPJKKC-SNVBAGLBSA-N 0 0 272.735 4.356 10 0 CIAERN Cc1ccc([C@H](C)Nc2c(N)cccc2Cl)cc1 ZINC000049555316 525948262 /nfs/dbraw/zinc/94/82/62/525948262.db2.gz FUSCDKGMVJZCPM-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc([C@H](C)Nc2nc(C(F)(F)F)cs2)o1 ZINC000269370740 525949369 /nfs/dbraw/zinc/94/93/69/525949369.db2.gz PIDJRWZKQZRTPK-ZETCQYMHSA-N 0 0 276.283 4.236 10 0 CIAERN Cc1ccc([C@H](C)Nc2cnn(C(C)C)c2)c(C)c1 ZINC000061682618 525949927 /nfs/dbraw/zinc/94/99/27/525949927.db2.gz FHBRMVCAFDNKNR-AWEZNQCLSA-N 0 0 257.381 4.254 10 0 CIAERN Cc1ccc([C@H](O)[C@@H]2CCCc3ccccc32)cc1 ZINC000054669415 525978151 /nfs/dbraw/zinc/97/81/51/525978151.db2.gz INBNXKPPTBRHMA-MSOLQXFVSA-N 0 0 252.357 4.149 10 0 CIAERN Cc1ccc([C@H](O)Cc2cccc(Br)c2)s1 ZINC000050042078 525978778 /nfs/dbraw/zinc/97/87/78/525978778.db2.gz OQGVNLMUVVUYIJ-GFCCVEGCSA-N 0 0 297.217 4.095 10 0 CIAERN Cc1ccc(Br)cc1N[C@@H](C)Cc1ccco1 ZINC000062771257 525987721 /nfs/dbraw/zinc/98/77/21/525987721.db2.gz QZAKKJZGVRVHBI-NSHDSACASA-N 0 0 294.192 4.394 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)C2CCCCC2)o1 ZINC000127468283 525991179 /nfs/dbraw/zinc/99/11/79/525991179.db2.gz HDNPJLBKFSEIQY-OAHLLOKOSA-N 0 0 275.392 4.222 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccncc2C)o1 ZINC000120508010 525993684 /nfs/dbraw/zinc/99/36/84/525993684.db2.gz NESADEQBFJWJBD-OAHLLOKOSA-N 0 0 299.374 4.051 10 0 CIAERN C[C@H](c1ccc(Cl)cc1)N(C)c1cc(F)ccc1N ZINC000062013940 526050888 /nfs/dbraw/zinc/05/08/88/526050888.db2.gz AHUQVARTEIYADB-SNVBAGLBSA-N 0 0 278.758 4.259 10 0 CIAERN C[C@H](c1ccc(Cl)cc1)n1c(=S)[nH]nc1C1CC1 ZINC000049526375 526051813 /nfs/dbraw/zinc/05/18/13/526051813.db2.gz RHSSTHRSZWNNOI-MRVPVSSYSA-N 0 0 279.796 4.081 10 0 CIAERN C[C@H](c1cccc(Cl)c1)N(C)c1cccc(N)c1 ZINC000062014048 526076760 /nfs/dbraw/zinc/07/67/60/526076760.db2.gz YFQDTNHFLXDZDQ-LLVKDONJSA-N 0 0 260.768 4.120 10 0 CIAERN Cc1cc(Br)cc2nc(Cl)c(Cl)nc12 ZINC000062152713 526161132 /nfs/dbraw/zinc/16/11/32/526161132.db2.gz VIRNTWOBZDFPTL-UHFFFAOYSA-N 0 0 291.963 4.008 10 0 CIAERN Cc1ccc2c(c1)NC[C@@H](c1ccc(Cl)cc1)O2 ZINC000062538591 526171980 /nfs/dbraw/zinc/17/19/80/526171980.db2.gz ILEICCOYICGWAD-HNNXBMFYSA-N 0 0 259.736 4.194 10 0 CIAERN Cc1ccc2nc(-c3cccc(F)c3)nc(Cl)c2c1 ZINC000062772605 526242119 /nfs/dbraw/zinc/24/21/19/526242119.db2.gz SWQQHYJXFBRHFU-UHFFFAOYSA-N 0 0 272.710 4.398 10 0 CIAERN COc1cccc(Oc2ccc([C@H](C)O)cc2Cl)c1 ZINC000061697515 526242288 /nfs/dbraw/zinc/24/22/88/526242288.db2.gz CYTDIHZCDJMVKP-JTQLQIEISA-N 0 0 278.735 4.194 10 0 CIAERN C[C@H]1CCCC[C@@H]1CNc1ccc(C(N)=S)c(Cl)c1 ZINC000061849959 526255282 /nfs/dbraw/zinc/25/52/82/526255282.db2.gz YSMRFVVUYJRWCM-WDEREUQCSA-N 0 0 296.867 4.212 10 0 CIAERN O[C@H](Cc1cc(F)ccc1F)c1ccc(Cl)cc1F ZINC000062785479 526295135 /nfs/dbraw/zinc/29/51/35/526295135.db2.gz DTOWBXRIXNSTDC-CQSZACIVSA-N 0 0 286.680 4.033 10 0 CIAERN O[C@H](Cc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000055202696 526296700 /nfs/dbraw/zinc/29/67/00/526296700.db2.gz RZMQOONBIOXFKA-CYBMUJFWSA-N 0 0 285.145 4.409 10 0 CIAERN O[C@H](Cc1ccc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000062791902 526296906 /nfs/dbraw/zinc/29/69/06/526296906.db2.gz WBXIFRJNXGRBHW-CQSZACIVSA-N 0 0 286.680 4.033 10 0 CIAERN Fc1cc(F)cc(NCc2c[nH]c3ccccc23)c1 ZINC000052684701 526307653 /nfs/dbraw/zinc/30/76/53/526307653.db2.gz DKIAHASGXFVQBZ-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Fc1ccc2[nH]c(=S)n(C[C@H]3CC=CCC3)c2c1F ZINC000053169314 526367594 /nfs/dbraw/zinc/36/75/94/526367594.db2.gz YLGWHWAPQBBSRV-VIFPVBQESA-N 0 0 280.343 4.333 10 0 CIAERN Fc1cccc(Nc2nnc(Cl)c3ccccc32)c1 ZINC000050528963 526395792 /nfs/dbraw/zinc/39/57/92/526395792.db2.gz SCLBAXZYMYDNEZ-UHFFFAOYSA-N 0 0 273.698 4.166 10 0 CIAERN Cc1nc(-c2ccc(F)c(Cl)c2)nc(Cl)c1C ZINC000062791664 526573256 /nfs/dbraw/zinc/57/32/56/526573256.db2.gz GZBHKMBURJRWPO-UHFFFAOYSA-N 0 0 271.122 4.206 10 0 CIAERN CC(C)(C)[C@H](Nc1ccc2nccnc2n1)c1cccs1 ZINC000301592621 526711905 /nfs/dbraw/zinc/71/19/05/526711905.db2.gz YRDMWXZFPWQFIA-CQSZACIVSA-N 0 0 298.415 4.286 10 0 CIAERN O=C(c1cccc(Cl)c1F)N1CCC[C@H]1c1ccco1 ZINC000155130800 526761195 /nfs/dbraw/zinc/76/11/95/526761195.db2.gz MRZFFTMELFAWKH-LBPRGKRZSA-N 0 0 293.725 4.049 10 0 CIAERN Cc1nc(CCc2ccccc2)nc(Cl)c1C(C)C ZINC000061689162 526831356 /nfs/dbraw/zinc/83/13/56/526831356.db2.gz RKQIQPIYMNMRCJ-UHFFFAOYSA-N 0 0 274.795 4.347 10 0 CIAERN O=C1CCCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055230643 526970768 /nfs/dbraw/zinc/97/07/68/526970768.db2.gz YZSKCNJBYIEDEF-GFCCVEGCSA-N 0 0 256.267 4.322 10 0 CIAERN Clc1nc(CN2CCCCCCC2)nc2sccc21 ZINC000050839883 527003590 /nfs/dbraw/zinc/00/35/90/527003590.db2.gz XIYWOWMKRADITE-UHFFFAOYSA-N 0 0 295.839 4.111 10 0 CIAERN Cc1nc([C@@H](N)c2csc3ccccc32)sc1C ZINC000054465564 527037748 /nfs/dbraw/zinc/03/77/48/527037748.db2.gz HQGQZJOENOHKSA-ZDUSSCGKSA-N 0 0 274.414 4.023 10 0 CIAERN NC(=S)c1ccc(Cl)cc1OC1CCCCCC1 ZINC000062788704 527118709 /nfs/dbraw/zinc/11/87/09/527118709.db2.gz GZLYHMQJPIFKOF-UHFFFAOYSA-N 0 0 283.824 4.076 10 0 CIAERN O=Cc1ccc(F)c(-c2ccccc2C(F)(F)F)c1 ZINC000055233478 527147667 /nfs/dbraw/zinc/14/76/67/527147667.db2.gz VGERJIBKOPHDFU-UHFFFAOYSA-N 0 0 268.209 4.324 10 0 CIAERN O=C(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000049348293 527211575 /nfs/dbraw/zinc/21/15/75/527211575.db2.gz HSLGFGWUEGUWSK-UHFFFAOYSA-N 0 0 266.674 4.044 10 0 CIAERN O=C(Cc1ccc(Cl)cc1)C1(c2ccccc2)CC1 ZINC000061618130 527220934 /nfs/dbraw/zinc/22/09/34/527220934.db2.gz GSUYKWJHZZVGPY-UHFFFAOYSA-N 0 0 270.759 4.183 10 0 CIAERN O=C(Cc1ccc(F)c(Br)c1)C1CCCCC1 ZINC000049598193 527225362 /nfs/dbraw/zinc/22/53/62/527225362.db2.gz CMMZXDLKKLCNEW-UHFFFAOYSA-N 0 0 299.183 4.280 10 0 CIAERN Nc1cc(-c2cccc(OC(F)(F)F)c2)ccc1Cl ZINC000061703066 527439342 /nfs/dbraw/zinc/43/93/42/527439342.db2.gz ROSNBFDUMJLYGD-UHFFFAOYSA-N 0 0 287.668 4.488 10 0 CIAERN O[C@@H](Cc1ccc2ccccc2c1)c1cccs1 ZINC000062137179 527663832 /nfs/dbraw/zinc/66/38/32/527663832.db2.gz XVKRBHSCCRUMQS-HNNXBMFYSA-N 0 0 254.354 4.177 10 0 CIAERN O[C@@H](c1cccc(OC(F)(F)F)c1)C1CCCCC1 ZINC000061703387 527666784 /nfs/dbraw/zinc/66/67/84/527666784.db2.gz OSDLGJRANXSWDK-CYBMUJFWSA-N 0 0 274.282 4.199 10 0 CIAERN CCC(C)(C)[C@H]1CCC(=O)[C@@H](C(F)(F)F)CC1 ZINC000725256036 567915164 /nfs/dbraw/zinc/91/51/64/567915164.db2.gz PKHCMELMISHOJE-ZJUUUORDSA-N 0 0 250.304 4.360 10 0 CIAERN Cc1cc2nc(Cl)c(C=O)cc2c(C)c1Br ZINC000675051161 570363945 /nfs/dbraw/zinc/36/39/45/570363945.db2.gz BXPQWZPLJSLSKD-UHFFFAOYSA-N 0 0 298.567 4.080 10 0 CIAERN CC[C@@H](Sc1cc(Cl)cc(Cl)c1)C(C)=O ZINC000616572085 570408897 /nfs/dbraw/zinc/40/88/97/570408897.db2.gz JLAXPMDJDXEOCV-LLVKDONJSA-N 0 0 263.189 4.453 10 0 CIAERN C[C@@H]1CC[C@@](O)(c2ccc(Br)cc2)C[C@@H]1C ZINC000521401814 570340121 /nfs/dbraw/zinc/34/01/21/570340121.db2.gz QLUHOXPEOBDWGC-SUNKGSAMSA-N 0 0 283.209 4.093 10 0 CIAERN CC[C@@H](C)c1nc2c(Br)cccc2cc1O ZINC000685963142 566823832 /nfs/dbraw/zinc/82/38/32/566823832.db2.gz HNEQTPAZLRLLRP-MRVPVSSYSA-N 0 0 280.165 4.216 10 0 CIAERN CCc1nc2cc(Br)ccc2c(C)c1C ZINC000669372199 566949376 /nfs/dbraw/zinc/94/93/76/566949376.db2.gz LNXLTPBGGHDWQK-UHFFFAOYSA-N 0 0 264.166 4.177 10 0 CIAERN CCc1cc(C)nc2cc(F)c(Br)cc12 ZINC000669372254 566949284 /nfs/dbraw/zinc/94/92/84/566949284.db2.gz KZBLYDTZRMJKRQ-UHFFFAOYSA-N 0 0 268.129 4.007 10 0 CIAERN CNc1cc2nc(-c3cccc(Cl)c3)oc2c(C)c1 ZINC000226270461 566985016 /nfs/dbraw/zinc/98/50/16/566985016.db2.gz ZWGOVENBHAXNEH-UHFFFAOYSA-N 0 0 272.735 4.498 10 0 CIAERN C[C@@H]1C[C@H](C)C[C@@](O)(c2cccc(Br)c2)C1 ZINC000675060026 567023025 /nfs/dbraw/zinc/02/30/25/567023025.db2.gz ZPFKZABCXGOEHF-GNXNZQSNSA-N 0 0 283.209 4.093 10 0 CIAERN CC(C)C(=O)c1cc2ccc(Br)cc2o1 ZINC000675081276 567026684 /nfs/dbraw/zinc/02/66/84/567026684.db2.gz PHNZAGFSVMBOCG-UHFFFAOYSA-N 0 0 267.122 4.034 10 0 CIAERN CC(=O)C[C@@H](C)Sc1ccc(Cl)c(Cl)c1 ZINC000083867374 567026761 /nfs/dbraw/zinc/02/67/61/567026761.db2.gz JLEOOMWQIOPQJX-MRVPVSSYSA-N 0 0 263.189 4.453 10 0 CIAERN Clc1cccc(-n2cccc2)c1N1CCCCC1 ZINC000226245964 567039412 /nfs/dbraw/zinc/03/94/12/567039412.db2.gz ZXOSLCULTALATA-UHFFFAOYSA-N 0 0 260.768 4.121 10 0 CIAERN CCNc1ccc2nc(-c3cccc(F)c3)oc2c1 ZINC000226284256 567041045 /nfs/dbraw/zinc/04/10/45/567041045.db2.gz MLGWRBJKVLEEKM-UHFFFAOYSA-N 0 0 256.280 4.066 10 0 CIAERN CCNc1cccc(-c2nc3cc(CC)ccc3o2)c1 ZINC000226284428 567041534 /nfs/dbraw/zinc/04/15/34/567041534.db2.gz QAQAMZUNWYXRNX-UHFFFAOYSA-N 0 0 266.344 4.489 10 0 CIAERN CC[C@H](C)c1nc2cccc(Br)c2cc1O ZINC000685962971 567210564 /nfs/dbraw/zinc/21/05/64/567210564.db2.gz CFDQLWNKDXSWOX-QMMMGPOBSA-N 0 0 280.165 4.216 10 0 CIAERN CC(C)C(=O)CSc1ccc(Cl)cc1Cl ZINC000322730348 567212690 /nfs/dbraw/zinc/21/26/90/567212690.db2.gz YFSSXOUGULHECS-UHFFFAOYSA-N 0 0 263.189 4.311 10 0 CIAERN CC(C)c1ccc(NC(=S)N[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC000000117652 567818596 /nfs/dbraw/zinc/81/85/96/567818596.db2.gz OBGJFCLOSKJLBE-JGGQBBKZSA-N 0 0 286.444 4.061 10 0 CIAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC000000133224 567819880 /nfs/dbraw/zinc/81/98/80/567819880.db2.gz PPOIDZGFAOGDMF-IFIJOSMWSA-N 0 0 291.822 4.285 10 0 CIAERN O=C(CSc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000308810805 567892892 /nfs/dbraw/zinc/89/28/92/567892892.db2.gz HEYNPVPDYSPBSU-UHFFFAOYSA-N 0 0 261.173 4.065 10 0 CIAERN CC(C)(C)OC(=O)/C=C/c1ccccc1C(F)(F)F ZINC000406112518 567892757 /nfs/dbraw/zinc/89/27/57/567892757.db2.gz PHSBGJGZQKJTGR-CMDGGOBGSA-N 0 0 272.266 4.060 10 0 CIAERN COc1ccc2cc(/C=C/C(=O)OC(C)(C)C)ccc2c1 ZINC000116074418 567892809 /nfs/dbraw/zinc/89/28/09/567892809.db2.gz XUMWZLFWUBPSPD-UXBLZVDNSA-N 0 0 284.355 4.203 10 0 CIAERN COc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000073639748 567893156 /nfs/dbraw/zinc/89/31/56/567893156.db2.gz RRGVHKKIGWSEGC-UHFFFAOYSA-N 0 0 253.301 4.120 10 0 CIAERN Cc1ccc(-c2ccc(Br)cc2F)o1 ZINC000073638373 567893435 /nfs/dbraw/zinc/89/34/35/567893435.db2.gz SZWYGCBLBBJZEE-UHFFFAOYSA-N 0 0 255.086 4.157 10 0 CIAERN Fc1cc(Cl)ccc1-c1cc(Cl)cnc1F ZINC000725241345 567907781 /nfs/dbraw/zinc/90/77/81/567907781.db2.gz NHWIADUGJCARNJ-UHFFFAOYSA-N 0 0 260.070 4.334 10 0 CIAERN Cc1cc2nc(CC(C)C)nn2c(Cl)c1C(C)C ZINC000725245807 567908198 /nfs/dbraw/zinc/90/81/98/567908198.db2.gz HZDZKFBGEBADEK-UHFFFAOYSA-N 0 0 265.788 4.013 10 0 CIAERN C[Si](C)(C)CCSCc1cnn(-c2ccccc2)c1 ZINC000725245210 567908334 /nfs/dbraw/zinc/90/83/34/567908334.db2.gz FXOZDDKLXSGYPZ-UHFFFAOYSA-N 0 0 290.508 4.444 10 0 CIAERN CCC(CC)c1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246750 567908469 /nfs/dbraw/zinc/90/84/69/567908469.db2.gz VPXPOVKIZSUKAS-UHFFFAOYSA-N 0 0 265.788 4.410 10 0 CIAERN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C2CC2)cc1 ZINC000095347577 567909074 /nfs/dbraw/zinc/90/90/74/567909074.db2.gz OOLVDDHJQZDXQB-NSHDSACASA-N 0 0 261.365 4.150 10 0 CIAERN FC(F)(F)C(F)(F)CCCOc1ccccc1 ZINC000098210646 567911680 /nfs/dbraw/zinc/91/16/80/567911680.db2.gz SIMHBRRKMSIUCK-UHFFFAOYSA-N 0 0 254.198 4.043 10 0 CIAERN CCCCO[C@H](C)OCCCC(F)(F)C(F)(F)F ZINC000098210581 567911682 /nfs/dbraw/zinc/91/16/82/567911682.db2.gz GHGUMHFLJSUIGC-VIFPVBQESA-N 0 0 278.261 4.144 10 0 CIAERN CC(=O)c1cccc(-c2ccc([C@@H]3CCO3)cc2)c1 ZINC000725265129 567923212 /nfs/dbraw/zinc/92/32/12/567923212.db2.gz IAIGYXBHKHXTKB-KRWDZBQOSA-N 0 0 252.313 4.018 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2ccc(F)cc2F)n1 ZINC000725271180 567924741 /nfs/dbraw/zinc/92/47/41/567924741.db2.gz YXHQIAOPPNMCCW-UHFFFAOYSA-N 0 0 272.245 4.347 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2cc(F)cc(F)c2)n1 ZINC000725270483 567924781 /nfs/dbraw/zinc/92/47/81/567924781.db2.gz OSQBPEFKIQIXQI-UHFFFAOYSA-N 0 0 272.245 4.347 10 0 CIAERN Fc1cccc(-c2c(F)cccc2Br)c1 ZINC000149591330 567931796 /nfs/dbraw/zinc/93/17/96/567931796.db2.gz CSFQWNRVYPNVBK-UHFFFAOYSA-N 0 0 269.088 4.394 10 0 CIAERN Clc1nsc(SCc2ccc(Cl)cc2)n1 ZINC000216712235 567947865 /nfs/dbraw/zinc/94/78/65/567947865.db2.gz ADLXFXVFOMPIQP-UHFFFAOYSA-N 0 0 277.201 4.137 10 0 CIAERN CC(C)(C)OC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000039378582 570249288 /nfs/dbraw/zinc/24/92/88/570249288.db2.gz OBUHQRFCKHRALT-BQYQJAHWSA-N 0 0 273.159 4.348 10 0 CIAERN Nc1c(F)ccc(-c2ccccc2C(F)F)c1F ZINC000675056500 570364338 /nfs/dbraw/zinc/36/43/38/570364338.db2.gz KZEAOEHYQSHHGX-UHFFFAOYSA-N 0 0 255.214 4.152 10 0 CIAERN CCC1(C)CCN(c2cc(C)c(C=O)cc2C)CC1 ZINC000675075495 570368026 /nfs/dbraw/zinc/36/80/26/570368026.db2.gz QBMXRBCWPXGPFQ-UHFFFAOYSA-N 0 0 259.393 4.132 10 0 CIAERN CC[C@H](C)C(=O)c1cc2c(cccc2Br)o1 ZINC000675081045 570368818 /nfs/dbraw/zinc/36/88/18/570368818.db2.gz DOGCGWBIHXTPIP-QMMMGPOBSA-N 0 0 281.149 4.424 10 0 CIAERN FC(F)(F)CNc1cc(Cl)ccc1Br ZINC000088123027 570370023 /nfs/dbraw/zinc/37/00/23/570370023.db2.gz VYOKPXSUXFMFPH-UHFFFAOYSA-N 0 0 288.494 4.077 10 0 CIAERN CCc1c(Cl)nc(C(Cl)(Cl)Cl)nc1Cl ZINC000685959340 570406648 /nfs/dbraw/zinc/40/66/48/570406648.db2.gz MWWWJVJZZBCCDD-UHFFFAOYSA-N 0 0 294.396 4.173 10 0 CIAERN Clc1nc(C(Cl)(Cl)Cl)nc2sccc21 ZINC000685959304 570406621 /nfs/dbraw/zinc/40/66/21/570406621.db2.gz MLBWZZBVQRADBZ-UHFFFAOYSA-N 0 0 287.986 4.171 10 0 CIAERN Fc1ccc(-c2ncn(C3CC3)c2-c2ccncc2)cc1 ZINC000003815718 581098404 /nfs/dbraw/zinc/09/84/04/581098404.db2.gz VXSHGJJXHHEQII-UHFFFAOYSA-N 0 0 279.318 4.086 10 0 CIAERN Oc1ccc(CC2CCCCC2)c(Br)c1 ZINC000095722289 185019648 /nfs/dbraw/zinc/01/96/48/185019648.db2.gz YYRSNZCGQDIOHE-UHFFFAOYSA-N 0 0 269.182 4.278 10 0 CIAERN CCNc1cc(C)nc2c(Cl)cc(Br)cc12 ZINC000082441540 178021290 /nfs/dbraw/zinc/02/12/90/178021290.db2.gz AVJHXLCQFIXJQG-UHFFFAOYSA-N 0 0 299.599 4.391 10 0 CIAERN CC(C)c1c(Br)cccc1OC1CC1 ZINC000095723976 185020756 /nfs/dbraw/zinc/02/07/56/185020756.db2.gz NFKNMXGPHGNHGT-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN CC(C)(C)Oc1cccc(OC2CC2)c1Br ZINC000095725279 185020841 /nfs/dbraw/zinc/02/08/41/185020841.db2.gz WXPABEFTBNUSQL-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN CC(C)(C)Oc1ccc(OC2CC2)c(Br)c1 ZINC000095724893 185021069 /nfs/dbraw/zinc/02/10/69/185021069.db2.gz ZTROSRYIMCQPAX-UHFFFAOYSA-N 0 0 285.181 4.168 10 0 CIAERN FC(F)(F)c1ccc(OC2CC2)c(Br)c1 ZINC000095733903 185022841 /nfs/dbraw/zinc/02/28/41/185022841.db2.gz FYCNOWBDZJFXGL-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN Cc1cc(F)cc(-c2csc(Br)n2)c1 ZINC000095751644 185025654 /nfs/dbraw/zinc/02/56/54/185025654.db2.gz UWBQDPGQOWEFCF-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN Clc1ccc2oc3c(nc(Cl)nc3Cl)c2c1 ZINC000095761806 185026316 /nfs/dbraw/zinc/02/63/16/185026316.db2.gz HLHAHILPKRWJRV-UHFFFAOYSA-N 0 0 273.506 4.336 10 0 CIAERN CCCCCCNc1cc(Cl)nc(C(C)C)n1 ZINC000082509559 178076097 /nfs/dbraw/zinc/07/60/97/178076097.db2.gz BXIOEDVTXUGPMA-UHFFFAOYSA-N 0 0 255.793 4.246 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509700 178076271 /nfs/dbraw/zinc/07/62/71/178076271.db2.gz BZZBWUKCRYBIIO-MNOVXSKESA-N 0 0 281.831 4.418 10 0 CIAERN CCc1nc(Cl)cc(NC(C)(C)CC(C)(C)C)n1 ZINC000082509506 178076387 /nfs/dbraw/zinc/07/63/87/178076387.db2.gz APCGRXFSWJUMGC-UHFFFAOYSA-N 0 0 269.820 4.319 10 0 CIAERN CCCc1nc(Cl)cc(N[C@H]2CCCC[C@@H]2C)n1 ZINC000082509763 178076623 /nfs/dbraw/zinc/07/66/23/178076623.db2.gz WLQBDFALTHDWNN-QWRGUYRKSA-N 0 0 267.804 4.073 10 0 CIAERN O=Cc1ccc(C(F)(F)F)cc1OCc1ccccc1 ZINC000095830243 185029245 /nfs/dbraw/zinc/02/92/45/185029245.db2.gz PFWAVEBWNHDPIZ-UHFFFAOYSA-N 0 0 280.245 4.097 10 0 CIAERN Cc1cc(Cl)ccc1Nc1ncc(N)cc1Cl ZINC000082574172 178114497 /nfs/dbraw/zinc/11/44/97/178114497.db2.gz HNOPRIAQASYROM-UHFFFAOYSA-N 0 0 268.147 4.023 10 0 CIAERN Cc1ccc(OC(=S)c2cc(Cl)cnc2Cl)cc1 ZINC000095932839 185032595 /nfs/dbraw/zinc/03/25/95/185032595.db2.gz AEJISWBOSCKKGF-UHFFFAOYSA-N 0 0 298.194 4.451 10 0 CIAERN Cn1cc2c(c1)c(-c1ccccc1)nc1ccccc21 ZINC000095935219 185033276 /nfs/dbraw/zinc/03/32/76/185033276.db2.gz PJAFGFUNJZBDRC-UHFFFAOYSA-N 0 0 258.324 4.394 10 0 CIAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000095938842 185034782 /nfs/dbraw/zinc/03/47/82/185034782.db2.gz WCSAPFKNZJRSPC-ALCCZGGFSA-N 0 0 284.186 4.019 10 0 CIAERN Cc1cccc(COc2nccc3sccc32)c1 ZINC000095940380 185035845 /nfs/dbraw/zinc/03/58/45/185035845.db2.gz GCCCNJGUWYHPIA-UHFFFAOYSA-N 0 0 255.342 4.184 10 0 CIAERN COC(=O)c1c(C)cccc1Oc1ccc(Cl)cc1 ZINC000096032517 185068551 /nfs/dbraw/zinc/06/85/51/185068551.db2.gz PBJWZZYDWPFJKZ-UHFFFAOYSA-N 0 0 276.719 4.227 10 0 CIAERN CCC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000082709060 178218763 /nfs/dbraw/zinc/21/87/63/178218763.db2.gz YOSZTMPXCYZELV-UHFFFAOYSA-N 0 0 261.324 4.495 10 0 CIAERN Cc1cc(Br)c2nc(Cl)cc(C)c2c1 ZINC000082788530 178293352 /nfs/dbraw/zinc/29/33/52/178293352.db2.gz KJNYNJGGRMDWDD-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN Cc1ccc(NCc2cc(F)c(F)cc2F)cc1 ZINC000083384358 178389128 /nfs/dbraw/zinc/38/91/28/178389128.db2.gz BVHNXWSKEZGOPJ-UHFFFAOYSA-N 0 0 251.251 4.024 10 0 CIAERN CCc1cccc(CC)c1NCc1ccc(O)cc1 ZINC000083411309 178419049 /nfs/dbraw/zinc/41/90/49/178419049.db2.gz FOZVYYVHSKPYRJ-UHFFFAOYSA-N 0 0 255.361 4.129 10 0 CIAERN Cc1ccc2c(c1)/C(=C\c1ccc(Cl)cc1)C(=O)N2 ZINC000096892610 185124708 /nfs/dbraw/zinc/12/47/08/185124708.db2.gz VFDORJFEVMRNJS-NTEUORMPSA-N 0 0 269.731 4.141 10 0 CIAERN CC(C)CCNc1ccc(Br)c(F)c1 ZINC000083433522 178448020 /nfs/dbraw/zinc/44/80/20/178448020.db2.gz RUVNKFHAOPUCPF-UHFFFAOYSA-N 0 0 260.150 4.046 10 0 CIAERN Cc1ccc(C)c(CNc2cnc(Cl)c(C)c2)c1 ZINC000083442649 178456399 /nfs/dbraw/zinc/45/63/99/178456399.db2.gz PBATUMNDFHYXPE-UHFFFAOYSA-N 0 0 260.768 4.272 10 0 CIAERN Cc1ccsc1C(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000000999910 136393327 /nfs/dbraw/zinc/39/33/27/136393327.db2.gz LQPLCMYJUICZAY-NSHDSACASA-N 0 0 289.375 4.177 10 0 CIAERN Cc1ccc([C@H]2C=C(Cl)c3ccccc3N2C=O)cc1 ZINC000098179235 136523646 /nfs/dbraw/zinc/52/36/46/136523646.db2.gz MBDSIYAVWAFKCF-QGZVFWFLSA-N 0 0 283.758 4.292 10 0 CIAERN COc1ccc(-c2[nH]nc3c2cnc2ccc(C)cc32)cc1 ZINC000085345584 179028082 /nfs/dbraw/zinc/02/80/82/179028082.db2.gz SFWZDXCYLOIAHV-UHFFFAOYSA-N 0 0 289.338 4.095 10 0 CIAERN CCc1ccc2ncc3c(n[nH]c3-c3ccccc3)c2c1 ZINC000085345616 179028345 /nfs/dbraw/zinc/02/83/45/179028345.db2.gz ISVSXWOSFYGDAO-UHFFFAOYSA-N 0 0 273.339 4.341 10 0 CIAERN Cc1cc2sc(-c3ccccc3N)nc2c(C)c1 ZINC000085345560 179028412 /nfs/dbraw/zinc/02/84/12/179028412.db2.gz QVFIVDSKJQDMRR-UHFFFAOYSA-N 0 0 254.358 4.162 10 0 CIAERN CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC(=O)c2ccc(F)cc2)C1 ZINC000085347819 179029180 /nfs/dbraw/zinc/02/91/80/179029180.db2.gz SWYIVPYMTHOHRT-ZIAGYGMSSA-N 0 0 290.378 4.430 10 0 CIAERN FC(F)(F)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000098091167 185686722 /nfs/dbraw/zinc/68/67/22/185686722.db2.gz KJTTXTPFMGWOCS-IUCAKERBSA-N 0 0 265.072 4.115 10 0 CIAERN Cc1ccc([C@@H]2CC(=O)c3cc(Cl)ccc32)cc1 ZINC000098178977 185698783 /nfs/dbraw/zinc/69/87/83/185698783.db2.gz SSFBBNNUFIUNDK-AWEZNQCLSA-N 0 0 256.732 4.367 10 0 CIAERN Cc1cc(Cl)cc2nnc(-c3ccccc3Cl)n21 ZINC000098180246 185699041 /nfs/dbraw/zinc/69/90/41/185699041.db2.gz ZWJGWLDTXFSNEC-UHFFFAOYSA-N 0 0 278.142 4.012 10 0 CIAERN O=C1C[C@H](c2c(F)cccc2Cl)Oc2ccccc21 ZINC000103169431 185813289 /nfs/dbraw/zinc/81/32/89/185813289.db2.gz YZARVJUJGRGNDD-CQSZACIVSA-N 0 0 276.694 4.186 10 0 CIAERN CCC[C@@H](C)C[C@@H](O)Cc1ccc(F)cc1Cl ZINC000103939455 185865051 /nfs/dbraw/zinc/86/50/51/185865051.db2.gz ASMWHCUUCDJNNI-ZWNOBZJWSA-N 0 0 258.764 4.209 10 0 CIAERN Cc1cc(C)c(C[C@@H](O)C2CCC(C)CC2)c(C)c1 ZINC000103949729 185866238 /nfs/dbraw/zinc/86/62/38/185866238.db2.gz VGGKDWDRHMDQQZ-WBAAUIMVSA-N 0 0 260.421 4.342 10 0 CIAERN C[C@H]1CCCC[C@@H]1Oc1nc(Cl)nc2ccccc21 ZINC000104006598 185880949 /nfs/dbraw/zinc/88/09/49/185880949.db2.gz ZLBBSAZVZMOWAU-GWCFXTLKSA-N 0 0 276.767 4.241 10 0 CIAERN C[C@H]1CCCC[C@H]1Oc1nc(Cl)nc2ccccc21 ZINC000104006603 185881022 /nfs/dbraw/zinc/88/10/22/185881022.db2.gz ZLBBSAZVZMOWAU-GXFFZTMASA-N 0 0 276.767 4.241 10 0 CIAERN CCc1c(Cl)nc(-c2cc(C)c(O)c(C)c2)nc1Cl ZINC000104144663 185911858 /nfs/dbraw/zinc/91/18/58/185911858.db2.gz FHEBIKWEQIFMIB-UHFFFAOYSA-N 0 0 297.185 4.335 10 0 CIAERN CCc1c(C)nc2c(OC)ccc(Cl)c2c1Cl ZINC000104150682 185912614 /nfs/dbraw/zinc/91/26/14/185912614.db2.gz XRMUGDHTIAXSIM-UHFFFAOYSA-N 0 0 270.159 4.421 10 0 CIAERN C[C@H]1CCCC[C@H]1n1c2cc(F)ccc2[nH]c1=S ZINC000104160311 185914237 /nfs/dbraw/zinc/91/42/37/185914237.db2.gz RAKQKFCZODGQCI-JOYOIKCWSA-N 0 0 264.369 4.215 10 0 CIAERN FC(F)(F)c1cccc(NCCC2CCCCC2)n1 ZINC000104168659 185915980 /nfs/dbraw/zinc/91/59/80/185915980.db2.gz KWMWGOCFYYGCNE-UHFFFAOYSA-N 0 0 272.314 4.483 10 0 CIAERN CC(C)CNc1cc(-c2cc(Cl)ccc2Cl)[nH]n1 ZINC000104171930 185916429 /nfs/dbraw/zinc/91/64/29/185916429.db2.gz LPLLQSIRDSKSRR-UHFFFAOYSA-N 0 0 284.190 4.451 10 0 CIAERN CCN(c1ccccc1F)c1cccc(Cl)c1C=O ZINC000104174869 185917435 /nfs/dbraw/zinc/91/74/35/185917435.db2.gz KNDGBXZJILZPFF-UHFFFAOYSA-N 0 0 277.726 4.450 10 0 CIAERN CCC1CCC(N(C)c2ccc(F)cc2C=O)CC1 ZINC000104185667 185919051 /nfs/dbraw/zinc/91/90/51/185919051.db2.gz DUFQZLWEKVQUPM-UHFFFAOYSA-N 0 0 263.356 4.043 10 0 CIAERN CCCc1c(Cl)ncnc1Oc1cccc(F)c1F ZINC000104206961 185930769 /nfs/dbraw/zinc/93/07/69/185930769.db2.gz CHBUINHZALYIMF-UHFFFAOYSA-N 0 0 284.693 4.153 10 0 CIAERN COc1ccc(Nc2ncnc(Cl)c2C(C)C)cc1 ZINC000104208659 185932146 /nfs/dbraw/zinc/93/21/46/185932146.db2.gz FEENSIZSCBAIQI-UHFFFAOYSA-N 0 0 277.755 4.006 10 0 CIAERN O[C@H](Cc1csc2ccccc12)c1ccccc1 ZINC000104211169 185932757 /nfs/dbraw/zinc/93/27/57/185932757.db2.gz KRICCVPCLGJATA-OAHLLOKOSA-N 0 0 254.354 4.177 10 0 CIAERN COc1cc(Oc2ccccc2C(C)C)ccc1N ZINC000104232605 185938292 /nfs/dbraw/zinc/93/82/92/185938292.db2.gz IWCQSNZLJYWJGV-UHFFFAOYSA-N 0 0 257.333 4.193 10 0 CIAERN COc1cc(Nc2cc(Cl)ccc2Cl)ccc1N ZINC000104243098 185941340 /nfs/dbraw/zinc/94/13/40/185941340.db2.gz IUCXKILYHLCGIA-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN C[C@H](O)c1ccccc1Sc1cc(F)ccc1F ZINC000104285236 185955428 /nfs/dbraw/zinc/95/54/28/185955428.db2.gz RUMNDDLAHKGQDB-VIFPVBQESA-N 0 0 266.312 4.169 10 0 CIAERN OCc1c(Cl)cccc1Sc1cc(F)ccc1F ZINC000104284034 185955443 /nfs/dbraw/zinc/95/54/43/185955443.db2.gz MYJUFYJBLBTCEP-UHFFFAOYSA-N 0 0 286.730 4.262 10 0 CIAERN C[C@H](O)c1ccccc1Sc1nc2ccccc2o1 ZINC000104283999 185955479 /nfs/dbraw/zinc/95/54/79/185955479.db2.gz BMANBCMUOYQFOC-JTQLQIEISA-N 0 0 271.341 4.032 10 0 CIAERN Cc1ccc(C)c(Sc2c(F)cc(CO)cc2F)c1 ZINC000104289948 185957205 /nfs/dbraw/zinc/95/72/05/185957205.db2.gz NPJUMGNBBHIGHO-UHFFFAOYSA-N 0 0 280.339 4.225 10 0 CIAERN Clc1ccc(COc2cccn3ccnc23)cc1Cl ZINC000089201491 179753041 /nfs/dbraw/zinc/75/30/41/179753041.db2.gz UFBSVXNPIXXECL-UHFFFAOYSA-N 0 0 293.153 4.220 10 0 CIAERN O=C(C[C@H]1CCCc2ccccc21)c1cccs1 ZINC000104323574 185969125 /nfs/dbraw/zinc/96/91/25/185969125.db2.gz HPEMTTUQZSWYRV-CYBMUJFWSA-N 0 0 256.370 4.441 10 0 CIAERN C[C@@H](OCc1c(N)cccc1Cl)c1ccccc1 ZINC000104317541 185966863 /nfs/dbraw/zinc/96/68/63/185966863.db2.gz OQTHBTFTDUFMIE-LLVKDONJSA-N 0 0 261.752 4.200 10 0 CIAERN Cc1ccc(CNc2ccc(C)c(O)c2C)cc1F ZINC000104335471 185973527 /nfs/dbraw/zinc/97/35/27/185973527.db2.gz UFMHWVSBSZGNAL-UHFFFAOYSA-N 0 0 259.324 4.069 10 0 CIAERN CC[C@@H](O)c1ccc(O[C@@H]2CCCC[C@H]2CC)cc1 ZINC000104385120 185988412 /nfs/dbraw/zinc/98/84/12/185988412.db2.gz PXAZJVPBJLEITK-KBRIMQKVSA-N 0 0 262.393 4.478 10 0 CIAERN Fc1ccc(C[C@H]2CCNc3ccccc32)c(F)c1 ZINC000104389030 185989626 /nfs/dbraw/zinc/98/96/26/185989626.db2.gz BIRJYLOGRJDDLY-LLVKDONJSA-N 0 0 259.299 4.107 10 0 CIAERN CCc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000090415626 179983054 /nfs/dbraw/zinc/98/30/54/179983054.db2.gz XTTYKYIYVGMBEH-UHFFFAOYSA-N 0 0 250.297 4.022 10 0 CIAERN COC1CC(C)(C)N(O[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000090516560 179996468 /nfs/dbraw/zinc/99/64/68/179996468.db2.gz GVEOVRNYYWAAGX-AWEZNQCLSA-N 0 0 291.435 4.347 10 0 CIAERN CCN(CC1CCCC1)c1nc2ccccc2cc1C=O ZINC000090450296 179987164 /nfs/dbraw/zinc/98/71/64/179987164.db2.gz KYZDVSZQNPZLPM-UHFFFAOYSA-N 0 0 282.387 4.064 10 0 CIAERN CC(C)(C)c1cc(CO)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000090727602 180032979 /nfs/dbraw/zinc/03/29/79/180032979.db2.gz MDKVUHNOAHQRLK-GOSISDBHSA-N 0 0 298.382 4.084 10 0 CIAERN c1ccc(-n2c3ccccc3nc2-c2ccccn2)cc1 ZINC000090751881 180036552 /nfs/dbraw/zinc/03/65/52/180036552.db2.gz GOLYMOSSZYESCU-UHFFFAOYSA-N 0 0 271.323 4.088 10 0 CIAERN Nc1cc2c(c(Cl)c1Cl)C(=O)[C@H](C1CCCC1)C2 ZINC000091366347 180143107 /nfs/dbraw/zinc/14/31/07/180143107.db2.gz YHTFFQFTXSCVOK-VIFPVBQESA-N 0 0 284.186 4.121 10 0 CIAERN C[C@@]1(c2ccc(F)cc2)CCc2c1nc(Cl)nc2Cl ZINC000091691410 180227686 /nfs/dbraw/zinc/22/76/86/180227686.db2.gz UIZISHZMFCCGIR-AWEZNQCLSA-N 0 0 297.160 4.175 10 0 CIAERN CCCCc1ccc([C@@H](O)c2cccc(C)c2)cc1 ZINC000109787073 186271716 /nfs/dbraw/zinc/27/17/16/186271716.db2.gz CCBPXCKNMJCLNS-GOSISDBHSA-N 0 0 254.373 4.419 10 0 CIAERN CCCc1cc(NCC)nc(-c2cc(C)sc2C)n1 ZINC000110107261 186285346 /nfs/dbraw/zinc/28/53/46/186285346.db2.gz PADYERVEFWGRQD-UHFFFAOYSA-N 0 0 275.421 4.206 10 0 CIAERN CCNc1nc(-c2ccc(Cl)cc2)nc(C)c1CC ZINC000110104297 186286114 /nfs/dbraw/zinc/28/61/14/186286114.db2.gz AJXPRKGIFVUSLS-UHFFFAOYSA-N 0 0 275.783 4.100 10 0 CIAERN CCCNc1nc(-c2ccsc2)nc(C)c1C(C)C ZINC000110448734 186297621 /nfs/dbraw/zinc/29/76/21/186297621.db2.gz WJJMVVZIPFJCSA-UHFFFAOYSA-N 0 0 275.421 4.459 10 0 CIAERN Cc1cccc(C(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000158682319 188388996 /nfs/dbraw/zinc/38/89/96/188388996.db2.gz GYNCESVBUSSYHJ-UHFFFAOYSA-N 0 0 272.347 4.478 10 0 CIAERN O[C@@H](c1ccc(F)cc1)c1ccc2c3c(cccc31)CC2 ZINC000158882667 188398538 /nfs/dbraw/zinc/39/85/38/188398538.db2.gz MKDKTIISLSEACS-IBGZPJMESA-N 0 0 278.326 4.159 10 0 CIAERN CCNc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000226284437 189771438 /nfs/dbraw/zinc/77/14/38/189771438.db2.gz IUZYOWGEIVDPFH-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN Nc1ccc(C(=O)c2ccc3c(c2)oc2ccccc23)cc1 ZINC000226296942 189771951 /nfs/dbraw/zinc/77/19/51/189771951.db2.gz RDWNFRJERBRFSH-UHFFFAOYSA-N 0 0 287.318 4.399 10 0 CIAERN CC(=O)c1cc2ccc(C(F)(F)F)cc2nc1Cl ZINC000261509081 190040871 /nfs/dbraw/zinc/04/08/71/190040871.db2.gz ZQYXKHXAYZSZAO-UHFFFAOYSA-N 0 0 273.641 4.110 10 0 CIAERN CC1(C)C[C@@](C)(c2ccccc2O)Oc2ccccc21 ZINC000000347957 169613839 /nfs/dbraw/zinc/61/38/39/169613839.db2.gz DCXUDDFJZAJGAG-SFHVURJKSA-N 0 0 268.356 4.368 10 0 CIAERN C[C@@H](Nc1ccc(Cl)nn1)C12CC3CC(CC(C3)C1)C2 ZINC000020022591 184535386 /nfs/dbraw/zinc/53/53/86/184535386.db2.gz ATEUIUCUQQTUNC-GYPVXTSCSA-N 0 0 291.826 4.147 10 0 CIAERN CCN(c1ccccc1)c1ncccc1Br ZINC000042376186 184553575 /nfs/dbraw/zinc/55/35/75/184553575.db2.gz AORBOQVAIAPWMO-UHFFFAOYSA-N 0 0 277.165 4.002 10 0 CIAERN CCCCN(C(=O)C1CCCCCC1)c1nc(C)co1 ZINC000039246380 184545077 /nfs/dbraw/zinc/54/50/77/184545077.db2.gz DUZJWTFIQCWMSD-UHFFFAOYSA-N 0 0 278.396 4.087 10 0 CIAERN CC(C)N(Cc1ccc(Br)cc1)C(F)(F)F ZINC000095088100 184938871 /nfs/dbraw/zinc/93/88/71/184938871.db2.gz LBBBUXZTYCEQGI-UHFFFAOYSA-N 0 0 296.130 4.179 10 0 CIAERN CC(C)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000095088381 184939175 /nfs/dbraw/zinc/93/91/75/184939175.db2.gz WQYGGNHTAKQOFI-UHFFFAOYSA-N 0 0 277.371 4.360 10 0 CIAERN CC(C)(C)c1cc2cc(Br)ccc2[nH]1 ZINC000001517906 169711065 /nfs/dbraw/zinc/71/10/65/169711065.db2.gz QBRGPQFMDNYEFQ-UHFFFAOYSA-N 0 0 252.155 4.228 10 0 CIAERN C[C@@H](NC(=O)c1ccoc1Cl)c1ccc(Cl)s1 ZINC000192395094 533309096 /nfs/dbraw/zinc/30/90/96/533309096.db2.gz FLOFRNWKLNMJIX-ZCFIWIBFSA-N 0 0 290.171 4.139 10 0 CIAERN CC(=O)c1cc(F)ccc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000035164291 134789087 /nfs/dbraw/zinc/78/90/87/134789087.db2.gz SYWGUDDAFJCXNF-CJNGLKHVSA-N 0 0 275.367 4.187 10 0 CIAERN CCCNc1nnc(-c2ccccc2)c2ccccc21 ZINC000003616915 169903299 /nfs/dbraw/zinc/90/32/99/169903299.db2.gz IYVBAXDFYJYFLU-UHFFFAOYSA-N 0 0 263.344 4.119 10 0 CIAERN Nc1ccc(/C=C/c2ccc(N)c(Cl)c2)cc1Cl ZINC000003643413 169905219 /nfs/dbraw/zinc/90/52/19/169905219.db2.gz YLAMHWHRIKDACL-OWOJBTEDSA-N 0 0 279.170 4.328 10 0 CIAERN CCOc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1 ZINC000004961199 170045572 /nfs/dbraw/zinc/04/55/72/170045572.db2.gz AQBCEOXRHVUIOL-UHFFFAOYSA-N 0 0 294.354 4.391 10 0 CIAERN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000005187204 170074794 /nfs/dbraw/zinc/07/47/94/170074794.db2.gz JUYQSSPUXQWNFW-KRWDZBQOSA-N 0 0 298.773 4.038 10 0 CIAERN C[C@@]12CCc3occc3[C@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000005260737 170080942 /nfs/dbraw/zinc/08/09/42/170080942.db2.gz DDWYTNONBBOFFA-ZOOFZWQKSA-N 0 0 284.399 4.485 10 0 CIAERN c1ccc2oc(C34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000005280522 170082531 /nfs/dbraw/zinc/08/25/31/170082531.db2.gz LHARCASFSXFKGZ-UHFFFAOYSA-N 0 0 253.345 4.296 10 0 CIAERN CCCCc1ccccc1C(=O)Nc1ccccc1 ZINC000005310413 170084869 /nfs/dbraw/zinc/08/48/69/170084869.db2.gz CKZOICVHFAAWSF-UHFFFAOYSA-N 0 0 253.345 4.282 10 0 CIAERN CCCC[C@@H](C(=O)NC(C)(C)C)c1cc2ccccc2[nH]1 ZINC000005310061 170084925 /nfs/dbraw/zinc/08/49/25/170084925.db2.gz XPNLABZNUWSQCI-CQSZACIVSA-N 0 0 286.419 4.356 10 0 CIAERN CCO[C@@H]1CC[C@H]2C=C(C)C=C(C(C)(C)C)[C@@H]2O1 ZINC000005334996 170086915 /nfs/dbraw/zinc/08/69/15/170086915.db2.gz SWVDWPZEYLZLIY-AEGPPILISA-N 0 0 250.382 4.077 10 0 CIAERN S=C(Nc1cccc2ccccc21)N1CCCCCC1 ZINC000005338625 170087401 /nfs/dbraw/zinc/08/74/01/170087401.db2.gz ICWAFXBQFCBZTE-UHFFFAOYSA-N 0 0 284.428 4.413 10 0 CIAERN Cc1ccc([C@@H](Cc2ccccc2)Nc2ncccn2)cc1 ZINC000005416178 170096308 /nfs/dbraw/zinc/09/63/08/170096308.db2.gz JQJQKTLOEYSDQO-GOSISDBHSA-N 0 0 289.382 4.181 10 0 CIAERN Cc1ccc([C@H](Cc2ccccc2)Nc2ncccn2)cc1 ZINC000005416544 170096497 /nfs/dbraw/zinc/09/64/97/170096497.db2.gz JQJQKTLOEYSDQO-SFHVURJKSA-N 0 0 289.382 4.181 10 0 CIAERN CC[C@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000005476861 170103129 /nfs/dbraw/zinc/10/31/29/170103129.db2.gz GCGVPKQODYKRSQ-FEAKQIBJSA-N 0 0 277.795 4.144 10 0 CIAERN Cc1c[nH]c2nc(-c3cccc4ccccc43)cc(=O)c-2c1 ZINC000005503960 170105394 /nfs/dbraw/zinc/10/53/94/170105394.db2.gz KBQRHVUXLRZRAC-UHFFFAOYSA-N 0 0 286.334 4.052 10 0 CIAERN C[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1 ZINC000005528961 170109092 /nfs/dbraw/zinc/10/90/92/170109092.db2.gz WXKAXZKHDLTINQ-OCHBPSSRSA-N 0 0 285.774 4.231 10 0 CIAERN CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000005529511 170109414 /nfs/dbraw/zinc/10/94/14/170109414.db2.gz LVQICQRYXCFQHA-MOVUHUBBSA-N 0 0 285.431 4.328 10 0 CIAERN CCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000005547700 170111617 /nfs/dbraw/zinc/11/16/17/170111617.db2.gz 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258.386 4.075 10 0 CIAERN CCCCc1ccc(NC(=S)Nc2cc(C)on2)cc1 ZINC000006629391 170220373 /nfs/dbraw/zinc/22/03/73/170220373.db2.gz RNUCYWLXURLTCR-UHFFFAOYSA-N 0 0 289.404 4.135 10 0 CIAERN Cc1ccc(NCc2c[nH]c3ccccc23)c(C)c1 ZINC000006727412 170233872 /nfs/dbraw/zinc/23/38/72/170233872.db2.gz REODHUHYUUPLMM-UHFFFAOYSA-N 0 0 250.345 4.397 10 0 CIAERN CC(C)C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000006762112 170241747 /nfs/dbraw/zinc/24/17/47/170241747.db2.gz BUFHMXOHXTZRDH-UHFFFAOYSA-N 0 0 251.414 4.136 10 0 CIAERN CCc1nc2cc(Cl)ccc2c(NCc2ccccc2)n1 ZINC000006773720 170242543 /nfs/dbraw/zinc/24/25/43/170242543.db2.gz ZSANVCDNDPRIHR-UHFFFAOYSA-N 0 0 297.789 4.458 10 0 CIAERN O=Cc1c2cc(C(F)(F)F)ccc2[nH]c1-c1cccnc1 ZINC000006815857 170245964 /nfs/dbraw/zinc/24/59/64/170245964.db2.gz NYLGCBGQWBWJQE-UHFFFAOYSA-N 0 0 290.244 4.061 10 0 CIAERN COc1ccc(C(=O)[C@H](C)Sc2ccc(C)cc2)cc1 ZINC000006814810 170246091 /nfs/dbraw/zinc/24/60/91/170246091.db2.gz NPUJLKYURKSOOV-ZDUSSCGKSA-N 0 0 286.396 4.367 10 0 CIAERN COc1ccc(Nc2nc3ccccc3n2C(C)C)cc1 ZINC000006855771 170249570 /nfs/dbraw/zinc/24/95/70/170249570.db2.gz PYRKRRAGDLPVEE-UHFFFAOYSA-N 0 0 281.359 4.369 10 0 CIAERN CCN(CC)c1ccc(C=O)c(OCc2ccccc2C)c1 ZINC000006869631 170251420 /nfs/dbraw/zinc/25/14/20/170251420.db2.gz LRJBPYXYBYPZTJ-UHFFFAOYSA-N 0 0 297.398 4.233 10 0 CIAERN CC(C)CN(CC(C)C)C(=O)c1ccnc(C(C)(C)C)c1 ZINC000006883471 170252648 /nfs/dbraw/zinc/25/26/48/170252648.db2.gz FFUJKROAXVUKHK-UHFFFAOYSA-N 0 0 290.451 4.133 10 0 CIAERN CC(C)(C)OC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000006882787 170252962 /nfs/dbraw/zinc/25/29/62/170252962.db2.gz JHYKLFQMOHYMDG-UHFFFAOYSA-N 0 0 297.354 4.265 10 0 CIAERN Cc1cccc(C(C)C)c1NC(=S)NCc1ccco1 ZINC000006968480 170259717 /nfs/dbraw/zinc/25/97/17/170259717.db2.gz SFANMDRJTXSLQR-UHFFFAOYSA-N 0 0 288.416 4.198 10 0 CIAERN CCCCCC(=O)NC(=S)Nc1c(C)cc(C)cc1C ZINC000007445562 170285109 /nfs/dbraw/zinc/28/51/09/170285109.db2.gz LMWDXTKDVMARKN-UHFFFAOYSA-N 0 0 292.448 4.005 10 0 CIAERN CCCCn1c(-c2nnc(CC)o2)cc2ccccc21 ZINC000007451927 170286098 /nfs/dbraw/zinc/28/60/98/170286098.db2.gz JJWODIOOSPUCQR-UHFFFAOYSA-N 0 0 269.348 4.054 10 0 CIAERN CCCCOc1ccc(Cn2cnc3ccccc32)cc1 ZINC000007542355 170290071 /nfs/dbraw/zinc/29/00/71/170290071.db2.gz BONCAUXTKHDNRW-UHFFFAOYSA-N 0 0 280.371 4.264 10 0 CIAERN Cc1ccc(NC(=O)/C=C/c2ccccc2C)c(C)c1 ZINC000007610169 170293767 /nfs/dbraw/zinc/29/37/67/170293767.db2.gz UPJWQBFDPLNMBB-PKNBQFBNSA-N 0 0 265.356 4.264 10 0 CIAERN Cc1cccc(NC(=O)/C=C/c2ccccc2C)c1C ZINC000007610021 170293828 /nfs/dbraw/zinc/29/38/28/170293828.db2.gz QXHINBYTACLWPF-VAWYXSNFSA-N 0 0 265.356 4.264 10 0 CIAERN CCCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000007723604 170299146 /nfs/dbraw/zinc/29/91/46/170299146.db2.gz LQESKESNHISPKG-UHFFFAOYSA-N 0 0 274.389 4.166 10 0 CIAERN CCOc1ccc(-c2csc(NC(C)(C)C)n2)cc1 ZINC000007844554 170304879 /nfs/dbraw/zinc/30/48/79/170304879.db2.gz DBRRVNZZHOGTDU-UHFFFAOYSA-N 0 0 276.405 4.419 10 0 CIAERN CCNc1nc(-c2cccc3ccccc32)cs1 ZINC000007843874 170304987 /nfs/dbraw/zinc/30/49/87/170304987.db2.gz NBRBGURDWJCPQD-UHFFFAOYSA-N 0 0 254.358 4.395 10 0 CIAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1 ZINC000007885376 170306143 /nfs/dbraw/zinc/30/61/43/170306143.db2.gz UMXBKANTKLUCOY-KBXCAEBGSA-N 0 0 294.398 4.360 10 0 CIAERN Cc1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1C ZINC000008163098 170322083 /nfs/dbraw/zinc/32/20/83/170322083.db2.gz WLIUQCCLVNHZNI-MRXNPFEDSA-N 0 0 297.398 4.326 10 0 CIAERN O=c1oc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000008187423 170323493 /nfs/dbraw/zinc/32/34/93/170323493.db2.gz GBYFEFHQXLNYJE-UHFFFAOYSA-N 0 0 273.291 4.008 10 0 CIAERN COc1ccc(Cl)cc1/C=C/C(=O)Nc1ccccc1 ZINC000008215337 170324671 /nfs/dbraw/zinc/32/46/71/170324671.db2.gz AHRVEGBERILZHW-JXMROGBWSA-N 0 0 287.746 4.001 10 0 CIAERN CCOC(=O)c1sc(-c2cccc3ccccc32)cc1N ZINC000008228722 170326155 /nfs/dbraw/zinc/32/61/55/170326155.db2.gz IMCHHDKFVZIROW-UHFFFAOYSA-N 0 0 297.379 4.327 10 0 CIAERN Cc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1 ZINC000008286623 170329011 /nfs/dbraw/zinc/32/90/11/170329011.db2.gz WXQKVHBQDZGSHV-MDZDMXLPSA-N 0 0 271.747 4.300 10 0 CIAERN C[C@H]1CCCCN1CC(=O)c1ccc(Cl)cc1Cl ZINC000009998362 170394528 /nfs/dbraw/zinc/39/45/28/170394528.db2.gz PGPKWNITEFXMDR-JTQLQIEISA-N 0 0 286.202 4.051 10 0 CIAERN CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(C)c2)c1 ZINC000010473515 170407969 /nfs/dbraw/zinc/40/79/69/170407969.db2.gz DSAGUTZNPZFDGH-CQSZACIVSA-N 0 0 283.371 4.425 10 0 CIAERN Cc1cccc(-c2nc(-c3ccc(N)cc3)cs2)c1 ZINC000011568313 170420913 /nfs/dbraw/zinc/42/09/13/170420913.db2.gz XTFFTILRFRMUIQ-UHFFFAOYSA-N 0 0 266.369 4.368 10 0 CIAERN Cc1ccc(C(=O)c2ccc3c(c2)CCCC3)cc1C ZINC000011631635 170429495 /nfs/dbraw/zinc/42/94/95/170429495.db2.gz VGLIJHIXGIIQSH-UHFFFAOYSA-N 0 0 264.368 4.413 10 0 CIAERN S=C(NC1CCCCC1)Oc1ccc2ccccc2c1 ZINC000013520686 170557553 /nfs/dbraw/zinc/55/75/53/170557553.db2.gz UGYGEOMPPBHVCL-UHFFFAOYSA-N 0 0 285.412 4.426 10 0 CIAERN CCc1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1 ZINC000013837908 170603626 /nfs/dbraw/zinc/60/36/26/170603626.db2.gz JMIKYEHDPQACDL-UHFFFAOYSA-N 0 0 291.807 4.106 10 0 CIAERN CCCOc1ccccc1C(=O)Oc1c(C)cccc1C ZINC000014779802 170645209 /nfs/dbraw/zinc/64/52/09/170645209.db2.gz YFNGYBYFOOKHBA-UHFFFAOYSA-N 0 0 284.355 4.311 10 0 CIAERN Cc1cc(C(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1F ZINC000016738484 170710653 /nfs/dbraw/zinc/71/06/53/170710653.db2.gz VHPVAWBACXGHFX-LSDHHAIUSA-N 0 0 254.304 4.121 10 0 CIAERN Cc1sc2ncnc(N[C@H](C)c3ccco3)c2c1C ZINC000017282522 170731495 /nfs/dbraw/zinc/73/14/95/170731495.db2.gz CSAJGMODTVILAL-SECBINFHSA-N 0 0 273.361 4.074 10 0 CIAERN Cc1cc(OCc2ccc(OC(F)(F)F)cc2)ccc1N ZINC000019803086 170871614 /nfs/dbraw/zinc/87/16/14/170871614.db2.gz SZTFHPVGIDNEOX-UHFFFAOYSA-N 0 0 297.276 4.055 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1ccc(C(N)=S)cn1 ZINC000019805958 170874740 /nfs/dbraw/zinc/87/47/40/170874740.db2.gz WESXCDVKPBSISP-NSHDSACASA-N 0 0 286.400 4.022 10 0 CIAERN Cc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1N ZINC000019807997 170876493 /nfs/dbraw/zinc/87/64/93/170876493.db2.gz VEYUWDXNTQWRMW-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Cc1cc(Cl)ccc1NC(=O)c1cc(Cl)ccc1N ZINC000019810077 170878896 /nfs/dbraw/zinc/87/88/96/170878896.db2.gz LUKMCFMXHIOVEP-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Nc1ccc(Oc2cccc(Br)c2)c(Cl)c1 ZINC000019845736 170893817 /nfs/dbraw/zinc/89/38/17/170893817.db2.gz MVDOXLDYSOQGJB-UHFFFAOYSA-N 0 0 298.567 4.477 10 0 CIAERN Nc1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000019869324 170900392 /nfs/dbraw/zinc/90/03/92/170900392.db2.gz WDVRUJVFIMZUQY-UHFFFAOYSA-N 0 0 253.729 4.213 10 0 CIAERN CC(=O)c1cc(F)ccc1O[C@@H](C)c1ccccc1 ZINC000019871301 170901821 /nfs/dbraw/zinc/90/18/21/170901821.db2.gz YAQGNGNFENZXMN-LBPRGKRZSA-N 0 0 258.292 4.168 10 0 CIAERN CC(=O)c1c(F)cccc1Oc1cccc(Cl)c1 ZINC000019871549 170902047 /nfs/dbraw/zinc/90/20/47/170902047.db2.gz SCOSWLNDPMGPPO-UHFFFAOYSA-N 0 0 264.683 4.474 10 0 CIAERN CC(=O)c1cc(F)ccc1SCc1ccccc1 ZINC000019871701 170902301 /nfs/dbraw/zinc/90/23/01/170902301.db2.gz ZXSFWLUSUVJUEG-UHFFFAOYSA-N 0 0 260.333 4.321 10 0 CIAERN CCOc1cc2c(cc1CNc1ccccc1)O[C@@H](C)C2 ZINC000019879218 170907764 /nfs/dbraw/zinc/90/77/64/170907764.db2.gz WSKBFFGAWOMTBJ-ZDUSSCGKSA-N 0 0 283.371 4.021 10 0 CIAERN FC(F)(F)c1ccc(Cl)c(NCc2ccncc2)c1 ZINC000019885991 170910198 /nfs/dbraw/zinc/91/01/98/170910198.db2.gz SWYDSFJXYMMCBP-UHFFFAOYSA-N 0 0 286.684 4.366 10 0 CIAERN CCOc1ccc(N[C@H]2CCOc3ccccc32)cc1 ZINC000019902405 170914580 /nfs/dbraw/zinc/91/45/80/170914580.db2.gz FPGRYWJZKPGVQK-INIZCTEOSA-N 0 0 269.344 4.021 10 0 CIAERN C[C@@H](Nc1cccc2c1CCCC2)c1cccc(O)c1 ZINC000019906214 170918431 /nfs/dbraw/zinc/91/84/31/170918431.db2.gz IDVATEPIGUEEGO-CYBMUJFWSA-N 0 0 267.372 4.444 10 0 CIAERN C[C@H](Nc1cccc2c1CCCC2)c1cccnc1 ZINC000019906202 170918527 /nfs/dbraw/zinc/91/85/27/170918527.db2.gz ZQBURNSXIBFOAS-ZDUSSCGKSA-N 0 0 252.361 4.134 10 0 CIAERN Oc1cccc(CNc2ccccc2SC(F)F)c1 ZINC000019906664 170918783 /nfs/dbraw/zinc/91/87/83/170918783.db2.gz CERWWMSUGICING-UHFFFAOYSA-N 0 0 281.327 4.319 10 0 CIAERN COc1ccccc1[C@@H](C)Nc1cccc2ncccc21 ZINC000019906815 170919315 /nfs/dbraw/zinc/91/93/15/170919315.db2.gz KUNDVOQQMGCPOM-CYBMUJFWSA-N 0 0 278.355 4.417 10 0 CIAERN COc1ccccc1[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000019907591 170919544 /nfs/dbraw/zinc/91/95/44/170919544.db2.gz VPPDZUMKEAPDAW-SECBINFHSA-N 0 0 281.277 4.286 10 0 CIAERN COc1ccc([C@H](C)Nc2cc(F)ccc2F)cc1OC ZINC000019907912 170919873 /nfs/dbraw/zinc/91/98/73/170919873.db2.gz IORQZHBXTNNQPR-JTQLQIEISA-N 0 0 293.313 4.155 10 0 CIAERN C[C@@H](Nc1ccc(Br)cc1F)c1ccncc1 ZINC000019907990 170920131 /nfs/dbraw/zinc/92/01/31/170920131.db2.gz RSCDPSQBBSRIPZ-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN COc1ccc(OC)c(N[C@H](C)c2ccc(F)cc2F)c1 ZINC000019910686 170921479 /nfs/dbraw/zinc/92/14/79/170921479.db2.gz CCARZLKMZUXRCX-SNVBAGLBSA-N 0 0 293.313 4.155 10 0 CIAERN COc1ccc(OC)c(N[C@@H](C)c2ccc(C)cc2)c1 ZINC000019910483 170921580 /nfs/dbraw/zinc/92/15/80/170921580.db2.gz UWTDSRKTLOIZHA-ZDUSSCGKSA-N 0 0 271.360 4.185 10 0 CIAERN C[C@H](Nc1ccc2c(c1)CCC2)c1ccc(O)cc1 ZINC000019913786 170923941 /nfs/dbraw/zinc/92/39/41/170923941.db2.gz CGNUDGNCWNRQNM-LBPRGKRZSA-N 0 0 253.345 4.054 10 0 CIAERN CC[C@H](Nc1ccc(F)c(F)c1)c1ccc(O)cc1 ZINC000019918248 170926782 /nfs/dbraw/zinc/92/67/82/170926782.db2.gz LTTIVVMNCOWZNF-HNNXBMFYSA-N 0 0 263.287 4.234 10 0 CIAERN Brc1ccccc1NCCc1ccccc1 ZINC000019922541 170929082 /nfs/dbraw/zinc/92/90/82/170929082.db2.gz PWYNJOISGQZSEP-UHFFFAOYSA-N 0 0 276.177 4.104 10 0 CIAERN CCOc1ccccc1[C@H](C)Nc1ccccc1F ZINC000019944617 170936036 /nfs/dbraw/zinc/93/60/36/170936036.db2.gz LXJKMYKLKBHXCX-LBPRGKRZSA-N 0 0 259.324 4.398 10 0 CIAERN Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000019952305 170940106 /nfs/dbraw/zinc/94/01/06/170940106.db2.gz VWBJZIZCHUJKBB-UHFFFAOYSA-N 0 0 287.672 4.080 10 0 CIAERN C[C@@H](Nc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000019962012 170944317 /nfs/dbraw/zinc/94/43/17/170944317.db2.gz JFOGFXBFPMXYAN-SECBINFHSA-N 0 0 251.251 4.277 10 0 CIAERN Fc1ccc(CNc2ccc3[nH]ccc3c2)cc1F ZINC000020132300 171020704 /nfs/dbraw/zinc/02/07/04/171020704.db2.gz MSEWOQVYGGNFNG-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN C[C@@H](Nc1ccc2[nH]ccc2c1)c1cccc(O)c1 ZINC000020132626 171020857 /nfs/dbraw/zinc/02/08/57/171020857.db2.gz JAQLSHOIOIIJHK-LLVKDONJSA-N 0 0 252.317 4.047 10 0 CIAERN Cc1nc2cc(N[C@H](C)c3cccs3)ccc2o1 ZINC000020144033 171029639 /nfs/dbraw/zinc/02/96/39/171029639.db2.gz XOWZMYDLVAFPMY-SECBINFHSA-N 0 0 258.346 4.371 10 0 CIAERN Cc1nc(-c2ccc(N[C@@H]3CCSC3)cc2)cs1 ZINC000020147467 171034189 /nfs/dbraw/zinc/03/41/89/171034189.db2.gz OIZDIZSUOTVMBD-CYBMUJFWSA-N 0 0 276.430 4.036 10 0 CIAERN Cc1nc(-c2ccc(NCc3ccncc3)cc2)cs1 ZINC000020147473 171034454 /nfs/dbraw/zinc/03/44/54/171034454.db2.gz GZMAYSVJRQAHKY-UHFFFAOYSA-N 0 0 281.384 4.126 10 0 CIAERN C[C@@H](NCc1ccc(Br)o1)c1cccc(F)c1 ZINC000020147804 171035622 /nfs/dbraw/zinc/03/56/22/171035622.db2.gz ACMRGNPDJGCTSX-SECBINFHSA-N 0 0 298.155 4.032 10 0 CIAERN Oc1cccc(NCc2ccc(Cl)cc2Cl)c1 ZINC000020193218 171058745 /nfs/dbraw/zinc/05/87/45/171058745.db2.gz WETLBUMNQDCHQL-UHFFFAOYSA-N 0 0 268.143 4.311 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1ccc2c(c1)CCC2 ZINC000020194269 171059900 /nfs/dbraw/zinc/05/99/00/171059900.db2.gz NKGCWIIOVMIOKB-LBPRGKRZSA-N 0 0 253.345 4.054 10 0 CIAERN Cc1cc(C)cc(NCc2ccc3ccccc3n2)c1 ZINC000020246304 171099280 /nfs/dbraw/zinc/09/92/80/171099280.db2.gz SAYJDVRQBIYMCQ-UHFFFAOYSA-N 0 0 262.356 4.464 10 0 CIAERN Cc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccccc1 ZINC000020301418 171138916 /nfs/dbraw/zinc/13/89/16/171138916.db2.gz FICWQTJSJZUNPC-LBPRGKRZSA-N 0 0 288.778 4.088 10 0 CIAERN Oc1ccc(-c2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000020311523 171144408 /nfs/dbraw/zinc/14/44/08/171144408.db2.gz ULSYLVVHJHGUNR-UHFFFAOYSA-N 0 0 279.364 4.281 10 0 CIAERN Oc1ccc(-c2nc(-c3cccc(F)c3)cs2)cc1 ZINC000020311567 171144600 /nfs/dbraw/zinc/14/46/00/171144600.db2.gz PREKNJLMHPNNLS-UHFFFAOYSA-N 0 0 271.316 4.322 10 0 CIAERN Nc1cccnc1Nc1ccc(Cl)cc1C(F)(F)F ZINC000020317581 171147969 /nfs/dbraw/zinc/14/79/69/171147969.db2.gz OZYHCQHJOOBAQF-UHFFFAOYSA-N 0 0 287.672 4.080 10 0 CIAERN CSc1ccc(CNc2c(F)cccc2F)cc1 ZINC000020361230 171159523 /nfs/dbraw/zinc/15/95/23/171159523.db2.gz VGXRHEYKFQDQCM-UHFFFAOYSA-N 0 0 265.328 4.299 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1N ZINC000020383641 171174579 /nfs/dbraw/zinc/17/45/79/171174579.db2.gz QCQSMJADTLEKPU-CABZTGNLSA-N 0 0 283.213 4.022 10 0 CIAERN COC(=O)c1cccc(-c2ccc(Cl)cc2Cl)c1 ZINC000020391554 171180303 /nfs/dbraw/zinc/18/03/03/171180303.db2.gz JEXWQNNQMSXLSS-UHFFFAOYSA-N 0 0 281.138 4.447 10 0 CIAERN O=C(CCNc1ccccc1)c1cc2ccccc2o1 ZINC000020428299 171193214 /nfs/dbraw/zinc/19/32/14/171193214.db2.gz ROLJKGHABIQQHW-UHFFFAOYSA-N 0 0 265.312 4.118 10 0 CIAERN Fc1ccc(Nc2ncccc2Cl)cc1Cl ZINC000020430009 171194969 /nfs/dbraw/zinc/19/49/69/171194969.db2.gz JAPVKLWUTBPIGS-UHFFFAOYSA-N 0 0 257.095 4.271 10 0 CIAERN CCC[C@H](C)Nc1ccc(F)cc1Br ZINC000020430345 171194999 /nfs/dbraw/zinc/19/49/99/171194999.db2.gz GAGSQRZWYBFYGC-QMMMGPOBSA-N 0 0 260.150 4.189 10 0 CIAERN CCC[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430344 171195006 /nfs/dbraw/zinc/19/50/06/171195006.db2.gz GAGSQRZWYBFYGC-MRVPVSSYSA-N 0 0 260.150 4.189 10 0 CIAERN Fc1ccc(Nc2ccc(Cl)cn2)cc1Cl ZINC000020430007 171195187 /nfs/dbraw/zinc/19/51/87/171195187.db2.gz ZEKNZYJKEWNTNA-UHFFFAOYSA-N 0 0 257.095 4.271 10 0 CIAERN Cc1ccc(Oc2ccc(CO)cc2)c(Br)c1 ZINC000020435454 171201356 /nfs/dbraw/zinc/20/13/56/171201356.db2.gz GKRUQHZLQGAJAD-UHFFFAOYSA-N 0 0 293.160 4.042 10 0 CIAERN Cc1ccc(C(C)C)c(Oc2ccccc2CO)c1 ZINC000020435339 171201402 /nfs/dbraw/zinc/20/14/02/171201402.db2.gz IPYNVPMRRCCZGB-UHFFFAOYSA-N 0 0 256.345 4.403 10 0 CIAERN C[C@H](Nc1cccc(Cl)c1F)c1cccnc1 ZINC000020472364 171215102 /nfs/dbraw/zinc/21/51/02/171215102.db2.gz FDKIBMYCRNMQOW-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN Cc1cccc(CNc2ccc(OC(C)C)cc2)c1 ZINC000020472986 171216426 /nfs/dbraw/zinc/21/64/26/171216426.db2.gz QYVPFBVJBDTNFH-UHFFFAOYSA-N 0 0 255.361 4.394 10 0 CIAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(N)cc1F ZINC000020474932 171219055 /nfs/dbraw/zinc/21/90/55/171219055.db2.gz ZIZKOURTTXOCMG-RBOXIYTFSA-N 0 0 265.372 4.248 10 0 CIAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(F)c(F)c1 ZINC000020476154 171220469 /nfs/dbraw/zinc/22/04/69/171220469.db2.gz YZCAOAAQYZBEFX-MRVPVSSYSA-N 0 0 269.241 4.416 10 0 CIAERN CCCC[C@H](CC)C(=O)Nc1ccc(N)cc1Cl ZINC000020481701 171222262 /nfs/dbraw/zinc/22/22/62/171222262.db2.gz IUXPQTIBCUELAY-JTQLQIEISA-N 0 0 268.788 4.077 10 0 CIAERN CCCCN(CCCC)c1ccc(N)cc1Cl ZINC000020484608 171224073 /nfs/dbraw/zinc/22/40/73/171224073.db2.gz LKFGCRHNZYZFIM-UHFFFAOYSA-N 0 0 254.805 4.329 10 0 CIAERN CCCCN(CCCC)c1ccc(C=O)cc1F ZINC000020485878 171225162 /nfs/dbraw/zinc/22/51/62/171225162.db2.gz MYTYGFCZOZWGOB-UHFFFAOYSA-N 0 0 251.345 4.045 10 0 CIAERN C[C@H]1C[C@@H](Oc2ccc(N)cc2F)CC(C)(C)C1 ZINC000020506897 171228890 /nfs/dbraw/zinc/22/88/90/171228890.db2.gz DEAHUVQLUQPYCF-CMPLNLGQSA-N 0 0 251.345 4.002 10 0 CIAERN CCCCCC[C@@H](C)Nc1cc(OC)ccc1OC ZINC000020519993 171234023 /nfs/dbraw/zinc/23/40/23/171234023.db2.gz MGZKUTDJIIBLFN-CYBMUJFWSA-N 0 0 265.397 4.475 10 0 CIAERN Cc1ccc(N)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000020521694 171234879 /nfs/dbraw/zinc/23/48/79/171234879.db2.gz IAKMNTGQZZRXSN-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cccc(SC)c1 ZINC000020524192 171237346 /nfs/dbraw/zinc/23/73/46/171237346.db2.gz QPFLBSOJFBPSOG-LLVKDONJSA-N 0 0 253.411 4.024 10 0 CIAERN Cc1ccc(CNc2ccc3c(c2)CCC3)c(C)c1 ZINC000020547821 171245132 /nfs/dbraw/zinc/24/51/32/171245132.db2.gz AEPIJILVEHWQSH-UHFFFAOYSA-N 0 0 251.373 4.404 10 0 CIAERN Cc1ccc(C)c(OC[C@H](N)c2cc3ccccc3o2)c1 ZINC000020548216 171245556 /nfs/dbraw/zinc/24/55/56/171245556.db2.gz VVEHZJBCSHUDRW-HNNXBMFYSA-N 0 0 281.355 4.128 10 0 CIAERN C[C@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)cc1N ZINC000020552774 171248343 /nfs/dbraw/zinc/24/83/43/171248343.db2.gz VIUGALRMFQNMTM-JOYOIKCWSA-N 0 0 273.298 4.245 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1cccc(Br)c1 ZINC000020553880 171249113 /nfs/dbraw/zinc/24/91/13/171249113.db2.gz PPIHFNOZDNKQDM-NXEZZACHSA-N 0 0 256.187 4.296 10 0 CIAERN CCCc1ccc(NCc2ccccc2OC)cc1 ZINC000020556960 171250155 /nfs/dbraw/zinc/25/01/55/171250155.db2.gz UXRIHCQVOQUAQY-UHFFFAOYSA-N 0 0 255.361 4.260 10 0 CIAERN Cc1ccc(-c2nc(Cl)c3ccccc3n2)cc1F ZINC000020556824 171250460 /nfs/dbraw/zinc/25/04/60/171250460.db2.gz QVHWTPYBFLONOQ-UHFFFAOYSA-N 0 0 272.710 4.398 10 0 CIAERN COc1ccc(N[C@@H](C)c2ccc(C(C)C)cc2)cn1 ZINC000020558001 171250582 /nfs/dbraw/zinc/25/05/82/171250582.db2.gz AGFHCRNGRUCPJT-ZDUSSCGKSA-N 0 0 270.376 4.387 10 0 CIAERN COc1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1 ZINC000020557755 171250630 /nfs/dbraw/zinc/25/06/30/171250630.db2.gz KQCHRTAOSREJQN-JSGCOSHPSA-N 0 0 277.408 4.331 10 0 CIAERN CCC[C@@H](C)Nc1ccc(Br)cc1C ZINC000020557667 171250742 /nfs/dbraw/zinc/25/07/42/171250742.db2.gz HOYPWLSFUGAPOS-SNVBAGLBSA-N 0 0 256.187 4.358 10 0 CIAERN CC(C)C[C@@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000020559209 171250924 /nfs/dbraw/zinc/25/09/24/171250924.db2.gz LUERPPLXESDOKO-SNVBAGLBSA-N 0 0 261.287 4.432 10 0 CIAERN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1F ZINC000020559043 171251026 /nfs/dbraw/zinc/25/10/26/171251026.db2.gz HBZDZJIRWRKEGR-VIFPVBQESA-N 0 0 295.260 4.320 10 0 CIAERN Cc1cc(F)ccc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000020559260 171251076 /nfs/dbraw/zinc/25/10/76/171251076.db2.gz VSPRMHMGIOBWRR-YGRLFVJLSA-N 0 0 259.324 4.463 10 0 CIAERN CC[C@H]1CCCC[C@H]1Oc1ccc(Br)cc1N ZINC000020562146 171252481 /nfs/dbraw/zinc/25/24/81/171252481.db2.gz YHIQROHFOUCDKR-GXFFZTMASA-N 0 0 298.224 4.379 10 0 CIAERN CCCCC[C@H](C)Nc1cc(OC)ccc1OC ZINC000020564178 171253232 /nfs/dbraw/zinc/25/32/32/171253232.db2.gz MSZUSVNORFHOFL-LBPRGKRZSA-N 0 0 251.370 4.085 10 0 CIAERN COc1ccc(N[C@@H](CC(C)C)c2ccccc2)cn1 ZINC000020565940 171254241 /nfs/dbraw/zinc/25/42/41/171254241.db2.gz RRMIURXZHHLZHI-INIZCTEOSA-N 0 0 270.376 4.290 10 0 CIAERN S=C1N=NC(Nc2ccccc2-c2ccccc2)S1 ZINC000020581501 171257127 /nfs/dbraw/zinc/25/71/27/171257127.db2.gz JTZPIKWATKBLSM-UHFFFAOYSA-N 0 0 285.397 4.237 10 0 CIAERN S=c1[nH]ccn1-c1ccc(Oc2ccccc2)cc1 ZINC000020581056 171257272 /nfs/dbraw/zinc/25/72/72/171257272.db2.gz KYXXYGJDVSJCQF-UHFFFAOYSA-N 0 0 268.341 4.327 10 0 CIAERN Cc1c(Cl)cccc1Nc1ccc(F)cc1N ZINC000020584942 171258088 /nfs/dbraw/zinc/25/80/88/171258088.db2.gz WDJVEQCVHXACSI-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1ccc(Nc2cc(Cl)ccc2Cl)c(F)c1 ZINC000020584629 171258343 /nfs/dbraw/zinc/25/83/43/171258343.db2.gz HFQSCERNWOEUBI-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccc2c(c1)CCC2 ZINC000020585375 171258623 /nfs/dbraw/zinc/25/86/23/171258623.db2.gz UHYRGEYVIRCNSZ-UHFFFAOYSA-N 0 0 258.752 4.155 10 0 CIAERN Nc1cc(F)ccc1Nc1ccc(F)cc1Br ZINC000020585848 171258853 /nfs/dbraw/zinc/25/88/53/171258853.db2.gz MKLDHQVCSVJSKY-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN Cc1ccc(Nc2ccc(Br)cc2N)cc1 ZINC000020585747 171258855 /nfs/dbraw/zinc/25/88/55/171258855.db2.gz LWGHXAHZIPRDQV-UHFFFAOYSA-N 0 0 277.165 4.083 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccc(Cl)cc1 ZINC000020585508 171258960 /nfs/dbraw/zinc/25/89/60/171258960.db2.gz HDMPHMIWIIZWCE-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Cc1ccc(F)cc1Nc1c(N)cccc1Cl ZINC000020585627 171259020 /nfs/dbraw/zinc/25/90/20/171259020.db2.gz QCRPXTNJXZSPPT-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(F)c(Nc2ccc(N)cc2Cl)c1 ZINC000020585869 171259021 /nfs/dbraw/zinc/25/90/21/171259021.db2.gz AGIUGPOMHJCSRW-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(Nc2ccc(Cl)cc2N)c(F)c1 ZINC000020585799 171259087 /nfs/dbraw/zinc/25/90/87/171259087.db2.gz IWTSVPVTMKSAOA-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccc(Nc2ccc(C(F)(F)F)cc2N)cc1 ZINC000020585749 171259133 /nfs/dbraw/zinc/25/91/33/171259133.db2.gz XLFPDRYZGDSUDO-UHFFFAOYSA-N 0 0 266.266 4.340 10 0 CIAERN Cc1cc(F)ccc1Nc1ccc(Cl)cc1N ZINC000020585686 171259172 /nfs/dbraw/zinc/25/91/72/171259172.db2.gz MQAKUOAHKIAWCQ-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN CC1CCC(n2c(=S)[nH]nc2-c2ccccc2)CC1 ZINC000020590706 171260687 /nfs/dbraw/zinc/26/06/87/171260687.db2.gz DCDZVCWTUKDGGJ-UHFFFAOYSA-N 0 0 273.405 4.359 10 0 CIAERN CC(C)c1n[nH]c(=S)n1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020590420 171260701 /nfs/dbraw/zinc/26/07/01/171260701.db2.gz ITXJHCGNCJCDAI-OUAUKWLOSA-N 0 0 253.415 4.061 10 0 CIAERN Cc1ccc([C@H](N)c2cc3cc(Cl)ccc3o2)o1 ZINC000020592847 171262421 /nfs/dbraw/zinc/26/24/21/171262421.db2.gz UKUOQDQZOGMCMY-AWEZNQCLSA-N 0 0 261.708 4.036 10 0 CIAERN Fc1ccc(NCc2c(F)cccc2F)c(Cl)c1 ZINC000020595251 171263939 /nfs/dbraw/zinc/26/39/39/171263939.db2.gz ULWQHCLAGHXQFM-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN Cc1ccc(NC(=O)c2ccccc2C)c(NC(C)C)c1 ZINC000021004782 171285042 /nfs/dbraw/zinc/28/50/42/171285042.db2.gz LORUJVSVNLTSIG-UHFFFAOYSA-N 0 0 282.387 4.376 10 0 CIAERN CCOc1ccc(OCC)c(N[C@@H](C)CC(C)C)c1 ZINC000021009710 171286286 /nfs/dbraw/zinc/28/62/86/171286286.db2.gz BOVIKUBRABLGNF-ZDUSSCGKSA-N 0 0 265.397 4.331 10 0 CIAERN CCOc1ccc(N[C@H]2CCC[C@H](C)C2)cc1OCC ZINC000021009536 171286427 /nfs/dbraw/zinc/28/64/27/171286427.db2.gz CWDBAWHSWOXXPG-KBPBESRZSA-N 0 0 277.408 4.475 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1ccc(OC(F)F)cc1 ZINC000021011874 171287695 /nfs/dbraw/zinc/28/76/95/171287695.db2.gz PBBILEZTBDQJDX-GXFFZTMASA-N 0 0 255.308 4.279 10 0 CIAERN Cc1ccc(N[C@@H](C)CCc2ccc(O)cc2)c(C)c1 ZINC000021012237 171287757 /nfs/dbraw/zinc/28/77/57/171287757.db2.gz TZTUDIDWSYCPDU-HNNXBMFYSA-N 0 0 269.388 4.442 10 0 CIAERN COc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1C ZINC000021039516 171293324 /nfs/dbraw/zinc/29/33/24/171293324.db2.gz BGOTWAGFNVTKJZ-ZYHUDNBSSA-N 0 0 253.773 4.339 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1ccccc1Br ZINC000021042681 171293692 /nfs/dbraw/zinc/29/36/92/171293692.db2.gz SKNZWLPILUCFJV-VHSXEESVSA-N 0 0 256.187 4.296 10 0 CIAERN COc1cccc(N[C@@H](C)CCc2ccccc2)c1 ZINC000021043841 171293744 /nfs/dbraw/zinc/29/37/44/171293744.db2.gz VEBVJJSQOUJSGV-AWEZNQCLSA-N 0 0 255.361 4.128 10 0 CIAERN Cc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1Cl ZINC000021058735 171296289 /nfs/dbraw/zinc/29/62/89/171296289.db2.gz UATANWANHLWZOD-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CC(C)(C)c1ccc(CNc2cccc(O)c2)cc1 ZINC000021057764 171296333 /nfs/dbraw/zinc/29/63/33/171296333.db2.gz DXPWNPFXJJVUJZ-UHFFFAOYSA-N 0 0 255.361 4.302 10 0 CIAERN CSc1ccc(NCCCc2ccccc2)cc1 ZINC000021503266 171306149 /nfs/dbraw/zinc/30/61/49/171306149.db2.gz JADAILJRUOIORO-UHFFFAOYSA-N 0 0 257.402 4.453 10 0 CIAERN CCC[C@H](C)CNc1ccccc1OC(F)(F)F ZINC000021504237 171306927 /nfs/dbraw/zinc/30/69/27/171306927.db2.gz CUBUZIGWBMZLPY-JTQLQIEISA-N 0 0 261.287 4.433 10 0 CIAERN CC1(C)Cc2cccc(Oc3c(N)cccc3Cl)c2O1 ZINC000021506258 171308219 /nfs/dbraw/zinc/30/82/19/171308219.db2.gz HCCICOAALJQKHC-UHFFFAOYSA-N 0 0 289.762 4.428 10 0 CIAERN Cc1cc(C)c([C@H](C)Nc2cccc(O)c2)cc1C ZINC000021508438 171308791 /nfs/dbraw/zinc/30/87/91/171308791.db2.gz LHDOIZFVOPEUEJ-AWEZNQCLSA-N 0 0 255.361 4.491 10 0 CIAERN Cc1cc(C)c([C@@H](C)Nc2cccc(O)c2)cc1C ZINC000021508436 171308951 /nfs/dbraw/zinc/30/89/51/171308951.db2.gz LHDOIZFVOPEUEJ-CQSZACIVSA-N 0 0 255.361 4.491 10 0 CIAERN Cc1ccc(COc2ccc(F)cc2Br)cc1 ZINC000021510112 171309763 /nfs/dbraw/zinc/30/97/63/171309763.db2.gz KPKDSNSQOYQVTI-UHFFFAOYSA-N 0 0 295.151 4.476 10 0 CIAERN COc1ccc(OCc2ccc(C(C)(C)C)cc2)c(N)c1 ZINC000021514926 171311890 /nfs/dbraw/zinc/31/18/90/171311890.db2.gz SHVSFCHZHPHQPR-UHFFFAOYSA-N 0 0 285.387 4.154 10 0 CIAERN COc1cc(OC)c(NCC2CCCCC2)cc1Cl ZINC000021514756 171311951 /nfs/dbraw/zinc/31/19/51/171311951.db2.gz INCHIWRNHIYCCD-UHFFFAOYSA-N 0 0 283.799 4.349 10 0 CIAERN CCC[C@@H](C)CNc1cccc(Br)c1 ZINC000021514796 171312049 /nfs/dbraw/zinc/31/20/49/171312049.db2.gz XGXLGWCPXSNAGF-SNVBAGLBSA-N 0 0 256.187 4.297 10 0 CIAERN C[C@H](Nc1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000021518921 171315018 /nfs/dbraw/zinc/31/50/18/171315018.db2.gz SLYGLLXEWOWODC-LBPRGKRZSA-N 0 0 255.336 4.488 10 0 CIAERN Cc1ccc(CN(C)c2cccc(Cl)c2C=O)cc1 ZINC000021520256 171315785 /nfs/dbraw/zinc/31/57/85/171315785.db2.gz UZGDGQIOAYDKCF-UHFFFAOYSA-N 0 0 273.763 4.097 10 0 CIAERN CC1CCC(Oc2cccc(Cl)c2C=O)CC1 ZINC000021788231 171322863 /nfs/dbraw/zinc/32/28/63/171322863.db2.gz UAONWSRNLKSPGP-UHFFFAOYSA-N 0 0 252.741 4.110 10 0 CIAERN CCOc1ccccc1NC[C@H](C)c1ccccc1 ZINC000021788586 171323192 /nfs/dbraw/zinc/32/31/92/171323192.db2.gz ILNZPLMTBSREJH-AWEZNQCLSA-N 0 0 255.361 4.301 10 0 CIAERN C[C@H](Nc1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000021806603 171327799 /nfs/dbraw/zinc/32/77/99/171327799.db2.gz HPYAIJZMTZIOPN-ORVZXPRGSA-N 0 0 256.393 4.098 10 0 CIAERN CCc1cccc(Oc2ccc(Br)cc2N)c1 ZINC000021810865 171328841 /nfs/dbraw/zinc/32/88/41/171328841.db2.gz GMWVWBXAIUBDBG-UHFFFAOYSA-N 0 0 292.176 4.386 10 0 CIAERN Fc1cc(F)cc(N[C@@H]2CCCc3ccccc32)c1 ZINC000021813066 171330499 /nfs/dbraw/zinc/33/04/99/171330499.db2.gz ZSZQUCPYKWWTNF-MRXNPFEDSA-N 0 0 259.299 4.454 10 0 CIAERN CC(C)(C)c1ccc(OCc2cccc(C(N)=S)c2)cc1 ZINC000021814707 171331692 /nfs/dbraw/zinc/33/16/92/171331692.db2.gz CNHKBTUQLBFEIM-UHFFFAOYSA-N 0 0 299.439 4.197 10 0 CIAERN CCCC(CCC)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021816154 171332431 /nfs/dbraw/zinc/33/24/31/171332431.db2.gz UDWBPZQVJJIQJF-UHFFFAOYSA-N 0 0 271.307 4.389 10 0 CIAERN CCC(=O)c1ccccc1OCc1ccc(C)cc1 ZINC000021817172 171332981 /nfs/dbraw/zinc/33/29/81/171332981.db2.gz WYIZTHQMUSONIO-UHFFFAOYSA-N 0 0 254.329 4.167 10 0 CIAERN CCOC(=O)c1c(N)scc1-c1c(C)cc(C)cc1C ZINC000021819951 171334262 /nfs/dbraw/zinc/33/42/62/171334262.db2.gz WSTIZTWTIJSDFC-UHFFFAOYSA-N 0 0 289.400 4.099 10 0 CIAERN O=Cc1cccc(-c2ccccc2OC(F)(F)F)c1 ZINC000021950557 171339099 /nfs/dbraw/zinc/33/90/99/171339099.db2.gz LPIUAXIWABLKSA-UHFFFAOYSA-N 0 0 266.218 4.065 10 0 CIAERN O=Cc1ccc(-c2ccccc2OC(F)(F)F)s1 ZINC000021950694 171339619 /nfs/dbraw/zinc/33/96/19/171339619.db2.gz OATAAIVPIAUIQW-UHFFFAOYSA-N 0 0 272.247 4.126 10 0 CIAERN Nc1c(F)cc(F)cc1-c1ccccc1OC(F)(F)F ZINC000021950984 171339825 /nfs/dbraw/zinc/33/98/25/171339825.db2.gz DTWVMCAFFXGMFY-UHFFFAOYSA-N 0 0 289.203 4.113 10 0 CIAERN CN(c1ccccc1)c1ccc(N)c(C(F)(F)F)c1 ZINC000021957377 171341737 /nfs/dbraw/zinc/34/17/37/171341737.db2.gz MNMQPWVVQDJTER-UHFFFAOYSA-N 0 0 266.266 4.056 10 0 CIAERN CCCc1nc2c(cc(-c3nc4ccccc4[nH]3)cc2C)[nH]1 ZINC000021986109 171345298 /nfs/dbraw/zinc/34/52/98/171345298.db2.gz SJDKRRCPDBARHK-UHFFFAOYSA-N 0 0 290.370 4.367 10 0 in-vitro CIAERN CCOc1ccc(OCC)c(NC2CCC(C)CC2)c1 ZINC000022147875 171357382 /nfs/dbraw/zinc/35/73/82/171357382.db2.gz MWUZPCKSSWTELX-UHFFFAOYSA-N 0 0 277.408 4.475 10 0 CIAERN CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O ZINC000022201193 171372278 /nfs/dbraw/zinc/37/22/78/171372278.db2.gz AGMPJZIKAWRFLY-UHFFFAOYSA-N 0 0 280.245 4.281 10 0 CIAERN c1ccc2c(c1)CCC[C@@H]2Nc1cnc2ccccc2n1 ZINC000026134853 171472433 /nfs/dbraw/zinc/47/24/33/171472433.db2.gz PKFKAFHFKKGWRP-HNNXBMFYSA-N 0 0 275.355 4.119 10 0 CIAERN Cc1ccc(-c2ccc(-c3csc(N)n3)s2)cc1 ZINC000027913804 171537747 /nfs/dbraw/zinc/53/77/47/171537747.db2.gz GVXZAIWHVJORPB-UHFFFAOYSA-N 0 0 272.398 4.429 10 0 CIAERN CN(C(=O)C1CC1)c1ccc(Sc2ccccc2)cc1 ZINC000028001514 171543427 /nfs/dbraw/zinc/54/34/27/171543427.db2.gz YHIJAOKUOVZSMU-UHFFFAOYSA-N 0 0 283.396 4.211 10 0 CIAERN CCCC[C@H](CC)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000028225588 171551531 /nfs/dbraw/zinc/55/15/31/171551531.db2.gz ADNQSRIWBSCHNM-NSHDSACASA-N 0 0 266.385 4.127 10 0 CIAERN Fc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 ZINC000028637825 171568007 /nfs/dbraw/zinc/56/80/07/171568007.db2.gz PDTQGVDIJNDFPV-UHFFFAOYSA-N 0 0 271.320 4.088 10 0 CIAERN CC[C@H](c1ccc(O)cc1)[C@@H](CC(C)=O)c1ccc(O)cc1 ZINC000028757898 171572951 /nfs/dbraw/zinc/57/29/51/171572951.db2.gz LXWZXSRNQUKHLG-MOPGFXCFSA-N 0 0 298.382 4.354 10 0 CIAERN CCn1c(-c2ccc(O)cc2)c(C)c2cccc(O)c21 ZINC000029225487 171590509 /nfs/dbraw/zinc/59/05/09/171590509.db2.gz BKTRLWUZAFSHIE-UHFFFAOYSA-N 0 0 267.328 4.048 10 0 CIAERN c1ccc2oc(N[C@@H]3CCCc4ccccc43)nc2c1 ZINC000029240683 171591617 /nfs/dbraw/zinc/59/16/17/171591617.db2.gz PRHGFPVFIJAECF-CQSZACIVSA-N 0 0 264.328 4.317 10 0 CIAERN Brc1ccc(-c2ccc3c(c2)CCCN3)cc1 ZINC000032004198 171683578 /nfs/dbraw/zinc/68/35/78/171683578.db2.gz HNYXMJKDKMLWLY-UHFFFAOYSA-N 0 0 288.188 4.474 10 0 CIAERN O=C1c2ccccc2C(c2ccccc2)c2ccccc21 ZINC000032269140 171723021 /nfs/dbraw/zinc/72/30/21/171723021.db2.gz BYFBRCKXSMTARY-UHFFFAOYSA-N 0 0 270.331 4.411 10 0 CIAERN CCc1cccc(NC(=O)/C=C\c2ccc(F)cc2)c1 ZINC000033316316 171782400 /nfs/dbraw/zinc/78/24/00/171782400.db2.gz OPARCHAFBGZNDV-FLIBITNWSA-N 0 0 269.319 4.040 10 0 CIAERN O=C(/C=C\c1cccc(Cl)c1)NCCC1=CCCCC1 ZINC000033339953 171785389 /nfs/dbraw/zinc/78/53/89/171785389.db2.gz DIVAFGFLUHSNDC-KTKRTIGZSA-N 0 0 289.806 4.360 10 0 CIAERN CN(C)c1cc(Cl)c(N)cc1Oc1ccc(Cl)cc1 ZINC000033609432 171814903 /nfs/dbraw/zinc/81/49/03/171814903.db2.gz VVCPHTYRZMNORC-UHFFFAOYSA-N 0 0 297.185 4.434 10 0 CIAERN Cc1ccc(F)cc1C(=O)c1ccccc1C(F)(F)F ZINC000033609597 171814958 /nfs/dbraw/zinc/81/49/58/171814958.db2.gz GAUVVOWDIITZQI-UHFFFAOYSA-N 0 0 282.236 4.384 10 0 CIAERN C[C@@H](c1cccc2ccccc21)n1sc(Cl)cc1=O ZINC000034853855 171889220 /nfs/dbraw/zinc/88/92/20/171889220.db2.gz DSEKFELPFGSGBP-JTQLQIEISA-N 0 0 289.787 4.326 10 0 CIAERN C[C@@H](Sc1ccccc1)C(=O)c1ccc(F)c(F)c1 ZINC000034979960 171912137 /nfs/dbraw/zinc/91/21/37/171912137.db2.gz IFUMPGUVNRGIGT-SNVBAGLBSA-N 0 0 278.323 4.328 10 0 CIAERN CN(CC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000035020742 171939482 /nfs/dbraw/zinc/93/94/82/171939482.db2.gz MPGXSAJWEYUFMN-UHFFFAOYSA-N 0 0 294.181 4.313 10 0 CIAERN CC(=O)c1ccc(O)c(CSc2ccc(F)cc2)c1 ZINC000035054497 171957201 /nfs/dbraw/zinc/95/72/01/171957201.db2.gz UUWTZTPEIHEOLH-UHFFFAOYSA-N 0 0 276.332 4.026 10 0 CIAERN CC(C)=CCOc1c(C(C)=O)ccc2ccccc21 ZINC000035099874 171978110 /nfs/dbraw/zinc/97/81/10/171978110.db2.gz YYLZYVWTJCPZGZ-UHFFFAOYSA-N 0 0 254.329 4.387 10 0 CIAERN c1ccc2c(c1)Cc1cc(NC[C@@H]3CCCCO3)ccc1-2 ZINC000035150862 172013481 /nfs/dbraw/zinc/01/34/81/172013481.db2.gz CFORVTXMRQOZJQ-KRWDZBQOSA-N 0 0 279.383 4.239 10 0 CIAERN COc1ccc(C)cc1CNc1cccc2c1CCCC2 ZINC000035165068 172026146 /nfs/dbraw/zinc/02/61/46/172026146.db2.gz RBVGJBQTZVRDPK-UHFFFAOYSA-N 0 0 281.399 4.495 10 0 CIAERN CC(C)c1cccc(OCC(=O)c2ccc(F)cc2)c1 ZINC000035182027 172035281 /nfs/dbraw/zinc/03/52/81/172035281.db2.gz IBWPMLODLLEZQO-UHFFFAOYSA-N 0 0 272.319 4.211 10 0 CIAERN COc1ccc(C(C)=O)cc1CSc1ccc(F)cc1 ZINC000035181490 172035336 /nfs/dbraw/zinc/03/53/36/172035336.db2.gz LKKQJGMZZMDESZ-UHFFFAOYSA-N 0 0 290.359 4.329 10 0 CIAERN CC(C)c1ccc(OCC(=O)c2ccc(F)c(F)c2)cc1 ZINC000035181860 172035340 /nfs/dbraw/zinc/03/53/40/172035340.db2.gz OUJUHVZBBODPTN-UHFFFAOYSA-N 0 0 290.309 4.350 10 0 CIAERN CC(C)c1ccc(OCC(=O)c2cc(F)ccc2F)cc1 ZINC000035181861 172035417 /nfs/dbraw/zinc/03/54/17/172035417.db2.gz JYKRANJDMMPXHD-UHFFFAOYSA-N 0 0 290.309 4.350 10 0 CIAERN Cc1ccc(OCC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000035181834 172035473 /nfs/dbraw/zinc/03/54/73/172035473.db2.gz JSFICBHBRVWERZ-UHFFFAOYSA-N 0 0 280.323 4.311 10 0 CIAERN Cc1ccc(C(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000035181883 172035494 /nfs/dbraw/zinc/03/54/94/172035494.db2.gz XREIVQUCPHITFZ-UHFFFAOYSA-N 0 0 268.356 4.380 10 0 CIAERN Cc1ccc(OCC(=O)c2ccc(Cl)s2)c(C)c1 ZINC000035181843 172035544 /nfs/dbraw/zinc/03/55/44/172035544.db2.gz WGVIHTJGRISDAO-UHFFFAOYSA-N 0 0 280.776 4.280 10 0 CIAERN CC[C@H](C)SCC(=O)c1ccc(SC)cc1 ZINC000035182562 172036003 /nfs/dbraw/zinc/03/60/03/172036003.db2.gz YSKPBZHASSRFQQ-JTQLQIEISA-N 0 0 254.420 4.123 10 0 CIAERN CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000035182611 172036057 /nfs/dbraw/zinc/03/60/57/172036057.db2.gz SIHFHUSMMSAGPU-OLZOCXBDSA-N 0 0 250.407 4.406 10 0 CIAERN Cc1ccc(C)c(O[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1 ZINC000035182268 172036083 /nfs/dbraw/zinc/03/60/83/172036083.db2.gz SFOALQUYPQQIKZ-LBPRGKRZSA-N 0 0 290.309 4.232 10 0 CIAERN Cc1cc(C)cc(OCC(=O)c2cc(C)c(C)cc2C)c1 ZINC000035182353 172036293 /nfs/dbraw/zinc/03/62/93/172036293.db2.gz DVHSJDABSHSTMO-UHFFFAOYSA-N 0 0 282.383 4.490 10 0 CIAERN Cc1ccc(OCC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000035183628 172036937 /nfs/dbraw/zinc/03/69/37/172036937.db2.gz HIFDGKXHCARSKL-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN Cc1cccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC000035183709 172036939 /nfs/dbraw/zinc/03/69/39/172036939.db2.gz CJDFHCAKQJKXDO-GFCCVEGCSA-N 0 0 274.747 4.299 10 0 CIAERN Cc1ccc(C(=O)[C@H](C)SCC(C)C)cc1C ZINC000035182961 172036953 /nfs/dbraw/zinc/03/69/53/172036953.db2.gz CJSKNJLUHSUMCC-ZDUSSCGKSA-N 0 0 250.407 4.264 10 0 CIAERN C[C@H](Oc1ccccc1F)C(=O)c1cccc(Cl)c1 ZINC000035183531 172036955 /nfs/dbraw/zinc/03/69/55/172036955.db2.gz AVZFMSVREJDPNU-JTQLQIEISA-N 0 0 278.710 4.129 10 0 CIAERN Cc1cc(C)c(C(=O)CSCC(C)C)c(C)c1 ZINC000035182931 172036961 /nfs/dbraw/zinc/03/69/61/172036961.db2.gz IRBAMCVKYYYULZ-UHFFFAOYSA-N 0 0 250.407 4.184 10 0 CIAERN Cc1ccccc1O[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000035183769 172037253 /nfs/dbraw/zinc/03/72/53/172037253.db2.gz SIHUSPXXMNBLMK-LBPRGKRZSA-N 0 0 274.747 4.299 10 0 CIAERN COc1ccc(C(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000035184001 172037486 /nfs/dbraw/zinc/03/74/86/172037486.db2.gz FVPQJYUVHWTRGU-GFCCVEGCSA-N 0 0 272.369 4.059 10 0 CIAERN Cc1cc(C)c(C(=O)COc2cccc(F)c2)c(C)c1 ZINC000035184071 172037609 /nfs/dbraw/zinc/03/76/09/172037609.db2.gz YDTMOHGEDAZXSL-UHFFFAOYSA-N 0 0 272.319 4.013 10 0 CIAERN CC[C@@H]1CCCCN1c1n[nH]c(=S)n1C1CCCCC1 ZINC000035222087 172064991 /nfs/dbraw/zinc/06/49/91/172064991.db2.gz UPJLLLSYEKCSTE-GFCCVEGCSA-N 0 0 294.468 4.215 10 0 CIAERN Cc1nc2ccccc2n1CCCC(=O)c1cccs1 ZINC000035230324 172071038 /nfs/dbraw/zinc/07/10/38/172071038.db2.gz FADQHVUICPIRTQ-UHFFFAOYSA-N 0 0 284.384 4.069 10 0 CIAERN CNc1ccc(-c2nc3cc(F)ccc3s2)cc1 ZINC000035273886 172093988 /nfs/dbraw/zinc/09/39/88/172093988.db2.gz SYBPJMYBZQECHT-UHFFFAOYSA-N 0 0 258.321 4.144 10 0 CIAERN Cc1cc(Nc2ccc(Br)cc2F)ccc1N ZINC000035277973 172097270 /nfs/dbraw/zinc/09/72/70/172097270.db2.gz FWINJBKXIUDKGJ-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN Cc1cc(Oc2ccc(Br)cc2F)ccc1N ZINC000035278472 172097613 /nfs/dbraw/zinc/09/76/13/172097613.db2.gz GKWGVXPJKQVVGO-UHFFFAOYSA-N 0 0 296.139 4.271 10 0 CIAERN Nc1ccc(Oc2cccc(Cl)c2)c2ccncc12 ZINC000035333060 172131757 /nfs/dbraw/zinc/13/17/57/172131757.db2.gz QXENLAQTQQWPBA-UHFFFAOYSA-N 0 0 270.719 4.263 10 0 CIAERN Cc1cc(C)c(C(=O)c2ccc(Br)o2)c(C)c1 ZINC000035368519 172160270 /nfs/dbraw/zinc/16/02/70/172160270.db2.gz FBBKJGSQIOPFLQ-UHFFFAOYSA-N 0 0 293.160 4.198 10 0 CIAERN Cc1ccsc1C(=O)c1ccc(Br)cc1 ZINC000035368805 172160576 /nfs/dbraw/zinc/16/05/76/172160576.db2.gz JAMRIEIGKWAOAZ-UHFFFAOYSA-N 0 0 281.174 4.050 10 0 CIAERN CCCCCCOc1cc(OCCC)ccc1C=O ZINC000035412725 172184730 /nfs/dbraw/zinc/18/47/30/172184730.db2.gz VFNFGNCJJTYSRB-UHFFFAOYSA-N 0 0 264.365 4.247 10 0 CIAERN CN[C@@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035463976 172211476 /nfs/dbraw/zinc/21/14/76/172211476.db2.gz VCNHQKDGLXEXPT-AWEZNQCLSA-N 0 0 284.161 4.441 10 0 CIAERN CN[C@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035463978 172211707 /nfs/dbraw/zinc/21/17/07/172211707.db2.gz VCNHQKDGLXEXPT-CQSZACIVSA-N 0 0 284.161 4.441 10 0 CIAERN CN[C@H](c1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000035469573 172220977 /nfs/dbraw/zinc/22/09/77/172220977.db2.gz YFSUPJYRKCKQTM-CQSZACIVSA-N 0 0 285.696 4.066 10 0 CIAERN CN[C@@H](c1ccc(F)cc1F)c1c(F)cccc1Cl ZINC000035492160 172226223 /nfs/dbraw/zinc/22/62/23/172226223.db2.gz QXKDZISGVNQAJU-AWEZNQCLSA-N 0 0 285.696 4.066 10 0 CIAERN CCN[C@@H](c1ccc([C@H](C)CC)cc1)C(F)(F)F ZINC000035544058 172251593 /nfs/dbraw/zinc/25/15/93/172251593.db2.gz FCUHZIMEPHNWMU-MFKMUULPSA-N 0 0 259.315 4.413 10 0 CIAERN CCN[C@@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035547311 172255335 /nfs/dbraw/zinc/25/53/35/172255335.db2.gz RQGNXIBJHYLPTL-OAHLLOKOSA-N 0 0 281.733 4.317 10 0 CIAERN CCN[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000035557962 172263754 /nfs/dbraw/zinc/26/37/54/172263754.db2.gz ZEKXRROSFMNMDB-SECBINFHSA-N 0 0 272.097 4.206 10 0 CIAERN CCN[C@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035558647 172264124 /nfs/dbraw/zinc/26/41/24/172264124.db2.gz WZYNGDVWPIPXIC-CYBMUJFWSA-N 0 0 270.159 4.285 10 0 CIAERN CCCN[C@@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035573041 172269027 /nfs/dbraw/zinc/26/90/27/172269027.db2.gz KERSMVQBTYJDDL-VIFPVBQESA-N 0 0 287.297 4.295 10 0 CIAERN CCCN[C@@H](c1ccc(OC(C)C)cc1)C(F)(F)F ZINC000035583780 172282506 /nfs/dbraw/zinc/28/25/06/172282506.db2.gz QUBSJMSHGOCIAQ-ZDUSSCGKSA-N 0 0 275.314 4.077 10 0 CIAERN CC(C)c1ccc(COc2ccccc2[C@@H](C)O)cc1 ZINC000035626783 172305851 /nfs/dbraw/zinc/30/58/51/172305851.db2.gz DONQRNBIDHZDPC-CQSZACIVSA-N 0 0 270.372 4.442 10 0 CIAERN C[C@@H](O)c1ccccc1OCc1ccc(Cl)s1 ZINC000035627059 172306005 /nfs/dbraw/zinc/30/60/05/172306005.db2.gz IMCNRXYICGKTHK-SECBINFHSA-N 0 0 268.765 4.034 10 0 CIAERN C[C@H](O)c1ccccc1OCc1ccc(Cl)s1 ZINC000035627058 172306290 /nfs/dbraw/zinc/30/62/90/172306290.db2.gz IMCNRXYICGKTHK-VIFPVBQESA-N 0 0 268.765 4.034 10 0 CIAERN C[C@H](O)c1ccccc1OCc1ccc(F)cc1Cl ZINC000035627078 172306387 /nfs/dbraw/zinc/30/63/87/172306387.db2.gz POQXBQKVXRUMEB-JTQLQIEISA-N 0 0 280.726 4.111 10 0 CIAERN Cc1ccc(OCc2ccc(Cl)s2)c([C@@H](C)O)c1 ZINC000035630362 172311376 /nfs/dbraw/zinc/31/13/76/172311376.db2.gz WQRQCZDXFWSMHL-SNVBAGLBSA-N 0 0 282.792 4.342 10 0 CIAERN Cc1ccc(OCc2cccc(Cl)c2)c([C@@H](C)O)c1 ZINC000035630177 172311777 /nfs/dbraw/zinc/31/17/77/172311777.db2.gz SFIMKQKGJAQKOO-GFCCVEGCSA-N 0 0 276.763 4.281 10 0 CIAERN Cc1c2cc(C)ccc2oc1[C@@H](N)c1ccc(F)cc1 ZINC000035630523 172312461 /nfs/dbraw/zinc/31/24/61/172312461.db2.gz ZIAVUHUGDMWQDU-INIZCTEOSA-N 0 0 269.319 4.237 10 0 CIAERN CCN(c1ccccc1C)c1cccc(F)c1[C@@H](C)O ZINC000035631229 172313205 /nfs/dbraw/zinc/31/32/05/172313205.db2.gz PXQCNKKHRCHVED-CYBMUJFWSA-N 0 0 273.351 4.345 10 0 CIAERN CCCOc1ccccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000035631978 172314232 /nfs/dbraw/zinc/31/42/32/172314232.db2.gz DKMWLBHPCGVDFH-GFCCVEGCSA-N 0 0 290.334 4.460 10 0 CIAERN Cc1ccc(Oc2cccc(F)c2[C@H](C)O)c(C)c1 ZINC000035632087 172314465 /nfs/dbraw/zinc/31/44/65/172314465.db2.gz QQDDVOROXLNFAN-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN C[C@@H](O)c1cc(F)ccc1Oc1ccccc1Cl ZINC000035632213 172314862 /nfs/dbraw/zinc/31/48/62/172314862.db2.gz GTVMHVXTEHQENF-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN Cc1ccc(Oc2ccc(F)cc2[C@H](C)O)cc1C ZINC000035632245 172314972 /nfs/dbraw/zinc/31/49/72/172314972.db2.gz UBFIBICGXPDYKX-LBPRGKRZSA-N 0 0 260.308 4.288 10 0 CIAERN C[C@H](O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000035632218 172315122 /nfs/dbraw/zinc/31/51/22/172315122.db2.gz JAVSSNMSRWMJKD-VIFPVBQESA-N 0 0 266.699 4.325 10 0 CIAERN CC[C@@H](C(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000035645040 172322074 /nfs/dbraw/zinc/32/20/74/172322074.db2.gz DAAYJBQDRCKIAW-MRXNPFEDSA-N 0 0 254.329 4.072 10 0 in-vitro CIAERN Cc1c(N)cccc1COc1cc(Cl)ccc1Cl ZINC000035649341 172325340 /nfs/dbraw/zinc/32/53/40/172325340.db2.gz KNJDEQTULNIOAU-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN Cc1ccc(C)c(OCc2cccc(N)c2C)c1C ZINC000035649492 172326037 /nfs/dbraw/zinc/32/60/37/172326037.db2.gz DAEMLFZAZBFQCK-UHFFFAOYSA-N 0 0 255.361 4.081 10 0 CIAERN OCc1cc(Cl)cc(Cl)c1OCCc1ccccc1 ZINC000035662583 172340578 /nfs/dbraw/zinc/34/05/78/172340578.db2.gz RISQNSCTZDJUTM-UHFFFAOYSA-N 0 0 297.181 4.107 10 0 CIAERN C[C@@H](Nc1ccc(Br)cc1N)c1cccs1 ZINC000035736753 172389974 /nfs/dbraw/zinc/38/99/74/172389974.db2.gz YQVDCZRREORAAW-MRVPVSSYSA-N 0 0 297.221 4.266 10 0 CIAERN C[C@H](Nc1ccc(Cl)cc1N)c1cccs1 ZINC000035736768 172389985 /nfs/dbraw/zinc/38/99/85/172389985.db2.gz FWBRWAKMFGECPX-QMMMGPOBSA-N 0 0 252.770 4.157 10 0 CIAERN CC[C@@H]1c2ccc(C)cc2CCN1C(=O)c1ccc(F)cc1 ZINC000036113995 172444529 /nfs/dbraw/zinc/44/45/29/172444529.db2.gz HJGHCAPLLKXTNI-GOSISDBHSA-N 0 0 297.373 4.284 10 0 CIAERN CC[C@H]1c2ccc(C)cc2CCN1C(=O)c1cccs1 ZINC000036113988 172444636 /nfs/dbraw/zinc/44/46/36/172444636.db2.gz AIJKWNFLMHMASN-HNNXBMFYSA-N 0 0 285.412 4.206 10 0 CIAERN Cc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)cc1 ZINC000036139677 172463330 /nfs/dbraw/zinc/46/33/30/172463330.db2.gz YQBSDFQOGRLKHR-UHFFFAOYSA-N 0 0 294.398 4.156 10 0 CIAERN CCC(CC)CN(CC)c1ccc(Br)cc1N ZINC000036197511 172509676 /nfs/dbraw/zinc/50/96/76/172509676.db2.gz GTYWXJRIZGVUAA-UHFFFAOYSA-N 0 0 299.256 4.294 10 0 CIAERN Nc1cccc(Nc2cc(Cl)cc(Cl)c2)c1 ZINC000036720395 172657147 /nfs/dbraw/zinc/65/71/47/172657147.db2.gz FPHMDSXXBDNXIN-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN COc1ccc(C(=O)Cc2ccccc2C)c(Cl)c1 ZINC000036767349 172685407 /nfs/dbraw/zinc/68/54/07/172685407.db2.gz DNEZZYZGVBCHSZ-UHFFFAOYSA-N 0 0 274.747 4.082 10 0 CIAERN Fc1ccc2c(c1)[nH]c(=S)n2Cc1ccccc1F ZINC000036891167 172784366 /nfs/dbraw/zinc/78/43/66/172784366.db2.gz WYMQWTZDXSQXJI-UHFFFAOYSA-N 0 0 276.311 4.025 10 0 CIAERN Fc1cc(F)c2nc(C(F)(F)F)cc(Cl)c2c1 ZINC000036913065 172799386 /nfs/dbraw/zinc/79/93/86/172799386.db2.gz PNPOFGFFJIYULM-UHFFFAOYSA-N 0 0 267.584 4.185 10 0 CIAERN O=C(c1ccc(Oc2ccccc2)cc1)C1CCC1 ZINC000036940488 172816941 /nfs/dbraw/zinc/81/69/41/172816941.db2.gz ZSNJLLKKNOVNDY-UHFFFAOYSA-N 0 0 252.313 4.462 10 0 CIAERN Cc1cc(C(=O)Cc2ccccc2Cl)c(C)s1 ZINC000036943972 172819641 /nfs/dbraw/zinc/81/96/41/172819641.db2.gz ZJRZNTOMBPZNOM-UHFFFAOYSA-N 0 0 264.777 4.444 10 0 CIAERN COc1ccc(C(=O)Cc2ccccc2)c2ccccc12 ZINC000036944847 172820584 /nfs/dbraw/zinc/82/05/84/172820584.db2.gz MICRVHNJWJTUML-UHFFFAOYSA-N 0 0 276.335 4.274 10 0 CIAERN C[C@H](Nc1ccc2n[nH]cc2c1)c1cccc(Cl)c1 ZINC000036989478 172852687 /nfs/dbraw/zinc/85/26/87/172852687.db2.gz CSAXUSAHPYSHEJ-JTQLQIEISA-N 0 0 271.751 4.389 10 0 CIAERN C[C@H](Nc1ccccc1N(C)C)c1ccc(F)cc1 ZINC000037086219 172943657 /nfs/dbraw/zinc/94/36/57/172943657.db2.gz LRYQZNIDHWOFBS-LBPRGKRZSA-N 0 0 258.340 4.065 10 0 CIAERN C[C@H]1CCC[C@@H](Nc2cccc(-c3cc[nH]n3)c2)C1 ZINC000037137249 172977071 /nfs/dbraw/zinc/97/70/71/172977071.db2.gz LFKLQISCJKCDSR-GXTWGEPZSA-N 0 0 255.365 4.067 10 0 CIAERN Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1cccnc1 ZINC000037187246 173017305 /nfs/dbraw/zinc/01/73/05/173017305.db2.gz BRCVGIYPACGTGG-JTQLQIEISA-N 0 0 275.421 4.317 10 0 CIAERN Nc1cnccc1SCc1ccc(Cl)cc1Cl ZINC000037190227 173019611 /nfs/dbraw/zinc/01/96/11/173019611.db2.gz QFAQBPLRPZIMRM-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN Cc1cc(N)ccc1SCc1ncc(C(C)(C)C)o1 ZINC000037193454 173023266 /nfs/dbraw/zinc/02/32/66/173023266.db2.gz CZWCCRRVBRZMKP-UHFFFAOYSA-N 0 0 276.405 4.155 10 0 CIAERN COc1ccccc1C[C@H](C)Nc1cccc(Cl)c1 ZINC000037202492 173026219 /nfs/dbraw/zinc/02/62/19/173026219.db2.gz UKYSIPRNOMKGNU-LBPRGKRZSA-N 0 0 275.779 4.392 10 0 CIAERN Cc1ccc2sc(-c3ccc(C)c(N)c3)nc2c1 ZINC000037204425 173026487 /nfs/dbraw/zinc/02/64/87/173026487.db2.gz NQHQWWSDEIDFDO-UHFFFAOYSA-N 0 0 254.358 4.162 10 0 CIAERN Nc1cccc(Cl)c1SCc1nc2ccccc2o1 ZINC000037204105 173026892 /nfs/dbraw/zinc/02/68/92/173026892.db2.gz ONLKHKDAHOWOKZ-UHFFFAOYSA-N 0 0 290.775 4.356 10 0 CIAERN Cc1ccc2sc(-c3ccc(N)c(C)c3)nc2c1 ZINC000037204443 173026987 /nfs/dbraw/zinc/02/69/87/173026987.db2.gz OUHHVDMKPKENFZ-UHFFFAOYSA-N 0 0 254.358 4.162 10 0 CIAERN Fc1ccc2sc(Nc3cc(F)cc(F)c3)nc2c1 ZINC000037206739 173027527 /nfs/dbraw/zinc/02/75/27/173027527.db2.gz LFWQRUVGGJBJJF-UHFFFAOYSA-N 0 0 280.274 4.457 10 0 CIAERN Fc1ccc2sc(NCC3CCCC3)nc2c1 ZINC000037258898 173069137 /nfs/dbraw/zinc/06/91/37/173069137.db2.gz SRZLXUFAKGFEHG-UHFFFAOYSA-N 0 0 250.342 4.038 10 0 CIAERN CC(C)C[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000037265119 173074169 /nfs/dbraw/zinc/07/41/69/173074169.db2.gz RIPQQFZEKTZCRN-LURJTMIESA-N 0 0 267.241 4.229 10 0 CIAERN CSc1nc2ccc(N[C@@H]3C[C@H]4CC=C[C@@H]43)cc2s1 ZINC000037278531 173088243 /nfs/dbraw/zinc/08/82/43/173088243.db2.gz LNUHAYQIOCNVAK-SUZMYJTESA-N 0 0 288.441 4.395 10 0 CIAERN COc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1F ZINC000037290287 173095244 /nfs/dbraw/zinc/09/52/44/173095244.db2.gz ZGFRBEOVJKDJEZ-WCQYABFASA-N 0 0 265.372 4.461 10 0 CIAERN Nc1cc(-c2ccco2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000037291250 173096674 /nfs/dbraw/zinc/09/66/74/173096674.db2.gz LNWCMOKDZQIBGM-UHFFFAOYSA-N 0 0 294.141 4.021 10 0 CIAERN CC[C@H](Nc1cc(OC)ccc1OC(F)F)C(C)C ZINC000037293339 173097826 /nfs/dbraw/zinc/09/78/26/173097826.db2.gz WFQMAKZPFZIEPR-NSHDSACASA-N 0 0 273.323 4.143 10 0 CIAERN CC[C@@H](Nc1cc(OC)ccc1OC(F)F)C(C)C ZINC000037293340 173097918 /nfs/dbraw/zinc/09/79/18/173097918.db2.gz WFQMAKZPFZIEPR-LLVKDONJSA-N 0 0 273.323 4.143 10 0 CIAERN CCCCCCNc1ccc(C(=O)OCCC)cc1 ZINC000037301475 173107387 /nfs/dbraw/zinc/10/73/87/173107387.db2.gz SOVSEPDEHSDAFM-UHFFFAOYSA-N 0 0 263.381 4.246 10 0 CIAERN Clc1cc(CNc2ccccc2Cl)cc2c1OCO2 ZINC000037302489 173108060 /nfs/dbraw/zinc/10/80/60/173108060.db2.gz STIOFWBAWZIVDA-UHFFFAOYSA-N 0 0 296.153 4.334 10 0 CIAERN Oc1ccc(N[C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000037316917 173117382 /nfs/dbraw/zinc/11/73/82/173117382.db2.gz YGAPSDSVDTVLDT-INIZCTEOSA-N 0 0 257.308 4.095 10 0 CIAERN CC(C)(C)c1ccc(COc2ccc(O)cc2)cc1 ZINC000037324185 173125069 /nfs/dbraw/zinc/12/50/69/173125069.db2.gz NULRXQLUWVWDDG-UHFFFAOYSA-N 0 0 256.345 4.269 10 0 CIAERN Cc1ccc(-n2nc(C(C)C)c(C=O)c2Cl)cc1Cl ZINC000037326866 173127898 /nfs/dbraw/zinc/12/78/98/173127898.db2.gz SEJQEBZCMCOEHF-UHFFFAOYSA-N 0 0 297.185 4.423 10 0 CIAERN Cc1ccc(CC[C@H]2CCc3ccccc3N2)cc1 ZINC000037328181 173128588 /nfs/dbraw/zinc/12/85/88/173128588.db2.gz LDXKICAZONFRAZ-KRWDZBQOSA-N 0 0 251.373 4.355 10 0 CIAERN CC[C@H]1CCCC[C@H]1OCC(=O)c1ccccc1C ZINC000037342280 173142476 /nfs/dbraw/zinc/14/24/76/173142476.db2.gz OVFPDIUFYUDRBY-WMLDXEAASA-N 0 0 260.377 4.163 10 0 CIAERN CC(C)c1nccn1[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037340394 173142617 /nfs/dbraw/zinc/14/26/17/173142617.db2.gz MINPKJJEGCPRHQ-NSHDSACASA-N 0 0 276.767 4.104 10 0 CIAERN Cc1ccc(C(=O)CO[C@@H]2CCCC[C@H]2C)cc1C ZINC000037343699 173143243 /nfs/dbraw/zinc/14/32/43/173143243.db2.gz PYAYEOBHZMZNTE-CXAGYDPISA-N 0 0 260.377 4.081 10 0 CIAERN CC(C)(C)Cc1[nH]nc(N)c1-c1c(F)cccc1Cl ZINC000037348467 173143998 /nfs/dbraw/zinc/14/39/98/173143998.db2.gz MANGYUPSSMHNCM-UHFFFAOYSA-N 0 0 281.762 4.040 10 0 CIAERN Cc1ccsc1-c1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000037348762 173144055 /nfs/dbraw/zinc/14/40/55/173144055.db2.gz LSQJZJXUSMAJPK-UHFFFAOYSA-N 0 0 289.791 4.349 10 0 CIAERN O=C(Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000037357757 173147567 /nfs/dbraw/zinc/14/75/67/173147567.db2.gz JBLGRVNGHUZYDQ-UHFFFAOYSA-N 0 0 266.674 4.044 10 0 CIAERN O=C(c1ccc2c(c1)CCO2)c1cccc(Cl)c1Cl ZINC000037358728 173148606 /nfs/dbraw/zinc/14/86/06/173148606.db2.gz FELOBIUYXVHTTH-UHFFFAOYSA-N 0 0 293.149 4.159 10 0 CIAERN CCOc1ccc(C(C)=O)cc1CS[C@H](C)CC ZINC000037382059 173167608 /nfs/dbraw/zinc/16/76/08/173167608.db2.gz HSAIEPJWPFPMDW-LLVKDONJSA-N 0 0 266.406 4.320 10 0 CIAERN Nc1cc(COc2cccc(Cl)c2)ccc1Cl ZINC000037402702 173178878 /nfs/dbraw/zinc/17/88/78/173178878.db2.gz FXCYHUXJVSJZHD-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN Nc1cc(CSc2ccc(F)c(F)c2)ccc1Cl ZINC000037402992 173179268 /nfs/dbraw/zinc/17/92/68/173179268.db2.gz HLTGTIPILLXAKN-UHFFFAOYSA-N 0 0 285.746 4.493 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000037409175 173185933 /nfs/dbraw/zinc/18/59/33/173185933.db2.gz DUFONEDPTCJAET-KOLCDFICSA-N 0 0 276.767 4.466 10 0 CIAERN Nc1cc(Cl)c(OCCc2ccccc2)c(Cl)c1 ZINC000037428684 173199574 /nfs/dbraw/zinc/19/95/74/173199574.db2.gz SOCYOMURDSPOIA-UHFFFAOYSA-N 0 0 282.170 4.197 10 0 CIAERN CC(C)n1c2ccc(F)cc2nc1-c1ccccc1N ZINC000037439763 173209520 /nfs/dbraw/zinc/20/95/20/173209520.db2.gz YSLZREPEXNDOMV-UHFFFAOYSA-N 0 0 269.323 4.006 10 0 CIAERN CCCn1c2ccc(Cl)cc2nc1-c1sccc1N ZINC000037440486 173210204 /nfs/dbraw/zinc/21/02/04/173210204.db2.gz QRCVCWIOVRSGKL-UHFFFAOYSA-N 0 0 291.807 4.410 10 0 CIAERN CCOc1ccc(OCC)c(N[C@H](C)C2(C)CC2)c1 ZINC000037467699 173227242 /nfs/dbraw/zinc/22/72/42/173227242.db2.gz DNWUOWQCEDCKBW-GFCCVEGCSA-N 0 0 263.381 4.085 10 0 CIAERN Cc1nn(C)c(Cl)c1CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000037515477 173246784 /nfs/dbraw/zinc/24/67/84/173246784.db2.gz QTRZSWXRADBABP-PWSUYJOCSA-N 0 0 284.831 4.113 10 0 CIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)c1ccc(F)cc1 ZINC000037528886 173252274 /nfs/dbraw/zinc/25/22/74/173252274.db2.gz NJOCKPZXTWSLEW-UHOFOFEASA-N 0 0 250.357 4.106 10 0 CIAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)Cc1ccc(F)cc1 ZINC000037530092 173252979 /nfs/dbraw/zinc/25/29/79/173252979.db2.gz HTOARTFWCAJYMS-NVXWUHKLSA-N 0 0 264.384 4.336 10 0 CIAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)Cc1ccc(F)cc1 ZINC000037530089 173253020 /nfs/dbraw/zinc/25/30/20/173253020.db2.gz HTOARTFWCAJYMS-RDJZCZTQSA-N 0 0 264.384 4.336 10 0 CIAERN CCC[C@@](O)(Cc1ccccc1C)c1ccccc1 ZINC000037531426 173253507 /nfs/dbraw/zinc/25/35/07/173253507.db2.gz KNHCGUNJENODQG-GOSISDBHSA-N 0 0 254.373 4.225 10 0 CIAERN CC(C)CC(=O)C(c1ccccc1)c1ccccc1 ZINC000037531983 173253576 /nfs/dbraw/zinc/25/35/76/173253576.db2.gz XYMRCFYIYWVTOS-UHFFFAOYSA-N 0 0 252.357 4.434 10 0 CIAERN CCc1ccc(C(=O)Cc2cccc(Cl)c2)cc1 ZINC000037531927 173253609 /nfs/dbraw/zinc/25/36/09/173253609.db2.gz GAXNNULSHDIVCG-UHFFFAOYSA-N 0 0 258.748 4.328 10 0 CIAERN O[C@H](Cc1ccccc1Cl)c1cccc(Cl)c1 ZINC000037532487 173253784 /nfs/dbraw/zinc/25/37/84/173253784.db2.gz HUXWGGGQPRSCBE-CQSZACIVSA-N 0 0 267.155 4.270 10 0 CIAERN O[C@H](Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000037532463 173253988 /nfs/dbraw/zinc/25/39/88/173253988.db2.gz NLIISNXFCQKNSF-CQSZACIVSA-N 0 0 267.155 4.270 10 0 CIAERN Cc1c2ccccc2sc1[C@@H](C)Nc1ccn(C)n1 ZINC000037560754 173271236 /nfs/dbraw/zinc/27/12/36/173271236.db2.gz VJIYMQNBWYEMSP-LLVKDONJSA-N 0 0 271.389 4.116 10 0 CIAERN Cc1cc([C@H](O)Cc2ccccc2Cl)ccc1F ZINC000037734673 173653867 /nfs/dbraw/zinc/65/38/67/173653867.db2.gz ODQZCRRXDYQIGQ-OAHLLOKOSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1cc(C)cc([C@](C)(O)c2ccccc2Cl)c1 ZINC000037745881 173668050 /nfs/dbraw/zinc/66/80/50/173668050.db2.gz AHKSAHZRRNRKDA-INIZCTEOSA-N 0 0 260.764 4.213 10 0 CIAERN CCOc1cc(C)ccc1NCc1ccc(C)cc1 ZINC000037777973 173708972 /nfs/dbraw/zinc/70/89/72/173708972.db2.gz QRDXZXNNBXZACU-UHFFFAOYSA-N 0 0 255.361 4.314 10 0 CIAERN C[C@H](O)c1c(F)cccc1Oc1ccc(F)cc1Cl ZINC000037902345 173833004 /nfs/dbraw/zinc/83/30/04/173833004.db2.gz QARZVXVSFJTNGN-QMMMGPOBSA-N 0 0 284.689 4.464 10 0 CIAERN C[C@@H](O)c1c(F)cccc1Oc1ccc(F)cc1Cl ZINC000037902346 173833285 /nfs/dbraw/zinc/83/32/85/173833285.db2.gz QARZVXVSFJTNGN-MRVPVSSYSA-N 0 0 284.689 4.464 10 0 CIAERN Cc1cc(Oc2ccc(Cl)nn2)ccc1C(C)C ZINC000037977906 173934452 /nfs/dbraw/zinc/93/44/52/173934452.db2.gz RLUPNMQRRVRGBP-UHFFFAOYSA-N 0 0 262.740 4.354 10 0 CIAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(F)cc1 ZINC000037982899 173944039 /nfs/dbraw/zinc/94/40/39/173944039.db2.gz FBWIXDNFMUQWSW-NSHDSACASA-N 0 0 291.753 4.312 10 0 CIAERN CCc1c(C)[nH]c2c(Oc3ccccc3)cccc2c1=O ZINC000038005133 173967259 /nfs/dbraw/zinc/96/72/59/173967259.db2.gz QNKPXJOWKVZTDE-UHFFFAOYSA-N 0 0 279.339 4.191 10 0 CIAERN Nc1cc(F)c(Nc2cccc3c2CCCC3)c(F)c1 ZINC000038039966 174039945 /nfs/dbraw/zinc/03/99/45/174039945.db2.gz DLSVMJTWBVERAR-UHFFFAOYSA-N 0 0 274.314 4.169 10 0 CIAERN Nc1cc(F)c(Oc2ccc3ccccc3c2)c(F)c1 ZINC000038040283 174040473 /nfs/dbraw/zinc/04/04/73/174040473.db2.gz KTECEXDBJAKPFH-UHFFFAOYSA-N 0 0 271.266 4.493 10 0 CIAERN CNc1ccc(OCc2ccccc2Br)cc1 ZINC000038057107 174067926 /nfs/dbraw/zinc/06/79/26/174067926.db2.gz KGZCQMDWEFTIKG-UHFFFAOYSA-N 0 0 292.176 4.070 10 0 CIAERN O=Cc1cccc(-c2ccc(SC(F)F)cc2)c1 ZINC000038069709 174081217 /nfs/dbraw/zinc/08/12/17/174081217.db2.gz PYSHNARBWKIEBO-UHFFFAOYSA-N 0 0 264.296 4.481 10 0 CIAERN Cc1cc(Cl)cc(C)c1Oc1cncc(Cl)n1 ZINC000038082214 174091018 /nfs/dbraw/zinc/09/10/18/174091018.db2.gz XYFWPIKEKJUTTG-UHFFFAOYSA-N 0 0 269.131 4.193 10 0 CIAERN Cc1ccc(C(C)C)c(Oc2ccc(Cl)nn2)c1 ZINC000038082261 174091120 /nfs/dbraw/zinc/09/11/20/174091120.db2.gz VJBIAFLCVZYCKP-UHFFFAOYSA-N 0 0 262.740 4.354 10 0 CIAERN O=C(Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000038127034 174131373 /nfs/dbraw/zinc/13/13/73/174131373.db2.gz OEQSUORFDFZEKR-UHFFFAOYSA-N 0 0 265.139 4.419 10 0 CIAERN Cc1ccccc1CC(=O)c1ccccc1Br ZINC000038126881 174131916 /nfs/dbraw/zinc/13/19/16/174131916.db2.gz GZUYQENOERGQJS-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN COc1ccc(Nc2cncc(-c3cccc(O)c3)c2)cc1 ZINC000038236593 174137622 /nfs/dbraw/zinc/13/76/22/174137622.db2.gz IUZKQQXPXLIICJ-UHFFFAOYSA-N 0 0 292.338 4.206 10 0 CIAERN FC(F)(F)c1cc(-c2cccs2)nc(C(F)(F)F)n1 ZINC000038341514 174139955 /nfs/dbraw/zinc/13/99/55/174139955.db2.gz MIXAWDWSEXAZSS-UHFFFAOYSA-N 0 0 298.211 4.243 10 0 CIAERN CC1=C[C@@H](c2ccccc2)c2c(=O)oc3ccccc3c2O1 ZINC000038600330 174149311 /nfs/dbraw/zinc/14/93/11/174149311.db2.gz KMPSOFDQEUDDIF-HNNXBMFYSA-N 0 0 290.318 4.221 10 0 in-vitro CIAERN CCCCCC(=O)CCCCc1ccc(O)c(OC)c1 ZINC000038611992 174149669 /nfs/dbraw/zinc/14/96/69/174149669.db2.gz IKCUWBHTOKPRNS-UHFFFAOYSA-N 0 0 278.392 4.263 10 0 CIAERN O=Cc1c(Cl)n(Cc2ccccc2)c2ccccc12 ZINC000039023059 174161474 /nfs/dbraw/zinc/16/14/74/174161474.db2.gz CHEIMHAFRQLQPF-UHFFFAOYSA-N 0 0 269.731 4.156 10 0 CIAERN CC(C)(C)[C@H]1CCC(=O)[C@@H](CC(=O)c2ccccc2)C1 ZINC000039194488 174164866 /nfs/dbraw/zinc/16/48/66/174164866.db2.gz OPWJLYPXLLWOHU-CABCVRRESA-N 0 0 272.388 4.291 10 0 CIAERN O=C(Oc1snc2ccc(Cl)cc21)c1ccccc1 ZINC000039213098 174166199 /nfs/dbraw/zinc/16/61/99/174166199.db2.gz UKGRXGUQDLLCDD-UHFFFAOYSA-N 0 0 289.743 4.169 10 0 CIAERN CCOP(=O)(Cc1cccc2cccnc21)OCC ZINC000039256454 174167355 /nfs/dbraw/zinc/16/73/55/174167355.db2.gz IKUQVNMRRJHGJC-UHFFFAOYSA-N 0 0 279.276 4.001 10 0 CIAERN CCc1ccc(C(=O)Oc2ccc(Cl)cc2C)cc1 ZINC000039599153 174170508 /nfs/dbraw/zinc/17/05/08/174170508.db2.gz DLBVLDCJLFUZIO-UHFFFAOYSA-N 0 0 274.747 4.430 10 0 CIAERN O[C@H](c1nc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000039614586 174170844 /nfs/dbraw/zinc/17/08/44/174170844.db2.gz OCJRFRBMEAKAPG-ZDUSSCGKSA-N 0 0 294.137 4.216 10 0 CIAERN Fc1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963723 174179668 /nfs/dbraw/zinc/17/96/68/174179668.db2.gz GPFFGVHWLLEDBJ-UHFFFAOYSA-N 0 0 256.255 4.257 10 0 CIAERN COc1ccc(OC)c(Nc2ccnc3c(F)cccc23)c1 ZINC000039963710 174179671 /nfs/dbraw/zinc/17/96/71/174179671.db2.gz WLNURXPJNWSNBW-UHFFFAOYSA-N 0 0 298.317 4.135 10 0 CIAERN Fc1ccc(Nc2ccnc3c(F)cccc23)c(F)c1 ZINC000039963722 174179903 /nfs/dbraw/zinc/17/99/03/174179903.db2.gz IAIAPBJWRQMZNF-UHFFFAOYSA-N 0 0 274.245 4.396 10 0 CIAERN CCOC(=O)c1ccccc1-c1ccc(C)cc1C ZINC000040174821 174200756 /nfs/dbraw/zinc/20/07/56/174200756.db2.gz WVTBBSRLEKAVLR-UHFFFAOYSA-N 0 0 254.329 4.147 10 0 CIAERN CCOC(=O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000040174799 174201007 /nfs/dbraw/zinc/20/10/07/174201007.db2.gz XFNIPVYRRGZUJL-UHFFFAOYSA-N 0 0 260.720 4.184 10 0 CIAERN CC(=O)c1cc2c(o1)c(C)cc(Br)c2C ZINC000040175356 174201112 /nfs/dbraw/zinc/20/11/12/174201112.db2.gz HMGKWSVCWRODKY-UHFFFAOYSA-N 0 0 267.122 4.015 10 0 CIAERN Cc1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000040224704 174207781 /nfs/dbraw/zinc/20/77/81/174207781.db2.gz SANGWDDCEKVTIF-UHFFFAOYSA-N 0 0 280.371 4.041 10 0 CIAERN Cc1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000040224635 174207999 /nfs/dbraw/zinc/20/79/99/174207999.db2.gz TZSRFANYVFXOMU-UHFFFAOYSA-N 0 0 280.371 4.041 10 0 CIAERN Cc1nc2ccccc2n1CCCCOc1ccccc1 ZINC000040224706 174208067 /nfs/dbraw/zinc/20/80/67/174208067.db2.gz KQRUCDHFMLJBNV-UHFFFAOYSA-N 0 0 280.371 4.204 10 0 CIAERN CCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000040227429 174208619 /nfs/dbraw/zinc/20/86/19/174208619.db2.gz KQVJAFAOYXOSTK-UHFFFAOYSA-N 0 0 294.398 4.295 10 0 CIAERN CCc1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000040227361 174208804 /nfs/dbraw/zinc/20/88/04/174208804.db2.gz KLGUUDKSLFPLDK-UHFFFAOYSA-N 0 0 294.398 4.295 10 0 CIAERN CCOCCn1c2ccccc2nc1C1CCCCC1 ZINC000040231535 174210009 /nfs/dbraw/zinc/21/00/09/174210009.db2.gz JLFJOJISBCQSOP-UHFFFAOYSA-N 0 0 272.392 4.121 10 0 CIAERN O[C@@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000040244025 174214266 /nfs/dbraw/zinc/21/42/66/174214266.db2.gz QNAWVPKEGJUCNH-ZDUSSCGKSA-N 0 0 253.128 4.075 10 0 CIAERN Cc1ccc([C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000040244281 174214303 /nfs/dbraw/zinc/21/43/03/174214303.db2.gz BVSIWNHEBVFGOC-AWEZNQCLSA-N 0 0 267.155 4.384 10 0 CIAERN O[C@@H](c1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000040243890 174214401 /nfs/dbraw/zinc/21/44/01/174214401.db2.gz HTQGCBQPRLFSGD-ZDUSSCGKSA-N 0 0 271.118 4.214 10 0 CIAERN CC[C@@H](C)c1ccc([C@@H](O)c2ccc(F)cc2)cc1 ZINC000040246650 174214928 /nfs/dbraw/zinc/21/49/28/174214928.db2.gz CZRKXVSCXMXMMG-SJKOYZFVSA-N 0 0 258.336 4.421 10 0 CIAERN Cc1c(Cl)ccc2c(NC(=O)c3ccccc3)ccnc12 ZINC000040359215 174246298 /nfs/dbraw/zinc/24/62/98/174246298.db2.gz YOYWSKXHNGTVJX-UHFFFAOYSA-N 0 0 296.757 4.449 10 0 CIAERN c1coc(Cn2c3ccccc3nc2-c2cccs2)c1 ZINC000040390302 174252185 /nfs/dbraw/zinc/25/21/85/174252185.db2.gz JBJFGXGFDWLNKN-UHFFFAOYSA-N 0 0 280.352 4.406 10 0 CIAERN COc1ccccc1N(C)c1nc(Cl)nc2ccccc21 ZINC000040391189 174252379 /nfs/dbraw/zinc/25/23/79/174252379.db2.gz BZVWKGZJSRCTMQ-UHFFFAOYSA-N 0 0 299.761 4.060 10 0 CIAERN CC(C)c1nc2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409803 174254694 /nfs/dbraw/zinc/25/46/94/174254694.db2.gz WJEFGRAVRBDPME-UHFFFAOYSA-N 0 0 274.751 4.454 10 0 CIAERN CCn1c2cc(Cl)ccc2nc1Cc1ccccc1 ZINC000040417195 174256110 /nfs/dbraw/zinc/25/61/10/174256110.db2.gz WONSBVDZNRUFOO-UHFFFAOYSA-N 0 0 270.763 4.300 10 0 CIAERN CCOC(=O)/C=C/c1ccc(-c2cccc(Cl)c2C)o1 ZINC000040537926 174321457 /nfs/dbraw/zinc/32/14/57/174321457.db2.gz WYRBMODXVRTSBU-CSKARUKUSA-N 0 0 290.746 4.485 10 0 CIAERN COc1ccc(-c2nc(SC)[nH]c2-c2ccccc2)cc1 ZINC000040631762 174358194 /nfs/dbraw/zinc/35/81/94/174358194.db2.gz WOZSPIHZOUVNAO-UHFFFAOYSA-N 0 0 296.395 4.474 10 0 CIAERN CCCCC1CCC(C(=O)NC2CCCCC2)CC1 ZINC000040949077 174437606 /nfs/dbraw/zinc/43/76/06/174437606.db2.gz LFXFEUDJLGPZCQ-UHFFFAOYSA-N 0 0 265.441 4.432 10 0 CIAERN CCCCCOc1ccc(NC(=O)CC(C)C)cc1 ZINC000040946625 174437922 /nfs/dbraw/zinc/43/79/22/174437922.db2.gz METGBNOBKYFRKK-UHFFFAOYSA-N 0 0 263.381 4.240 10 0 CIAERN Cc1c(-c2ccc(F)cc2)nc2sc(CC(C)C)nn12 ZINC000040963863 174440548 /nfs/dbraw/zinc/44/05/48/174440548.db2.gz COGJICGWWPNJLP-UHFFFAOYSA-N 0 0 289.379 4.104 10 0 CIAERN Cc1ccc(-c2cn3nc(CC(C)C)sc3n2)c(C)c1 ZINC000040964801 174440910 /nfs/dbraw/zinc/44/09/10/174440910.db2.gz HLWPYLZAKHFQNJ-UHFFFAOYSA-N 0 0 285.416 4.273 10 0 CIAERN COc1ccc2c(ccn2Cc2ccccc2C)c1 ZINC000041321164 174517734 /nfs/dbraw/zinc/51/77/34/174517734.db2.gz NIGWECRLPKHNLG-UHFFFAOYSA-N 0 0 251.329 4.007 10 0 CIAERN Cc1ccc(-c2noc(N)c2-c2ccccc2F)cc1 ZINC000041387322 174542734 /nfs/dbraw/zinc/54/27/34/174542734.db2.gz GYAKEPOSSXDULX-UHFFFAOYSA-N 0 0 268.291 4.038 10 0 CIAERN Cc1cccc(C[C@@H](CO)Cc2c(F)cccc2Cl)c1 ZINC000041482973 174560156 /nfs/dbraw/zinc/56/01/56/174560156.db2.gz CIOITJNEMYLBDF-CQSZACIVSA-N 0 0 292.781 4.181 10 0 CIAERN Fc1ccc(NCCOc2cccc3ccccc32)cc1 ZINC000041571263 174569259 /nfs/dbraw/zinc/56/92/59/174569259.db2.gz UXNWMUOHXWUEQY-UHFFFAOYSA-N 0 0 281.330 4.470 10 0 CIAERN Cc1c(N)cccc1C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000041580987 174571209 /nfs/dbraw/zinc/57/12/09/174571209.db2.gz UFZYZYFIRMBFLS-QEORTHHSSA-N 0 0 289.419 4.195 10 0 CIAERN CCc1ccc2ncc(Br)c(Cl)c2c1 ZINC000041702267 174608052 /nfs/dbraw/zinc/60/80/52/174608052.db2.gz PNSMDCRNYPTJAU-UHFFFAOYSA-N 0 0 270.557 4.213 10 0 CIAERN CCc1cccc2c(Br)c(Cl)cnc12 ZINC000041702589 174608633 /nfs/dbraw/zinc/60/86/33/174608633.db2.gz PNHDRIYTTWYLJG-UHFFFAOYSA-N 0 0 270.557 4.213 10 0 CIAERN Cc1cc2ncc(Br)c(Cl)c2cc1C ZINC000041702400 174608649 /nfs/dbraw/zinc/60/86/49/174608649.db2.gz QRCKWLYOXKIYLW-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN CCCCN(c1cccc(F)c1[C@H](C)O)[C@@H](C)CC ZINC000042608520 174820858 /nfs/dbraw/zinc/82/08/58/174820858.db2.gz DVGBCDMMCMEEJA-STQMWFEESA-N 0 0 267.388 4.284 10 0 CIAERN C[C@@H]1CCCC[C@@H]1CNc1ccc(Cl)cc1N ZINC000042860193 174893043 /nfs/dbraw/zinc/89/30/43/174893043.db2.gz SPIZKXRHUHOSTN-GHMZBOCLSA-N 0 0 252.789 4.160 10 0 CIAERN CC(C)[C@H](C)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000043465622 175052836 /nfs/dbraw/zinc/05/28/36/175052836.db2.gz DTNIXHMKAWDGPZ-QMMMGPOBSA-N 0 0 275.179 4.159 10 0 CIAERN Cc1cc(F)ccc1NCc1ccc(O)c(Cl)c1 ZINC000043476929 175054522 /nfs/dbraw/zinc/05/45/22/175054522.db2.gz LXHLFDTYMUOAEE-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN Cc1ccccc1Cc1nc(-c2cccc(N)c2)cs1 ZINC000043560406 175066490 /nfs/dbraw/zinc/06/64/90/175066490.db2.gz OCNKIRJQNCSKIK-UHFFFAOYSA-N 0 0 280.396 4.292 10 0 CIAERN CCc1ccc([C@@H](O)c2cc(C)sc2C)s1 ZINC000043640397 175084530 /nfs/dbraw/zinc/08/45/30/175084530.db2.gz NJHBDBKIKMSJKX-ZDUSSCGKSA-N 0 0 252.404 4.071 10 0 CIAERN O[C@H](CCc1ccc(Cl)s1)c1ccccc1 ZINC000043656478 175085789 /nfs/dbraw/zinc/08/57/89/175085789.db2.gz VAXJUDMBFIQJME-GFCCVEGCSA-N 0 0 252.766 4.068 10 0 CIAERN Brc1ccc(COC2CCCCC2)s1 ZINC000043679124 175090016 /nfs/dbraw/zinc/09/00/16/175090016.db2.gz LWXGESQWIRJQRZ-UHFFFAOYSA-N 0 0 275.211 4.360 10 0 CIAERN CC(C)C[C@H](C)OCc1ccc(Br)s1 ZINC000043679532 175090734 /nfs/dbraw/zinc/09/07/34/175090734.db2.gz PIOWHKYJINUEOL-VIFPVBQESA-N 0 0 277.227 4.462 10 0 CIAERN COc1ccccc1OCc1cc(Br)cs1 ZINC000043687541 175094883 /nfs/dbraw/zinc/09/48/83/175094883.db2.gz MHVDGGDKFNRIJO-UHFFFAOYSA-N 0 0 299.189 4.098 10 0 CIAERN Cc1ccccc1OCc1cc(Br)cs1 ZINC000043687537 175094960 /nfs/dbraw/zinc/09/49/60/175094960.db2.gz MXLXPKQVOAOZNC-UHFFFAOYSA-N 0 0 283.190 4.398 10 0 CIAERN Fc1cccc(-c2csc(Br)c2)c1 ZINC000044121026 175142581 /nfs/dbraw/zinc/14/25/81/175142581.db2.gz UQQUGVCPXAJHPZ-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN COc1cccc(-c2csc(Br)c2)c1 ZINC000044121036 175142900 /nfs/dbraw/zinc/14/29/00/175142900.db2.gz KCHIATBXCNMQDC-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN Cc1ccc2occ(/C=C\c3ccccc3)c(=O)c2c1 ZINC000044605949 175216121 /nfs/dbraw/zinc/21/61/21/175216121.db2.gz IFQHDNJVTFYZAR-HJWRWDBZSA-N 0 0 262.308 4.272 10 0 CIAERN Cc1ccccc1CSCC(=O)c1ccc(F)cc1 ZINC000047820247 175413961 /nfs/dbraw/zinc/41/39/61/175413961.db2.gz RMGIELAHFYCNCT-UHFFFAOYSA-N 0 0 274.360 4.250 10 0 CIAERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)c1ccccc1 ZINC000047821768 175414102 /nfs/dbraw/zinc/41/41/02/175414102.db2.gz HYFCXLCEDLDLKJ-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN C/C(=C\c1ccccc1)c1cc(=O)c2ccccc2o1 ZINC000049582934 175489797 /nfs/dbraw/zinc/48/97/97/175489797.db2.gz YAPYGARUFVRIHX-ACCUITESSA-N 0 0 262.308 4.354 10 0 CIAERN CCOC(=O)Cc1ccc(-c2coc3ccccc32)cc1 ZINC000059994338 175635473 /nfs/dbraw/zinc/63/54/73/175635473.db2.gz CRXKRUWRXICIOF-UHFFFAOYSA-N 0 0 280.323 4.205 10 0 CIAERN Oc1cccnc1-c1cccc(OCc2ccccc2)c1 ZINC000065339643 175709877 /nfs/dbraw/zinc/70/98/77/175709877.db2.gz YFEUOZMGHPTWOR-UHFFFAOYSA-N 0 0 277.323 4.033 10 0 CIAERN Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000070236472 175882800 /nfs/dbraw/zinc/88/28/00/175882800.db2.gz IPVWLRTUNGXSAZ-UHFFFAOYSA-N 0 0 250.700 4.367 10 0 CIAERN CC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000070848915 176008939 /nfs/dbraw/zinc/00/89/39/176008939.db2.gz SGTAJGHTPFKDGM-UHFFFAOYSA-N 0 0 272.156 4.320 10 0 CIAERN Fc1ccc(C(F)(F)F)cc1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000071139134 176037810 /nfs/dbraw/zinc/03/78/10/176037810.db2.gz DCUZCOGDGUOSFC-UBHAPETDSA-N 0 0 271.257 4.221 10 0 CIAERN Cc1cccc(Oc2nnc(Cl)c(C)c2C)c1C ZINC000071170750 176051359 /nfs/dbraw/zinc/05/13/59/176051359.db2.gz NESHAWRHQBXDCK-UHFFFAOYSA-N 0 0 262.740 4.156 10 0 CIAERN Cc1cc(C(=O)C(C)(C)Br)ccc1Cl ZINC000071423412 176160873 /nfs/dbraw/zinc/16/08/73/176160873.db2.gz MXLKNVDMVZNFIN-UHFFFAOYSA-N 0 0 275.573 4.005 10 0 CIAERN Cc1ccc2c(C=O)c(Cl)n(Cc3ccccc3)c2c1 ZINC000071466390 176182589 /nfs/dbraw/zinc/18/25/89/176182589.db2.gz RVDACYNQZABMKP-UHFFFAOYSA-N 0 0 283.758 4.464 10 0 CIAERN Cc1[nH]c2c(cccc2C(C)C)c1Br ZINC000071494954 176191800 /nfs/dbraw/zinc/19/18/00/176191800.db2.gz WQEVHFNPCXHPMG-UHFFFAOYSA-N 0 0 252.155 4.362 10 0 CIAERN CC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000071585654 176211450 /nfs/dbraw/zinc/21/14/50/176211450.db2.gz VLAOPISSLWQWJI-UHFFFAOYSA-N 0 0 259.374 4.310 10 0 CIAERN Nc1ccc2cc(-c3ccccc3Cl)ccc2n1 ZINC000072142341 176323519 /nfs/dbraw/zinc/32/35/19/176323519.db2.gz CLWNPHZHMCTISO-UHFFFAOYSA-N 0 0 254.720 4.137 10 0 CIAERN COc1ccccc1-c1ccsc1Br ZINC000072191884 176336294 /nfs/dbraw/zinc/33/62/94/176336294.db2.gz ZUVBAWQAYAPQIT-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN Brc1ccc2c3c(cccc31)-c1nccnc1-2 ZINC000072236466 176345811 /nfs/dbraw/zinc/34/58/11/176345811.db2.gz VCEQLEUUYGYGTM-UHFFFAOYSA-N 0 0 283.128 4.040 10 0 CIAERN FC(F)(F)C(F)(F)CSCc1ccccc1 ZINC000072265990 176352108 /nfs/dbraw/zinc/35/21/08/176352108.db2.gz WYBPAQFGOPRPOF-UHFFFAOYSA-N 0 0 256.239 4.117 10 0 CIAERN CC(C)[C@@H](C)NC(=O)c1sccc1-c1ccccc1 ZINC000072498599 176408604 /nfs/dbraw/zinc/40/86/04/176408604.db2.gz WYWZPRCEYHXDAB-GFCCVEGCSA-N 0 0 273.401 4.189 10 0 CIAERN Cc1cc2sc(-c3cc(N)cc(C)c3O)nc2c(C)c1 ZINC000073635453 176479958 /nfs/dbraw/zinc/47/99/58/176479958.db2.gz XYKZFVWTHFMZFT-UHFFFAOYSA-N 0 0 284.384 4.176 10 0 CIAERN Brc1ccc2nc(-c3cccnc3)sc2c1 ZINC000073638652 176480689 /nfs/dbraw/zinc/48/06/89/176480689.db2.gz JIGAOWPDMBKGGS-UHFFFAOYSA-N 0 0 291.173 4.121 10 0 CIAERN Cc1ccc(-c2nc(Cl)cc(-c3cccnc3)n2)cc1 ZINC000073695351 176486210 /nfs/dbraw/zinc/48/62/10/176486210.db2.gz LXBSPYOILXUTNJ-UHFFFAOYSA-N 0 0 281.746 4.167 10 0 CIAERN FC(F)(F)c1cccc2[nH]c(-c3ccccc3)nc21 ZINC000075934580 176834369 /nfs/dbraw/zinc/83/43/69/176834369.db2.gz FUTAFHNOIUMQAT-UHFFFAOYSA-N 0 0 262.234 4.249 10 0 CIAERN CCCCn1cc(C=O)c2cc(Br)ccc21 ZINC000076816638 177107382 /nfs/dbraw/zinc/10/73/82/177107382.db2.gz FWRAMQMBYTYZSP-UHFFFAOYSA-N 0 0 280.165 4.016 10 0 CIAERN CC1CCC2(CC1)CNc1ccc(Cl)cc1N2 ZINC000076861259 177124494 /nfs/dbraw/zinc/12/44/94/177124494.db2.gz RVKLVPAJOKPBGI-UHFFFAOYSA-N 0 0 250.773 4.126 10 0 CIAERN CC(C)c1ccnc2ccc(Br)cc21 ZINC000077255248 177244326 /nfs/dbraw/zinc/24/43/26/177244326.db2.gz PUGFOTZNYFYHBG-UHFFFAOYSA-N 0 0 250.139 4.121 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ncnc3c(C)csc32)o1 ZINC000191136343 226528327 /nfs/dbraw/zinc/52/83/27/226528327.db2.gz ZWMPOTJIFMFBBW-SNVBAGLBSA-N 0 0 273.361 4.074 10 0 CIAERN CC(C)n1ccnc1CSc1ccccc1Cl ZINC000171677319 335074009 /nfs/dbraw/zinc/07/40/09/335074009.db2.gz XIZKXNUAUKALNL-UHFFFAOYSA-N 0 0 266.797 4.410 10 0 CIAERN Fc1ccc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)cc1F ZINC000171777720 335079104 /nfs/dbraw/zinc/07/91/04/335079104.db2.gz YZWDJKCMMQDRSQ-QWHCGFSZSA-N 0 0 298.292 4.286 10 0 CIAERN COCc1ccccc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183137578 260043521 /nfs/dbraw/zinc/04/35/21/260043521.db2.gz SHNTUWCDTPSFFE-DZGCQCFKSA-N 0 0 289.419 4.234 10 0 CIAERN CC[C@H](C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000180724389 260109393 /nfs/dbraw/zinc/10/93/93/260109393.db2.gz FKDPIYDGZLERHQ-NWANDNLSSA-N 0 0 277.408 4.324 10 0 CIAERN Cc1cnc([C@@H](C)NCc2cc(Cl)sc2Cl)o1 ZINC000312557515 260148465 /nfs/dbraw/zinc/14/84/65/260148465.db2.gz KBTQFCNFIFBHEW-SSDOTTSWSA-N 0 0 291.203 4.202 10 0 CIAERN CCc1ccc([C@@H](C)Nc2cn(C)nc2C(C)C)cc1 ZINC000312613772 260182794 /nfs/dbraw/zinc/18/27/94/260182794.db2.gz QLSUKYQCZRRDEM-CYBMUJFWSA-N 0 0 271.408 4.279 10 0 CIAERN CC(=O)Nc1cc(NCC2CCC(C)CC2)ccc1C ZINC000089576091 260237828 /nfs/dbraw/zinc/23/78/28/260237828.db2.gz WVNLSOGTFFQVPI-UHFFFAOYSA-N 0 0 274.408 4.192 10 0 CIAERN Cc1ccc(CNc2nc3ccc(Cl)cc3s2)cn1 ZINC000093429505 260276855 /nfs/dbraw/zinc/27/68/55/260276855.db2.gz UWDAQAYXXMTJII-UHFFFAOYSA-N 0 0 289.791 4.265 10 0 CIAERN CC[C@@H](SCc1nnc(C)n1CC)c1ccc(F)cc1 ZINC000091030130 260471642 /nfs/dbraw/zinc/47/16/42/260471642.db2.gz DVTILNWLBDLUII-CQSZACIVSA-N 0 0 293.411 4.130 10 0 CIAERN CCn1nc(C)c([C@@H](C)Nc2ccc(C)c(F)c2)c1C ZINC000045167663 260649836 /nfs/dbraw/zinc/64/98/36/260649836.db2.gz XEMAXOLVVGXCHC-LLVKDONJSA-N 0 0 275.371 4.140 10 0 CIAERN Cc1ccc([C@H](C)N[C@H](C)c2cccnc2Cl)o1 ZINC000158122696 261159290 /nfs/dbraw/zinc/15/92/90/261159290.db2.gz GFCKXIFFOXTBDW-MNOVXSKESA-N 0 0 264.756 4.048 10 0 CIAERN Cc1[nH]ccc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000175014712 261205167 /nfs/dbraw/zinc/20/51/67/261205167.db2.gz PGNOOIKEUHTEAC-MRVPVSSYSA-N 0 0 297.185 4.121 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccsc2)o1 ZINC000162312068 261276403 /nfs/dbraw/zinc/27/64/03/261276403.db2.gz MJXAHELSYTXUOS-CYBMUJFWSA-N 0 0 290.388 4.409 10 0 CIAERN CCC1(C(=O)N[C@@H](C)c2cccc(Cl)c2)CCC1 ZINC000176519645 261292340 /nfs/dbraw/zinc/29/23/40/261292340.db2.gz OPIGJFMZSBQQLL-NSHDSACASA-N 0 0 265.784 4.098 10 0 CIAERN C[C@@H](CNc1ccc(Br)cn1)c1ccsc1 ZINC000301446396 261333564 /nfs/dbraw/zinc/33/35/64/261333564.db2.gz YRZVQINWBBOIKP-VIFPVBQESA-N 0 0 297.221 4.121 10 0 CIAERN C[C@@H](CNc1ccc(Br)cn1)c1cccs1 ZINC000301391534 261334890 /nfs/dbraw/zinc/33/48/90/261334890.db2.gz ZUGKPBKHDIMNSF-VIFPVBQESA-N 0 0 297.221 4.121 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1ccc(OC(F)F)cn1 ZINC000301796603 261340945 /nfs/dbraw/zinc/34/09/45/261340945.db2.gz ALEYKWMDJBPRTP-LLVKDONJSA-N 0 0 278.302 4.165 10 0 CIAERN CC(C)CC(C)(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000177581588 261363082 /nfs/dbraw/zinc/36/30/82/261363082.db2.gz KFUYKUPOFLLVJA-NWDGAFQWSA-N 0 0 293.373 4.296 10 0 CIAERN CC(C)Oc1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000165056259 261364377 /nfs/dbraw/zinc/36/43/77/261364377.db2.gz UAWGLKZKKKBLJY-NSHDSACASA-N 0 0 262.378 4.103 10 0 CIAERN CCCOc1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000165341028 261369207 /nfs/dbraw/zinc/36/92/07/261369207.db2.gz SKICFKRHMWCMAS-NSHDSACASA-N 0 0 262.378 4.105 10 0 CIAERN C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183540407 261979288 /nfs/dbraw/zinc/97/92/88/261979288.db2.gz GDWMETPYHRUYAX-ILXRZTDVSA-N 0 0 288.435 4.063 10 0 CIAERN Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000184253679 262013839 /nfs/dbraw/zinc/01/38/39/262013839.db2.gz OIQVLZTVQCSXJI-CABCVRRESA-N 0 0 254.377 4.110 10 0 CIAERN O=C(C1=CCCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000186553698 262098803 /nfs/dbraw/zinc/09/88/03/262098803.db2.gz SOFJOQRROAGMRP-CQSZACIVSA-N 0 0 290.432 4.087 10 0 CIAERN C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000390525617 262208142 /nfs/dbraw/zinc/20/81/42/262208142.db2.gz IUZDMVAVHIFBHE-IFXJQAMLSA-N 0 0 299.389 4.008 10 0 CIAERN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000222154520 262288992 /nfs/dbraw/zinc/28/89/92/262288992.db2.gz HFSNPFKNVXLADX-LOWVWBTDSA-N 0 0 269.335 4.127 10 0 CIAERN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)no1 ZINC000093076222 262365977 /nfs/dbraw/zinc/36/59/77/262365977.db2.gz DNEMJDWOYIUQNY-QMMMGPOBSA-N 0 0 298.795 4.004 10 0 CIAERN Cc1nc(Cl)cc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000052836795 264121681 /nfs/dbraw/zinc/12/16/81/264121681.db2.gz SLLVFYNSIDDIGM-QMMMGPOBSA-N 0 0 282.174 4.265 10 0 CIAERN C[C@H](Nc1ncncc1Cl)c1ccc(Cl)s1 ZINC000163597548 264358022 /nfs/dbraw/zinc/35/80/22/264358022.db2.gz RQQFHGHRTMHKEJ-LURJTMIESA-N 0 0 274.176 4.018 10 0 CIAERN FC(F)(F)[C@@H]1CCC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000129834709 264339631 /nfs/dbraw/zinc/33/96/31/264339631.db2.gz LRRINLZOQCVCRJ-BDAKNGLRSA-N 0 0 278.705 4.268 10 0 CIAERN C[C@H](Nc1ncccc1F)c1ccc(Cl)cc1 ZINC000054700805 264344173 /nfs/dbraw/zinc/34/41/73/264344173.db2.gz VGISGHWOFCADQR-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN CC[C@H](Nc1cc(OC)ccc1F)c1ccc(OC)cc1 ZINC000094854339 265263688 /nfs/dbraw/zinc/26/36/88/265263688.db2.gz JAVIEWDZRBXNFW-INIZCTEOSA-N 0 0 289.350 4.406 10 0 CIAERN COc1ccc([C@H](C)Nc2cc(OC)ccc2F)c(F)c1 ZINC000094854319 265264475 /nfs/dbraw/zinc/26/44/75/265264475.db2.gz UCQMZFANKGZIKO-JTQLQIEISA-N 0 0 293.313 4.155 10 0 CIAERN CC(C)CC1(C(=O)Nc2ccc3c(c2)CCN3)CCCC1 ZINC000094905840 265272399 /nfs/dbraw/zinc/27/23/99/265272399.db2.gz SAJYQVWWRIJKME-UHFFFAOYSA-N 0 0 286.419 4.200 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cc(C(C)C)ncn2)cc1F ZINC000094957827 265279344 /nfs/dbraw/zinc/27/93/44/265279344.db2.gz QWBHTOZZMIHAQG-GFCCVEGCSA-N 0 0 273.355 4.221 10 0 CIAERN C[C@H](CC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116049260 267120857 /nfs/dbraw/zinc/12/08/57/267120857.db2.gz ZCCBFONIOQUYIY-ZBFHGGJFSA-N 0 0 283.371 4.137 10 0 CIAERN O=C(CCCc1cccs1)N1CCC[C@H]1c1ccco1 ZINC000116048134 267121187 /nfs/dbraw/zinc/12/11/87/267121187.db2.gz NOJVEGAHDLDNMA-AWEZNQCLSA-N 0 0 289.400 4.028 10 0 CIAERN Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116043992 267121329 /nfs/dbraw/zinc/12/13/29/267121329.db2.gz MVPKZVVKNJHRAZ-DOTOQJQBSA-N 0 0 297.398 4.445 10 0 CIAERN CC[C@H](Nc1cc(Br)ccn1)c1cccs1 ZINC000302616742 327721382 /nfs/dbraw/zinc/72/13/82/327721382.db2.gz CRDCBVKPMBUHNU-JTQLQIEISA-N 0 0 297.221 4.469 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(C)c2)c(C)c1 ZINC000063060289 327914947 /nfs/dbraw/zinc/91/49/47/327914947.db2.gz LEORMXTZOFDTHY-CQSZACIVSA-N 0 0 285.362 4.242 10 0 CIAERN O=C(Nc1ccc(Cl)c(F)c1)c1cccc2[nH]ccc21 ZINC000040832761 328020105 /nfs/dbraw/zinc/02/01/05/328020105.db2.gz QEVUPNDOVSGRMN-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN C[C@H](Nc1ncccc1Br)c1cccs1 ZINC000048759258 328319926 /nfs/dbraw/zinc/31/99/26/328319926.db2.gz KJKARRHNCXGYII-QMMMGPOBSA-N 0 0 283.194 4.079 10 0 CIAERN CC(C)c1cc(N[C@@H](C)c2ccc(Cl)cc2)ncn1 ZINC000049526146 328367648 /nfs/dbraw/zinc/36/76/48/328367648.db2.gz RSDICFJUAXZFNT-NSHDSACASA-N 0 0 275.783 4.427 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1ncccc1Br ZINC000049526018 328367669 /nfs/dbraw/zinc/36/76/69/328367669.db2.gz BTHCGHNSCNGRNA-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN Cc1ccc(-c2nc([C@H]3CCC[C@H](C)C3)no2)c(O)c1 ZINC000111689042 328374958 /nfs/dbraw/zinc/37/49/58/328374958.db2.gz SFOAKBQXMACMQH-JQWIXIFHSA-N 0 0 272.348 4.044 10 0 CIAERN O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CC12CCCCC2 ZINC000194356756 328528835 /nfs/dbraw/zinc/52/88/35/328528835.db2.gz VNXGUSQOLAKIQT-OAHLLOKOSA-N 0 0 283.375 4.012 10 0 CIAERN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)c(OC)c1 ZINC000036922108 326831191 /nfs/dbraw/zinc/83/11/91/326831191.db2.gz JDBIFYLNBCVAGC-CHWSQXEVSA-N 0 0 289.375 4.017 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)C/C=C\c2cccc(F)c2)o1 ZINC000255809488 327018011 /nfs/dbraw/zinc/01/80/11/327018011.db2.gz QASCVKTZRGWUTC-AGLBCWCQSA-N 0 0 287.334 4.008 10 0 CIAERN CCCn1ccc(CNc2cc(Cl)ccc2OC)c1 ZINC000091009201 327165130 /nfs/dbraw/zinc/16/51/30/327165130.db2.gz MIDOYEKREASCRP-UHFFFAOYSA-N 0 0 278.783 4.172 10 0 CIAERN CCCn1ccc(CNc2ccccc2OC(C)C)c1 ZINC000091011810 327165252 /nfs/dbraw/zinc/16/52/52/327165252.db2.gz GJINMCRRTPGSDJ-UHFFFAOYSA-N 0 0 272.392 4.297 10 0 CIAERN CCCn1ccc(CNc2ccc(C)c3ncccc23)c1 ZINC000091011617 327165374 /nfs/dbraw/zinc/16/53/74/327165374.db2.gz VYMNGKYVFIPOTO-UHFFFAOYSA-N 0 0 279.387 4.367 10 0 CIAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccoc1 ZINC000094867437 327251329 /nfs/dbraw/zinc/25/13/29/327251329.db2.gz KGDAOIAJFUTYKI-SECBINFHSA-N 0 0 255.239 4.472 10 0 CIAERN CCC[C@H](C)CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000109719982 327263443 /nfs/dbraw/zinc/26/34/43/327263443.db2.gz UIBYFVACRFFSRU-UWVGGRQHSA-N 0 0 273.829 4.405 10 0 CIAERN COc1ccc(F)c(N[C@@H](c2ccccc2)C2CC2)c1 ZINC000094855042 328626768 /nfs/dbraw/zinc/62/67/68/328626768.db2.gz WOGQMFNQOLYLCQ-KRWDZBQOSA-N 0 0 271.335 4.398 10 0 CIAERN CCS[C@H]1CC[C@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000218049541 329066982 /nfs/dbraw/zinc/06/69/82/329066982.db2.gz DCHGSNYNHNMDRW-QWRGUYRKSA-N 0 0 297.855 4.094 10 0 CIAERN CCCCCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173064907 329140000 /nfs/dbraw/zinc/14/00/00/329140000.db2.gz FBGCMHXDCFCCNW-CQSZACIVSA-N 0 0 294.464 4.128 10 0 CIAERN CC[C@H](NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1)c1nccs1 ZINC000180229344 329218815 /nfs/dbraw/zinc/21/88/15/329218815.db2.gz NITMWARMXNRSFA-AVGNSLFASA-N 0 0 294.464 4.173 10 0 CIAERN COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000086577215 332847119 /nfs/dbraw/zinc/84/71/19/332847119.db2.gz KDERSOROQBFJIC-UHFFFAOYSA-N 0 0 296.244 4.284 10 0 CIAERN CC[C@H]([NH2+]C[C@H](C)OC)c1ccc(Cl)c(Cl)c1 ZINC000223865321 329240857 /nfs/dbraw/zinc/24/08/57/329240857.db2.gz HVWUQAMKCZKIEC-ZANVPECISA-N 0 0 276.207 4.069 10 0 CIAERN CC[C@H]([NH2+]C[C@@H](C)OC)c1ccc(Cl)cc1Cl ZINC000223980685 329241450 /nfs/dbraw/zinc/24/14/50/329241450.db2.gz YCYURHISHPNKJE-RNCFNFMXSA-N 0 0 276.207 4.069 10 0 CIAERN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)o1 ZINC000230631241 329367788 /nfs/dbraw/zinc/36/77/88/329367788.db2.gz IESFKJJLRGTONC-RKDXNWHRSA-N 0 0 270.785 4.110 10 0 CIAERN Cc1cnc([C@H](C)N[C@H](C)c2ccc(Cl)s2)o1 ZINC000230631247 329367888 /nfs/dbraw/zinc/36/78/88/329367888.db2.gz IESFKJJLRGTONC-BDAKNGLRSA-N 0 0 270.785 4.110 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116420252 329544859 /nfs/dbraw/zinc/54/48/59/329544859.db2.gz UEDAINCOVJCIDL-ZBFHGGJFSA-N 0 0 298.386 4.196 10 0 CIAERN O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@@H]1c1ccco1 ZINC000116495423 329545255 /nfs/dbraw/zinc/54/52/55/329545255.db2.gz NQHIVZADHRNBDY-OAHLLOKOSA-N 0 0 295.342 4.130 10 0 CIAERN Cc1cc2cc(NC(=O)N[C@H](C)c3ccc(C)o3)ccc2[nH]1 ZINC000127446465 329599750 /nfs/dbraw/zinc/59/97/50/329599750.db2.gz VSAMMEGVJOLTAU-GFCCVEGCSA-N 0 0 297.358 4.260 10 0 CIAERN CC1(C)CCCC[C@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000194137724 329685405 /nfs/dbraw/zinc/68/54/05/329685405.db2.gz KIVRAPVBWIQBPA-UONOGXRCSA-N 0 0 275.392 4.160 10 0 CIAERN Cc1cc(N[C@@H](C)c2cncs2)ccc1Br ZINC000162830500 329794191 /nfs/dbraw/zinc/79/41/91/329794191.db2.gz NRGBNTHGWYAGJX-VIFPVBQESA-N 0 0 297.221 4.387 10 0 CIAERN CCc1cnc([C@H](C)Nc2ncc(Cl)cc2F)s1 ZINC000079302481 330021885 /nfs/dbraw/zinc/02/18/85/330021885.db2.gz WUXVCUQSMLUPCA-ZETCQYMHSA-N 0 0 285.775 4.066 10 0 CIAERN C[C@H]1C[C@H](CC[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)C[C@@H](C)C1 ZINC000263176727 330047402 /nfs/dbraw/zinc/04/74/02/330047402.db2.gz STTWYUUHQIMDGX-TWMKSMIVSA-N 0 0 295.467 4.026 10 0 CIAERN C[C@H]1CC[C@@H](NC(=O)Cc2cccs2)c2ccccc21 ZINC000162735132 330110818 /nfs/dbraw/zinc/11/08/18/330110818.db2.gz NKGHRUOIAJPZJF-BLLLJJGKSA-N 0 0 285.412 4.045 10 0 CIAERN C[C@H](NCc1ccccn1)c1c(Cl)ccc(F)c1Cl ZINC000035790453 330251187 /nfs/dbraw/zinc/25/11/87/330251187.db2.gz RBXYYFYTDJBMCP-VIFPVBQESA-N 0 0 299.176 4.378 10 0 CIAERN COCc1ccccc1NC1CC(c2ccccc2F)C1 ZINC000036939081 330317590 /nfs/dbraw/zinc/31/75/90/330317590.db2.gz KBHBNGBEJUYUSP-UHFFFAOYSA-N 0 0 285.362 4.330 10 0 CIAERN CCc1ccc(N[C@H](C)c2c(C)nn(CC)c2C)cc1 ZINC000045167657 330340605 /nfs/dbraw/zinc/34/06/05/330340605.db2.gz TXNISLDANBXKMZ-GFCCVEGCSA-N 0 0 271.408 4.255 10 0 CIAERN CCn1nc(C)c([C@H](C)Nc2cccc(Cl)c2)c1C ZINC000045167467 330340644 /nfs/dbraw/zinc/34/06/44/330340644.db2.gz NUFAMJSENPMPNR-JTQLQIEISA-N 0 0 277.799 4.346 10 0 CIAERN CCn1nc(C)c([C@H](C)Nc2ccc(F)c(Cl)c2)c1C ZINC000045169030 330340654 /nfs/dbraw/zinc/34/06/54/330340654.db2.gz GHTGDXRWZMPTRM-VIFPVBQESA-N 0 0 295.789 4.485 10 0 CIAERN CCc1ccsc1CNc1nc2ccccc2o1 ZINC000088290718 330375654 /nfs/dbraw/zinc/37/56/54/330375654.db2.gz RUHLNUOVQOSAOS-UHFFFAOYSA-N 0 0 258.346 4.064 10 0 CIAERN CC1(C)C(c2csc(N3CCCCC3)n2)C1(C)C ZINC000536953534 330382765 /nfs/dbraw/zinc/38/27/65/330382765.db2.gz IHWIPEVYUXHVFZ-UHFFFAOYSA-N 0 0 264.438 4.283 10 0 CIAERN Cc1[nH]nc(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000536960391 330384041 /nfs/dbraw/zinc/38/40/41/330384041.db2.gz PWFVLNFIRPFMBB-UHFFFAOYSA-N 0 0 260.646 4.057 10 0 CIAERN O=Cc1cccc(-c2c(F)cccc2Br)c1 ZINC000536960257 330384154 /nfs/dbraw/zinc/38/41/54/330384154.db2.gz YGBZVGKUHWTKKZ-UHFFFAOYSA-N 0 0 279.108 4.068 10 0 CIAERN Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000121107826 330396196 /nfs/dbraw/zinc/39/61/96/330396196.db2.gz IEGZPIXZCQSOPJ-CYBMUJFWSA-N 0 0 293.370 4.359 10 0 CIAERN CCCn1ccc(CNc2ccc(SC)cc2)c1 ZINC000091009087 330397754 /nfs/dbraw/zinc/39/77/54/330397754.db2.gz RDQGVUMKBHNRDP-UHFFFAOYSA-N 0 0 260.406 4.232 10 0 CIAERN O=C(CC1CCCCCC1)Nc1ccc2c(c1)CCCN2 ZINC000156707948 330744560 /nfs/dbraw/zinc/74/45/60/330744560.db2.gz XKJJFPGHEFLVBO-UHFFFAOYSA-N 0 0 286.419 4.344 10 0 CIAERN CC(C)COc1cccc(N[C@H](C)c2cncs2)c1 ZINC000165091516 331305771 /nfs/dbraw/zinc/30/57/71/331305771.db2.gz MGMZOMGTYCKFFP-GFCCVEGCSA-N 0 0 276.405 4.351 10 0 CIAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000172166483 335096214 /nfs/dbraw/zinc/09/62/14/335096214.db2.gz SDDJAKLGGOBBAH-CHWSQXEVSA-N 0 0 293.373 4.394 10 0 CIAERN CC(C)[C@H](C)S[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000172968041 332955610 /nfs/dbraw/zinc/95/56/10/332955610.db2.gz YSGVUFKZCSHZNV-IHRRRGAJSA-N 0 0 279.449 4.030 10 0 CIAERN CCC(CC)NC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173293814 332968449 /nfs/dbraw/zinc/96/84/49/332968449.db2.gz HRIAXFPLEXMRAA-CQSZACIVSA-N 0 0 278.396 4.013 10 0 CIAERN O=C(C/C=C/c1cccc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000176730326 333046376 /nfs/dbraw/zinc/04/63/76/333046376.db2.gz DLEWLQMEJQQSTN-BAXHPOPBSA-N 0 0 299.345 4.186 10 0 CIAERN Cc1ccnc(N[C@H](C)c2cccs2)c1Cl ZINC000309767691 333048989 /nfs/dbraw/zinc/04/89/89/333048989.db2.gz JVIRQJBWYFTBAB-SECBINFHSA-N 0 0 252.770 4.278 10 0 CIAERN CC[C@@H](Nc1ncc(C(F)(F)F)s1)C(C)C ZINC000310004406 333052709 /nfs/dbraw/zinc/05/27/09/333052709.db2.gz FZXGVVCYIHCYJV-SSDOTTSWSA-N 0 0 252.305 4.008 10 0 CIAERN C[C@H](Nc1nccc(C(C)(C)C)n1)c1cccs1 ZINC000310843199 333061757 /nfs/dbraw/zinc/06/17/57/333061757.db2.gz ODBKLFYBBUVXPY-JTQLQIEISA-N 0 0 261.394 4.009 10 0 CIAERN C[C@H](NC(=O)c1cccc(Cl)c1F)c1cccs1 ZINC000177932932 333065755 /nfs/dbraw/zinc/06/57/55/333065755.db2.gz SEBPCRMQFKVJKK-QMMMGPOBSA-N 0 0 283.755 4.032 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cn(C)nc2C(C)C)cc1 ZINC000311911804 333074510 /nfs/dbraw/zinc/07/45/10/333074510.db2.gz FDBYCFJKSNYDSD-CYBMUJFWSA-N 0 0 257.381 4.025 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cccc3cc[nH]c32)cc1F ZINC000088353060 333088190 /nfs/dbraw/zinc/08/81/90/333088190.db2.gz WDLGIZQDBQRVBX-LBPRGKRZSA-N 0 0 296.345 4.106 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@]2(C)C(C)C)o1 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CC[C@H](C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000245423744 334191990 /nfs/dbraw/zinc/19/19/90/334191990.db2.gz BQGHZPGKZMMBGW-YUTCNCBUSA-N 0 0 292.423 4.258 10 0 CIAERN C[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(Cl)s1 ZINC000245493855 334197186 /nfs/dbraw/zinc/19/71/86/334197186.db2.gz MIQYAQXAFCLEMS-DNJQJEMRSA-N 0 0 283.824 4.015 10 0 CIAERN CCC[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000245716388 334214602 /nfs/dbraw/zinc/21/46/02/334214602.db2.gz UYMGICFRDIGNSA-AGIUHOORSA-N 0 0 293.373 4.296 10 0 CIAERN CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000245716394 334214783 /nfs/dbraw/zinc/21/47/83/334214783.db2.gz UYMGICFRDIGNSA-UPJWGTAASA-N 0 0 293.373 4.296 10 0 CIAERN C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)c1cccs1 ZINC000246312092 334250295 /nfs/dbraw/zinc/25/02/95/334250295.db2.gz DVXOJXOUWWZXDX-XJFOESAGSA-N 0 0 292.448 4.172 10 0 CIAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc2ccccc2c1 ZINC000246621871 334265632 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/nfs/dbraw/zinc/83/75/70/533837570.db2.gz LHWRXSCJAPNERF-UHFFFAOYSA-N 0 0 279.796 4.045 10 0 CIAERN CC(=O)c1c(F)cccc1N(C)[C@H]1CCCC[C@@H]1C ZINC000055387501 518239571 /nfs/dbraw/zinc/23/95/71/518239571.db2.gz ALQBOIIBZGDVOQ-FZMZJTMJSA-N 0 0 263.356 4.043 10 0 CIAERN CC(=O)c1ccc(N(C)C2CCCCC2)c(Cl)c1 ZINC000061693590 518341833 /nfs/dbraw/zinc/34/18/33/518341833.db2.gz NHVXAWKNRPALMU-UHFFFAOYSA-N 0 0 265.784 4.312 10 0 CIAERN CC(C)(C)Nc1cc(-c2ccccc2Br)[nH]n1 ZINC000062669131 518772358 /nfs/dbraw/zinc/77/23/58/518772358.db2.gz PHDZCBZDENBFLW-UHFFFAOYSA-N 0 0 294.196 4.050 10 0 CIAERN CC(C)(C)c1nc2cc(N)ccc2n1-c1cccc(F)c1 ZINC000052842767 519105521 /nfs/dbraw/zinc/10/55/21/519105521.db2.gz UGZMUVRPXNSQDX-UHFFFAOYSA-N 0 0 283.350 4.044 10 0 CIAERN CC(C)(C)c1nc2cc(N)ccc2n1C1CCCC1 ZINC000052842092 519105656 /nfs/dbraw/zinc/10/56/56/519105656.db2.gz HGGRGIROYNJREI-UHFFFAOYSA-N 0 0 257.381 4.031 10 0 CIAERN CC(C)CCOCc1ccc(F)c(Br)c1 ZINC000049600963 519669388 /nfs/dbraw/zinc/66/93/88/519669388.db2.gz OJFOYTKSHVZSGB-UHFFFAOYSA-N 0 0 275.161 4.151 10 0 CIAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000112211537 519792119 /nfs/dbraw/zinc/79/21/19/519792119.db2.gz GQWVVHDLDYENAB-CYBMUJFWSA-N 0 0 299.374 4.040 10 0 CIAERN CC(C)[C@@H](Nc1ccc(F)cn1)c1cccs1 ZINC000049558330 519799761 /nfs/dbraw/zinc/79/97/61/519799761.db2.gz LMMOORMKHSUJDD-CYBMUJFWSA-N 0 0 250.342 4.091 10 0 CIAERN CC(C)[C@H](Nc1cc(N)cc(F)c1)c1cccs1 ZINC000049555137 519821794 /nfs/dbraw/zinc/82/17/94/519821794.db2.gz WDSNCERTQZHQDG-AWEZNQCLSA-N 0 0 264.369 4.279 10 0 CIAERN CCCC1CCC(Nc2ccc(F)cc2N)CC1 ZINC000049542494 519899248 /nfs/dbraw/zinc/89/92/48/519899248.db2.gz RPHNSBQKOOEEGC-UHFFFAOYSA-N 0 0 250.361 4.179 10 0 CIAERN CC(C)n1ccnc1CSc1ccc(F)c(F)c1 ZINC000107078539 520032835 /nfs/dbraw/zinc/03/28/35/520032835.db2.gz CMVNCYMSRCTFQX-UHFFFAOYSA-N 0 0 268.332 4.035 10 0 CIAERN CCCCCC[C@@H](C)n1c(CCC)n[nH]c1=S ZINC000049219523 520119866 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/nfs/dbraw/zinc/03/94/64/521039464.db2.gz KDVQFEGNWPSAOM-SNVBAGLBSA-N 0 0 263.410 4.404 10 0 CIAERN CCCCc1nc(Cl)c(CN[C@@H](C)c2ccc(C)o2)[nH]1 ZINC000088398897 521300344 /nfs/dbraw/zinc/30/03/44/521300344.db2.gz WYLXEZQMJWFSKO-NSHDSACASA-N 0 0 295.814 4.158 10 0 CIAERN CCCc1cc(Cl)nc(-c2cc(F)ccc2C)n1 ZINC000052138383 521364598 /nfs/dbraw/zinc/36/45/98/521364598.db2.gz COJBINHWWJJLCZ-UHFFFAOYSA-N 0 0 264.731 4.197 10 0 CIAERN CCOc1ccccc1C(=O)c1ccc(Cl)cc1F ZINC000062785230 521462792 /nfs/dbraw/zinc/46/27/92/521462792.db2.gz CAKJVXFHWIOTNA-UHFFFAOYSA-N 0 0 278.710 4.109 10 0 CIAERN CCC(CC)(c1ncc(C=O)s1)c1ccccc1 ZINC000062783992 521479939 /nfs/dbraw/zinc/47/99/39/521479939.db2.gz TXPAJTKKXXSFQS-UHFFFAOYSA-N 0 0 259.374 4.062 10 0 CIAERN CCCC1N=NC(=S)N1[C@H](CC)C1CCCCC1 ZINC000052341468 521569640 /nfs/dbraw/zinc/56/96/40/521569640.db2.gz YKIZFXJIZKLFGO-GFCCVEGCSA-N 0 0 267.442 4.051 10 0 CIAERN CCCN(c1ccc(C(C)=O)cc1Br)C(C)C ZINC000061693655 521697161 /nfs/dbraw/zinc/69/71/61/521697161.db2.gz 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285.572 4.001 10 0 CIAERN CNc1nc(C2CCCC2)nc2sc(C)c(C)c21 ZINC000050841972 522679387 /nfs/dbraw/zinc/67/93/87/522679387.db2.gz AHYCLJSWVAWUFG-UHFFFAOYSA-N 0 0 261.394 4.007 10 0 CIAERN CC[C@H](Nc1ccc2ncccc2c1)c1ccco1 ZINC000054108124 522771156 /nfs/dbraw/zinc/77/11/56/522771156.db2.gz NZSFKOUFOLMVRQ-AWEZNQCLSA-N 0 0 252.317 4.391 10 0 CIAERN CC[C@H](Nc1cccc(F)c1N)C1CCCCC1 ZINC000052335055 522774278 /nfs/dbraw/zinc/77/42/78/522774278.db2.gz KIYYFEKIYOXXPW-ZDUSSCGKSA-N 0 0 250.361 4.179 10 0 CIAERN CC[C@@H](Nc1ccc(Br)cn1)c1cccs1 ZINC000042322741 522955045 /nfs/dbraw/zinc/95/50/45/522955045.db2.gz AWLAJDLAJBQVHR-SNVBAGLBSA-N 0 0 297.221 4.469 10 0 CIAERN CC[C@H]1CCCCN1c1nnc(Cl)c2ccccc21 ZINC000050529248 523031239 /nfs/dbraw/zinc/03/12/39/523031239.db2.gz INXUZNBGAGAUBD-NSHDSACASA-N 0 0 275.783 4.052 10 0 CIAERN COCc1ccccc1NC1CCC(C(F)(F)F)CC1 ZINC000068634489 523122582 /nfs/dbraw/zinc/12/25/82/523122582.db2.gz YNRUGADKTHADAT-UHFFFAOYSA-N 0 0 287.325 4.366 10 0 CIAERN CO[C@@H]1CCC[C@H]1n1c(=S)[nH]c2cc(Cl)ccc21 ZINC000050375536 523664667 /nfs/dbraw/zinc/66/46/67/523664667.db2.gz REMKKMHUQSNAEN-VXGBXAGGSA-N 0 0 282.796 4.092 10 0 CIAERN COc1ccc(C)c2c(Cl)cc(C(F)F)nc12 ZINC000061629958 523797591 /nfs/dbraw/zinc/79/75/91/523797591.db2.gz BTJXQJIZLPSARV-UHFFFAOYSA-N 0 0 257.667 4.143 10 0 CIAERN COc1ccc(C)cc1NCc1ccc(F)c(C)c1 ZINC000050544604 523844500 /nfs/dbraw/zinc/84/45/00/523844500.db2.gz VOMVHMGMWUJUJJ-UHFFFAOYSA-N 0 0 259.324 4.063 10 0 CIAERN CCc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000051726165 523898630 /nfs/dbraw/zinc/89/86/30/523898630.db2.gz MLYLIHWQNISFQB-UHFFFAOYSA-N 0 0 269.127 4.380 10 0 CIAERN CCc1ccc([C@@H](C)N[C@@H](C)c2csc(C)n2)cc1 ZINC000036958556 524026292 /nfs/dbraw/zinc/02/62/92/524026292.db2.gz VCQCUCIKUAWKCC-NEPJUHHUSA-N 0 0 274.433 4.426 10 0 CIAERN CCc1ccc([C@H](C)N[C@@H](C)c2csc(C)n2)cc1 ZINC000036958557 524047202 /nfs/dbraw/zinc/04/72/02/524047202.db2.gz VCQCUCIKUAWKCC-RYUDHWBXSA-N 0 0 274.433 4.426 10 0 CIAERN Cc1ccc2sc(-c3cccc(N)c3C)nc2c1 ZINC000061857245 524099631 /nfs/dbraw/zinc/09/96/31/524099631.db2.gz XEYKRBVZSNEUAB-UHFFFAOYSA-N 0 0 254.358 4.162 10 0 CIAERN Cc1ccc2sc(NCCc3ccsc3)nc2c1 ZINC000049185132 524100482 /nfs/dbraw/zinc/10/04/82/524100482.db2.gz CRCRXDDRDOYKGC-UHFFFAOYSA-N 0 0 274.414 4.321 10 0 CIAERN COc1ccc(Cl)cc1[C@](C)(O)c1cccc(Cl)c1 ZINC000055191063 524256921 /nfs/dbraw/zinc/25/69/21/524256921.db2.gz QXFXEYVVMMDZKI-OAHLLOKOSA-N 0 0 297.181 4.258 10 0 CIAERN Cc1ccc(CC[C@@H](O)Cc2ccc(Cl)cc2)cc1 ZINC000062140533 524347751 /nfs/dbraw/zinc/34/77/51/524347751.db2.gz PAEHABAOUQFMFL-QGZVFWFLSA-N 0 0 274.791 4.185 10 0 CIAERN Cc1ccc(CC[C@H](O)Cc2ccc(Cl)cc2)cc1 ZINC000062140530 524350595 /nfs/dbraw/zinc/35/05/95/524350595.db2.gz PAEHABAOUQFMFL-KRWDZBQOSA-N 0 0 274.791 4.185 10 0 CIAERN COc1ccc(N)cc1CSCc1ccccc1C ZINC000054963778 524375828 /nfs/dbraw/zinc/37/58/28/524375828.db2.gz ZRMAKONQRQLRGC-UHFFFAOYSA-N 0 0 273.401 4.019 10 0 CIAERN Cc1cc(C)cc(C[C@@H](O)c2ccc(F)c(Cl)c2)c1 ZINC000062791831 524396381 /nfs/dbraw/zinc/39/63/81/524396381.db2.gz WVDGEHLSOPBKLH-MRXNPFEDSA-N 0 0 278.754 4.372 10 0 CIAERN C[C@@H]1CCC[C@H](SCc2nc3sccc3c(N)n2)C1 ZINC000054696077 524413018 /nfs/dbraw/zinc/41/30/18/524413018.db2.gz MPBNQQLWOXNYJQ-ZJUUUORDSA-N 0 0 293.461 4.085 10 0 CIAERN Cc1cc(C=O)c(C)n1[C@@H](C)c1ccccc1Cl ZINC000049508850 524608960 /nfs/dbraw/zinc/60/89/60/524608960.db2.gz ATUAUIHYNBJEEM-LBPRGKRZSA-N 0 0 261.752 4.180 10 0 CIAERN Cc1ccc(C[C@@H](O)c2ccc(Cl)cc2F)cc1C ZINC000062137616 524666890 /nfs/dbraw/zinc/66/68/90/524666890.db2.gz ZGAJVSYCDJMUOY-MRXNPFEDSA-N 0 0 278.754 4.372 10 0 CIAERN COc1ccc(NCc2cccc(C)c2C)c(C)c1 ZINC000061566813 524679222 /nfs/dbraw/zinc/67/92/22/524679222.db2.gz MJYWOLPJLXOEQH-UHFFFAOYSA-N 0 0 255.361 4.233 10 0 CIAERN Cc1ccc(C[C@H](O)c2ccc(F)c(Cl)c2)cc1 ZINC000062791870 524685126 /nfs/dbraw/zinc/68/51/26/524685126.db2.gz RKRJNJAAOBDYRV-HNNXBMFYSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1cccc(N[C@H](C)c2ccc(Cl)s2)n1 ZINC000042590661 524697496 /nfs/dbraw/zinc/69/74/96/524697496.db2.gz FCACRQGBLWKIDC-SECBINFHSA-N 0 0 252.770 4.278 10 0 CIAERN Cc1ccc(F)c([C@H](O)c2csc3ccccc32)c1 ZINC000052998969 524835935 /nfs/dbraw/zinc/83/59/35/524835935.db2.gz WRFQSWHLTHMJPJ-INIZCTEOSA-N 0 0 272.344 4.431 10 0 CIAERN Cc1ccc(F)c([C@@](C)(O)c2ccccc2Cl)c1 ZINC000055191251 524836351 /nfs/dbraw/zinc/83/63/51/524836351.db2.gz CYCRNOPKKLMBIN-HNNXBMFYSA-N 0 0 264.727 4.043 10 0 CIAERN Cc1ccc(F)cc1C(=O)C(C)(C)c1ccccc1 ZINC000062772852 524840516 /nfs/dbraw/zinc/84/05/16/524840516.db2.gz MFDAKMXGTLTJMK-UHFFFAOYSA-N 0 0 256.320 4.295 10 0 CIAERN Cc1cccc([C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055202001 524841217 /nfs/dbraw/zinc/84/12/17/524841217.db2.gz MOSJNPCHJJEUIY-AWEZNQCLSA-N 0 0 266.262 4.096 10 0 CIAERN Cc1ccc(F)cc1[C@H](O)c1ccc(F)c(Cl)c1 ZINC000062791814 524874577 /nfs/dbraw/zinc/87/45/77/524874577.db2.gz GHTQGGYXIXGBFR-CQSZACIVSA-N 0 0 268.690 4.008 10 0 CIAERN Cc1ccccc1C(=O)C1(c2ccccc2)CCC1 ZINC000062780597 525041862 /nfs/dbraw/zinc/04/18/62/525041862.db2.gz PLHZSBBJSUXDIQ-UHFFFAOYSA-N 0 0 250.341 4.300 10 0 CIAERN COc1ccc([C@@H](O)c2ccc(Cl)s2)cc1Cl ZINC000051172825 525211544 /nfs/dbraw/zinc/21/15/44/525211544.db2.gz GVTYZWARSDWACB-GFCCVEGCSA-N 0 0 289.183 4.145 10 0 CIAERN Cc1ccc(N[C@@H](C)c2cccc(Cl)c2)c(N)c1 ZINC000049515129 525309528 /nfs/dbraw/zinc/30/95/28/525309528.db2.gz OSHMIZRFEKBBKL-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(Nc2c(N)ccc(F)c2F)c(Cl)c1 ZINC000053164495 525322117 /nfs/dbraw/zinc/32/21/17/525322117.db2.gz GVDJROHDFQREDG-UHFFFAOYSA-N 0 0 268.694 4.252 10 0 CIAERN Cc1ccccc1S[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000059930200 525341242 /nfs/dbraw/zinc/34/12/42/525341242.db2.gz RYQYFCUWSBRMOE-HUUCEWRRSA-N 0 0 299.439 4.353 10 0 CIAERN Cc1cc(Oc2ccc(Br)cc2)ccc1C=O ZINC000050575558 525385137 /nfs/dbraw/zinc/38/51/37/525385137.db2.gz UHQWXEJFNXLAAB-UHFFFAOYSA-N 0 0 291.144 4.362 10 0 CIAERN Cc1cc(Oc2ccccc2C(F)(F)F)nc(Cl)n1 ZINC000052813928 525386104 /nfs/dbraw/zinc/38/61/04/525386104.db2.gz OHXOBCVFIFTNPG-UHFFFAOYSA-N 0 0 288.656 4.250 10 0 CIAERN CSCCCCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127757703 525394960 /nfs/dbraw/zinc/39/49/60/525394960.db2.gz BZHUTPOIFAMSEN-AWEZNQCLSA-N 0 0 295.448 4.175 10 0 CIAERN Cc1ccc(Oc2ncccc2C)c(Br)c1 ZINC000051040801 525478411 /nfs/dbraw/zinc/47/84/11/525478411.db2.gz IFKUBZQEXNNURX-UHFFFAOYSA-N 0 0 278.149 4.253 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cccnc1Cl ZINC000133237603 525606759 /nfs/dbraw/zinc/60/67/59/525606759.db2.gz SPRRARPDEODFTM-VHSXEESVSA-N 0 0 296.748 4.425 10 0 CIAERN C[C@H](Nc1cccc(-n2cccn2)c1)c1ccsc1 ZINC000050342950 525665869 /nfs/dbraw/zinc/66/58/69/525665869.db2.gz KBBSFXHVKBDLRQ-LBPRGKRZSA-N 0 0 269.373 4.107 10 0 CIAERN C[C@@H](Nc1ccc(N)cc1F)c1cccc(Cl)c1 ZINC000049515082 525706170 /nfs/dbraw/zinc/70/61/70/525706170.db2.gz SECVTARQHRPRHF-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1cccc(N)c1)c1cccc(Br)c1 ZINC000049564062 525717531 /nfs/dbraw/zinc/71/75/31/525717531.db2.gz HAGXIPFALHHBIO-SNVBAGLBSA-N 0 0 291.192 4.204 10 0 CIAERN COc1cccc(-c2nc(C)c(C(C)C)c(Cl)n2)c1 ZINC000061689126 525723218 /nfs/dbraw/zinc/72/32/18/525723218.db2.gz HYEMISDHLWMBEK-UHFFFAOYSA-N 0 0 276.767 4.237 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ccc(C(N)=S)c(Cl)c2)o1 ZINC000061849669 525753044 /nfs/dbraw/zinc/75/30/44/525753044.db2.gz QPXDLXWLHPVRIY-SECBINFHSA-N 0 0 294.807 4.049 10 0 CIAERN Cc1ccc([C@@H](N)c2oc3cc(F)ccc3c2C)s1 ZINC000062749468 525768835 /nfs/dbraw/zinc/76/88/35/525768835.db2.gz QBVFHPXJXNCABE-CQSZACIVSA-N 0 0 275.348 4.298 10 0 CIAERN Cc1ccc([C@@H](O)Cc2cccc(Br)c2)s1 ZINC000050042080 525782808 /nfs/dbraw/zinc/78/28/08/525782808.db2.gz OQGVNLMUVVUYIJ-LBPRGKRZSA-N 0 0 297.217 4.095 10 0 CIAERN Cc1c(N)cccc1N[C@@H](C)c1cccc(Cl)c1 ZINC000062724997 525822176 /nfs/dbraw/zinc/82/21/76/525822176.db2.gz LXMVSOLVCUFHMM-NSHDSACASA-N 0 0 260.768 4.404 10 0 CIAERN C[C@H](O)c1ccc(Oc2cccc(F)c2F)c(Cl)c1 ZINC000062615865 525859125 /nfs/dbraw/zinc/85/91/25/525859125.db2.gz BVIZUOHEIJVVDV-QMMMGPOBSA-N 0 0 284.689 4.464 10 0 CIAERN C[C@@H](O)c1ccccc1NCc1cccc(Cl)c1 ZINC000049542472 525874141 /nfs/dbraw/zinc/87/41/41/525874141.db2.gz GIJUBUBZRUQLKW-LLVKDONJSA-N 0 0 261.752 4.005 10 0 CIAERN C[C@H](OCCNc1cccc(F)c1)c1ccccc1 ZINC000053554387 525902808 /nfs/dbraw/zinc/90/28/08/525902808.db2.gz GWHNAHLKVTWZTQ-ZDUSSCGKSA-N 0 0 259.324 4.015 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)CSC(C)(C)C)o1 ZINC000127886706 525992070 /nfs/dbraw/zinc/99/20/70/525992070.db2.gz KBFOSCCBEFJJGV-CYBMUJFWSA-N 0 0 295.448 4.173 10 0 CIAERN Cc1ccc(C(=O)C2(c3ccccc3)CC2)cc1C ZINC000061617675 526018663 /nfs/dbraw/zinc/01/86/63/526018663.db2.gz MXRZBBUHLDTUBA-UHFFFAOYSA-N 0 0 250.341 4.218 10 0 CIAERN Cc1ccc([C@H]2CNc3cc(C)cc(C)c3O2)cc1 ZINC000062536732 526026533 /nfs/dbraw/zinc/02/65/33/526026533.db2.gz VPSUFTJJQIPGMQ-MRXNPFEDSA-N 0 0 253.345 4.157 10 0 CIAERN COc1cccc(Oc2ccc([C@@H](C)O)cc2Cl)c1 ZINC000061697516 526242296 /nfs/dbraw/zinc/24/22/96/526242296.db2.gz CYTDIHZCDJMVKP-SNVBAGLBSA-N 0 0 278.735 4.194 10 0 CIAERN Cc1coc2ccc(NC(=O)N[C@@H](C)CC3CC3)cc12 ZINC000188021548 526294887 /nfs/dbraw/zinc/29/48/87/526294887.db2.gz FOUFHPMLZKXIDA-NSHDSACASA-N 0 0 272.348 4.051 10 0 CIAERN Fc1ccc(C(F)(F)F)cc1Nc1ccnc(Cl)n1 ZINC000062667339 526326523 /nfs/dbraw/zinc/32/65/23/526326523.db2.gz ACRXKYGYZVFPCP-UHFFFAOYSA-N 0 0 291.635 4.032 10 0 CIAERN Fc1ccc2c(c1)[nH]c(=S)n2CCc1ccsc1 ZINC000049184840 526374765 /nfs/dbraw/zinc/37/47/65/526374765.db2.gz MZGNZEWNUBWUSH-UHFFFAOYSA-N 0 0 278.377 4.142 10 0 CIAERN Cc1nc(C(C)(C)c2ccccc2)nc(Cl)c1C ZINC000062772806 526664590 /nfs/dbraw/zinc/66/45/90/526664590.db2.gz NCIBARBKEBSOIK-UHFFFAOYSA-N 0 0 260.768 4.073 10 0 CIAERN Cc1sc(NCC(C)C)nc1-c1ccc(C)cc1 ZINC000070135845 526884828 /nfs/dbraw/zinc/88/48/28/526884828.db2.gz HRNOGWGOQVFRFG-UHFFFAOYSA-N 0 0 260.406 4.495 10 0 CIAERN Cc1nc(CNc2cc(C(F)(F)F)ccc2F)cs1 ZINC000062655573 526895913 /nfs/dbraw/zinc/89/59/13/526895913.db2.gz UMEYLRHLWZWASA-UHFFFAOYSA-N 0 0 290.285 4.222 10 0 CIAERN Clc1cccc(NCCc2cccnc2)c1Cl ZINC000063222251 526980636 /nfs/dbraw/zinc/98/06/36/526980636.db2.gz KMRKCDMYVUEBJI-UHFFFAOYSA-N 0 0 267.159 4.043 10 0 CIAERN Clc1cncc(Nc2ccc3ccccc3c2)n1 ZINC000044882535 526998944 /nfs/dbraw/zinc/99/89/44/526998944.db2.gz DICZUWNOYDESJN-UHFFFAOYSA-N 0 0 255.708 4.027 10 0 CIAERN Clc1nnc(Sc2ccccc2)c2ccccc12 ZINC000050530665 527011674 /nfs/dbraw/zinc/01/16/74/527011674.db2.gz CCKREBDSDBETOX-UHFFFAOYSA-N 0 0 272.760 4.434 10 0 CIAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953238 527033186 /nfs/dbraw/zinc/03/31/86/527033186.db2.gz XIEVACMNDQDUAB-DTWKUNHWSA-N 0 0 282.359 4.142 10 0 CIAERN Cc1nc2c(o1)c(Cl)c(Br)cc2Cl ZINC000062557562 527101931 /nfs/dbraw/zinc/10/19/31/527101931.db2.gz VSIATMZLTWGMDY-UHFFFAOYSA-N 0 0 280.936 4.206 10 0 CIAERN O=C(Cc1cccs1)Cc1ccc(C(F)(F)F)cc1 ZINC000053780633 527300068 /nfs/dbraw/zinc/30/00/68/527300068.db2.gz TZKVBFZOJLZMNE-UHFFFAOYSA-N 0 0 284.302 4.121 10 0 CIAERN Cn1cccc1CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049136917 527400938 /nfs/dbraw/zinc/40/09/38/527400938.db2.gz BMROFPTZYFCFGM-UHFFFAOYSA-N 0 0 288.700 4.309 10 0 CIAERN Nc1cc(C(F)(F)F)ccc1NCCc1ccsc1 ZINC000049152603 527448127 /nfs/dbraw/zinc/44/81/27/527448127.db2.gz CPLHKYKFPRONHU-UHFFFAOYSA-N 0 0 286.322 4.004 10 0 CIAERN Nc1ccccc1CCOc1ccc(Cl)cc1Cl ZINC000052918916 527527626 /nfs/dbraw/zinc/52/76/26/527527626.db2.gz AJXLJDMHEQBSJR-UHFFFAOYSA-N 0 0 282.170 4.197 10 0 CIAERN FC(F)(F)c1ccc(Cl)c(NCC2CCOCC2)c1 ZINC000052171699 527682814 /nfs/dbraw/zinc/68/28/14/527682814.db2.gz UEMUWLSGINYNFG-UHFFFAOYSA-N 0 0 293.716 4.197 10 0 CIAERN CCSCc1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000113738613 529197655 /nfs/dbraw/zinc/19/76/55/529197655.db2.gz GOCHYZSDCLEFIG-UHFFFAOYSA-N 0 0 297.383 4.052 10 0 CIAERN C[C@@H](O)c1ccc(SC2CCCCC2)c(F)c1 ZINC000058823284 567217155 /nfs/dbraw/zinc/21/71/55/567217155.db2.gz NJIYFYWHUUUKJN-SNVBAGLBSA-N 0 0 254.370 4.304 10 0 CIAERN C[C@H]1C[C@H](C)CC(O)(c2ccc(Br)cc2)C1 ZINC000675059336 570365333 /nfs/dbraw/zinc/36/53/33/570365333.db2.gz OJHBKJNGALVWPH-QWRGUYRKSA-N 0 0 283.209 4.093 10 0 CIAERN CC[C@@H]1c2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1 ZINC000004655381 560199610 /nfs/dbraw/zinc/19/96/10/560199610.db2.gz UVOBXMBJOYYZST-PZDGAKPMSA-N 0 0 268.356 4.492 10 0 in-vitro CIAERN COc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc21 ZINC000014504006 560221999 /nfs/dbraw/zinc/22/19/99/560221999.db2.gz OVAZJVLXWGEKHQ-UHFFFAOYSA-N 0 0 292.290 4.215 10 0 biogenic,in-vitro CIAERN Cc1cc(C(F)(F)F)nc2ccc(Br)cc12 ZINC000667393964 566933371 /nfs/dbraw/zinc/93/33/71/566933371.db2.gz ORVALCCFEMSWIU-UHFFFAOYSA-N 0 0 290.082 4.325 10 0 CIAERN Cc1cc(C(C)C)nc2cc(Br)ccc12 ZINC000667395533 566933989 /nfs/dbraw/zinc/93/39/89/566933989.db2.gz RPZBXJYOXMVXDX-UHFFFAOYSA-N 0 0 264.166 4.429 10 0 CIAERN CCCC(=O)c1cc2ccc(Br)cc2o1 ZINC000675081607 567028642 /nfs/dbraw/zinc/02/86/42/567028642.db2.gz VFHHFKAWVLPFCT-UHFFFAOYSA-N 0 0 267.122 4.178 10 0 CIAERN c1ccn(-c2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000226246349 567038677 /nfs/dbraw/zinc/03/86/77/567038677.db2.gz AQFUEWYQSCFCLM-UHFFFAOYSA-N 0 0 260.296 4.286 10 0 CIAERN CNc1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000226270841 567039225 /nfs/dbraw/zinc/03/92/25/567039225.db2.gz IIHDUTAMJVEIND-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN Clc1cccc2c(Cl)ncc(Br)c12 ZINC000096856502 567041375 /nfs/dbraw/zinc/04/13/75/567041375.db2.gz URJQMADRGPYGDR-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000117759114 567092183 /nfs/dbraw/zinc/09/21/83/567092183.db2.gz ZLXCGNOCWQLHJQ-UHFFFAOYSA-N 0 0 251.329 4.309 10 0 CIAERN CC(C)CC(=O)c1cc2cccc(Br)c2o1 ZINC000158379960 567116766 /nfs/dbraw/zinc/11/67/66/567116766.db2.gz CTQFDNAKRZQYJQ-UHFFFAOYSA-N 0 0 281.149 4.424 10 0 CIAERN c1csc([C@@H]2CCCCN2c2nc3ccccc3o2)n1 ZINC000299682327 567145710 /nfs/dbraw/zinc/14/57/10/567145710.db2.gz RDFFTHHFMJJYRH-LBPRGKRZSA-N 0 0 285.372 4.016 10 0 CIAERN CCc1cc(N)cc2nc(-c3ccc(Cl)cc3)oc21 ZINC000062541795 567219943 /nfs/dbraw/zinc/21/99/43/567219943.db2.gz QOTXDPRJTKACJO-UHFFFAOYSA-N 0 0 272.735 4.293 10 0 CIAERN CCC(C)(C)C1CCC2(CC1)C(=O)CCN2C(C)C ZINC000712043602 567836990 /nfs/dbraw/zinc/83/69/90/567836990.db2.gz CBGLUHDLDYDXDN-UHFFFAOYSA-N 0 0 265.441 4.035 10 0 CIAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(Cl)cc1)C2 ZINC000004300871 567856677 /nfs/dbraw/zinc/85/66/77/567856677.db2.gz PPOIDZGFAOGDMF-MRRJBJDNSA-N 0 0 291.822 4.285 10 0 CIAERN CC(C)c1ccc(NC(=S)N[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000013703800 567867008 /nfs/dbraw/zinc/86/70/08/567867008.db2.gz OBGJFCLOSKJLBE-IVMMDQJWSA-N 0 0 286.444 4.061 10 0 CIAERN Cc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1 ZINC000041408217 567891316 /nfs/dbraw/zinc/89/13/16/567891316.db2.gz LXESBHLGBAHWHX-UHFFFAOYSA-N 0 0 272.657 4.124 10 0 CIAERN CC(=O)c1ccc2ccccc2c1OC(=O)c1cccs1 ZINC000001513157 567892129 /nfs/dbraw/zinc/89/21/29/567892129.db2.gz XGQPYUJCJBVYSY-UHFFFAOYSA-N 0 0 296.347 4.323 10 0 CIAERN Cc1ccc(C)c(-c2nc3cc(N)cc(C)c3o2)c1 ZINC000073639801 567893188 /nfs/dbraw/zinc/89/31/88/567893188.db2.gz FRYRENAYAVMLQB-UHFFFAOYSA-N 0 0 252.317 4.002 10 0 CIAERN FC(F)(F)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000098091168 567911391 /nfs/dbraw/zinc/91/13/91/567911391.db2.gz KJTTXTPFMGWOCS-DTWKUNHWSA-N 0 0 265.072 4.115 10 0 CIAERN CCC(C)(C)[C@H]1CCc2nc(Cl)cc(C(=O)OC)c2C1 ZINC000725260178 567917150 /nfs/dbraw/zinc/91/71/50/567917150.db2.gz ODPILPUACZLMNW-JTQLQIEISA-N 0 0 295.810 4.063 10 0 CIAERN CNc1cccc(-c2nn(C(C)C)cc2C(F)F)c1 ZINC000725270251 567924666 /nfs/dbraw/zinc/92/46/66/567924666.db2.gz JYLLITHVRVWPAU-UHFFFAOYSA-N 0 0 265.307 4.110 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2cnc(Cl)s2)n1 ZINC000725270394 567924713 /nfs/dbraw/zinc/92/47/13/567924713.db2.gz LTOROOQAEWFOLL-UHFFFAOYSA-N 0 0 277.727 4.179 10 0 CIAERN Cc1ccc(Oc2ccc(Br)cc2)c(C)n1 ZINC000396129125 567924784 /nfs/dbraw/zinc/92/47/84/567924784.db2.gz CGCADXIKCFQCOC-UHFFFAOYSA-N 0 0 278.149 4.253 10 0 CIAERN CC(=S)Nc1nc2c(ccc3ccccc23)s1 ZINC000018209693 567940408 /nfs/dbraw/zinc/94/04/08/567940408.db2.gz AVWJBIONGXCBBL-UHFFFAOYSA-N 0 0 258.371 4.209 10 0 CIAERN FC(F)(F)CNc1ccc(Br)cc1Cl ZINC000037392419 570248385 /nfs/dbraw/zinc/24/83/85/570248385.db2.gz LTSBWJRAUCGPKD-UHFFFAOYSA-N 0 0 288.494 4.077 10 0 CIAERN CCC(CC)c1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243302 570255059 /nfs/dbraw/zinc/25/50/59/570255059.db2.gz VWGMVQQTAGMZEH-UHFFFAOYSA-N 0 0 291.704 4.305 10 0 CIAERN CCOC(=O)c1sc(Br)cc1[C@@H](C)CC ZINC000675058165 570365117 /nfs/dbraw/zinc/36/51/17/570365117.db2.gz VGNMLBQZVUKJLP-ZETCQYMHSA-N 0 0 291.210 4.201 10 0 CIAERN CCc1nc2cc(Br)c(C)cc2c(C)c1C ZINC000669371952 570350676 /nfs/dbraw/zinc/35/06/76/570350676.db2.gz CFSILWQQPMCPSD-UHFFFAOYSA-N 0 0 278.193 4.485 10 0 CIAERN CC1(C)CCC(O)(c2cccc(Br)c2)CC1 ZINC000675059456 570365356 /nfs/dbraw/zinc/36/53/56/570365356.db2.gz PFPFIBVZGSTHLH-UHFFFAOYSA-N 0 0 283.209 4.237 10 0 CIAERN CC(C)C(=O)c1cc2c(cccc2Br)o1 ZINC000675080370 570368726 /nfs/dbraw/zinc/36/87/26/570368726.db2.gz CPNXQXCDGSNYAP-UHFFFAOYSA-N 0 0 267.122 4.034 10 0 CIAERN CC[C@H](C)C(=O)c1cc2cccc(Br)c2o1 ZINC000161456877 570407726 /nfs/dbraw/zinc/40/77/26/570407726.db2.gz PBJDZRQYOWMRNO-QMMMGPOBSA-N 0 0 281.149 4.424 10 0 CIAERN Nc1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000163702488 570408292 /nfs/dbraw/zinc/40/82/92/570408292.db2.gz YLMNQOTZSPEZBY-UHFFFAOYSA-N 0 0 256.107 4.382 10 0 CIAERN CC1(C)CCC(O)(c2ccc(Br)cc2)CC1 ZINC000382693701 570412834 /nfs/dbraw/zinc/41/28/34/570412834.db2.gz VTHRNWDFOOCUMC-UHFFFAOYSA-N 0 0 283.209 4.237 10 0 CIAERN CC(=O)O[C@H](C)/C(C)=C/[C@H]1C(C)=CCCC1(C)C ZINC000033953588 574414145 /nfs/dbraw/zinc/41/41/45/574414145.db2.gz TYUPZTIJMKMYHL-LEJUKPKUSA-N 0 0 250.382 4.267 10 0 endogenous,in-man CIAERN Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1 ZINC000013472838 581092172 /nfs/dbraw/zinc/09/21/72/581092172.db2.gz MEZBNKOGRFVYOF-UHFFFAOYSA-N 0 0 256.326 4.288 10 0 CIAERN CCCCCCCCCCCC[N+](C)(C)CCC(=O)[O-] ZINC000102239190 717145866 /nfs/dbraw/zinc/14/58/66/717145866.db2.gz RNKPJTIIVCCOKI-UHFFFAOYSA-O 0 0 286.480 4.458 10 0 CIAERN O=C(/C=C\c1cccc(Cl)c1)NCCCc1ccccc1 ZINC000096507736 230385577 /nfs/dbraw/zinc/38/55/77/230385577.db2.gz VAMFESKAAYPMSZ-QXMHVHEDSA-N 0 0 299.801 4.102 10 0 CIAERN Clc1ncc(-c2cccc(Br)c2)s1 ZINC000150277356 230394840 /nfs/dbraw/zinc/39/48/40/230394840.db2.gz WWEMFLPMJMFBLI-UHFFFAOYSA-N 0 0 274.570 4.226 10 0 CIAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC000095616841 185016556 /nfs/dbraw/zinc/01/65/56/185016556.db2.gz SRTMBQYLRUYJCV-CYBMUJFWSA-N 0 0 297.345 4.046 10 0 CIAERN CCCC[C@@H]1NC(=O)O[C@@H]1c1ccc2cc(OC)ccc2c1 ZINC000095642908 185017584 /nfs/dbraw/zinc/01/75/84/185017584.db2.gz IONYURSDEHGAEY-DLBZAZTESA-N 0 0 299.370 4.188 10 0 CIAERN Cc1cc(-c2n[nH]c(=S)n2CC(C)C)c2ccccc2n1 ZINC000082470948 178044193 /nfs/dbraw/zinc/04/41/93/178044193.db2.gz IRATUXQLZUGIGF-UHFFFAOYSA-N 0 0 298.415 4.120 10 0 CIAERN FC(F)(F)c1c(Br)cccc1OC1CC1 ZINC000095733829 185022865 /nfs/dbraw/zinc/02/28/65/185022865.db2.gz JHRNIOUKPNNYQR-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN FC(F)(F)c1ccc(Br)cc1OC1CC1 ZINC000095735979 185023983 /nfs/dbraw/zinc/02/39/83/185023983.db2.gz YJKGYOCVLRCPSN-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN FC(F)(F)c1cc(Br)ccc1OC1CC1 ZINC000095742009 185024975 /nfs/dbraw/zinc/02/49/75/185024975.db2.gz CINVAESKRFWVLZ-UHFFFAOYSA-N 0 0 281.071 4.009 10 0 CIAERN CC(C)c1nc(Cl)cc(N[C@H]2CCCC[C@@H]2C)n1 ZINC000082509569 178075888 /nfs/dbraw/zinc/07/58/88/178075888.db2.gz ALZFDRICAMMBEN-QWRGUYRKSA-N 0 0 267.804 4.244 10 0 CIAERN CCCCCCNc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509692 178075938 /nfs/dbraw/zinc/07/59/38/178075938.db2.gz LLUGTWYJKUPWTM-UHFFFAOYSA-N 0 0 269.820 4.420 10 0 CIAERN FC(F)(F)c1ccc2c(Br)nccc2c1 ZINC000095761757 185026728 /nfs/dbraw/zinc/02/67/28/185026728.db2.gz PWSKOPQZIJYYOI-UHFFFAOYSA-N 0 0 276.055 4.016 10 0 CIAERN Oc1cccc(CNc2cnccc2Oc2ccccc2)c1 ZINC000095828703 185028587 /nfs/dbraw/zinc/02/85/87/185028587.db2.gz DUFIHNJOERNNFQ-UHFFFAOYSA-N 0 0 292.338 4.192 10 0 CIAERN CC(C)(C)c1cc(Br)cc2c1NCCCC2 ZINC000095829173 185029013 /nfs/dbraw/zinc/02/90/13/185029013.db2.gz OIJXHOFQCXMZSH-UHFFFAOYSA-N 0 0 282.225 4.495 10 0 CIAERN Clc1nc2c(c(NC3CCCC3)n1)CC1(CCC1)S2 ZINC000095831316 185029410 /nfs/dbraw/zinc/02/94/10/185029410.db2.gz QSESKDROPUIJIP-UHFFFAOYSA-N 0 0 295.839 4.055 10 0 CIAERN O[C@@H](c1ccc(-c2cccc(F)c2)cc1)C(F)(F)F ZINC000095917647 185030556 /nfs/dbraw/zinc/03/05/56/185030556.db2.gz RYIFCXNFAICWRE-ZDUSSCGKSA-N 0 0 270.225 4.088 10 0 CIAERN Cc1csc(-c2ccc(F)c(Br)c2)n1 ZINC000082577183 178117874 /nfs/dbraw/zinc/11/78/74/178117874.db2.gz LNNHTNUOQHGWCD-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN Cc1ccc(/C=C\C(=O)N2CCCCCC2)cc1Cl ZINC000095938380 185034905 /nfs/dbraw/zinc/03/49/05/185034905.db2.gz LECBGDFTJPIOCR-HJWRWDBZSA-N 0 0 277.795 4.064 10 0 CIAERN COC[C@H](Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000095940741 185036401 /nfs/dbraw/zinc/03/64/01/185036401.db2.gz CRRDAJUMDTYFBN-HNNXBMFYSA-N 0 0 299.267 4.043 10 0 CIAERN CC[C@@H](O)c1ccc(Br)c2ccccc21 ZINC000083165700 178347888 /nfs/dbraw/zinc/34/78/88/178347888.db2.gz JZVICUREUQMFSZ-CYBMUJFWSA-N 0 0 265.150 4.046 10 0 CIAERN COC(=O)c1nc(C)sc1-c1cccc2ccccc21 ZINC000083239230 178366151 /nfs/dbraw/zinc/36/61/51/178366151.db2.gz ORWKUVMHKZJMMQ-UHFFFAOYSA-N 0 0 283.352 4.058 10 0 CIAERN Clc1cccc(Cl)c1NCc1ccccn1 ZINC000083394480 178402867 /nfs/dbraw/zinc/40/28/67/178402867.db2.gz SSBREUVFCLYIHI-UHFFFAOYSA-N 0 0 253.132 4.001 10 0 CIAERN Clc1ccc(Br)c2ccnc(Cl)c12 ZINC000096850560 185117650 /nfs/dbraw/zinc/11/76/50/185117650.db2.gz PCSVGOAXGHWSKW-UHFFFAOYSA-N 0 0 276.948 4.304 10 0 CIAERN Cc1c(Cl)cc(C(C)C)c(O)c1Br ZINC000096934394 185132912 /nfs/dbraw/zinc/13/29/12/185132912.db2.gz WWEITECBBYYIHS-UHFFFAOYSA-N 0 0 263.562 4.240 10 0 CIAERN CCc1ccc(CNc2c(C)ccnc2Cl)cc1 ZINC000083442539 178456078 /nfs/dbraw/zinc/45/60/78/178456078.db2.gz YACCLIRWYMOODH-UHFFFAOYSA-N 0 0 260.768 4.218 10 0 CIAERN CCCOC(=O)c1ccc(NCCC(C)(C)C)cc1 ZINC000083460011 178483147 /nfs/dbraw/zinc/48/31/47/178483147.db2.gz BAZRNUKTKGKSTK-UHFFFAOYSA-N 0 0 263.381 4.102 10 0 CIAERN Cc1ccc(NCc2ccc(F)cc2Cl)cc1O ZINC000083482763 178507813 /nfs/dbraw/zinc/50/78/13/178507813.db2.gz LJTJYLITKNFISW-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN C[C@@H]1C[C@@H](C)CN(c2c(Cl)cc(N)cc2Cl)C1 ZINC000226316425 136386825 /nfs/dbraw/zinc/38/68/25/136386825.db2.gz JFUGRCHOPKQXED-RKDXNWHRSA-N 0 0 273.207 4.058 10 0 CIAERN C[C@@H]1CCC[C@@H](C)N1c1c(Cl)cc(N)cc1Cl ZINC000226316405 136386849 /nfs/dbraw/zinc/38/68/49/136386849.db2.gz PZQFFPFNSLADLO-RKDXNWHRSA-N 0 0 273.207 4.343 10 0 CIAERN CCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097151137 185550372 /nfs/dbraw/zinc/55/03/72/185550372.db2.gz NSODXTLMVPTPMV-NSHDSACASA-N 0 0 253.773 4.050 10 0 CIAERN CCCCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000097151138 185550738 /nfs/dbraw/zinc/55/07/38/185550738.db2.gz NSODXTLMVPTPMV-LLVKDONJSA-N 0 0 253.773 4.050 10 0 CIAERN O=C1C[C@H](c2c(F)cccc2Cl)Nc2ccccc21 ZINC000097758122 185662679 /nfs/dbraw/zinc/66/26/79/185662679.db2.gz DNGYQQWGLSKMMN-CYBMUJFWSA-N 0 0 275.710 4.219 10 0 CIAERN Cc1ccc(Nc2cc(-c3cccs3)[nH]n2)cc1 ZINC000085346294 179029163 /nfs/dbraw/zinc/02/91/63/179029163.db2.gz YQWGIVBCXCTMFT-UHFFFAOYSA-N 0 0 255.346 4.190 10 0 CIAERN Brc1csc(CC2CC2)c1Br ZINC000098179151 185698170 /nfs/dbraw/zinc/69/81/70/185698170.db2.gz HJQAWNUNDJSQOJ-UHFFFAOYSA-N 0 0 296.027 4.226 10 0 CIAERN Brc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000098178732 185698360 /nfs/dbraw/zinc/69/83/60/185698360.db2.gz PTBZXKFONYCXGX-UHFFFAOYSA-N 0 0 299.171 4.302 10 0 CIAERN FC(F)(F)c1ccc(-c2c[nH]c3ncnc(Cl)c23)cc1 ZINC000098180913 185699268 /nfs/dbraw/zinc/69/92/68/185699268.db2.gz WDTWFRAEIADGLR-UHFFFAOYSA-N 0 0 297.667 4.297 10 0 CIAERN Nc1ccc2c(c1)CCCN2Cc1ccc(F)cc1Cl ZINC000019875232 136579455 /nfs/dbraw/zinc/57/94/55/136579455.db2.gz LAEOLZFTIQNVLY-UHFFFAOYSA-N 0 0 290.769 4.014 10 0 CIAERN CCCc1nc(-c2cccc(Cl)c2Cl)c(N)n1CC ZINC000103501094 185845289 /nfs/dbraw/zinc/84/52/89/185845289.db2.gz GUFAMFRRZRXZJW-UHFFFAOYSA-N 0 0 298.217 4.412 10 0 CIAERN CCn1cc2c(-c3ccccc3)nnc-2c2ccccc21 ZINC000103649736 185853030 /nfs/dbraw/zinc/85/30/30/185853030.db2.gz YGNIACPDESMYOM-UHFFFAOYSA-N 0 0 273.339 4.223 10 0 CIAERN CC(C)c1nnc(Cl)n1-c1ccc(Cl)c(Cl)c1 ZINC000103924472 185862574 /nfs/dbraw/zinc/86/25/74/185862574.db2.gz GIKPUIJWXSKDJF-UHFFFAOYSA-N 0 0 290.581 4.351 10 0 CIAERN CCCNc1nc(CCC)nc2sc(C)c(C)c21 ZINC000103984997 185875384 /nfs/dbraw/zinc/87/53/84/185875384.db2.gz ZDVBREHIEMMABQ-UHFFFAOYSA-N 0 0 263.410 4.083 10 0 CIAERN CC(C)(C)CCSc1nc2ccc(N)cc2s1 ZINC000103971821 185872329 /nfs/dbraw/zinc/87/23/29/185872329.db2.gz GYLLMFGYFSKXII-UHFFFAOYSA-N 0 0 266.435 4.407 10 0 CIAERN CCC1CCC(CNc2ccc(Br)cn2)CC1 ZINC000103975080 185873234 /nfs/dbraw/zinc/87/32/34/185873234.db2.gz GIPFDKQOWRCTHY-UHFFFAOYSA-N 0 0 297.240 4.472 10 0 CIAERN CCc1ccc(C(=O)c2ccc3c(c2)CCCC3)s1 ZINC000104008676 185881341 /nfs/dbraw/zinc/88/13/41/185881341.db2.gz MBMQFZBVPJBNQE-UHFFFAOYSA-N 0 0 270.397 4.420 10 0 CIAERN CCCc1nc(-c2cccc3ccccc32)c(N)s1 ZINC000103986567 185876056 /nfs/dbraw/zinc/87/60/56/185876056.db2.gz RMSKWTGLPISKIG-UHFFFAOYSA-N 0 0 268.385 4.498 10 0 CIAERN Cc1ccc(Nc2cccc(F)c2N)cc1Br ZINC000104063494 185890005 /nfs/dbraw/zinc/89/00/05/185890005.db2.gz REWVSDZGIZORGT-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN CC(C)c1cccc(OCc2c(N)cccc2F)c1 ZINC000104067577 185890926 /nfs/dbraw/zinc/89/09/26/185890926.db2.gz AMXDWGFVPXJBFQ-UHFFFAOYSA-N 0 0 259.324 4.110 10 0 CIAERN CC[C@H](Nc1cc(OC)c(F)cc1N)c1cccs1 ZINC000104125112 185899098 /nfs/dbraw/zinc/89/90/98/185899098.db2.gz UEJHSOBKDYECRK-NSHDSACASA-N 0 0 280.368 4.041 10 0 CIAERN Clc1ccc(NC2CCC2)cc1Br ZINC000087152714 179398223 /nfs/dbraw/zinc/39/82/23/179398223.db2.gz SSIWEFAOGKOJAW-UHFFFAOYSA-N 0 0 260.562 4.067 10 0 CIAERN CCOc1ccccc1-c1nc(Cl)c(C)c(Cl)n1 ZINC000104144660 185911872 /nfs/dbraw/zinc/91/18/72/185911872.db2.gz TZJLYWGFJVUHRH-UHFFFAOYSA-N 0 0 283.158 4.158 10 0 CIAERN CCCc1cc(NCC)nc(-c2ccc(Cl)s2)n1 ZINC000104153367 185912616 /nfs/dbraw/zinc/91/26/16/185912616.db2.gz AKYZMZKFFRPHOX-UHFFFAOYSA-N 0 0 281.812 4.243 10 0 CIAERN CC(C)[C@@H]1CCc2nc(-c3ccc(O)cc3)sc2C1 ZINC000104172535 185916134 /nfs/dbraw/zinc/91/61/34/185916134.db2.gz PQZOVJMCGFRBNS-GFCCVEGCSA-N 0 0 273.401 4.277 10 0 CIAERN Cc1c(Cl)cccc1N1Cc2ccc(F)cc2C1=N ZINC000104172441 185916512 /nfs/dbraw/zinc/91/65/12/185916512.db2.gz RLYFHSICTDCDKF-UHFFFAOYSA-N 0 0 274.726 4.133 10 0 CIAERN CCCCN(c1ccc(F)cc1C=O)[C@H](C)CC ZINC000104169769 185916522 /nfs/dbraw/zinc/91/65/22/185916522.db2.gz DURNEXNXJYVRJR-GFCCVEGCSA-N 0 0 251.345 4.043 10 0 CIAERN CC(C)c1c(Cl)ncnc1O[C@H]1CCC[C@@H](C)C1 ZINC000104205593 185930895 /nfs/dbraw/zinc/93/08/95/185930895.db2.gz KJTYKTGZJNPRGF-MNOVXSKESA-N 0 0 268.788 4.211 10 0 CIAERN CCc1c(Cl)ncnc1Nc1cccc(C)c1C ZINC000104212288 185932874 /nfs/dbraw/zinc/93/28/74/185932874.db2.gz CWQMLPCAHLDURA-UHFFFAOYSA-N 0 0 261.756 4.053 10 0 CIAERN Cc1ccc(Nc2ncnc(Cl)c2C)cc1Cl ZINC000104212274 185932934 /nfs/dbraw/zinc/93/29/34/185932934.db2.gz ZOAPVARIAIWMKM-UHFFFAOYSA-N 0 0 268.147 4.144 10 0 CIAERN CCOc1cc(Nc2ccc(SC)cc2)ccc1N ZINC000104247909 185942685 /nfs/dbraw/zinc/94/26/85/185942685.db2.gz OMQYUFDNGMQLBR-UHFFFAOYSA-N 0 0 274.389 4.133 10 0 CIAERN O=C(CCc1cccs1)C1(c2ccccc2)CCC1 ZINC000104273606 185951398 /nfs/dbraw/zinc/95/13/98/185951398.db2.gz KCSMRLZHAYQVGS-UHFFFAOYSA-N 0 0 270.397 4.372 10 0 CIAERN O=Cc1ccc(Sc2ccccc2Cl)c(F)c1 ZINC000104293929 185957943 /nfs/dbraw/zinc/95/79/43/185957943.db2.gz HTQDAAQQNYOKRE-UHFFFAOYSA-N 0 0 266.724 4.443 10 0 CIAERN CCCc1nc(Cn2c(C)cc3ccccc32)cs1 ZINC000104288358 185956412 /nfs/dbraw/zinc/95/64/12/185956412.db2.gz IYGAQRLZCPVPBQ-UHFFFAOYSA-N 0 0 270.401 4.407 10 0 CIAERN C[C@@H](O)c1cc(F)ccc1Sc1ccc(F)c(F)c1 ZINC000104291085 185956857 /nfs/dbraw/zinc/95/68/57/185956857.db2.gz OHFWJGMGDCDUCX-MRVPVSSYSA-N 0 0 284.302 4.308 10 0 CIAERN Nc1cccc(Cl)c1COCC1CCCCC1 ZINC000104326670 185970359 /nfs/dbraw/zinc/97/03/59/185970359.db2.gz XSBYTZZQKHRQHX-UHFFFAOYSA-N 0 0 253.773 4.019 10 0 CIAERN CNc1cnc(Cl)cc1-c1ccccc1Br ZINC000090505449 179994563 /nfs/dbraw/zinc/99/45/63/179994563.db2.gz YXMUCYSVRDXQBL-UHFFFAOYSA-N 0 0 297.583 4.206 10 0 CIAERN C[C@@H](CC(=O)c1cn(C)c2ccccc12)C(C)(C)C ZINC000104432727 186000231 /nfs/dbraw/zinc/00/02/31/186000231.db2.gz MMOQLTLFZBYBQK-LBPRGKRZSA-N 0 0 257.377 4.433 10 0 CIAERN COc1ccc(C)cc1[C@H](O)C[C@@H](C)C(C)(C)C ZINC000104434192 186000489 /nfs/dbraw/zinc/00/04/89/186000489.db2.gz SRRPNGPCGJWXHQ-TZMCWYRMSA-N 0 0 250.382 4.109 10 0 CIAERN COc1ccc(C)cc1[C@@H](O)C[C@H](C)C(C)(C)C ZINC000104434208 186000490 /nfs/dbraw/zinc/00/04/90/186000490.db2.gz SRRPNGPCGJWXHQ-JSGCOSHPSA-N 0 0 250.382 4.109 10 0 CIAERN Brc1ccc(CCOCc2ccccc2)cc1 ZINC000090549535 180001566 /nfs/dbraw/zinc/00/15/66/180001566.db2.gz DUVMFQYEWCGNPH-UHFFFAOYSA-N 0 0 291.188 4.208 10 0 CIAERN O=Cc1ccc(/C=C/c2nc3ccccc3s2)cc1 ZINC000090669104 180020158 /nfs/dbraw/zinc/02/01/58/180020158.db2.gz YCRMAXKCMOCJBM-MDZDMXLPSA-N 0 0 265.337 4.279 10 0 CIAERN FC(F)(F)C(F)(F)c1ncc(Cl)cc1Cl ZINC000091252227 180113928 /nfs/dbraw/zinc/11/39/28/180113928.db2.gz WKNHBNRNVUNAQE-UHFFFAOYSA-N 0 0 265.996 4.043 10 0 CIAERN COC(=O)c1cccc2c3sc(C)cc3c(Cl)nc12 ZINC000091691783 180228439 /nfs/dbraw/zinc/22/84/39/180228439.db2.gz PVDNGUJABSSJFT-UHFFFAOYSA-N 0 0 291.759 4.198 10 0 CIAERN Clc1cc(C2CC2)nc(-c2ccccc2Cl)n1 ZINC000110445091 186296119 /nfs/dbraw/zinc/29/61/19/186296119.db2.gz LGNDTFLZQOBOEB-UHFFFAOYSA-N 0 0 265.143 4.328 10 0 CIAERN FC(F)c1ccc(Br)cc1Br ZINC000112731845 186526010 /nfs/dbraw/zinc/52/60/10/186526010.db2.gz ADQGWNQGPPSFLG-UHFFFAOYSA-N 0 0 285.913 4.149 10 0 CIAERN COc1ccccc1-c1ccccc1Br ZINC000137008634 187891794 /nfs/dbraw/zinc/89/17/94/187891794.db2.gz ZAQLWMUDNQIIJQ-UHFFFAOYSA-N 0 0 263.134 4.125 10 0 CIAERN O=C(c1ccc(-c2ccccc2)s1)N1CCCCC1 ZINC000145434668 187911779 /nfs/dbraw/zinc/91/17/79/187911779.db2.gz FSIWHZKYZKSONT-UHFFFAOYSA-N 0 0 271.385 4.041 10 0 CIAERN COc1ccc2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1)O2 ZINC000165294981 188631046 /nfs/dbraw/zinc/63/10/46/188631046.db2.gz JFHXNCOKOJEZLG-INIZCTEOSA-N 0 0 288.730 4.055 10 0 CIAERN COc1cc([C@@H]2C[C@H]3C[C@@H]2C(C)(C)[C@H]3C)ccc1O ZINC000216079891 189699470 /nfs/dbraw/zinc/69/94/70/189699470.db2.gz ZDDMXFRCSRMVFF-PYJNHQTQSA-N 0 0 260.377 4.187 10 0 CIAERN COc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000226291273 189771480 /nfs/dbraw/zinc/77/14/80/189771480.db2.gz MEMTYYNVJKIDTH-FQEVSTJZSA-N 0 0 290.362 4.444 10 0 CIAERN CCNc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000226284310 189771554 /nfs/dbraw/zinc/77/15/54/189771554.db2.gz UUORJWSWEINQGZ-UHFFFAOYSA-N 0 0 256.280 4.066 10 0 CIAERN CCc1cc(N)cc(Cl)c1N(C)C1CCCCC1 ZINC000226316076 189772380 /nfs/dbraw/zinc/77/23/80/189772380.db2.gz CDPYNBNDSHPUIV-UHFFFAOYSA-N 0 0 266.816 4.254 10 0 CIAERN CCc1cc(N)cc(Cl)c1NC1CCCCC1 ZINC000226316088 189772626 /nfs/dbraw/zinc/77/26/26/189772626.db2.gz SFOUBIUIUGRJTR-UHFFFAOYSA-N 0 0 252.789 4.229 10 0 CIAERN Cc1c[nH]c2cc(C(F)(F)F)cc(Br)c12 ZINC000261507510 190040241 /nfs/dbraw/zinc/04/02/41/190040241.db2.gz JJEQRCYDJOCLLH-UHFFFAOYSA-N 0 0 278.071 4.258 10 0 CIAERN Cc1nc2cc(N[C@@H](C)c3csc(C)n3)ccc2o1 ZINC000036915379 184537737 /nfs/dbraw/zinc/53/77/37/184537737.db2.gz BPLLHZQHSIDNJS-QMMMGPOBSA-N 0 0 273.361 4.074 10 0 CIAERN COc1cc(Cl)c(N[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000037043660 184539128 /nfs/dbraw/zinc/53/91/28/184539128.db2.gz YIAQZHYFDVHWDD-WDEREUQCSA-N 0 0 283.799 4.348 10 0 CIAERN Nc1cc(Cl)c(Cl)cc1Oc1ccccc1 ZINC000039395548 184547109 /nfs/dbraw/zinc/54/71/09/184547109.db2.gz PDOWROQDIXWGIV-UHFFFAOYSA-N 0 0 254.116 4.368 10 0 CIAERN Nc1cccc([C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000226293500 256785144 /nfs/dbraw/zinc/78/51/44/256785144.db2.gz ILHWRWDUDRDDJG-IBGZPJMESA-N 0 0 275.351 4.018 10 0 CIAERN Cc1c(N)cccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000226293381 256785263 /nfs/dbraw/zinc/78/52/63/256785263.db2.gz GNAQPIBCRCHCID-UHFFFAOYSA-N 0 0 287.362 4.475 10 0 CIAERN Fc1ccc(Oc2ccccc2)cc1Br ZINC000086862916 256811823 /nfs/dbraw/zinc/81/18/23/256811823.db2.gz URCUHTMNVBERAZ-UHFFFAOYSA-N 0 0 267.097 4.381 10 0 CIAERN CCNc1nc(Cc2ccccc2)nc2sc(C)c(C)c21 ZINC000096196381 256770798 /nfs/dbraw/zinc/77/07/98/256770798.db2.gz XFSOZSQFNDYKSR-UHFFFAOYSA-N 0 0 297.427 4.331 10 0 CIAERN C[C@H](NC(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000020538429 262248233 /nfs/dbraw/zinc/24/82/33/262248233.db2.gz LQVXHPRFNCSGMP-NSHDSACASA-N 0 0 280.799 4.033 10 0 CIAERN COc1ccc(C)c2c1[C@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 ZINC000004369989 256872483 /nfs/dbraw/zinc/87/24/83/256872483.db2.gz ROENYRHGHDRWLQ-UIVXKWKOSA-N 0 0 298.426 4.429 10 0 CIAERN COC(=O)c1oc(-c2cc(Cl)ccc2Cl)cc1C ZINC000000538322 169664715 /nfs/dbraw/zinc/66/47/15/169664715.db2.gz NJWUXTXUPJJSSY-UHFFFAOYSA-N 0 0 285.126 4.348 10 0 CIAERN COc1ccc(-c2csc(-c3ccncc3)n2)cc1C ZINC000000892048 169682700 /nfs/dbraw/zinc/68/27/00/169682700.db2.gz OTYVAIUQECRPMH-UHFFFAOYSA-N 0 0 282.368 4.189 10 0 CIAERN CSCCCOc1cc(C)c(Br)c(C)c1 ZINC000095082319 184938492 /nfs/dbraw/zinc/93/84/92/184938492.db2.gz ROHGMEOHOHYTSX-UHFFFAOYSA-N 0 0 289.238 4.198 10 0 CIAERN CSCCCNc1ccc2c(Cl)ccnc2c1F ZINC000301289967 533572213 /nfs/dbraw/zinc/57/22/13/533572213.db2.gz SYXGQUNVHMFFEC-UHFFFAOYSA-N 0 0 284.787 4.192 10 0 CIAERN Cc1ccc(C)c(N(Cc2nnc(C(C)C)o2)C(C)C)c1 ZINC000113252774 533671129 /nfs/dbraw/zinc/67/11/29/533671129.db2.gz FMDGKKZJOUZJCI-UHFFFAOYSA-N 0 0 287.407 4.225 10 0 CIAERN Cc1cc(C(=O)CN2CCCc3cc(C)ccc32)c(C)s1 ZINC000035036697 134787549 /nfs/dbraw/zinc/78/75/49/134787549.db2.gz KOTFOGYYFIKWFP-UHFFFAOYSA-N 0 0 299.439 4.309 10 0 CIAERN Cc1cc(N2c3ccccc3CC[C@@H]2C)ccc1N ZINC000035277536 134789289 /nfs/dbraw/zinc/78/92/89/134789289.db2.gz OMRJERBNFCTIEX-ZDUSSCGKSA-N 0 0 252.361 4.050 10 0 CIAERN Clc1nc(Cl)c(-c2ccccc2)c(Cl)n1 ZINC000001694098 169744060 /nfs/dbraw/zinc/74/40/60/169744060.db2.gz YMCHZJBZJNKSHU-UHFFFAOYSA-N 0 0 259.523 4.104 10 0 CIAERN Clc1ccc(-c2ccc(-c3ccccn3)nc2)cc1 ZINC000002525138 169802116 /nfs/dbraw/zinc/80/21/16/169802116.db2.gz FGBHEMFZPFXRMI-UHFFFAOYSA-N 0 0 266.731 4.464 10 0 CIAERN COc1cccc(CCOc2ccnc3c(F)cccc23)c1 ZINC000005115791 170067018 /nfs/dbraw/zinc/06/70/18/170067018.db2.gz WQOWFBGRJQLRMO-UHFFFAOYSA-N 0 0 297.329 4.004 10 0 CIAERN c1ccc2[nH]c(Cc3ccc4ccccc4c3)nc2c1 ZINC000005117559 170067526 /nfs/dbraw/zinc/06/75/26/170067526.db2.gz TXUQJAOFDMFKDK-UHFFFAOYSA-N 0 0 258.324 4.307 10 0 CIAERN CC(C)(C)C1CCC([S@@](=O)c2ccccc2)CC1 ZINC000005124748 170068435 /nfs/dbraw/zinc/06/84/35/170068435.db2.gz JXHBFOUDFANFLZ-LEHRNKBSSA-N 0 0 264.434 4.399 10 0 CIAERN CSc1ccc2nc(NC(=O)C(C)(C)C)sc2c1 ZINC000005299143 170084068 /nfs/dbraw/zinc/08/40/68/170084068.db2.gz YZKDUOSDGHEIJU-UHFFFAOYSA-N 0 0 280.418 4.003 10 0 CIAERN CC(C)(C)OC(=O)c1cccc(Oc2ccccc2)c1 ZINC000005353712 170089128 /nfs/dbraw/zinc/08/91/28/170089128.db2.gz WXGIEWPVCDDFTD-UHFFFAOYSA-N 0 0 270.328 4.434 10 0 CIAERN Cc1ccc(O)c(Cc2cc(C(C)(C)C)ccc2O)c1 ZINC000005379926 170091596 /nfs/dbraw/zinc/09/15/96/170091596.db2.gz AJTCIZAPGUMNLJ-UHFFFAOYSA-N 0 0 270.372 4.295 10 0 CIAERN Cc1ccc([C@H](O)[C@H](c2ccccc2)n2cccc2)cc1 ZINC000005416310 170096472 /nfs/dbraw/zinc/09/64/72/170096472.db2.gz AMDCAOGVRMRURX-OALUTQOASA-N 0 0 277.367 4.120 10 0 CIAERN Cc1ccc([C@@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005416376 170096495 /nfs/dbraw/zinc/09/64/95/170096495.db2.gz VGLVHBIOEVSKBC-HXUWFJFHSA-N 0 0 299.377 4.377 10 0 CIAERN CC(C)(C)NC(=O)c1ccccc1Oc1ccccc1 ZINC000005496301 170104397 /nfs/dbraw/zinc/10/43/97/170104397.db2.gz FJDIFUCFLHQFBX-UHFFFAOYSA-N 0 0 269.344 4.007 10 0 CIAERN Cc1ccc(Cl)c2[nH]c(-c3ccccc3)cc(=O)c12 ZINC000005504002 170105315 /nfs/dbraw/zinc/10/53/15/170105315.db2.gz LCZVTJHZBPWWFD-UHFFFAOYSA-N 0 0 269.731 4.157 10 0 CIAERN Cc1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000005551097 170112505 /nfs/dbraw/zinc/11/25/05/170112505.db2.gz DAJRCBSXAHNOER-LBPRGKRZSA-N 0 0 273.763 4.139 10 0 CIAERN CC[C@@H](C(=O)n1cnc2cc(C)c(C)cc21)c1ccccc1 ZINC000005666321 170125614 /nfs/dbraw/zinc/12/56/14/170125614.db2.gz HOQGIRWDLPMTGV-MRXNPFEDSA-N 0 0 292.382 4.487 10 0 CIAERN CCCCC(=O)Nc1ccc(C(=O)OCCC(C)C)cc1 ZINC000005711514 170132380 /nfs/dbraw/zinc/13/23/80/170132380.db2.gz NIJQOLBQBKPUSW-UHFFFAOYSA-N 0 0 291.391 4.018 10 0 CIAERN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)C(C)C ZINC000005726899 170133876 /nfs/dbraw/zinc/13/38/76/170133876.db2.gz OJUFHIJAQQDZHU-MDZDMXLPSA-N 0 0 296.366 4.427 10 0 CIAERN Cc1ccc(C2=NN[C@@]3(C[C@H]4C[C@@H]3[C@H]3CCC[C@H]43)S2)cc1 ZINC000005745684 170136241 /nfs/dbraw/zinc/13/62/41/170136241.db2.gz HQLRKYYGUPFETA-QFXBJFAPSA-N 0 0 298.455 4.145 10 0 CIAERN CC(C)=CCOc1ccc(C)cc1Br ZINC000005744511 170136359 /nfs/dbraw/zinc/13/63/59/170136359.db2.gz SZRHTIFTCODIAC-UHFFFAOYSA-N 0 0 255.155 4.103 10 0 CIAERN Cc1ccc(-c2nc(=S)c3c(o2)CCCC3)cc1 ZINC000005753628 170136979 /nfs/dbraw/zinc/13/69/79/170136979.db2.gz YDKRWRWHNHCXSA-UHFFFAOYSA-N 0 0 257.358 4.258 10 0 CIAERN CCCN1c2cc(C)c(C)cc2Oc2ccc(N)cc2C1=O ZINC000005838781 170145427 /nfs/dbraw/zinc/14/54/27/170145427.db2.gz BBWJIFGPEJUGDS-UHFFFAOYSA-N 0 0 296.370 4.048 10 0 CIAERN CCCCCCOc1ccc(C(=O)NCC(C)C)cc1 ZINC000005951182 170161117 /nfs/dbraw/zinc/16/11/17/170161117.db2.gz PJZBPIFKWQXKGY-UHFFFAOYSA-N 0 0 277.408 4.032 10 0 CIAERN CCCNC(=O)NC1CCCCCCCCCCC1 ZINC000005951886 170161689 /nfs/dbraw/zinc/16/16/89/170161689.db2.gz OIRZBBIIIHNGNF-UHFFFAOYSA-N 0 0 268.445 4.369 10 0 CIAERN C=Cc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000005955853 170161993 /nfs/dbraw/zinc/16/19/93/170161993.db2.gz BFKMKTXWLSOMEF-SSGANFLRSA-N 0 0 298.426 4.252 10 0 CIAERN CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)OC[C@@H](C)O1 ZINC000006031309 170169536 /nfs/dbraw/zinc/16/95/36/170169536.db2.gz OJMGTOSDJXUMLL-FMKPAKJESA-N 0 0 252.398 4.301 10 0 CIAERN CCCC[C@@H](CC)C(=O)N(CC(C)C)CC(C)C ZINC000006042769 170171260 /nfs/dbraw/zinc/17/12/60/170171260.db2.gz DZMMYWVVEPFSHJ-OAHLLOKOSA-N 0 0 255.446 4.343 10 0 CIAERN Cc1cc(Cl)ccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000006070167 170173784 /nfs/dbraw/zinc/17/37/84/170173784.db2.gz LGVUPKLKXKOWAC-UHFFFAOYSA-N 0 0 269.735 4.101 10 0 CIAERN Brc1ccc(Cc2nc3ccccc3o2)cc1 ZINC000006118710 170177083 /nfs/dbraw/zinc/17/70/83/170177083.db2.gz GAKVIUPIYZMQBR-UHFFFAOYSA-N 0 0 288.144 4.181 10 0 CIAERN C[C@@H]1CCC[C@H](C)N1C(=O)/C=C\c1cccc(Cl)c1 ZINC000006175632 170180807 /nfs/dbraw/zinc/18/08/07/170180807.db2.gz JSESHOCXIREMQL-WCULEZNASA-N 0 0 277.795 4.143 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000006301988 170189359 /nfs/dbraw/zinc/18/93/59/170189359.db2.gz UAVXCXIVKJGXNC-VAWYXSNFSA-N 0 0 298.411 4.064 10 0 CIAERN CC(C)(C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006305018 170189739 /nfs/dbraw/zinc/18/97/39/170189739.db2.gz PXGAJOYBKWHWKW-VKAVYKQESA-N 0 0 279.383 4.142 10 0 CIAERN CCN(C(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000006311602 170190157 /nfs/dbraw/zinc/19/01/57/170190157.db2.gz VZYJCTJDPRBDRI-JLHYYAGUSA-N 0 0 285.774 4.406 10 0 CIAERN O=C(Nc1ccccc1-n1cccc1)c1cccc(Cl)c1 ZINC000006392655 170197649 /nfs/dbraw/zinc/19/76/49/170197649.db2.gz ALLXLZKKXQECNS-UHFFFAOYSA-N 0 0 296.757 4.383 10 0 CIAERN Cc1ccc2c(=O)cc(-c3ccc4ccccc4c3)nc-2[nH]1 ZINC000006488312 170205292 /nfs/dbraw/zinc/20/52/92/170205292.db2.gz DLKWDNZHLDGWPT-UHFFFAOYSA-N 0 0 286.334 4.052 10 0 CIAERN Cc1cc(C)cc(NCc2ccc(O)c3ncccc23)c1 ZINC000006571478 170214315 /nfs/dbraw/zinc/21/43/15/170214315.db2.gz ATDTUTJAGIPSTP-UHFFFAOYSA-N 0 0 278.355 4.169 10 0 CIAERN Cc1ccc(OC(=O)/C=C/c2ccc(F)cc2)c(C)c1 ZINC000006843825 170248139 /nfs/dbraw/zinc/24/81/39/170248139.db2.gz JSGTXFKIZNAYJU-UXBLZVDNSA-N 0 0 270.303 4.061 10 0 CIAERN Cc1ccc(-c2csc(NCC(C)C)n2)s1 ZINC000007643343 170294822 /nfs/dbraw/zinc/29/48/22/170294822.db2.gz VWHJBYZHNCQWAU-UHFFFAOYSA-N 0 0 252.408 4.248 10 0 CIAERN COc1ccc(OC)c(-c2csc(NC(C)(C)C)n2)c1 ZINC000007643858 170295403 /nfs/dbraw/zinc/29/54/03/170295403.db2.gz WFIHLEMWHSCAIN-UHFFFAOYSA-N 0 0 292.404 4.038 10 0 CIAERN O=C(CNc1ccc2ccccc2c1)Nc1ccc(F)cc1 ZINC000007955597 170310027 /nfs/dbraw/zinc/31/00/27/170310027.db2.gz VYAOPKSHRIDCBX-UHFFFAOYSA-N 0 0 294.329 4.030 10 0 CIAERN CCCCCC(=O)Nc1ccc(OCCCC)cc1 ZINC000008110060 170319294 /nfs/dbraw/zinc/31/92/94/170319294.db2.gz ZOUPHACRRSZHFP-UHFFFAOYSA-N 0 0 263.381 4.384 10 0 CIAERN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2c(C)cccc2C)c1 ZINC000008162885 170322044 /nfs/dbraw/zinc/32/20/44/170322044.db2.gz HAXZVALHHDAWGJ-INIZCTEOSA-N 0 0 297.398 4.326 10 0 CIAERN Cc1cccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)c1C ZINC000008163102 170322099 /nfs/dbraw/zinc/32/20/99/170322099.db2.gz WLIUQCCLVNHZNI-INIZCTEOSA-N 0 0 297.398 4.326 10 0 CIAERN C[C@H]1CCC[C@H](C)N1C(=S)Nc1ccccc1Cl ZINC000008269483 170327975 /nfs/dbraw/zinc/32/79/75/170327975.db2.gz DZOJNGNYTRXLEL-QWRGUYRKSA-N 0 0 282.840 4.300 10 0 CIAERN O=C(c1cccc(-c2cccs2)c1)N1CCCCC1 ZINC000008512945 170338906 /nfs/dbraw/zinc/33/89/06/170338906.db2.gz GAGHLLXBFXIFOW-UHFFFAOYSA-N 0 0 271.385 4.041 10 0 CIAERN CCCCOc1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000008564344 170340541 /nfs/dbraw/zinc/34/05/41/170340541.db2.gz AQIGTKBRVWHZPV-UHFFFAOYSA-N 0 0 287.334 4.257 10 0 CIAERN CC(C)n1c(Cc2cccs2)nc2ccccc21 ZINC000008786990 170355922 /nfs/dbraw/zinc/35/59/22/170355922.db2.gz XZWZFEYXKQUBMC-UHFFFAOYSA-N 0 0 256.374 4.270 10 0 CIAERN CC(=O)c1cc(C)n(Cc2cccc(Cl)c2)c1C ZINC000009246054 170368141 /nfs/dbraw/zinc/36/81/41/170368141.db2.gz BTAYQMSCVURGMH-UHFFFAOYSA-N 0 0 261.752 4.009 10 0 CIAERN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C ZINC000011637141 170430260 /nfs/dbraw/zinc/43/02/60/170430260.db2.gz VEYBBTXPZRIZDX-SFHVURJKSA-N 0 0 297.398 4.408 10 0 CIAERN CCOc1ccc(Nc2nc(Cl)nc3ccccc32)cc1 ZINC000011756253 170439095 /nfs/dbraw/zinc/43/90/95/170439095.db2.gz BYJWDGXGDZTRFX-UHFFFAOYSA-N 0 0 299.761 4.426 10 0 CIAERN Cc1cs/c(=N\c2cccnc2)n1CC1CCCCC1 ZINC000013140400 170536020 /nfs/dbraw/zinc/53/60/20/170536020.db2.gz RIXLRVOYIDGBIW-VLGSPTGOSA-N 0 0 287.432 4.066 10 0 CIAERN Cc1ccc(C(=O)NCC2(c3cccs3)CCCC2)cc1 ZINC000013803220 170595626 /nfs/dbraw/zinc/59/56/26/170595626.db2.gz WCEUBWDDIOZJRL-UHFFFAOYSA-N 0 0 299.439 4.298 10 0 CIAERN S=C(Nc1ccccn1)Nc1cc(Cl)ccc1Cl ZINC000013836993 170603478 /nfs/dbraw/zinc/60/34/78/170603478.db2.gz WUVNJDXRHTWIFL-UHFFFAOYSA-N 0 0 298.198 4.197 10 0 CIAERN Cc1ccc(OC(=O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000014780183 170645206 /nfs/dbraw/zinc/64/52/06/170645206.db2.gz ZUMAKEFTGPYPBX-UHFFFAOYSA-N 0 0 284.355 4.310 10 0 CIAERN Cc1cc(=O)n(Cc2cccc(Cl)c2)c2ccccc12 ZINC000015885400 170681299 /nfs/dbraw/zinc/68/12/99/170681299.db2.gz XVVATXFIRDRSBL-UHFFFAOYSA-N 0 0 283.758 4.012 10 0 CIAERN CCc1ccc(C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000016872899 170713652 /nfs/dbraw/zinc/71/36/52/170713652.db2.gz QDRCDOMLTWZLLW-DLBZAZTESA-N 0 0 250.341 4.235 10 0 CIAERN COc1ccc(Cl)cc1NC1CCCCCC1 ZINC000019232246 170757736 /nfs/dbraw/zinc/75/77/36/170757736.db2.gz AOKYBXHUSHQXKO-UHFFFAOYSA-N 0 0 253.773 4.483 10 0 CIAERN CC(C)c1ccc(-c2noc(-c3ccc(N)cc3)n2)cc1 ZINC000019771973 170856772 /nfs/dbraw/zinc/85/67/72/170856772.db2.gz KLNPGAASDSACBS-UHFFFAOYSA-N 0 0 279.343 4.109 10 0 CIAERN Nc1cc(C(F)(F)F)ccc1-n1ccc2ccccc21 ZINC000019772529 170857614 /nfs/dbraw/zinc/85/76/14/170857614.db2.gz YVKJZZRLGHYLBN-UHFFFAOYSA-N 0 0 276.261 4.232 10 0 CIAERN CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000019803808 170873151 /nfs/dbraw/zinc/87/31/51/170873151.db2.gz KDUKYLPNPGHUJH-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN CCCOc1ccccc1Oc1ccc(C(C)=O)cc1 ZINC000019871338 170901804 /nfs/dbraw/zinc/90/18/04/170901804.db2.gz HDDCKSNFPZOQTP-UHFFFAOYSA-N 0 0 270.328 4.470 10 0 CIAERN CC(=O)c1c(F)cccc1O[C@H]1CCCc2ccccc21 ZINC000019871377 170901885 /nfs/dbraw/zinc/90/18/85/170901885.db2.gz FQDHWAMCKZXARZ-INIZCTEOSA-N 0 0 284.330 4.485 10 0 CIAERN CC(=O)c1ccc(Oc2ccccc2Cl)c(F)c1 ZINC000019871490 170901981 /nfs/dbraw/zinc/90/19/81/170901981.db2.gz SYBKFAQYJXVGCS-UHFFFAOYSA-N 0 0 264.683 4.474 10 0 CIAERN COc1ccc(Sc2ccc(C(C)=O)cc2F)cc1 ZINC000019871769 170902226 /nfs/dbraw/zinc/90/22/26/170902226.db2.gz SSQXSIPVZNDVTP-UHFFFAOYSA-N 0 0 276.332 4.188 10 0 CIAERN CC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cn1 ZINC000019871766 170902228 /nfs/dbraw/zinc/90/22/28/170902228.db2.gz REPZCJBYJYSQLB-UHFFFAOYSA-N 0 0 297.301 4.454 10 0 CIAERN CCOc1ccc(N[C@@H]2CCOc3ccccc32)cc1 ZINC000019902404 170914465 /nfs/dbraw/zinc/91/44/65/170914465.db2.gz FPGRYWJZKPGVQK-MRXNPFEDSA-N 0 0 269.344 4.021 10 0 CIAERN C[C@@H](Nc1ccc(Br)cc1F)c1cccnc1 ZINC000019907992 170919927 /nfs/dbraw/zinc/91/99/27/170919927.db2.gz FDBXNXRAJJVNPG-SECBINFHSA-N 0 0 295.155 4.156 10 0 CIAERN C[C@@H](Nc1cc(F)ccc1F)c1c(F)cccc1F ZINC000019907818 170920041 /nfs/dbraw/zinc/92/00/41/170920041.db2.gz SOQURSDQCVKDQW-MRVPVSSYSA-N 0 0 269.241 4.416 10 0 CIAERN CC(=O)Nc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000019917357 170926291 /nfs/dbraw/zinc/92/62/91/170926291.db2.gz IOMPWKNOBRMNCR-WBMJQRKESA-N 0 0 274.408 4.272 10 0 CIAERN C[C@H](Nc1ccccc1Br)c1ccc(O)cc1 ZINC000019922603 170929650 /nfs/dbraw/zinc/92/96/50/170929650.db2.gz YOTCAWYJMYZJPX-JTQLQIEISA-N 0 0 292.176 4.328 10 0 CIAERN COc1cc([C@H](C)Nc2ccccc2Cl)ccc1O ZINC000019942696 170934857 /nfs/dbraw/zinc/93/48/57/170934857.db2.gz CCOSZRXZCQQFJT-JTQLQIEISA-N 0 0 277.751 4.227 10 0 CIAERN Cc1ccc(N[C@@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC000019964467 170946083 /nfs/dbraw/zinc/94/60/83/170946083.db2.gz IIUIEIINGYUUEI-AWEZNQCLSA-N 0 0 283.371 4.157 10 0 CIAERN Nc1cc(C(F)(F)F)ccc1N1CCCCCCC1 ZINC000019983306 170960112 /nfs/dbraw/zinc/96/01/12/170960112.db2.gz OHUQDBMZXJUPPF-UHFFFAOYSA-N 0 0 272.314 4.058 10 0 CIAERN Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1Cl ZINC000019985365 170960824 /nfs/dbraw/zinc/96/08/24/170960824.db2.gz BQVKQBHDQWWDPL-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN N=C1c2ccccc2CN1c1ccccc1C(F)(F)F ZINC000020000106 170965660 /nfs/dbraw/zinc/96/56/60/170965660.db2.gz ZBSHQTVGUXVFCD-UHFFFAOYSA-N 0 0 276.261 4.051 10 0 CIAERN CC(C)[C@@H](C)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000020013978 170969384 /nfs/dbraw/zinc/96/93/84/170969384.db2.gz FAOGSJWOWZERLZ-MRVPVSSYSA-N 0 0 263.715 4.398 10 0 CIAERN COc1c(C)cnc(CNc2ccccc2C(C)C)c1C ZINC000020044570 170977240 /nfs/dbraw/zinc/97/72/40/170977240.db2.gz UJJMOIXEOXVWNX-UHFFFAOYSA-N 0 0 284.403 4.443 10 0 CIAERN C[C@@H](Nc1cccnc1)c1ccc(F)c(Cl)c1 ZINC000020078380 170985297 /nfs/dbraw/zinc/98/52/97/170985297.db2.gz KVWUUTIPYKLKQI-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN Cc1ccc(Oc2ccccc2C=O)c(Br)c1 ZINC000020079661 170985812 /nfs/dbraw/zinc/98/58/12/170985812.db2.gz YKOMSQPZDQBOOP-UHFFFAOYSA-N 0 0 291.144 4.362 10 0 CIAERN CCC(=O)Nc1cccc(N[C@H]2CCCC[C@H]2C)c1 ZINC000020131849 171020511 /nfs/dbraw/zinc/02/05/11/171020511.db2.gz SGQHLFOAWRDMNH-DOMZBBRYSA-N 0 0 260.381 4.026 10 0 CIAERN C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(O)cc1 ZINC000020132433 171020818 /nfs/dbraw/zinc/02/08/18/171020818.db2.gz KIBGJBQXCNTOIW-LLVKDONJSA-N 0 0 252.317 4.047 10 0 CIAERN COc1ccc([C@@H](C)Nc2ccc3[nH]ccc3c2)cc1 ZINC000020132535 171020823 /nfs/dbraw/zinc/02/08/23/171020823.db2.gz WKRLHUDHRSOKCT-GFCCVEGCSA-N 0 0 266.344 4.350 10 0 CIAERN Clc1ccccc1CNCc1nc2ccccc2s1 ZINC000020135892 171023030 /nfs/dbraw/zinc/02/30/30/171023030.db2.gz DMGMCYODDDFGQZ-UHFFFAOYSA-N 0 0 288.803 4.240 10 0 CIAERN Cc1cc(-c2nc(C(C)(C)C)no2)c2cccc(C)c2n1 ZINC000020135409 171023354 /nfs/dbraw/zinc/02/33/54/171023354.db2.gz XHXCWEKHLFCFOU-UHFFFAOYSA-N 0 0 281.359 4.199 10 0 CIAERN Cc1nc([C@@H](C)N[C@@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148090 171036378 /nfs/dbraw/zinc/03/63/78/171036378.db2.gz SNWGDSZBLZTDRW-VHSXEESVSA-N 0 0 278.396 4.311 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1cc2ccccc2o1 ZINC000020193993 171059362 /nfs/dbraw/zinc/05/93/62/171059362.db2.gz PYTZKANHKKMFDN-NSHDSACASA-N 0 0 253.301 4.312 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1ccccc1Br ZINC000020193544 171059527 /nfs/dbraw/zinc/05/95/27/171059527.db2.gz LUAKTZIBFDPBFG-JTQLQIEISA-N 0 0 292.176 4.328 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1ccc(Br)cc1 ZINC000020193354 171059579 /nfs/dbraw/zinc/05/95/79/171059579.db2.gz SKVJXEIWAHGPLV-SNVBAGLBSA-N 0 0 292.176 4.328 10 0 CIAERN Fc1ccc(NCc2ccc3ccccc3n2)cc1F ZINC000020246254 171099031 /nfs/dbraw/zinc/09/90/31/171099031.db2.gz CJGUFNXLCYTWPW-UHFFFAOYSA-N 0 0 270.282 4.125 10 0 CIAERN CC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000020246593 171100174 /nfs/dbraw/zinc/10/01/74/171100174.db2.gz RXLUBEHKLXRCRA-UHFFFAOYSA-N 0 0 277.323 4.016 10 0 CIAERN Cc1nc(CNc2cc(Cl)ccc2Cl)cs1 ZINC000020252825 171105047 /nfs/dbraw/zinc/10/50/47/171105047.db2.gz MJUVFUNIKDMHKX-UHFFFAOYSA-N 0 0 273.188 4.370 10 0 CIAERN CC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020267825 171124125 /nfs/dbraw/zinc/12/41/25/171124125.db2.gz DXGSXTVXDBHNLM-UHFFFAOYSA-N 0 0 254.207 4.168 10 0 CIAERN Cc1ccc(COc2c(C)cc(C=O)cc2C)cc1 ZINC000020297948 171138066 /nfs/dbraw/zinc/13/80/66/171138066.db2.gz MMPPXIPSPGHBJJ-UHFFFAOYSA-N 0 0 254.329 4.003 10 0 CIAERN CCOC(=O)Cc1nc(-c2ccc3ccccc3c2)cs1 ZINC000020311620 171144693 /nfs/dbraw/zinc/14/46/93/171144693.db2.gz BYFBKJRNAHZKHL-UHFFFAOYSA-N 0 0 297.379 4.069 10 0 CIAERN CCCCCCNc1cccc(C(=O)N(CC)CC)c1 ZINC000020360461 171158881 /nfs/dbraw/zinc/15/88/81/171158881.db2.gz LHPASSODLQYPJV-UHFFFAOYSA-N 0 0 276.424 4.161 10 0 CIAERN Fc1ccc(CNc2c(F)cccc2F)c(Cl)c1 ZINC000020361221 171159708 /nfs/dbraw/zinc/15/97/08/171159708.db2.gz SPAVAIOEMRWGFJ-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN C[C@@H](Nc1ccc(N)nc1)c1ccc(Cl)cc1Cl ZINC000020381384 171172648 /nfs/dbraw/zinc/17/26/48/171172648.db2.gz RCIZZJCXXFWAKR-MRVPVSSYSA-N 0 0 282.174 4.144 10 0 CIAERN C[C@H](Nc1ncccc1N)c1ccc(Cl)cc1Cl ZINC000020381413 171172809 /nfs/dbraw/zinc/17/28/09/171172809.db2.gz SUYRTTSSYYTPNS-QMMMGPOBSA-N 0 0 282.174 4.144 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2ccc(Br)cc2N)[C@@H]1C ZINC000020383399 171174119 /nfs/dbraw/zinc/17/41/19/171174119.db2.gz MRFGTTPPCFHXFG-GIPNMCIBSA-N 0 0 297.240 4.268 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1N ZINC000020383637 171174272 /nfs/dbraw/zinc/17/42/72/171174272.db2.gz QCQSMJADTLEKPU-SKDRFNHKSA-N 0 0 283.213 4.022 10 0 CIAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1 ZINC000020429897 171194943 /nfs/dbraw/zinc/19/49/43/171194943.db2.gz QJYSRYQFXULHGP-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1ccc(F)cc1Br ZINC000020430265 171194989 /nfs/dbraw/zinc/19/49/89/171194989.db2.gz JEMDASJMOXVGBR-RKDXNWHRSA-N 0 0 274.177 4.435 10 0 CIAERN Fc1ccc(NCc2c(F)cccc2F)cc1Cl ZINC000020429960 171195136 /nfs/dbraw/zinc/19/51/36/171195136.db2.gz ZARIDNNYNADVLU-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN CC[C@H]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020432998 171197852 /nfs/dbraw/zinc/19/78/52/171197852.db2.gz GFGPIVVJYZBOSL-JTQLQIEISA-N 0 0 259.374 4.031 10 0 CIAERN Oc1cccc(-c2nc3c(s2)CCCCCC3)c1 ZINC000020432991 171197939 /nfs/dbraw/zinc/19/79/39/171197939.db2.gz IOFDQDRMNCSUBJ-UHFFFAOYSA-N 0 0 259.374 4.175 10 0 CIAERN Cc1ccc(-c2csc(-c3cccc(O)c3)n2)o1 ZINC000020432993 171198103 /nfs/dbraw/zinc/19/81/03/171198103.db2.gz LBNONHAMDCFTLB-UHFFFAOYSA-N 0 0 257.314 4.084 10 0 CIAERN CC[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1CO ZINC000020435194 171200794 /nfs/dbraw/zinc/20/07/94/171200794.db2.gz GQKDFKFPEUCOSI-SMDDNHRTSA-N 0 0 268.784 4.180 10 0 CIAERN OCc1c(Cl)cccc1Oc1ccccc1Cl ZINC000020435356 171201374 /nfs/dbraw/zinc/20/13/74/171201374.db2.gz SZRAPPCJATYNCS-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN OCc1c(Cl)cccc1Oc1cccc(Cl)c1 ZINC000020435399 171201408 /nfs/dbraw/zinc/20/14/08/171201408.db2.gz QMFSUGAZQTZIMB-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN CC(C)(C)c1ccccc1Oc1ccccc1CO ZINC000020435287 171201438 /nfs/dbraw/zinc/20/14/38/171201438.db2.gz XHGRTSAVNOPGSL-UHFFFAOYSA-N 0 0 256.345 4.269 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1ccc(CO)cc1 ZINC000020435443 171201446 /nfs/dbraw/zinc/20/14/46/171201446.db2.gz XMZNGBPXTFOATR-ZDUSSCGKSA-N 0 0 256.345 4.485 10 0 CIAERN Cc1cc([C@H](C)Nc2cc(F)cc(F)c2)c(C)o1 ZINC000020438379 171203591 /nfs/dbraw/zinc/20/35/91/171203591.db2.gz WBPRTYSJGXMURF-VIFPVBQESA-N 0 0 251.276 4.348 10 0 CIAERN Fc1ccc(CNc2cccc(Cl)c2F)c(F)c1 ZINC000020472478 171215990 /nfs/dbraw/zinc/21/59/90/171215990.db2.gz AAFVQZRFJFSHSV-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN CCCC[C@H](CC)C(=O)Nc1cc(Cl)ccc1N ZINC000020481681 171222195 /nfs/dbraw/zinc/22/21/95/171222195.db2.gz KFVLBRSGJRSCKR-JTQLQIEISA-N 0 0 268.788 4.077 10 0 CIAERN CC(C)CCCOc1ccc(C(F)(F)F)cc1N ZINC000020507183 171228802 /nfs/dbraw/zinc/22/88/02/171228802.db2.gz XUZDGNDECSRBHD-UHFFFAOYSA-N 0 0 261.287 4.103 10 0 CIAERN CC(C)CCCOc1ccc(N)c(C(F)(F)F)c1 ZINC000020507178 171228827 /nfs/dbraw/zinc/22/88/27/171228827.db2.gz KPYWDTGKXJORID-UHFFFAOYSA-N 0 0 261.287 4.103 10 0 CIAERN C[C@H]1C[C@H](Oc2ccc(C=O)cc2F)CC(C)(C)C1 ZINC000020517144 171232829 /nfs/dbraw/zinc/23/28/29/171232829.db2.gz FMQGJHAQKHEOEJ-AAEUAGOBSA-N 0 0 264.340 4.232 10 0 CIAERN C/C=C/c1ccccc1OCc1ccc(Cl)nc1 ZINC000020518986 171233206 /nfs/dbraw/zinc/23/32/06/171233206.db2.gz IINQMAQWIMRASL-GORDUTHDSA-N 0 0 259.736 4.347 10 0 CIAERN CC(=O)c1ccc(OC[C@H]2CC=CC[C@H]2C)c(F)c1 ZINC000020519279 171233555 /nfs/dbraw/zinc/23/35/55/171233555.db2.gz UZANHSLYYAXQGD-BXUZGUMPSA-N 0 0 262.324 4.009 10 0 CIAERN CC(=O)c1c(F)cccc1OC[C@H]1CC=CC[C@H]1C ZINC000020519261 171233675 /nfs/dbraw/zinc/23/36/75/171233675.db2.gz IRXZGASMLORMHH-DGCLKSJQSA-N 0 0 262.324 4.009 10 0 CIAERN Nc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000020521688 171235319 /nfs/dbraw/zinc/23/53/19/171235319.db2.gz AGTVUQSNIFHZGP-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000020524240 171237229 /nfs/dbraw/zinc/23/72/29/171237229.db2.gz AUYYEOBDNFKELM-SNVBAGLBSA-N 0 0 275.314 4.321 10 0 CIAERN COC(C)(C)C[C@@H](C)Nc1cc(Cl)ccc1C ZINC000020524138 171237385 /nfs/dbraw/zinc/23/73/85/171237385.db2.gz VXVRGUFHYDLDTQ-LLVKDONJSA-N 0 0 255.789 4.264 10 0 CIAERN C[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000020538303 171241712 /nfs/dbraw/zinc/24/17/12/171241712.db2.gz NGZVGJDKOHUSEO-SNVBAGLBSA-N 0 0 292.741 4.362 10 0 CIAERN C[C@@H](CCc1ccccc1)Nc1cc(F)ccc1F ZINC000020545056 171242887 /nfs/dbraw/zinc/24/28/87/171242887.db2.gz VHBHMVJMWJARAF-LBPRGKRZSA-N 0 0 261.315 4.398 10 0 CIAERN C[C@@H](CNc1cccc2ncccc21)c1ccccc1 ZINC000020545716 171243692 /nfs/dbraw/zinc/24/36/92/171243692.db2.gz WLEALTNQUJSQFB-AWEZNQCLSA-N 0 0 262.356 4.450 10 0 CIAERN CCC1CCC(Nc2cc(OC)ccc2OC)CC1 ZINC000020547220 171244689 /nfs/dbraw/zinc/24/46/89/171244689.db2.gz RRWURGYZQKPAFF-UHFFFAOYSA-N 0 0 263.381 4.085 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccccc1C(N)=S ZINC000020549303 171246425 /nfs/dbraw/zinc/24/64/25/171246425.db2.gz WSIHMLSEXANJND-UHFFFAOYSA-N 0 0 277.776 4.075 10 0 CIAERN CCCCC1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000020550238 171246608 /nfs/dbraw/zinc/24/66/08/171246608.db2.gz OZYAXGAQKFESQP-UHFFFAOYSA-N 0 0 275.392 4.327 10 0 CIAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc2c(c1)OCCCO2 ZINC000020552410 171247809 /nfs/dbraw/zinc/24/78/09/171247809.db2.gz XIZGKSAXQCKJDC-ZIAGYGMSSA-N 0 0 277.408 4.475 10 0 CIAERN O=Cc1c(Cl)cccc1Oc1ccc(F)cc1 ZINC000020553096 171248662 /nfs/dbraw/zinc/24/86/62/171248662.db2.gz ZLIKCYOCOGZKKU-UHFFFAOYSA-N 0 0 250.656 4.084 10 0 CIAERN Fc1ccc(CNc2ccc(F)c(F)c2)c(Cl)c1 ZINC000020555471 171249761 /nfs/dbraw/zinc/24/97/61/171249761.db2.gz LBTBFGIUNGTJNV-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN CC1(C)Cc2cccc(Oc3ccc(N)cc3Cl)c2O1 ZINC000020556408 171250057 /nfs/dbraw/zinc/25/00/57/171250057.db2.gz KXOLGDVYYIQCIO-UHFFFAOYSA-N 0 0 289.762 4.428 10 0 CIAERN Nc1cccc(Cl)c1O[C@@H]1CCCc2ccccc21 ZINC000020556671 171250294 /nfs/dbraw/zinc/25/02/94/171250294.db2.gz QEJAVGVCAMAUQB-OAHLLOKOSA-N 0 0 273.763 4.379 10 0 CIAERN CCc1c2ccccc2oc1[C@@H](C)NCC(F)(F)F ZINC000020558625 171250864 /nfs/dbraw/zinc/25/08/64/171250864.db2.gz KTODIGSJILOESC-SECBINFHSA-N 0 0 271.282 4.208 10 0 CIAERN COc1ccc(CNc2cc(Cl)ccc2C)c(OC)c1 ZINC000020559900 171251464 /nfs/dbraw/zinc/25/14/64/171251464.db2.gz YGFYBHWJGMOBFY-UHFFFAOYSA-N 0 0 291.778 4.278 10 0 CIAERN Cc1cc(N[C@@H](C)C(C)C)ccc1Br ZINC000020562839 171252602 /nfs/dbraw/zinc/25/26/02/171252602.db2.gz HVDOZLBZWYLURS-JTQLQIEISA-N 0 0 256.187 4.214 10 0 CIAERN CCc1ccc([C@H](C)Nc2ccc(OC)cc2)cc1 ZINC000020566853 171254858 /nfs/dbraw/zinc/25/48/58/171254858.db2.gz VLVPUMCPWXOIMH-ZDUSSCGKSA-N 0 0 255.361 4.431 10 0 CIAERN FC(F)(F)c1ccc(Cl)c(-n2cc[nH]c2=S)c1 ZINC000020581032 171257208 /nfs/dbraw/zinc/25/72/08/171257208.db2.gz CENMISUATQRSQO-UHFFFAOYSA-N 0 0 278.686 4.207 10 0 CIAERN Nc1cc(F)ccc1Nc1cccc2ccccc21 ZINC000020584695 171258057 /nfs/dbraw/zinc/25/80/57/171258057.db2.gz YFRYDQSBSXGFHN-UHFFFAOYSA-N 0 0 252.292 4.305 10 0 CIAERN Cc1ccc(Nc2ccc(F)cc2N)cc1Cl ZINC000020584676 171258172 /nfs/dbraw/zinc/25/81/72/171258172.db2.gz OSHYWGMCHXTTGL-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1cc(F)ccc1Nc1cc(Cl)ccc1Cl ZINC000020584636 171258247 /nfs/dbraw/zinc/25/82/47/171258247.db2.gz GTWMBFUKVVPHLJ-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccc(F)c(F)c1F ZINC000020585183 171258807 /nfs/dbraw/zinc/25/88/07/171258807.db2.gz WAOOVMIPCLEDPP-UHFFFAOYSA-N 0 0 272.657 4.083 10 0 CIAERN Nc1cc(C(F)(F)F)ccc1Nc1ccccc1F ZINC000020585581 171258852 /nfs/dbraw/zinc/25/88/52/171258852.db2.gz SFHNVBBUMDCBSM-UHFFFAOYSA-N 0 0 270.229 4.170 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccccc1Br ZINC000020585538 171258874 /nfs/dbraw/zinc/25/88/74/171258874.db2.gz NBAIIEUAVVLQIM-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccc(F)c(Cl)c1 ZINC000020585837 171259029 /nfs/dbraw/zinc/25/90/29/171259029.db2.gz ZVVCWNPFIFSICZ-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccc(F)c(Cl)c1 ZINC000020585842 171259113 /nfs/dbraw/zinc/25/91/13/171259113.db2.gz UPCCUXNSXDGFNU-UHFFFAOYSA-N 0 0 271.122 4.458 10 0 CIAERN Nc1ccc(Nc2ccccc2Br)c(Cl)c1 ZINC000020585542 171259130 /nfs/dbraw/zinc/25/91/30/171259130.db2.gz HGDPMHTUWWHVOQ-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN Nc1ccc(Nc2ccc(F)cc2Br)c(F)c1 ZINC000020585843 171259136 /nfs/dbraw/zinc/25/91/36/171259136.db2.gz DERDHGJUZRISAL-UHFFFAOYSA-N 0 0 299.118 4.053 10 0 CIAERN CC(C)c1n[nH]c(=S)n1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000020590424 171260766 /nfs/dbraw/zinc/26/07/66/171260766.db2.gz ITXJHCGNCJCDAI-GARJFASQSA-N 0 0 253.415 4.061 10 0 CIAERN Cc1ccc([C@@H](N)c2cc3cc(Cl)ccc3o2)o1 ZINC000020592846 171262463 /nfs/dbraw/zinc/26/24/63/171262463.db2.gz UKUOQDQZOGMCMY-CQSZACIVSA-N 0 0 261.708 4.036 10 0 CIAERN Cc1ccc(CNc2ccc(F)cc2Cl)s1 ZINC000020594753 171263652 /nfs/dbraw/zinc/26/36/52/171263652.db2.gz LWTHEOFZZKWDGG-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN C[C@H](Nc1ccc(F)cc1Cl)c1cccnc1 ZINC000020595095 171264026 /nfs/dbraw/zinc/26/40/26/171264026.db2.gz OQMJSXLRNFKZII-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN Fc1ccc(CNc2ccc(F)cc2Cl)c(F)c1 ZINC000020595261 171264122 /nfs/dbraw/zinc/26/41/22/171264122.db2.gz MBAWQUMYGMJJMW-UHFFFAOYSA-N 0 0 271.669 4.369 10 0 CIAERN Fc1ccc(-n2c3ccccc3[nH]c2=S)c(Cl)c1 ZINC000020595397 171264131 /nfs/dbraw/zinc/26/41/31/171264131.db2.gz UBGVGXXPBQXYEV-UHFFFAOYSA-N 0 0 278.739 4.481 10 0 CIAERN Cc1ccc(F)cc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000021008507 171285404 /nfs/dbraw/zinc/28/54/04/171285404.db2.gz GXDRWZNJKZGPGR-BXUZGUMPSA-N 0 0 259.324 4.463 10 0 CIAERN Cc1ccc(F)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000021008508 171285550 /nfs/dbraw/zinc/28/55/50/171285550.db2.gz GXDRWZNJKZGPGR-SMDDNHRTSA-N 0 0 259.324 4.463 10 0 CIAERN Fc1cc(Br)ccc1NCCc1ccccc1 ZINC000021012253 171287494 /nfs/dbraw/zinc/28/74/94/171287494.db2.gz YCMUYDPORAUTBO-UHFFFAOYSA-N 0 0 294.167 4.243 10 0 CIAERN CC1CCC(Nc2ncc(Cl)cc2Cl)CC1 ZINC000021012707 171288141 /nfs/dbraw/zinc/28/81/41/171288141.db2.gz JFALQSPNGRNPTC-UHFFFAOYSA-N 0 0 259.180 4.379 10 0 CIAERN COc1ccc(OC)c(CNc2ccc(Cl)cc2C)c1 ZINC000021016132 171289750 /nfs/dbraw/zinc/28/97/50/171289750.db2.gz URQDZEBSLINFPK-UHFFFAOYSA-N 0 0 291.778 4.278 10 0 CIAERN COc1cc(NC2CCCCCC2)c(OC)cc1Cl ZINC000021019240 171290182 /nfs/dbraw/zinc/29/01/82/171290182.db2.gz WAKNYFKCHGSFML-UHFFFAOYSA-N 0 0 283.799 4.492 10 0 CIAERN COc1ccc(NCCCc2ccccc2)cc1Cl ZINC000021030973 171291491 /nfs/dbraw/zinc/29/14/91/171291491.db2.gz LGOHXWLUQDMQBF-UHFFFAOYSA-N 0 0 275.779 4.393 10 0 CIAERN CC(=O)c1cc(F)ccc1Oc1ccc(C)cc1C ZINC000021032050 171291821 /nfs/dbraw/zinc/29/18/21/171291821.db2.gz SBRXFCXVOKDGNZ-UHFFFAOYSA-N 0 0 258.292 4.437 10 0 CIAERN COc1ccc(N[C@@H]2CCC[C@H](C)C2)cc1Cl ZINC000021042762 171293763 /nfs/dbraw/zinc/29/37/63/171293763.db2.gz UCVZSSPHGQOFMU-WDEREUQCSA-N 0 0 253.773 4.339 10 0 CIAERN COc1ccc(N[C@H]2CCC[C@H](C)C2)cc1Cl ZINC000021042765 171293813 /nfs/dbraw/zinc/29/38/13/171293813.db2.gz UCVZSSPHGQOFMU-QWRGUYRKSA-N 0 0 253.773 4.339 10 0 CIAERN CC(C)c1ccccc1NC(=O)Nc1cccc(N)c1 ZINC000021051356 171295047 /nfs/dbraw/zinc/29/50/47/171295047.db2.gz LOPGGBGEZROLFT-UHFFFAOYSA-N 0 0 269.348 4.036 10 0 CIAERN CCC[C@@H](C)CNc1ccc(OCC)c(OCC)c1 ZINC000021051996 171295153 /nfs/dbraw/zinc/29/51/53/171295153.db2.gz ZLBHINYLQYYXHC-CYBMUJFWSA-N 0 0 265.397 4.332 10 0 CIAERN Cc1cc(C=O)c(C)n1CCc1ccc(Cl)cc1Cl ZINC000021055564 171295679 /nfs/dbraw/zinc/29/56/79/171295679.db2.gz ABGOLAMIQSWPSX-UHFFFAOYSA-N 0 0 296.197 4.467 10 0 CIAERN N=C1c2ccccc2CN1c1ccccc1SC(F)F ZINC000021060210 171296986 /nfs/dbraw/zinc/29/69/86/171296986.db2.gz BHAXJHXVBFBKKA-UHFFFAOYSA-N 0 0 290.338 4.347 10 0 CIAERN COc1cccc(Sc2ccc(N)c(C(F)(F)F)c2)c1 ZINC000021060841 171297372 /nfs/dbraw/zinc/29/73/72/171297372.db2.gz OKMKAFSQCAUVSL-UHFFFAOYSA-N 0 0 299.317 4.447 10 0 CIAERN Cc1ccc(/C=C/c2nc3ccc(Cl)cc3c(=O)o2)cc1 ZINC000021127905 171298277 /nfs/dbraw/zinc/29/82/77/171298277.db2.gz IWFACMZDWKLUPE-RMKNXTFCSA-N 0 0 297.741 4.320 10 0 CIAERN Cc1ccc(-c2[nH]nc3c2cnc2ccc(F)cc32)cc1 ZINC000021365463 171303828 /nfs/dbraw/zinc/30/38/28/171303828.db2.gz XACVBDDWLQHPEK-UHFFFAOYSA-N 0 0 277.302 4.226 10 0 CIAERN Nc1cc(Cl)ccc1SCCc1ccccc1 ZINC000021505621 171307728 /nfs/dbraw/zinc/30/77/28/171307728.db2.gz HEWPKWLTPUZJPU-UHFFFAOYSA-N 0 0 263.793 4.257 10 0 CIAERN Cc1cc(Br)ccc1NCCc1ccccc1 ZINC000021509181 171309098 /nfs/dbraw/zinc/30/90/98/171309098.db2.gz QTPYAHPYXIBVCF-UHFFFAOYSA-N 0 0 290.204 4.412 10 0 CIAERN C[C@H]1CCCC[C@@H]1Nc1cccc(Br)c1 ZINC000021509155 171309216 /nfs/dbraw/zinc/30/92/16/171309216.db2.gz VCJWSAGQSWIUSN-GWCFXTLKSA-N 0 0 268.198 4.440 10 0 CIAERN C[C@@H](CCc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000021510456 171310291 /nfs/dbraw/zinc/31/02/91/171310291.db2.gz MWNCQSQWBKGVJG-LBPRGKRZSA-N 0 0 261.315 4.398 10 0 CIAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(F)cc1N ZINC000021513623 171311285 /nfs/dbraw/zinc/31/12/85/171311285.db2.gz FABLSEMNPZNULT-RBOXIYTFSA-N 0 0 265.372 4.248 10 0 CIAERN CCCCOc1ccc(-c2nc3cc(N)ccc3o2)cc1 ZINC000021512963 171311517 /nfs/dbraw/zinc/31/15/17/171311517.db2.gz FNIFXIXUTDBIFN-UHFFFAOYSA-N 0 0 282.343 4.256 10 0 CIAERN Brc1ccc(NC2CCCCCCC2)nc1 ZINC000021518009 171314271 /nfs/dbraw/zinc/31/42/71/171314271.db2.gz ZNIMEOMBSWRKOB-UHFFFAOYSA-N 0 0 283.213 4.369 10 0 CIAERN C[C@@H](Nc1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000021518920 171314851 /nfs/dbraw/zinc/31/48/51/171314851.db2.gz SLYGLLXEWOWODC-GFCCVEGCSA-N 0 0 255.336 4.488 10 0 CIAERN COc1ccc(C)cc1NC[C@@H](C)c1ccccc1 ZINC000021518790 171314968 /nfs/dbraw/zinc/31/49/68/171314968.db2.gz MLOLPRAGWGNQLH-CQSZACIVSA-N 0 0 255.361 4.219 10 0 CIAERN Brc1cccc(NCC2CCCCC2)c1 ZINC000021520582 171316163 /nfs/dbraw/zinc/31/61/63/171316163.db2.gz DPRVHOZEZMYRJN-UHFFFAOYSA-N 0 0 268.198 4.441 10 0 CIAERN COc1cc(NCCc2ccccc2)c(OC)cc1Cl ZINC000021799101 171325434 /nfs/dbraw/zinc/32/54/34/171325434.db2.gz MCFKXIAJBQYLQJ-UHFFFAOYSA-N 0 0 291.778 4.012 10 0 CIAERN FC1(F)Oc2ccc(NCCCc3ccccc3)cc2O1 ZINC000021803924 171326723 /nfs/dbraw/zinc/32/67/23/171326723.db2.gz SQTXNKAVDKWETE-UHFFFAOYSA-N 0 0 291.297 4.053 10 0 CIAERN CC(C)N(Cc1ccccc1)c1ccc(Cl)cc1N ZINC000021804473 171326817 /nfs/dbraw/zinc/32/68/17/171326817.db2.gz FSNDJLDTSYSLKM-UHFFFAOYSA-N 0 0 274.795 4.337 10 0 CIAERN COc1cc(OC)c(N[C@H]2CCCC[C@H]2C)cc1Cl ZINC000021806865 171327867 /nfs/dbraw/zinc/32/78/67/171327867.db2.gz BHDVLWAVJWOKTO-PWSUYJOCSA-N 0 0 283.799 4.348 10 0 CIAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(OC)cc1OC ZINC000021811563 171329150 /nfs/dbraw/zinc/32/91/50/171329150.db2.gz ONLPUWNCZDTHPJ-QWHCGFSZSA-N 0 0 265.397 4.331 10 0 CIAERN CCOc1ccc(NC[C@H](C)c2ccccc2)cc1 ZINC000021814432 171331788 /nfs/dbraw/zinc/33/17/88/171331788.db2.gz NAEUAQVINPDCMF-AWEZNQCLSA-N 0 0 255.361 4.301 10 0 CIAERN CC(C)c1ccc([C@@H](N)C(F)(F)F)c(C(C)C)c1 ZINC000021816705 171332401 /nfs/dbraw/zinc/33/24/01/171332401.db2.gz KBRDBUDFQOBAOZ-CYBMUJFWSA-N 0 0 259.315 4.496 10 0 CIAERN Nc1ccc2[nH]c(-c3cc4c(s3)CCCCC4)nc2c1 ZINC000021819507 171334290 /nfs/dbraw/zinc/33/42/90/171334290.db2.gz XGYQCHBVBCQDEJ-UHFFFAOYSA-N 0 0 283.400 4.143 10 0 CIAERN COc1ccc(-c2ccc(Cl)c(Cl)c2)cc1C=O ZINC000021950595 171339261 /nfs/dbraw/zinc/33/92/61/171339261.db2.gz UOXBEIQZEXCRIA-UHFFFAOYSA-N 0 0 281.138 4.482 10 0 CIAERN O=Cc1cc(-c2ccccc2OC(F)(F)F)ccc1F ZINC000021950508 171339302 /nfs/dbraw/zinc/33/93/02/171339302.db2.gz NFSVYDBYGZLMPD-UHFFFAOYSA-N 0 0 284.208 4.204 10 0 CIAERN O=Cc1ccccc1-c1ccccc1OC(F)(F)F ZINC000021950483 171339579 /nfs/dbraw/zinc/33/95/79/171339579.db2.gz WMQGLNMYTVMGGU-UHFFFAOYSA-N 0 0 266.218 4.065 10 0 CIAERN Nc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000021956103 171341356 /nfs/dbraw/zinc/34/13/56/171341356.db2.gz HJHSBVGUKDRHQO-UHFFFAOYSA-N 0 0 296.157 4.220 10 0 CIAERN COc1cc(OC)cc(-c2ccc(Br)cc2)c1 ZINC000021995032 171347431 /nfs/dbraw/zinc/34/74/31/171347431.db2.gz FYXCWKACNJYWAK-UHFFFAOYSA-N 0 0 293.160 4.133 10 0 CIAERN Nc1ccc(Sc2ccc3ccccc3c2)cc1N ZINC000022010087 171349225 /nfs/dbraw/zinc/34/92/25/171349225.db2.gz BIFIVHNXIONBMB-UHFFFAOYSA-N 0 0 266.369 4.155 10 0 CIAERN CCc1cc2c(cccc2OC)n1Cc1ccccc1 ZINC000022010786 171349276 /nfs/dbraw/zinc/34/92/76/171349276.db2.gz CICJSMPBNORTQN-UHFFFAOYSA-N 0 0 265.356 4.261 10 0 CIAERN Nc1ncc(Cc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000022151171 171358397 /nfs/dbraw/zinc/35/83/97/171358397.db2.gz SBSKJOMNASDNLY-UHFFFAOYSA-N 0 0 293.606 4.276 10 0 CIAERN FC1(F)Oc2ccc(NC3CCCCCC3)cc2O1 ZINC000022151697 171359030 /nfs/dbraw/zinc/35/90/30/171359030.db2.gz QNIGVMHQEAJVHZ-UHFFFAOYSA-N 0 0 269.291 4.143 10 0 CIAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc2c(c1)OCCO2 ZINC000022153505 171360744 /nfs/dbraw/zinc/36/07/44/171360744.db2.gz YYROTGPPUORKLB-CHWSQXEVSA-N 0 0 263.381 4.085 10 0 CIAERN O=Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1F ZINC000022154599 171361326 /nfs/dbraw/zinc/36/13/26/171361326.db2.gz CAZZWEYSGVYEKO-UHFFFAOYSA-N 0 0 268.209 4.324 10 0 CIAERN c1ccc2ncc(-c3ccc4c(c3)CCCN4)cc2c1 ZINC000022201393 171372344 /nfs/dbraw/zinc/37/23/44/171372344.db2.gz UNWDCYWPMZROLK-UHFFFAOYSA-N 0 0 260.340 4.260 10 0 CIAERN COc1c(C(C)(C)C)cc(C(C)=O)cc1C(C)(C)C ZINC000024550117 171437161 /nfs/dbraw/zinc/43/71/61/171437161.db2.gz WPODUFOFFLNNAI-UHFFFAOYSA-N 0 0 262.393 4.493 10 0 CIAERN COc1cc2ccc(Cc3ccccc3)c(O)c2cc1OC ZINC000027196821 171509997 /nfs/dbraw/zinc/50/99/97/171509997.db2.gz LXHXNDJLDMXULY-UHFFFAOYSA-N 0 0 294.350 4.153 10 0 CIAERN CN(C)c1ccc(Cc2ccc3ccccc3c2O)cc1 ZINC000027206670 171510936 /nfs/dbraw/zinc/51/09/36/171510936.db2.gz WAZYOYUZHGPSIQ-UHFFFAOYSA-N 0 0 277.367 4.202 10 0 CIAERN Cc1nc2[nH]ccc2c(Nc2ccc(C(C)C)cc2)n1 ZINC000027901459 171537905 /nfs/dbraw/zinc/53/79/05/171537905.db2.gz SDNZTNWXTZRPDJ-UHFFFAOYSA-N 0 0 266.348 4.133 10 0 CIAERN Cc1nc2[nH]ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000027900860 171537933 /nfs/dbraw/zinc/53/79/33/171537933.db2.gz WIAZEISACPKQTR-UHFFFAOYSA-N 0 0 292.264 4.029 10 0 CIAERN CC(C)c1ccc(C(=O)Cn2cnc3ccccc32)cc1 ZINC000028188375 171549291 /nfs/dbraw/zinc/54/92/91/171549291.db2.gz VFZYICNZQRTMOW-UHFFFAOYSA-N 0 0 278.355 4.043 10 0 CIAERN C[C@H](NC(=O)CC(C)(C)C)c1ccc(-n2cccc2)cc1 ZINC000028304906 171555984 /nfs/dbraw/zinc/55/59/84/171555984.db2.gz BSGINMHLFCGOSB-AWEZNQCLSA-N 0 0 284.403 4.091 10 0 CIAERN Cc1cc(NC(=O)Nc2ccc(C)cc2)n(C2CCCC2)n1 ZINC000028305852 171556188 /nfs/dbraw/zinc/55/61/88/171556188.db2.gz LZSHPHFLVSGUCQ-UHFFFAOYSA-N 0 0 298.390 4.259 10 0 CIAERN COc1ccc2c(c1)C[C@@H](Nc1ccc(Cl)cc1)CC2 ZINC000028865560 171579309 /nfs/dbraw/zinc/57/93/09/171579309.db2.gz HYAAQWZCUVETMF-INIZCTEOSA-N 0 0 287.790 4.318 10 0 CIAERN CC1(C)CCc2cc(C(=O)c3ccccc3)ccc2O1 ZINC000028873297 171579436 /nfs/dbraw/zinc/57/94/36/171579436.db2.gz SWHLZFIQGOQMMU-UHFFFAOYSA-N 0 0 266.340 4.021 10 0 CIAERN CCn1c2ccc(O)cc2c(C)c1-c1cccc(O)c1 ZINC000029229243 171590560 /nfs/dbraw/zinc/59/05/60/171590560.db2.gz OBRLNQLRPYSPPV-UHFFFAOYSA-N 0 0 267.328 4.048 10 0 CIAERN Cc1nc2ccccc2nc1N[C@@H](C)c1ccc(F)cc1 ZINC000029402487 171597628 /nfs/dbraw/zinc/59/76/28/171597628.db2.gz ITBXYNJSRBHCAZ-NSHDSACASA-N 0 0 281.334 4.250 10 0 CIAERN CC(C)(C)n1cc(C=O)c(-c2ccc(Cl)cc2Cl)n1 ZINC000031885678 171652703 /nfs/dbraw/zinc/65/27/03/171652703.db2.gz KCQDLJCOTSNBQO-UHFFFAOYSA-N 0 0 297.185 4.424 10 0 CIAERN C[C@@H](NC(=O)c1ccccc1F)c1ccc(Cl)s1 ZINC000032039095 171688381 /nfs/dbraw/zinc/68/83/81/171688381.db2.gz SMCMIPJZLSYBNU-MRVPVSSYSA-N 0 0 283.755 4.032 10 0 CIAERN Cc1nnc(NCCC2=CCCCC2)c2ccccc12 ZINC000032830707 171754305 /nfs/dbraw/zinc/75/43/05/171754305.db2.gz BTOFACIRVQXARV-UHFFFAOYSA-N 0 0 267.376 4.241 10 0 CIAERN O=C(/C=C\c1ccccc1)Oc1cccc2ccccc21 ZINC000033302089 171779966 /nfs/dbraw/zinc/77/99/66/171779966.db2.gz ILDQBAOOYYSRDQ-YPKPFQOOSA-N 0 0 274.319 4.459 10 0 CIAERN Cc1ccc(/C=C\C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000033316713 171782584 /nfs/dbraw/zinc/78/25/84/171782584.db2.gz HLMJQEGLTINUOF-ALCCZGGFSA-N 0 0 279.698 4.032 10 0 CIAERN COc1ccc(-c2cccc(C(=O)OC(C)(C)C)c2)cc1 ZINC000033615716 171815438 /nfs/dbraw/zinc/81/54/38/171815438.db2.gz RXWOGZNJTHQPMZ-UHFFFAOYSA-N 0 0 284.355 4.318 10 0 CIAERN CC(=S)Nc1cc2ccccc2cc1Br ZINC000033650240 171816842 /nfs/dbraw/zinc/81/68/42/171816842.db2.gz GJYSHKHREVFSIB-UHFFFAOYSA-N 0 0 280.190 4.362 10 0 CIAERN O=C1Nc2ccc(Cl)cc2/C1=C\C=C\c1ccccc1 ZINC000033779063 171820504 /nfs/dbraw/zinc/82/05/04/171820504.db2.gz PFPWXXSBXPHYOZ-CUJDEGIUSA-N 0 0 281.742 4.389 10 0 CIAERN CNc1ncc(Cl)cc1-c1ccc(Cl)cc1 ZINC000034396020 171838601 /nfs/dbraw/zinc/83/86/01/171838601.db2.gz HHSLDIBNUSFZQX-UHFFFAOYSA-N 0 0 253.132 4.097 10 0 CIAERN Cc1ccc(C(=O)Cc2ccc(Cl)cc2)s1 ZINC000034458840 171840294 /nfs/dbraw/zinc/84/02/94/171840294.db2.gz WKALLQXDCPDQAJ-UHFFFAOYSA-N 0 0 250.750 4.135 10 0 CIAERN Cc1c(Cl)ncnc1N[C@H](C)c1ccccc1Cl ZINC000034766748 171866013 /nfs/dbraw/zinc/86/60/13/171866013.db2.gz IOQWBELJDGNHNQ-SECBINFHSA-N 0 0 282.174 4.265 10 0 CIAERN O=C(Cc1ccc2ccccc2n1)c1ccccc1Cl ZINC000034940365 171899847 /nfs/dbraw/zinc/89/98/47/171899847.db2.gz YENPPZMIVKTSSD-UHFFFAOYSA-N 0 0 281.742 4.314 10 0 CIAERN COc1ccc(C(=O)CSC(C)(C)C)cc1Cl ZINC000034993832 171921364 /nfs/dbraw/zinc/92/13/64/171921364.db2.gz JLGJDRVTQGWHGA-UHFFFAOYSA-N 0 0 272.797 4.063 10 0 CIAERN CC[C@H](C)SCC(=O)c1ccc(OC)c(Cl)c1 ZINC000034993767 171921871 /nfs/dbraw/zinc/92/18/71/171921871.db2.gz NQHZEUFJPKVPDM-VIFPVBQESA-N 0 0 272.797 4.063 10 0 CIAERN CCN(c1ccccc1C)[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000035023287 171941389 /nfs/dbraw/zinc/94/13/89/171941389.db2.gz ZDXCTTJHPXVJGX-INIZCTEOSA-N 0 0 281.399 4.401 10 0 CIAERN CC[C@@H](C)c1ccc(NCc2c(C)noc2C)cc1 ZINC000035040929 171946075 /nfs/dbraw/zinc/94/60/75/171946075.db2.gz DQPWYOKFLPFRFE-LLVKDONJSA-N 0 0 258.365 4.417 10 0 CIAERN CC[C@H](C)S[C@H](C)C(=O)c1ccc(F)cc1F ZINC000035046927 171950229 /nfs/dbraw/zinc/95/02/29/171950229.db2.gz WMRZMLHOWXHQLK-DTWKUNHWSA-N 0 0 258.333 4.068 10 0 CIAERN CCc1ccc(O[C@H](C)C(=O)c2ccc(F)cc2F)cc1 ZINC000035046897 171950316 /nfs/dbraw/zinc/95/03/16/171950316.db2.gz RMUFMPVJQQCHCW-LLVKDONJSA-N 0 0 290.309 4.177 10 0 CIAERN COc1ccc(OC)c(CNc2cc(Cl)ccc2F)c1 ZINC000035083769 171970580 /nfs/dbraw/zinc/97/05/80/171970580.db2.gz PVNQYKOLCNNSNI-UHFFFAOYSA-N 0 0 295.741 4.108 10 0 CIAERN Cc1ccc(C)c(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035134570 172000918 /nfs/dbraw/zinc/00/09/18/172000918.db2.gz JJZPRRBQHOCUOA-UHFFFAOYSA-N 0 0 264.328 4.037 10 0 CIAERN COc1ccc(C)cc1CNc1ccc(F)cc1Cl ZINC000035165020 172026079 /nfs/dbraw/zinc/02/60/79/172026079.db2.gz WLHRIAORSWGNDM-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN CCc1ccccc1NCc1cc(C)ccc1OC ZINC000035165121 172026177 /nfs/dbraw/zinc/02/61/77/172026177.db2.gz BXTNOSDKRNXHFY-UHFFFAOYSA-N 0 0 255.361 4.178 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cc1 ZINC000035181733 172035578 /nfs/dbraw/zinc/03/55/78/172035578.db2.gz MVFWORMCUBGPBX-CQSZACIVSA-N 0 0 280.367 4.134 10 0 CIAERN CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182587 172035981 /nfs/dbraw/zinc/03/59/81/172035981.db2.gz CEJDPETULWQKJW-ZJUUUORDSA-N 0 0 256.798 4.443 10 0 CIAERN Cc1ccc(C)c(OCC(=O)c2ccccc2Cl)c1 ZINC000035182246 172036130 /nfs/dbraw/zinc/03/61/30/172036130.db2.gz VAKQQXKKVZZMIG-UHFFFAOYSA-N 0 0 274.747 4.219 10 0 CIAERN CCc1ccc(C(=O)[C@@H](C)S[C@@H](C)CC)cc1 ZINC000035182615 172036150 /nfs/dbraw/zinc/03/61/50/172036150.db2.gz LXOHPNMYAKFJPG-NWDGAFQWSA-N 0 0 250.407 4.352 10 0 CIAERN CCn1c(C)cc(C(=O)COc2cc(C)cc(C)c2)c1C ZINC000035182351 172036190 /nfs/dbraw/zinc/03/61/90/172036190.db2.gz PIWGMPCFBCMOAM-UHFFFAOYSA-N 0 0 285.387 4.003 10 0 CIAERN Cc1ccc(C)c(C(=O)[C@H](C)SCC(C)C)c1 ZINC000035182957 172036654 /nfs/dbraw/zinc/03/66/54/172036654.db2.gz OBBAAMBTBASSSK-ZDUSSCGKSA-N 0 0 250.407 4.264 10 0 CIAERN Cc1ccc(O[C@@H](C)C(=O)c2cccc(Cl)c2)cc1 ZINC000035183644 172036842 /nfs/dbraw/zinc/03/68/42/172036842.db2.gz LSNCOVHDBMMZLR-LBPRGKRZSA-N 0 0 274.747 4.299 10 0 CIAERN C[C@@H](Oc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035183840 172037177 /nfs/dbraw/zinc/03/71/77/172037177.db2.gz GHXXMVBVVOTIKU-SNVBAGLBSA-N 0 0 278.710 4.129 10 0 CIAERN C[C@H](Oc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035183839 172037368 /nfs/dbraw/zinc/03/73/68/172037368.db2.gz GHXXMVBVVOTIKU-JTQLQIEISA-N 0 0 278.710 4.129 10 0 CIAERN O=C(COc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000035183922 172037560 /nfs/dbraw/zinc/03/75/60/172037560.db2.gz HMSWQUDJXXFZMY-UHFFFAOYSA-N 0 0 281.138 4.255 10 0 CIAERN O=C(COc1cccc2ccccc21)c1ccccc1F ZINC000035184145 172037923 /nfs/dbraw/zinc/03/79/23/172037923.db2.gz ZJNNNTSFZBDOBG-UHFFFAOYSA-N 0 0 280.298 4.241 10 0 CIAERN Cc1cccc(O[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1C ZINC000035184341 172038303 /nfs/dbraw/zinc/03/83/03/172038303.db2.gz WKYDQLJAZGNHRH-LBPRGKRZSA-N 0 0 290.309 4.232 10 0 CIAERN COc1ccc(C(C)=O)cc1COc1cc(C)ccc1C ZINC000035185048 172038738 /nfs/dbraw/zinc/03/87/38/172038738.db2.gz YKIVHTWMNAUZQB-UHFFFAOYSA-N 0 0 284.355 4.094 10 0 CIAERN Cc1cc(C)nc(NCCc2ccc(Cl)cc2Cl)n1 ZINC000035206288 172049972 /nfs/dbraw/zinc/04/99/72/172049972.db2.gz UPKHJACVBNMGEJ-UHFFFAOYSA-N 0 0 296.201 4.055 10 0 CIAERN CCCN(CCC)c1n[nH]c(=S)n1C1CCCCC1 ZINC000035222112 172065320 /nfs/dbraw/zinc/06/53/20/172065320.db2.gz GQWUGAMTWOEVFY-UHFFFAOYSA-N 0 0 282.457 4.072 10 0 CIAERN CC[C@H](C)c1ccc(NCc2ccoc2C(=O)OC)cc1 ZINC000035223601 172067871 /nfs/dbraw/zinc/06/78/71/172067871.db2.gz HJOGGPMUOPIOQU-LBPRGKRZSA-N 0 0 287.359 4.192 10 0 CIAERN C[C@@H](Nc1ncccc1C(F)(F)F)c1cccs1 ZINC000035238082 172076679 /nfs/dbraw/zinc/07/66/79/172076679.db2.gz UELSBDWWAUTYCB-MRVPVSSYSA-N 0 0 272.295 4.335 10 0 CIAERN Cc1cc(Sc2ccc(F)c(F)c2)ccc1N ZINC000035278645 172097520 /nfs/dbraw/zinc/09/75/20/172097520.db2.gz ZXJCWRDLJNCQOA-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN C[C@@H](Nc1cc(Cl)ccc1F)c1cccnc1 ZINC000035284359 172102611 /nfs/dbraw/zinc/10/26/11/172102611.db2.gz NXFGPHQMIUCLFF-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN C[C@H](Nc1cc(Cl)ccc1F)c1cccnc1 ZINC000035284358 172102973 /nfs/dbraw/zinc/10/29/73/172102973.db2.gz NXFGPHQMIUCLFF-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN O=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 ZINC000035286241 172104644 /nfs/dbraw/zinc/10/46/44/172104644.db2.gz GJUZKHJNFKCHAU-UHFFFAOYSA-N 0 0 288.759 4.067 10 0 CIAERN Cc1nc2cc(Nc3ccc(F)cc3)c(N)cc2s1 ZINC000035342636 172134824 /nfs/dbraw/zinc/13/48/24/172134824.db2.gz HNXCTWONCBSPIU-UHFFFAOYSA-N 0 0 273.336 4.070 10 0 CIAERN Cc1nc2cc(Oc3ccc(C)cc3)c(N)cc2s1 ZINC000035342852 172135215 /nfs/dbraw/zinc/13/52/15/172135215.db2.gz XHYLRUUUIVAVQQ-UHFFFAOYSA-N 0 0 270.357 4.288 10 0 CIAERN Cc1ccc(Nc2ccc3scnc3c2N)c(F)c1 ZINC000035344552 172136641 /nfs/dbraw/zinc/13/66/41/172136641.db2.gz UAQUVMIQPYIFLR-UHFFFAOYSA-N 0 0 273.336 4.070 10 0 CIAERN COc1ccc(C(=O)c2cc3c(s2)CCC3)cc1Cl ZINC000035369326 172160803 /nfs/dbraw/zinc/16/08/03/172160803.db2.gz NMCPINCEAWAUJN-UHFFFAOYSA-N 0 0 292.787 4.130 10 0 CIAERN COc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1F ZINC000035423970 172192300 /nfs/dbraw/zinc/19/23/00/172192300.db2.gz YNLHQYJGOOULKC-UHFFFAOYSA-N 0 0 299.128 4.372 10 0 CIAERN CN[C@@H](c1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000035464734 172212187 /nfs/dbraw/zinc/21/21/87/172212187.db2.gz WFOOXKIXRFWKNG-AWEZNQCLSA-N 0 0 284.161 4.441 10 0 CIAERN CN[C@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035501808 172236361 /nfs/dbraw/zinc/23/63/61/172236361.db2.gz OSHCCZNUUXYABV-LBPRGKRZSA-N 0 0 270.159 4.204 10 0 CIAERN Cc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000035531623 172243644 /nfs/dbraw/zinc/24/36/44/172243644.db2.gz FAHHWNXPFKBEQZ-UHFFFAOYSA-N 0 0 299.171 4.368 10 0 CIAERN CCN[C@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035547309 172255126 /nfs/dbraw/zinc/25/51/26/172255126.db2.gz RQGNXIBJHYLPTL-HNNXBMFYSA-N 0 0 281.733 4.317 10 0 CIAERN O=C(Nc1ccccc1O)c1cccc(-c2ccccc2)c1 ZINC000035552151 172259559 /nfs/dbraw/zinc/25/95/59/172259559.db2.gz FXULBRBYZGWHPK-UHFFFAOYSA-N 0 0 289.334 4.312 10 0 CIAERN CCN[C@@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035558644 172264265 /nfs/dbraw/zinc/26/42/65/172264265.db2.gz WZYNGDVWPIPXIC-ZDUSSCGKSA-N 0 0 270.159 4.285 10 0 CIAERN Cc1cccc(NC(=O)c2cc(C)nc3ccc(F)cc32)c1 ZINC000035565481 172264489 /nfs/dbraw/zinc/26/44/89/172264489.db2.gz JJPFBXLUYPIORE-UHFFFAOYSA-N 0 0 294.329 4.243 10 0 CIAERN Cc1ccc(OCc2ccc(Cl)s2)c([C@H](C)O)c1 ZINC000035630363 172311489 /nfs/dbraw/zinc/31/14/89/172311489.db2.gz WQRQCZDXFWSMHL-JTQLQIEISA-N 0 0 282.792 4.342 10 0 CIAERN Cc1ccc(OCc2ccccc2Cl)c([C@@H](C)O)c1 ZINC000035630360 172311710 /nfs/dbraw/zinc/31/17/10/172311710.db2.gz GUPJJMPUCPXQAK-GFCCVEGCSA-N 0 0 276.763 4.281 10 0 CIAERN CCc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1 ZINC000035632154 172314384 /nfs/dbraw/zinc/31/43/84/172314384.db2.gz ZQFACNLKBVQVCH-LLVKDONJSA-N 0 0 260.308 4.234 10 0 CIAERN CCc1cccc(Oc2ccc(F)cc2[C@H](C)O)c1 ZINC000035631905 172314458 /nfs/dbraw/zinc/31/44/58/172314458.db2.gz KOLGCGFTEHIWBD-NSHDSACASA-N 0 0 260.308 4.234 10 0 CIAERN C[C@@H](O)c1c(F)cccc1Oc1cccc2cccnc21 ZINC000035632457 172314920 /nfs/dbraw/zinc/31/49/20/172314920.db2.gz XFEGLXWJYPVRFP-LLVKDONJSA-N 0 0 283.302 4.220 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccccc2Cl)c(F)c1 ZINC000035632209 172314944 /nfs/dbraw/zinc/31/49/44/172314944.db2.gz DMCJRZYYNLVAHO-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN C[C@@H](O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000035632219 172315004 /nfs/dbraw/zinc/31/50/04/172315004.db2.gz JAVSSNMSRWMJKD-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN Cc1ccc(Oc2ccc(F)cc2[C@@H](C)O)cc1C ZINC000035632244 172315017 /nfs/dbraw/zinc/31/50/17/172315017.db2.gz UBFIBICGXPDYKX-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN Cc1ccc(Cl)c(Oc2ccc([C@@H](C)O)cc2)c1 ZINC000035632587 172315305 /nfs/dbraw/zinc/31/53/05/172315305.db2.gz XAUDGWVDQCKPDW-LLVKDONJSA-N 0 0 262.736 4.494 10 0 CIAERN CC[C@H](C(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000035645037 172322356 /nfs/dbraw/zinc/32/23/56/172322356.db2.gz DAAYJBQDRCKIAW-INIZCTEOSA-N 0 0 254.329 4.072 10 0 in-vitro CIAERN CC(C)(C)CC(C)(C)c1ccc(OCCCO)cc1 ZINC000035650208 172326190 /nfs/dbraw/zinc/32/61/90/172326190.db2.gz HMNJLRYSAKKHNT-UHFFFAOYSA-N 0 0 264.409 4.162 10 0 CIAERN CC(C)N(Cc1ccccc1)c1ccccc1[C@H](C)O ZINC000035650439 172326625 /nfs/dbraw/zinc/32/66/25/172326625.db2.gz MDMKKWSMYVEBHU-HNNXBMFYSA-N 0 0 269.388 4.155 10 0 CIAERN Fc1c(Cl)cccc1NC1Cc2ccccc2C1 ZINC000035658106 172333424 /nfs/dbraw/zinc/33/34/24/172333424.db2.gz UBNHOLPWWWSHSO-UHFFFAOYSA-N 0 0 261.727 4.058 10 0 CIAERN Cc1ccc(NC(=O)N(C)c2ccc(O)cc2)cc1Cl ZINC000035660944 172338171 /nfs/dbraw/zinc/33/81/71/172338171.db2.gz IEBTZQKLKGTFAL-UHFFFAOYSA-N 0 0 290.750 4.022 10 0 CIAERN Nc1ccc(Cl)c(CSc2cc(F)ccc2F)c1 ZINC000035676225 172346804 /nfs/dbraw/zinc/34/68/04/172346804.db2.gz HSXITJSWKSVXEU-UHFFFAOYSA-N 0 0 285.746 4.493 10 0 CIAERN CCC[C@H](Nc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035737509 172391160 /nfs/dbraw/zinc/39/11/60/172391160.db2.gz ACHLKYMMADCERG-AWEZNQCLSA-N 0 0 263.772 4.027 10 0 CIAERN COC(=O)C[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000035747900 172395899 /nfs/dbraw/zinc/39/58/99/172395899.db2.gz UCCHUIUJDUWSON-ZCFIWIBFSA-N 0 0 296.581 4.010 10 0 CIAERN COC(=O)C[C@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000035748812 172397082 /nfs/dbraw/zinc/39/70/82/172397082.db2.gz RCYXSLSNEUKNPW-LURJTMIESA-N 0 0 296.581 4.010 10 0 CIAERN CCCN(Cc1ccccc1)c1ccc(N)cc1Cl ZINC000036197304 172508819 /nfs/dbraw/zinc/50/88/19/172508819.db2.gz YODLQNOJBBMKRT-UHFFFAOYSA-N 0 0 274.795 4.339 10 0 CIAERN CC(C)c1ccc(Nc2ncc(Cl)cc2N)cc1 ZINC000036242685 172539221 /nfs/dbraw/zinc/53/92/21/172539221.db2.gz XAYGOWWJVOMQSY-UHFFFAOYSA-N 0 0 261.756 4.184 10 0 CIAERN Cc1cc(Oc2ccc(Cl)cc2Cl)ncc1N ZINC000036251836 172545366 /nfs/dbraw/zinc/54/53/66/172545366.db2.gz BJCFYFGJNZSGHP-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Fc1cccc(Nc2nc(Cl)nc3sccc32)c1 ZINC000036277420 172568464 /nfs/dbraw/zinc/56/84/64/172568464.db2.gz PMVBGCNQSOJUDK-UHFFFAOYSA-N 0 0 279.727 4.227 10 0 CIAERN Nc1cc(Cl)ccc1Oc1ncc(Cl)cc1Cl ZINC000036667340 172646645 /nfs/dbraw/zinc/64/66/45/172646645.db2.gz PKZYJYFNNFEQKP-UHFFFAOYSA-N 0 0 289.549 4.416 10 0 CIAERN CC[C@@H](Nc1c(C)n[nH]c1C)c1ccc(Cl)cc1 ZINC000036736028 172667054 /nfs/dbraw/zinc/66/70/54/172667054.db2.gz KVHBEACLQCNOES-CYBMUJFWSA-N 0 0 263.772 4.243 10 0 CIAERN Fc1cccc(CNc2cc(Br)ccc2F)c1 ZINC000036751540 172677608 /nfs/dbraw/zinc/67/76/08/172677608.db2.gz CKNWEDKEJTZUGQ-UHFFFAOYSA-N 0 0 298.130 4.339 10 0 CIAERN Cc1cccc(NC2CC(c3ccc(F)cc3)C2)c1 ZINC000036840833 172746015 /nfs/dbraw/zinc/74/60/15/172746015.db2.gz RCILMAWNBJGWMW-UHFFFAOYSA-N 0 0 255.336 4.492 10 0 CIAERN Fc1ccc(Cn2c3ccc(F)cc3[nH]c2=S)cc1 ZINC000036897499 172788705 /nfs/dbraw/zinc/78/87/05/172788705.db2.gz IKRCUOIBSLQTHA-UHFFFAOYSA-N 0 0 276.311 4.025 10 0 CIAERN COc1ccc(OC)c2c(Cl)cc(C(C)C)nc12 ZINC000036912999 172799371 /nfs/dbraw/zinc/79/93/71/172799371.db2.gz FAIFLKPMXQGROH-UHFFFAOYSA-N 0 0 265.740 4.029 10 0 CIAERN CCCC[C@@H](CC)c1cc(N)n(-c2ccccc2)n1 ZINC000036938391 172816720 /nfs/dbraw/zinc/81/67/20/172816720.db2.gz HPBKZBAJSXHPDU-CYBMUJFWSA-N 0 0 257.381 4.138 10 0 CIAERN CC(C)CC[C@@H](C)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000037104741 172957515 /nfs/dbraw/zinc/95/75/15/172957515.db2.gz WWAJONFPSBFPTC-CYBMUJFWSA-N 0 0 257.381 4.313 10 0 CIAERN Cc1nc2sccn2c1CNc1ccc(C)c(Cl)c1 ZINC000037188459 173018520 /nfs/dbraw/zinc/01/85/20/173018520.db2.gz IWJIMNIXLXZBTK-UHFFFAOYSA-N 0 0 291.807 4.278 10 0 CIAERN CCc1ccc(CSc2ccc(C)cc2N)s1 ZINC000037193274 173021895 /nfs/dbraw/zinc/02/18/95/173021895.db2.gz BTLIYCIGIRYHQX-UHFFFAOYSA-N 0 0 263.431 4.493 10 0 CIAERN COc1ccc(Cl)cc1CSc1ccc(N)cc1F ZINC000037194220 173023134 /nfs/dbraw/zinc/02/31/34/173023134.db2.gz LMABUWXAWWRMLB-UHFFFAOYSA-N 0 0 297.782 4.362 10 0 CIAERN COc1ccc(CSc2c(N)cccc2Cl)cc1 ZINC000037204361 173026717 /nfs/dbraw/zinc/02/67/17/173026717.db2.gz WUBZZOQRFCPUEB-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN Fc1ccc2sc(Nc3c(F)cccc3F)nc2c1 ZINC000037206840 173027619 /nfs/dbraw/zinc/02/76/19/173027619.db2.gz YXZJAFTWPUUJCM-UHFFFAOYSA-N 0 0 280.274 4.457 10 0 CIAERN Fc1ccc2sc(NCc3cccc(F)c3)nc2c1 ZINC000037206849 173028398 /nfs/dbraw/zinc/02/83/98/173028398.db2.gz FRAMBLQFKUZNQN-UHFFFAOYSA-N 0 0 276.311 4.187 10 0 CIAERN O=Cc1cc(F)ccc1Oc1cccc(Br)c1 ZINC000037234595 173053296 /nfs/dbraw/zinc/05/32/96/173053296.db2.gz IAOXXYIBIDVAJD-UHFFFAOYSA-N 0 0 295.107 4.193 10 0 CIAERN Cc1nc2sccn2c1CNc1ccc(F)c(Cl)c1 ZINC000037244250 173059363 /nfs/dbraw/zinc/05/93/63/173059363.db2.gz XOOFSSKOMVDHBD-UHFFFAOYSA-N 0 0 295.770 4.109 10 0 CIAERN Cc1n[nH]c(C)c1NCc1cc(-c2cccs2)cs1 ZINC000037261715 173071198 /nfs/dbraw/zinc/07/11/98/173071198.db2.gz DRUGDGWQJYMNMY-UHFFFAOYSA-N 0 0 289.429 4.429 10 0 CIAERN CCCc1ccc(Nc2ccc(C(N)=S)cc2)cc1 ZINC000037287539 173092968 /nfs/dbraw/zinc/09/29/68/173092968.db2.gz XSBOLSHBIIBXFG-UHFFFAOYSA-N 0 0 270.401 4.017 10 0 CIAERN CCCCc1ccc(NC(=O)c2cccc(N)c2C)cc1 ZINC000037287145 173093171 /nfs/dbraw/zinc/09/31/71/173093171.db2.gz MRDSHGQIDDYZEE-UHFFFAOYSA-N 0 0 282.387 4.172 10 0 CIAERN CCCOC(=O)c1ccc(NC[C@H](C)CCC)cc1 ZINC000037308469 173110872 /nfs/dbraw/zinc/11/08/72/173110872.db2.gz NTSJEYNZOWDFMJ-CYBMUJFWSA-N 0 0 263.381 4.102 10 0 CIAERN CC[C@H](C)C[C@H](CC)Nc1ccccc1C(=O)OC ZINC000037308216 173111087 /nfs/dbraw/zinc/11/10/87/173111087.db2.gz FCWSPKPLNNUHQW-STQMWFEESA-N 0 0 263.381 4.100 10 0 CIAERN CCCOC(=O)c1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000037308491 173111220 /nfs/dbraw/zinc/11/12/20/173111220.db2.gz YSFGLJOJSFJAAC-ZDUSSCGKSA-N 0 0 263.381 4.100 10 0 CIAERN Oc1ccc(N[C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000037316916 173117304 /nfs/dbraw/zinc/11/73/04/173117304.db2.gz YGAPSDSVDTVLDT-MRXNPFEDSA-N 0 0 257.308 4.095 10 0 CIAERN CC(C)(C)n1c2ccccc2nc1-c1sccc1N ZINC000037323668 173124357 /nfs/dbraw/zinc/12/43/57/173124357.db2.gz MOQQJGDWKFUKKV-UHFFFAOYSA-N 0 0 271.389 4.102 10 0 CIAERN Cc1cccc(C)c1OCCCC(=O)c1cccs1 ZINC000037329992 173131338 /nfs/dbraw/zinc/13/13/38/173131338.db2.gz NOBAAEMMYFCEPB-UHFFFAOYSA-N 0 0 274.385 4.407 10 0 CIAERN Cc1ccc(-c2[nH]nc(N)c2-c2cccc(Cl)c2)s1 ZINC000037348411 173144129 /nfs/dbraw/zinc/14/41/29/173144129.db2.gz HUUXEMYZAXLGRQ-UHFFFAOYSA-N 0 0 289.791 4.349 10 0 CIAERN Cc1ccsc1-c1noc(N)c1-c1ccccc1C ZINC000037349811 173144466 /nfs/dbraw/zinc/14/44/66/173144466.db2.gz PPYMXZVORDTXHG-UHFFFAOYSA-N 0 0 270.357 4.269 10 0 CIAERN Nc1onc(-c2ccccc2Cl)c1-c1ccccc1 ZINC000037350049 173144478 /nfs/dbraw/zinc/14/44/78/173144478.db2.gz DOBYLVNWHDQGTM-UHFFFAOYSA-N 0 0 270.719 4.244 10 0 CIAERN Cc1occc1-c1noc(N)c1-c1cccc(Cl)c1 ZINC000037349837 173144839 /nfs/dbraw/zinc/14/48/39/173144839.db2.gz GXSLVTHGAUOOCL-UHFFFAOYSA-N 0 0 274.707 4.146 10 0 CIAERN Cc1ccc(-c2noc(N)c2-c2ccc(F)cc2)cc1 ZINC000037350337 173144858 /nfs/dbraw/zinc/14/48/58/173144858.db2.gz BSUWOXFJHJBGQR-UHFFFAOYSA-N 0 0 268.291 4.038 10 0 CIAERN CC(C)(C(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000037357763 173147666 /nfs/dbraw/zinc/14/76/66/173147666.db2.gz HQMCLYRZFWZBTJ-UHFFFAOYSA-N 0 0 260.283 4.125 10 0 CIAERN CCCC[C@@H](CC)C(=O)c1ccc(OC)c(OC)c1 ZINC000037359929 173150377 /nfs/dbraw/zinc/15/03/77/173150377.db2.gz UGKVBDJSUPYUOT-GFCCVEGCSA-N 0 0 264.365 4.103 10 0 CIAERN O=C(CCC1CCCCC1)c1c[nH]c2ncccc12 ZINC000037361790 173150899 /nfs/dbraw/zinc/15/08/99/173150899.db2.gz PWEARXVESUXOEQ-UHFFFAOYSA-N 0 0 256.349 4.106 10 0 CIAERN Cc1ccc2c(C(=O)c3cccc(Cl)c3)c[nH]c2c1 ZINC000037367846 173157184 /nfs/dbraw/zinc/15/71/84/173157184.db2.gz IIDXIGXARRPQNR-UHFFFAOYSA-N 0 0 269.731 4.361 10 0 CIAERN Cc1ccc(Nc2ccc(C)cc2Br)c(N)c1 ZINC000037401336 173178113 /nfs/dbraw/zinc/17/81/13/173178113.db2.gz GDFZYZFEDVTXEO-UHFFFAOYSA-N 0 0 291.192 4.392 10 0 CIAERN Nc1cc(Cn2ccc3ccc(F)cc32)ccc1Cl ZINC000037402604 173179126 /nfs/dbraw/zinc/17/91/26/173179126.db2.gz IULVRVDRTFQJNM-UHFFFAOYSA-N 0 0 274.726 4.064 10 0 CIAERN Cc1cc(C)c(C)c(OCc2ccc(Cl)c(N)c2)c1 ZINC000037402847 173179526 /nfs/dbraw/zinc/17/95/26/173179526.db2.gz LPDUVEDBPUFHFE-UHFFFAOYSA-N 0 0 275.779 4.426 10 0 CIAERN Cc1cc2ccccc2n1Cc1cc(N)ccc1Cl ZINC000037403188 173179575 /nfs/dbraw/zinc/17/95/75/173179575.db2.gz AEPQKFGYVWQWGW-UHFFFAOYSA-N 0 0 270.763 4.234 10 0 CIAERN COc1cccc(SCc2ccc(Cl)c(N)c2)c1 ZINC000037402920 173179582 /nfs/dbraw/zinc/17/95/82/173179582.db2.gz TWZXDBWZTWQWDJ-UHFFFAOYSA-N 0 0 279.792 4.223 10 0 CIAERN Cc1ccc(Cl)cc1Nc1cccc(F)c1N ZINC000037419498 173196850 /nfs/dbraw/zinc/19/68/50/173196850.db2.gz JVPZGZDLTRGNDU-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN C[C@@H](c1ccccc1)n1c2cccc(F)c2[nH]c1=S ZINC000037422245 173198374 /nfs/dbraw/zinc/19/83/74/173198374.db2.gz LUWKQDHLBSRRHE-JTQLQIEISA-N 0 0 272.348 4.447 10 0 CIAERN CCCN[C@H](c1ccc(C(C)C)cc1)C(F)(F)F ZINC000037506494 173241153 /nfs/dbraw/zinc/24/11/53/173241153.db2.gz FRZCGUMJSXUCAC-CYBMUJFWSA-N 0 0 259.315 4.413 10 0 CIAERN Cc1ccccc1[C@](C)(O)c1ccc(Br)cc1 ZINC000037529263 173252795 /nfs/dbraw/zinc/25/27/95/173252795.db2.gz MNVUVZJQZIPTJZ-OAHLLOKOSA-N 0 0 291.188 4.013 10 0 CIAERN Cc1ccc(C[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000037530813 173253267 /nfs/dbraw/zinc/25/32/67/173253267.db2.gz PUTBJYZSPHGNGL-INIZCTEOSA-N 0 0 260.764 4.099 10 0 CIAERN Cc1ccc(CC(=O)c2cccc(Br)c2)cc1 ZINC000037531944 173253288 /nfs/dbraw/zinc/25/32/88/173253288.db2.gz ZXTOQIWPAJVGNW-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN CC[C@](O)(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000037531359 173253540 /nfs/dbraw/zinc/25/35/40/173253540.db2.gz YOFUNRDLCZXMJU-INIZCTEOSA-N 0 0 260.764 4.180 10 0 CIAERN CC[C@@](O)(Cc1cccc(Cl)c1)c1ccccc1 ZINC000037531360 173253610 /nfs/dbraw/zinc/25/36/10/173253610.db2.gz UUPQVMATHYAQRM-MRXNPFEDSA-N 0 0 260.764 4.180 10 0 CIAERN Cc1ccccc1C[C@@H](O)c1ccc(Br)cc1 ZINC000037532259 173253670 /nfs/dbraw/zinc/25/36/70/173253670.db2.gz VCDFQJHSDGMPAT-OAHLLOKOSA-N 0 0 291.188 4.034 10 0 CIAERN Cc1ccc(C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000037532248 173253820 /nfs/dbraw/zinc/25/38/20/173253820.db2.gz RASHCZZQZCBFKJ-HNNXBMFYSA-N 0 0 291.188 4.034 10 0 CIAERN Cc1cccc(C[C@H](O)c2ccc(Br)cc2)c1 ZINC000037532256 173254028 /nfs/dbraw/zinc/25/40/28/173254028.db2.gz JZMVWRHPWVZLIN-HNNXBMFYSA-N 0 0 291.188 4.034 10 0 CIAERN O[C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000037532338 173254032 /nfs/dbraw/zinc/25/40/32/173254032.db2.gz NHGVTEWKSYCZAR-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN O[C@H](Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000037532317 173254041 /nfs/dbraw/zinc/25/40/41/173254041.db2.gz YXWKLOTUHYAORO-CQSZACIVSA-N 0 0 267.155 4.270 10 0 CIAERN Oc1ccc(NCc2nc3cc(Cl)ccc3s2)cc1 ZINC000037600219 173553638 /nfs/dbraw/zinc/55/36/38/173553638.db2.gz KRIKGOPPORVUBG-UHFFFAOYSA-N 0 0 290.775 4.267 10 0 CIAERN Fc1ccc2sc(CCNc3ccccc3)nc2c1 ZINC000037600277 173554133 /nfs/dbraw/zinc/55/41/33/173554133.db2.gz UOHXPFSCUVZFKG-UHFFFAOYSA-N 0 0 272.348 4.090 10 0 CIAERN Cc1ccc(Oc2cccc(C)n2)c(Br)c1 ZINC000037670448 173611505 /nfs/dbraw/zinc/61/15/05/173611505.db2.gz ZMDLGJIPZISUDZ-UHFFFAOYSA-N 0 0 278.149 4.253 10 0 CIAERN CCc1cccc(C)c1N[C@H](C)c1scnc1C ZINC000037763863 173690353 /nfs/dbraw/zinc/69/03/53/173690353.db2.gz QEWQUJDZPGPCJM-GFCCVEGCSA-N 0 0 260.406 4.495 10 0 CIAERN Cc1ccc(CNc2cccc(N3CCCC3)c2)cc1 ZINC000037775054 173707098 /nfs/dbraw/zinc/70/70/98/173707098.db2.gz NLMGUZAHLOBWNQ-UHFFFAOYSA-N 0 0 266.388 4.207 10 0 CIAERN CCOc1ccc(Cl)cc1N[C@@H](C)c1ccncc1 ZINC000037780873 173710846 /nfs/dbraw/zinc/71/08/46/173710846.db2.gz NZTVEWKNGCWXRS-NSHDSACASA-N 0 0 276.767 4.307 10 0 CIAERN CCOc1ccc(Cl)cc1N[C@@H](C)c1cccnc1 ZINC000037780875 173711053 /nfs/dbraw/zinc/71/10/53/173711053.db2.gz FXHHRRLTTSSCEY-NSHDSACASA-N 0 0 276.767 4.307 10 0 CIAERN Cc1ncsc1[C@@H](C)Nc1ccc(N(C)C)c(Cl)c1 ZINC000037781296 173711798 /nfs/dbraw/zinc/71/17/98/173711798.db2.gz NOADGTPKGQQNOB-SNVBAGLBSA-N 0 0 295.839 4.344 10 0 CIAERN O[C@@H](CNc1ccc(Cl)cc1Cl)c1cccs1 ZINC000037875515 173818744 /nfs/dbraw/zinc/81/87/44/173818744.db2.gz MHHYMWCIZWQKFZ-NSHDSACASA-N 0 0 288.199 4.200 10 0 CIAERN O=C(Nc1ccc2sccc2c1)c1ccccc1F ZINC000037979536 173938190 /nfs/dbraw/zinc/93/81/90/173938190.db2.gz KCAWONWOHXCCEZ-UHFFFAOYSA-N 0 0 271.316 4.293 10 0 CIAERN CCOc1cccc(-c2nc(C)c(CC)c(Cl)n2)c1 ZINC000038004001 173966119 /nfs/dbraw/zinc/96/61/19/173966119.db2.gz SVIFYBRJVXWMIH-UHFFFAOYSA-N 0 0 276.767 4.067 10 0 CIAERN CSc1ccc(Nc2c(F)cc(N)cc2F)cc1 ZINC000038039967 174039578 /nfs/dbraw/zinc/03/95/78/174039578.db2.gz WZTJWADDGSOCID-UHFFFAOYSA-N 0 0 266.316 4.013 10 0 CIAERN Nc1cc(F)c(Sc2ccccc2Cl)c(F)c1 ZINC000038040405 174040169 /nfs/dbraw/zinc/04/01/69/174040169.db2.gz PECKSGNJGVOHLR-UHFFFAOYSA-N 0 0 271.719 4.352 10 0 CIAERN Cc1ccc(C)c(Sc2c(F)cc(N)cc2F)c1 ZINC000038040425 174040258 /nfs/dbraw/zinc/04/02/58/174040258.db2.gz UFIYZWKTLIYHQJ-UHFFFAOYSA-N 0 0 265.328 4.315 10 0 CIAERN CCCCCC[C@H](C)Oc1c(F)cc(N)cc1F ZINC000038040355 174040529 /nfs/dbraw/zinc/04/05/29/174040529.db2.gz JJZTXIQZPDAKHR-JTQLQIEISA-N 0 0 257.324 4.285 10 0 CIAERN Cc1ccc(C(C)C)cc1OCCOc1ccccc1N ZINC000038052935 174064653 /nfs/dbraw/zinc/06/46/53/174064653.db2.gz RXMHWXYTOADMOB-UHFFFAOYSA-N 0 0 285.387 4.158 10 0 CIAERN Cc1ccc([C@@H](C)N(C)C(=O)c2ccccc2F)s1 ZINC000038057421 174068043 /nfs/dbraw/zinc/06/80/43/174068043.db2.gz QXNMKHPAKJIXQS-LLVKDONJSA-N 0 0 277.364 4.029 10 0 CIAERN Nc1ccc(F)cc1-c1ccc(SC(F)F)cc1 ZINC000038069071 174080574 /nfs/dbraw/zinc/08/05/74/174080574.db2.gz YUECJLZFKSLQLA-UHFFFAOYSA-N 0 0 269.291 4.390 10 0 CIAERN O=Cc1ccccc1-c1ccc(SC(F)F)cc1 ZINC000038069711 174080902 /nfs/dbraw/zinc/08/09/02/174080902.db2.gz GPZMCXMBJHAYLZ-UHFFFAOYSA-N 0 0 264.296 4.481 10 0 CIAERN O=Cc1ccc(-c2ccccc2OC(F)(F)F)cc1 ZINC000038069679 174080941 /nfs/dbraw/zinc/08/09/41/174080941.db2.gz ADGAZMZBEAEEHD-UHFFFAOYSA-N 0 0 266.218 4.065 10 0 CIAERN CCC(=O)c1cccc(-c2ccc(OC)cc2F)c1 ZINC000038071970 174082710 /nfs/dbraw/zinc/08/27/10/174082710.db2.gz VXUGLABDDKIRAO-UHFFFAOYSA-N 0 0 258.292 4.094 10 0 CIAERN CCC(=O)c1ccc(-c2c(F)cc(F)cc2F)cc1 ZINC000038071795 174082818 /nfs/dbraw/zinc/08/28/18/174082818.db2.gz WHTZRDDPSMMNPP-UHFFFAOYSA-N 0 0 264.246 4.364 10 0 CIAERN Cc1cc(C)cc(C[C@](C)(O)c2ccccc2C)c1 ZINC000038077061 174087383 /nfs/dbraw/zinc/08/73/83/174087383.db2.gz DBKUYXCONFSSKV-SFHVURJKSA-N 0 0 254.373 4.062 10 0 CIAERN CC[C@@](O)(Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000038077086 174087630 /nfs/dbraw/zinc/08/76/30/174087630.db2.gz QYISLVFCIMRMJI-GOSISDBHSA-N 0 0 254.373 4.144 10 0 CIAERN Cc1cc(C)cc(CC(=O)Cc2ccc(Cl)cc2)c1 ZINC000038077170 174087640 /nfs/dbraw/zinc/08/76/40/174087640.db2.gz MZZPQXVNSOHRDI-UHFFFAOYSA-N 0 0 272.775 4.311 10 0 CIAERN CC[C@](O)(Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000038077087 174087733 /nfs/dbraw/zinc/08/77/33/174087733.db2.gz QYISLVFCIMRMJI-SFHVURJKSA-N 0 0 254.373 4.144 10 0 CIAERN CCC[C@@](O)(c1ccccc1)c1ccccc1Cl ZINC000038078291 174088211 /nfs/dbraw/zinc/08/82/11/174088211.db2.gz XNJLCAVNHQGMOI-MRXNPFEDSA-N 0 0 260.764 4.376 10 0 CIAERN FC(F)COc1ccc2ccccc2c1Br ZINC000038077788 174088330 /nfs/dbraw/zinc/08/83/30/174088330.db2.gz TWDLBBIAHAZUGU-UHFFFAOYSA-N 0 0 287.103 4.246 10 0 CIAERN O[C@@H](Cc1cccc(Cl)c1)c1ccccc1Cl ZINC000038078396 174088982 /nfs/dbraw/zinc/08/89/82/174088982.db2.gz JOBUQKKTOTVUGN-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1ccc(Cl)nn1 ZINC000038082338 174091013 /nfs/dbraw/zinc/09/10/13/174091013.db2.gz WPZLCGKOYDZHFV-JTQLQIEISA-N 0 0 262.740 4.436 10 0 CIAERN Clc1cncc(Oc2cccc3ccccc32)n1 ZINC000038082315 174091258 /nfs/dbraw/zinc/09/12/58/174091258.db2.gz GVMAGVKUFPTMLB-UHFFFAOYSA-N 0 0 256.692 4.076 10 0 CIAERN CSc1ccc(C(=O)COc2ccc(Cl)cc2)cc1 ZINC000038304209 174139235 /nfs/dbraw/zinc/13/92/35/174139235.db2.gz XOZCGJFGOUVDBE-UHFFFAOYSA-N 0 0 292.787 4.324 10 0 CIAERN COc1ccc(Cl)cc1-c1nc(-c2ccccn2)co1 ZINC000038314837 174139514 /nfs/dbraw/zinc/13/95/14/174139514.db2.gz BWGHUEIUTYJJMM-UHFFFAOYSA-N 0 0 286.718 4.066 10 0 CIAERN CCCCC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2 ZINC000038600412 174149382 /nfs/dbraw/zinc/14/93/82/174149382.db2.gz XTFOFLYSTXOJGF-UHFFFAOYSA-N 0 0 260.377 4.292 10 0 CIAERN CC(C)OC(=O)[C@@H](c1ccsc1)C1CCCCC1 ZINC000038643157 174150577 /nfs/dbraw/zinc/15/05/77/174150577.db2.gz NXLPGUAUJVEXTR-CQSZACIVSA-N 0 0 266.406 4.364 10 0 CIAERN O[C@H](c1ccc(F)cc1)c1cccc2ccccc21 ZINC000038777403 174154926 /nfs/dbraw/zinc/15/49/26/174154926.db2.gz YXOYRHMRZRODDL-QGZVFWFLSA-N 0 0 252.288 4.061 10 0 CIAERN O=c1cc(-c2ccccc2)c2cccnc2n1-c1ccccc1 ZINC000038880110 174158834 /nfs/dbraw/zinc/15/88/34/174158834.db2.gz XDHPQSRTDKFKKP-UHFFFAOYSA-N 0 0 298.345 4.053 10 0 CIAERN CC(C)(C)[C@@H]1CCC(=O)[C@H](CC(=O)c2ccccc2)C1 ZINC000039194482 174165110 /nfs/dbraw/zinc/16/51/10/174165110.db2.gz OPWJLYPXLLWOHU-LSDHHAIUSA-N 0 0 272.388 4.291 10 0 CIAERN Cc1ccc2cccc(-c3nc4ccccc4[nH]3)c2n1 ZINC000039251814 174167723 /nfs/dbraw/zinc/16/77/23/174167723.db2.gz WLNIBLNYTGOTBN-UHFFFAOYSA-N 0 0 259.312 4.087 10 0 CIAERN Fc1cc(F)cc(Nc2ccnc3c(F)cccc23)c1 ZINC000039963757 174179802 /nfs/dbraw/zinc/17/98/02/174179802.db2.gz KDTUOYPCCPITLA-UHFFFAOYSA-N 0 0 274.245 4.396 10 0 CIAERN CC(=O)c1cc2cc(Br)c(C)c(C)c2o1 ZINC000040175353 174201071 /nfs/dbraw/zinc/20/10/71/174201071.db2.gz GNPKVYPZSGCARR-UHFFFAOYSA-N 0 0 267.122 4.015 10 0 CIAERN CCCNC(=O)c1cc(-c2ccc(Cl)cc2)oc1C ZINC000040179406 174203110 /nfs/dbraw/zinc/20/31/10/174203110.db2.gz YGKXTSNBTOLYDR-UHFFFAOYSA-N 0 0 277.751 4.048 10 0 CIAERN Cc1cc2ncn(CCCc3ccccc3)c2cc1C ZINC000040224027 174207597 /nfs/dbraw/zinc/20/75/97/174207597.db2.gz AVJXCEZNXJLMKQ-UHFFFAOYSA-N 0 0 264.372 4.286 10 0 CIAERN CCc1ccc(OCCn2cnc3cc(C)c(C)cc32)cc1 ZINC000040224056 174208271 /nfs/dbraw/zinc/20/82/71/174208271.db2.gz MXIKVQVUHQHXHM-UHFFFAOYSA-N 0 0 294.398 4.295 10 0 CIAERN CCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225620 174208568 /nfs/dbraw/zinc/20/85/68/174208568.db2.gz MRSRRTVXFXLYIF-UHFFFAOYSA-N 0 0 270.763 4.300 10 0 CIAERN Cc1ccccc1C(=O)c1ccc(Br)s1 ZINC000040235877 174212139 /nfs/dbraw/zinc/21/21/39/174212139.db2.gz ORISGKUKHNUXQF-UHFFFAOYSA-N 0 0 281.174 4.050 10 0 CIAERN O[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000040243649 174214446 /nfs/dbraw/zinc/21/44/46/174214446.db2.gz WDHJXSIVNBJRNZ-ZDUSSCGKSA-N 0 0 271.118 4.214 10 0 CIAERN CC[C@@H](C)c1ccc([C@H](O)c2ccccc2F)cc1 ZINC000040246676 174215100 /nfs/dbraw/zinc/21/51/00/174215100.db2.gz ARBWWPMZORCRKQ-PXAZEXFGSA-N 0 0 258.336 4.421 10 0 CIAERN O[C@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000040247518 174215122 /nfs/dbraw/zinc/21/51/22/174215122.db2.gz LFDRCVUDMCXQJV-NSHDSACASA-N 0 0 259.157 4.137 10 0 CIAERN Fc1ccc(Nc2nc3cc(Cl)ccc3[nH]2)c(F)c1 ZINC000040379102 174250246 /nfs/dbraw/zinc/25/02/46/174250246.db2.gz YCZYKNPVSDMSBF-UHFFFAOYSA-N 0 0 279.677 4.238 10 0 CIAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2C)cc1 ZINC000040417080 174255869 /nfs/dbraw/zinc/25/58/69/174255869.db2.gz QWZZUQSITICSKK-UHFFFAOYSA-N 0 0 286.762 4.114 10 0 CIAERN CCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040417227 174255870 /nfs/dbraw/zinc/25/58/70/174255870.db2.gz DFVPGNBADVOKOR-UHFFFAOYSA-N 0 0 286.762 4.289 10 0 CIAERN CCc1nc2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417281 174256141 /nfs/dbraw/zinc/25/61/41/174256141.db2.gz BJXNOIRCORFIBM-UHFFFAOYSA-N 0 0 256.271 4.198 10 0 CIAERN CCOc1cc(Cl)c([C@@H](O)C(C)(C)C)cc1OCC ZINC000040451701 174266485 /nfs/dbraw/zinc/26/64/85/174266485.db2.gz YKYWEZYKXPKRMT-CQSZACIVSA-N 0 0 286.799 4.217 10 0 CIAERN Oc1cccc(-c2ccc(-c3cccc(O)c3)cc2)c1 ZINC000040829406 174411801 /nfs/dbraw/zinc/41/18/01/174411801.db2.gz OKAPKQMESLLPQL-UHFFFAOYSA-N 0 0 262.308 4.432 10 0 in-vivo CIAERN Oc1ccc(-c2ccc(-c3cccc(O)c3)s2)cc1 ZINC000040847645 174419755 /nfs/dbraw/zinc/41/97/55/174419755.db2.gz PKHBRBMFZXTMIS-UHFFFAOYSA-N 0 0 268.337 4.493 10 0 in-vivo CIAERN Cc1cccc(C(=O)Nc2ccnc3c(Cl)cccc23)c1 ZINC000041057552 174465297 /nfs/dbraw/zinc/46/52/97/174465297.db2.gz NRPTVWFQAOCZRB-UHFFFAOYSA-N 0 0 296.757 4.449 10 0 CIAERN Cc1cccc(C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000041379652 174538548 /nfs/dbraw/zinc/53/85/48/174538548.db2.gz XQCUTLJYDXVLCV-CQSZACIVSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1ccc(NCC2CCCC2)c(Br)c1 ZINC000041387145 174542689 /nfs/dbraw/zinc/54/26/89/174542689.db2.gz XCTYNFZVDSGLTI-UHFFFAOYSA-N 0 0 268.198 4.360 10 0 CIAERN Cc1cccc(C[C@H](CO)Cc2ccccc2Cl)c1 ZINC000041412294 174548940 /nfs/dbraw/zinc/54/89/40/174548940.db2.gz VKYQSMSHXKXKDQ-HNNXBMFYSA-N 0 0 274.791 4.042 10 0 CIAERN O[C@@H](Cc1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000041460321 174555139 /nfs/dbraw/zinc/55/51/39/174555139.db2.gz WJGHTOCKWWUNDE-ZDUSSCGKSA-N 0 0 285.145 4.409 10 0 CIAERN Cc1nc2cc(N(C)[C@H](C)C(C)(C)C)c(N)cc2s1 ZINC000042739597 174861141 /nfs/dbraw/zinc/86/11/41/174861141.db2.gz ORBXMSLFKFYDSS-SECBINFHSA-N 0 0 277.437 4.058 10 0 CIAERN C[C@@H](N(C)c1ccc(N)cc1C(F)(F)F)C(C)(C)C ZINC000042739707 174861165 /nfs/dbraw/zinc/86/11/65/174861165.db2.gz LUMRSFICAVSNKC-SECBINFHSA-N 0 0 274.330 4.158 10 0 CIAERN CC(=O)c1sc(-c2ccc(Cl)c(F)c2)nc1C ZINC000043389014 175033073 /nfs/dbraw/zinc/03/30/73/175033073.db2.gz IMIYCVQJJDOIEC-UHFFFAOYSA-N 0 0 269.728 4.114 10 0 CIAERN Cc1cccc(NC(=O)Nc2cccc3cccnc32)c1 ZINC000043467171 175053030 /nfs/dbraw/zinc/05/30/30/175053030.db2.gz WHMQHLGAKZVSGR-UHFFFAOYSA-N 0 0 277.327 4.187 10 0 CIAERN COc1ccc(NCc2ccc(O)c(Cl)c2)cc1Cl ZINC000043476679 175055031 /nfs/dbraw/zinc/05/50/31/175055031.db2.gz PJCOYXYEZMVFSE-UHFFFAOYSA-N 0 0 298.169 4.320 10 0 CIAERN CC(C)(C)[C@@H](O)CCc1ccc(C(F)(F)F)cc1 ZINC000043657667 175085783 /nfs/dbraw/zinc/08/57/83/175085783.db2.gz BTOOGQRPTLDULK-LBPRGKRZSA-N 0 0 260.299 4.045 10 0 CIAERN CC(C)C[C@@H](C)OCc1sccc1Br ZINC000043679536 175090374 /nfs/dbraw/zinc/09/03/74/175090374.db2.gz PFROYICXQURXJO-SECBINFHSA-N 0 0 277.227 4.462 10 0 CIAERN CCCCCOCc1ccc(Br)s1 ZINC000043679787 175090718 /nfs/dbraw/zinc/09/07/18/175090718.db2.gz KWTBSHASTDLWAF-UHFFFAOYSA-N 0 0 263.200 4.217 10 0 CIAERN CN(Cc1cc(Br)cs1)c1ccccc1 ZINC000043686929 175094475 /nfs/dbraw/zinc/09/44/75/175094475.db2.gz NHBPZFQQLZPFTL-UHFFFAOYSA-N 0 0 282.206 4.147 10 0 CIAERN Cc1ccc(OCc2cc(Br)cs2)cc1 ZINC000043687556 175094901 /nfs/dbraw/zinc/09/49/01/175094901.db2.gz ASXFDNFKAQXVAW-UHFFFAOYSA-N 0 0 283.190 4.398 10 0 CIAERN Brc1csc(CSc2ccccn2)c1 ZINC000043687753 175095071 /nfs/dbraw/zinc/09/50/71/175095071.db2.gz GRTGLNQMZJELGO-UHFFFAOYSA-N 0 0 286.219 4.198 10 0 CIAERN COc1ccccc1-c1ccc(Br)s1 ZINC000044120982 175142487 /nfs/dbraw/zinc/14/24/87/175142487.db2.gz FUQYXYBTDNEMJR-UHFFFAOYSA-N 0 0 269.163 4.186 10 0 CIAERN Cc1cc(F)ccc1-c1ncc(Br)s1 ZINC000044120509 175142893 /nfs/dbraw/zinc/14/28/93/175142893.db2.gz FQMLJXDBLSYMHR-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN CCN(c1cccc(F)c1)c1ccccc1[C@@H](C)O ZINC000044927742 175277696 /nfs/dbraw/zinc/27/76/96/175277696.db2.gz RVNPSKPLYQLUFT-GFCCVEGCSA-N 0 0 259.324 4.037 10 0 CIAERN CC(C)c1ccc(CNc2ncccc2Cl)cc1 ZINC000045046151 175296248 /nfs/dbraw/zinc/29/62/48/175296248.db2.gz NYEHOHAKYPYDAD-UHFFFAOYSA-N 0 0 260.768 4.471 10 0 CIAERN Cc1ccc(Nc2nc(C)cc(NC3CCCC3)n2)cc1 ZINC000045192446 175326708 /nfs/dbraw/zinc/32/67/08/175326708.db2.gz ZSNPWWYITFZAPE-UHFFFAOYSA-N 0 0 282.391 4.192 10 0 CIAERN Cc1cc(NC2CCCC2)nc(Nc2ccc(F)cc2)n1 ZINC000045211133 175329354 /nfs/dbraw/zinc/32/93/54/175329354.db2.gz XXVKTGYTIQQANH-UHFFFAOYSA-N 0 0 286.354 4.022 10 0 CIAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1 ZINC000048102447 175419996 /nfs/dbraw/zinc/41/99/96/175419996.db2.gz WZVKTZSHOHHLME-JTQLQIEISA-N 0 0 278.710 4.129 10 0 CIAERN Clc1ccccc1C=C(Br)Br ZINC000059334481 175631577 /nfs/dbraw/zinc/63/15/77/175631577.db2.gz HMBIEXSLUATWPX-UHFFFAOYSA-N 0 0 296.389 4.428 10 0 CIAERN CC(C)(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 ZINC000061053059 175642244 /nfs/dbraw/zinc/64/22/44/175642244.db2.gz IBQFPEHHCPPHHY-UHFFFAOYSA-N 0 0 297.189 4.220 10 0 CIAERN Cc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1Cl ZINC000063020995 175681137 /nfs/dbraw/zinc/68/11/37/175681137.db2.gz ZGPWLZIWOCMXFJ-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN COc1ccc(Cl)c(-c2ccc(Cl)c(O)c2)c1 ZINC000065343462 175713412 /nfs/dbraw/zinc/71/34/12/175713412.db2.gz DHHCUVVZNXKBBZ-UHFFFAOYSA-N 0 0 269.127 4.375 10 0 CIAERN CSc1cccc(Nc2nnc(Cl)c(C)c2C)c1 ZINC000071171032 176051484 /nfs/dbraw/zinc/05/14/84/176051484.db2.gz ONHJDGCNIWPELI-UHFFFAOYSA-N 0 0 279.796 4.212 10 0 CIAERN C[C@H]1CCC[C@H]1n1c2c(ccc(F)c2F)[nH]c1=S ZINC000071208652 176081238 /nfs/dbraw/zinc/08/12/38/176081238.db2.gz JGIRQAYQNIXCJW-OIBJUYFYSA-N 0 0 268.332 4.338 10 0 CIAERN COc1ccc(C)cc1[C@@H](N)c1cc2cc(C)ccc2o1 ZINC000071406754 176156354 /nfs/dbraw/zinc/15/63/54/176156354.db2.gz ILCPSZXKXLSDMM-GOSISDBHSA-N 0 0 281.355 4.106 10 0 CIAERN Cc1ccncc1Nc1nc2cc(Cl)ccc2s1 ZINC000071414093 176159166 /nfs/dbraw/zinc/15/91/66/176159166.db2.gz WTSWJNYHCWAGHV-UHFFFAOYSA-N 0 0 275.764 4.397 10 0 CIAERN CCc1ccc(-c2nc3ccc(N)cc3s2)cc1 ZINC000071575910 176203191 /nfs/dbraw/zinc/20/31/91/176203191.db2.gz MLKAJGDZMLVKDM-UHFFFAOYSA-N 0 0 254.358 4.108 10 0 CIAERN CCCC[C@H]1C[C@@]1(Br)[C@@H](O)c1ccccc1 ZINC000071873484 176284428 /nfs/dbraw/zinc/28/44/28/176284428.db2.gz HHUABOVBWUINQY-IHRRRGAJSA-N 0 0 283.209 4.064 10 0 CIAERN Clc1cccc2c(/C=C/c3cccnc3)c[nH]c21 ZINC000072106256 176316161 /nfs/dbraw/zinc/31/61/61/176316161.db2.gz IVKXDSVPJPLQDR-VOTSOKGWSA-N 0 0 254.720 4.387 10 0 CIAERN Clc1ccccc1-n1nccc1-c1cccs1 ZINC000072190496 176335613 /nfs/dbraw/zinc/33/56/13/176335613.db2.gz FFQKDLWYZUIPSN-UHFFFAOYSA-N 0 0 260.749 4.254 10 0 CIAERN Fc1ccccc1-c1ccsc1Br ZINC000072191883 176336359 /nfs/dbraw/zinc/33/63/59/176336359.db2.gz DNVUGKBJQKWVIH-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN CCc1ccc(-c2cncc(Br)c2)cc1 ZINC000072192724 176336665 /nfs/dbraw/zinc/33/66/65/176336665.db2.gz QFDVABOOCLZSDR-UHFFFAOYSA-N 0 0 262.150 4.074 10 0 CIAERN S=c1cc(-c2ccccn2)nc(-c2ccc(Cl)cc2)[nH]1 ZINC000073695490 176486236 /nfs/dbraw/zinc/48/62/36/176486236.db2.gz ZLLAWBSQWBFXPO-UHFFFAOYSA-N 0 0 299.786 4.148 10 0 CIAERN Cc1cc(Oc2cccc(Cl)c2Cl)ncc1N ZINC000076401671 177017216 /nfs/dbraw/zinc/01/72/16/177017216.db2.gz MASCICPDPZQNDR-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Cc1ccc2oc(-c3n[nH]c(=S)n3CC(C)C)cc2c1 ZINC000077069992 177185288 /nfs/dbraw/zinc/18/52/88/177185288.db2.gz JWULXBLFMWPCKO-UHFFFAOYSA-N 0 0 287.388 4.318 10 0 CIAERN Cc1ccc(C[C@H](C)C(=O)N[C@H](C)c2cccs2)cc1 ZINC000179956881 260083040 /nfs/dbraw/zinc/08/30/40/260083040.db2.gz QPAFPGXBINQVJB-UONOGXRCSA-N 0 0 287.428 4.113 10 0 CIAERN Fc1ccc([C@@H]2C[C@@H]2c2nc(-c3ccccc3)no2)cc1F ZINC000171777726 335079100 /nfs/dbraw/zinc/07/91/00/335079100.db2.gz YZWDJKCMMQDRSQ-STQMWFEESA-N 0 0 298.292 4.286 10 0 CIAERN Cc1cc(N[C@H](C)c2cc3ccccc3o2)nnc1C ZINC000301202577 227474496 /nfs/dbraw/zinc/47/44/96/227474496.db2.gz NUIDAYUMDRJZHM-GFCCVEGCSA-N 0 0 267.332 4.013 10 0 CIAERN FC(F)(F)c1cnc(NC[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000302789723 227887421 /nfs/dbraw/zinc/88/74/21/227887421.db2.gz XZYXXJWXAANSKN-GHMZBOCLSA-N 0 0 298.333 4.378 10 0 CIAERN FC(F)(F)c1cnc(NC[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000302789728 227887834 /nfs/dbraw/zinc/88/78/34/227887834.db2.gz XZYXXJWXAANSKN-WDEREUQCSA-N 0 0 298.333 4.378 10 0 CIAERN Cc1ccncc1-c1noc([C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000333168822 228192035 /nfs/dbraw/zinc/19/20/35/228192035.db2.gz JVPZQMNFCLHWLT-ZIAGYGMSSA-N 0 0 283.375 4.124 10 0 CIAERN Cc1ccncc1-c1noc(C=C2CCC(C)CC2)n1 ZINC000333185013 228192181 /nfs/dbraw/zinc/19/21/81/228192181.db2.gz NTLWMUOBXIDHIM-UHFFFAOYSA-N 0 0 269.348 4.034 10 0 CIAERN CCC[C@H](Nc1cn(C)nc1C(C)C)c1ccccc1 ZINC000312406914 260005690 /nfs/dbraw/zinc/00/56/90/260005690.db2.gz NARKMJLFVJWLNT-HNNXBMFYSA-N 0 0 271.408 4.497 10 0 CIAERN C[C@@H]1C[C@@H](C(=O)N2CCc3sccc3C2)CC(C)(C)C1 ZINC000182769876 260085890 /nfs/dbraw/zinc/08/58/90/260085890.db2.gz RJCUYAQFPVJRNS-TZMCWYRMSA-N 0 0 291.460 4.095 10 0 CIAERN CC[C@@H](Nc1cn(C)nc1C(C)C)c1cccs1 ZINC000305894066 260102849 /nfs/dbraw/zinc/10/28/49/260102849.db2.gz KAVVYOVLRRVZDS-LLVKDONJSA-N 0 0 263.410 4.168 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cc(C)c(C)cc2Cl)o1 ZINC000180497975 260104500 /nfs/dbraw/zinc/10/45/00/260104500.db2.gz OZALVOOIEOMWOX-LBPRGKRZSA-N 0 0 291.778 4.349 10 0 CIAERN CC[C@H](C)[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000180724423 260109318 /nfs/dbraw/zinc/10/93/18/260109318.db2.gz FKDPIYDGZLERHQ-AEGPPILISA-N 0 0 277.408 4.324 10 0 CIAERN C[C@@H](N[C@@H](C)c1ccco1)c1ccccc1Br ZINC000035738992 260152488 /nfs/dbraw/zinc/15/24/88/260152488.db2.gz LBDJTMPPRVOEIP-MNOVXSKESA-N 0 0 294.192 4.454 10 0 CIAERN C[C@H](N[C@@H](C)c1ccccc1Br)c1ccco1 ZINC000035738991 260152503 /nfs/dbraw/zinc/15/25/03/260152503.db2.gz LBDJTMPPRVOEIP-QWRGUYRKSA-N 0 0 294.192 4.454 10 0 CIAERN CC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000070163717 260152935 /nfs/dbraw/zinc/15/29/35/260152935.db2.gz XDRQOIWJADTGCL-INIZCTEOSA-N 0 0 278.355 4.049 10 0 CIAERN CC[C@@H](Nc1cn(C)nc1C(C)C)c1cccc(F)c1 ZINC000312829822 260209429 /nfs/dbraw/zinc/20/94/29/260209429.db2.gz UERLGKNHAIKJJL-CQSZACIVSA-N 0 0 275.371 4.246 10 0 CIAERN CC(=O)Nc1ccc(C)c(NCC2CCC(C)CC2)c1 ZINC000089576125 260237707 /nfs/dbraw/zinc/23/77/07/260237707.db2.gz FGTWXYYKLQWDFQ-UHFFFAOYSA-N 0 0 274.408 4.192 10 0 CIAERN CCC1CCC(c2noc(Cc3ccc(O)cc3)n2)CC1 ZINC000087939412 260242091 /nfs/dbraw/zinc/24/20/91/260242091.db2.gz XGUNXTWTSONDRL-UHFFFAOYSA-N 0 0 286.375 4.050 10 0 CIAERN CCCn1ccc(CNc2cccc3cnccc32)c1 ZINC000091010519 260264863 /nfs/dbraw/zinc/26/48/63/260264863.db2.gz VCCVCBJQYFWRPE-UHFFFAOYSA-N 0 0 265.360 4.058 10 0 CIAERN Cc1nc2ccccc2nc1NCCCCC(F)(F)F ZINC000125847495 260344004 /nfs/dbraw/zinc/34/40/04/260344004.db2.gz INWQXWHAYLIDIT-UHFFFAOYSA-N 0 0 283.297 4.083 10 0 CIAERN CCn1nc(C)c([C@@H](C)Nc2cc(C)ccc2F)c1C ZINC000045169070 260650370 /nfs/dbraw/zinc/65/03/70/260650370.db2.gz MPTKDFOVECPIJI-LLVKDONJSA-N 0 0 275.371 4.140 10 0 CIAERN c1coc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000152049956 261058958 /nfs/dbraw/zinc/05/89/58/261058958.db2.gz ZMOIDHZEFDIOLA-INIZCTEOSA-N 0 0 283.371 4.206 10 0 CIAERN CC[C@@H](SCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000156486595 261123697 /nfs/dbraw/zinc/12/36/97/261123697.db2.gz BPNSUEQXQPVLPO-CQSZACIVSA-N 0 0 287.432 4.077 10 0 CIAERN Cc1cc(CN[C@H](c2ccccc2)c2ccccc2C)on1 ZINC000175172913 261210648 /nfs/dbraw/zinc/21/06/48/261210648.db2.gz MTJMCKUAHXZAMI-LJQANCHMSA-N 0 0 292.382 4.171 10 0 CIAERN CC(C)n1ccnc1CS[C@@H](C)c1ccccc1 ZINC000175275205 261218155 /nfs/dbraw/zinc/21/81/55/261218155.db2.gz PTPDYCFCRWGRFT-ZDUSSCGKSA-N 0 0 260.406 4.458 10 0 CIAERN Cc1ccc(N[C@@H](C)c2cncs2)cc1Cl ZINC000162825405 261295536 /nfs/dbraw/zinc/29/55/36/261295536.db2.gz BXDPCHVPZYHSBI-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN C[C@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000163822677 261330771 /nfs/dbraw/zinc/33/07/71/261330771.db2.gz KIZBBTYZIMUBBO-UBHSHLNASA-N 0 0 299.336 4.027 10 0 CIAERN C[C@@H](CNc1ccnc(Cl)c1)c1ccsc1 ZINC000301629079 261338849 /nfs/dbraw/zinc/33/88/49/261338849.db2.gz IAJXZORPNICMLN-VIFPVBQESA-N 0 0 252.770 4.012 10 0 CIAERN C[C@@H](Nc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000301785290 261340839 /nfs/dbraw/zinc/34/08/39/261340839.db2.gz UXKOBMMRRDFIAN-ZCFIWIBFSA-N 0 0 252.305 4.008 10 0 CIAERN C[C@@H](Nc1cccc2c1CCCC2)c1cncs1 ZINC000164972190 261362242 /nfs/dbraw/zinc/36/22/42/261362242.db2.gz ZMXCPHBOGBYNCL-LLVKDONJSA-N 0 0 258.390 4.195 10 0 CIAERN C[C@H](Nc1cccc2c1CCCC2)c1cncs1 ZINC000164972068 261362245 /nfs/dbraw/zinc/36/22/45/261362245.db2.gz ZMXCPHBOGBYNCL-NSHDSACASA-N 0 0 258.390 4.195 10 0 CIAERN CC(C)CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000177581616 261363078 /nfs/dbraw/zinc/36/30/78/261363078.db2.gz KFUYKUPOFLLVJA-VXGBXAGGSA-N 0 0 293.373 4.296 10 0 CIAERN CSc1ccsc1C(=O)N[C@H](C)c1cccs1 ZINC000171681489 261476981 /nfs/dbraw/zinc/47/69/81/261476981.db2.gz PAHRKIKJNUORDW-MRVPVSSYSA-N 0 0 283.443 4.023 10 0 CIAERN C[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1cccs1 ZINC000179546736 261795175 /nfs/dbraw/zinc/79/51/75/261795175.db2.gz GUWYVWQRFFCIDK-LRDDRELGSA-N 0 0 285.412 4.119 10 0 CIAERN C=Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000185284574 262048016 /nfs/dbraw/zinc/04/80/16/262048016.db2.gz BXLCDPUYYSEAFQ-OAHLLOKOSA-N 0 0 298.411 4.154 10 0 CIAERN CCc1cc(C)c(C(=O)N[C@@H](C)c2ccc(Cl)s2)o1 ZINC000093076185 262364869 /nfs/dbraw/zinc/36/48/69/262364869.db2.gz MGHGFSCOQOCKEJ-VIFPVBQESA-N 0 0 297.807 4.356 10 0 CIAERN Cc1ccc([C@@H](C)Nc2ncnc3ccccc32)cc1F ZINC000094957745 262484487 /nfs/dbraw/zinc/48/44/87/262484487.db2.gz OLDUMSZKSWBYIC-GFCCVEGCSA-N 0 0 281.334 4.250 10 0 CIAERN CCc1ccc([C@@H](C)Nc2ccc(C(F)(F)F)nn2)cc1 ZINC000148616251 263032630 /nfs/dbraw/zinc/03/26/30/263032630.db2.gz SYFXPIBOWVNMTM-SNVBAGLBSA-N 0 0 295.308 4.231 10 0 CIAERN CCCN(CCC)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000093156163 263034577 /nfs/dbraw/zinc/03/45/77/263034577.db2.gz CTSPOXPCGHZOSW-JTQLQIEISA-N 0 0 288.844 4.294 10 0 CIAERN Cc1ccc(F)cc1CSCc1nccn1C(C)C ZINC000187506901 263260924 /nfs/dbraw/zinc/26/09/24/263260924.db2.gz OVHNIHUFZMVAEB-UHFFFAOYSA-N 0 0 278.396 4.345 10 0 CIAERN CS[C@H]1CC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000425350339 264024582 /nfs/dbraw/zinc/02/45/82/264024582.db2.gz LJIDYXKKIDMRLW-MNOVXSKESA-N 0 0 261.312 4.011 10 0 CIAERN Cc1nc(Cl)cc(N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000052836801 264121995 /nfs/dbraw/zinc/12/19/95/264121995.db2.gz LMYDJLZILQBVJK-MRVPVSSYSA-N 0 0 282.174 4.265 10 0 CIAERN FC(F)(F)[C@@H]1CCC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000129834480 264339778 /nfs/dbraw/zinc/33/97/78/264339778.db2.gz LRRINLZOQCVCRJ-RKDXNWHRSA-N 0 0 278.705 4.268 10 0 CIAERN CC1(C)C[C@H](NCc2ccc(Cl)o2)c2ccccc2O1 ZINC000344668700 265065894 /nfs/dbraw/zinc/06/58/94/265065894.db2.gz XAPFSVFNZAVFQT-ZDUSSCGKSA-N 0 0 291.778 4.325 10 0 CIAERN Clc1cnccc1N[C@H]1CCCc2ccccc21 ZINC000094195485 265223114 /nfs/dbraw/zinc/22/31/14/265223114.db2.gz JNMCBXIJTAUEAZ-AWEZNQCLSA-N 0 0 258.752 4.225 10 0 CIAERN Clc1cnccc1N[C@@H]1CCCc2ccccc21 ZINC000094195486 265223595 /nfs/dbraw/zinc/22/35/95/265223595.db2.gz JNMCBXIJTAUEAZ-CQSZACIVSA-N 0 0 258.752 4.225 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c(F)c1 ZINC000094820586 265257628 /nfs/dbraw/zinc/25/76/28/265257628.db2.gz VOUBTUVQNCYARF-LBPRGKRZSA-N 0 0 289.325 4.073 10 0 CIAERN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(O)c2)cc1F ZINC000094837366 265261746 /nfs/dbraw/zinc/26/17/46/265261746.db2.gz XFQOPJIPOXGXBX-OLZOCXBDSA-N 0 0 273.351 4.252 10 0 CIAERN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000094837060 265262091 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332969465 /nfs/dbraw/zinc/96/94/65/332969465.db2.gz OHGYGYAFMLDLGG-CQSZACIVSA-N 0 0 292.423 4.168 10 0 CIAERN Cc1cscc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000175339293 333022039 /nfs/dbraw/zinc/02/20/39/333022039.db2.gz JQIXTBLPHHAGHP-JTQLQIEISA-N 0 0 279.792 4.201 10 0 CIAERN Cc1cc(C)c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000175491901 333025747 /nfs/dbraw/zinc/02/57/47/333025747.db2.gz DIIZPLBCJUTAHR-LBPRGKRZSA-N 0 0 291.778 4.383 10 0 CIAERN Cc1cscc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000176163348 333039809 /nfs/dbraw/zinc/03/98/09/333039809.db2.gz ZHLHOCJLIHVUCU-VIFPVBQESA-N 0 0 297.782 4.340 10 0 CIAERN O=C(C/C=C/c1cccc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000176730339 333046446 /nfs/dbraw/zinc/04/64/46/333046446.db2.gz DLEWLQMEJQQSTN-MRKPZDFFSA-N 0 0 299.345 4.186 10 0 CIAERN C[C@@H](Nc1nccc(C(C)(C)C)n1)c1cccs1 ZINC000310843200 333061771 /nfs/dbraw/zinc/06/17/71/333061771.db2.gz ODBKLFYBBUVXPY-SNVBAGLBSA-N 0 0 261.394 4.009 10 0 CIAERN C[C@@H](OC1CCCCCC1)C(=O)N[C@H](C)c1cccs1 ZINC000177719921 333062262 /nfs/dbraw/zinc/06/22/62/333062262.db2.gz FRNZUPSJHLZQAF-CHWSQXEVSA-N 0 0 295.448 4.053 10 0 CIAERN C[C@@H](NC(=O)C1CCC(C)(C)CC1)c1cccs1 ZINC000178086303 333067650 /nfs/dbraw/zinc/06/76/50/333067650.db2.gz OEPYCBQQQCORFK-LLVKDONJSA-N 0 0 265.422 4.142 10 0 CIAERN C[C@@H](NC(=O)[C@@H](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000178387465 333071953 /nfs/dbraw/zinc/07/19/53/333071953.db2.gz JIWYSUIXFWPMPN-DTWKUNHWSA-N 0 0 286.202 4.217 10 0 CIAERN Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c(C)c1O ZINC000178794344 333077774 /nfs/dbraw/zinc/07/77/74/333077774.db2.gz PNAICGQUWWPAFV-GJZGRUSLSA-N 0 0 287.403 4.164 10 0 CIAERN Cc1ccc2cc(C(=O)N[C@@H](C)c3cccs3)ccc2n1 ZINC000178840972 333078105 /nfs/dbraw/zinc/07/81/05/333078105.db2.gz AOXNWSMUBXKEGY-LBPRGKRZSA-N 0 0 296.395 4.096 10 0 CIAERN C[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000088733132 333091591 /nfs/dbraw/zinc/09/15/91/333091591.db2.gz ABXZCRPZRVYLJF-LLVKDONJSA-N 0 0 298.773 4.312 10 0 CIAERN COCc1ccccc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 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CC[C@@H](Nc1cccc(-n2cccn2)c1)c1cccs1 ZINC000037127358 333490697 /nfs/dbraw/zinc/49/06/97/333490697.db2.gz GSQQYCRDXOWRBW-OAHLLOKOSA-N 0 0 283.400 4.497 10 0 CIAERN CC(=O)Nc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1F ZINC000037768225 333538198 /nfs/dbraw/zinc/53/81/98/333538198.db2.gz ZUKNCXWCAPGKTO-SMDDNHRTSA-N 0 0 292.398 4.411 10 0 CIAERN CSc1ccc(Cl)cc1NCc1cc[nH]c1 ZINC000124920547 333562468 /nfs/dbraw/zinc/56/24/68/333562468.db2.gz FJKDPQRUQUOLDJ-UHFFFAOYSA-N 0 0 252.770 4.002 10 0 CIAERN Cc1nc(CN[C@H]2c3ccccc3CCC2(C)C)cs1 ZINC000126152694 333591398 /nfs/dbraw/zinc/59/13/98/333591398.db2.gz LKVGIVMLAVJGLO-INIZCTEOSA-N 0 0 286.444 4.255 10 0 CIAERN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000126283681 333595751 /nfs/dbraw/zinc/59/57/51/333595751.db2.gz HWVIAWQWWVUIQK-CYBMUJFWSA-N 0 0 293.725 4.049 10 0 CIAERN CCC[C@H](C)CC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127563922 333631771 /nfs/dbraw/zinc/63/17/71/333631771.db2.gz CTBBECKILOZPJW-ZFWWWQNUSA-N 0 0 277.408 4.468 10 0 CIAERN 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CIAERN CC[C@H]1CC[C@H](Nc2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000080433393 334171502 /nfs/dbraw/zinc/17/15/02/334171502.db2.gz JZTIFVHXXQMHBM-RYUDHWBXSA-N 0 0 280.799 4.289 10 0 CIAERN CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000245510641 334198877 /nfs/dbraw/zinc/19/88/77/334198877.db2.gz LPENDIAXRRZGFJ-JYJNAYRXSA-N 0 0 289.419 4.406 10 0 CIAERN C[C@H](c1ccco1)N(C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247056458 334274631 /nfs/dbraw/zinc/27/46/31/334274631.db2.gz SFWLAAPYGAFKFA-SNPRPXQTSA-N 0 0 275.392 4.015 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)o1 ZINC000246340459 334251705 /nfs/dbraw/zinc/25/17/05/334251705.db2.gz GZRAMVJOCWUNOO-UNQGMJICSA-N 0 0 290.407 4.012 10 0 CIAERN CCC[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000248289985 334297932 /nfs/dbraw/zinc/29/79/32/334297932.db2.gz RVOBUYCDRIXBOY-UONOGXRCSA-N 0 0 273.420 4.179 10 0 CIAERN CC[C@H](C)[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000248532082 334305028 /nfs/dbraw/zinc/30/50/28/334305028.db2.gz 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CIAERN CC(=O)c1ccc(Oc2nc3ccccc3o2)c(Cl)c1 ZINC000120383722 518401171 /nfs/dbraw/zinc/40/11/71/518401171.db2.gz YZWGJMFDAUVCAE-UHFFFAOYSA-N 0 0 287.702 4.476 10 0 CIAERN CC(=O)c1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000061696647 518411020 /nfs/dbraw/zinc/41/10/20/518411020.db2.gz ZBFHPUCLWLNFKG-UHFFFAOYSA-N 0 0 283.805 4.459 10 0 CIAERN CC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000061688039 519761340 /nfs/dbraw/zinc/76/13/40/519761340.db2.gz SWGLDHHZAXXIDQ-ZDUSSCGKSA-N 0 0 258.283 4.109 10 0 CIAERN CC(C)[C@@H](Nc1c(N)ccc(F)c1F)c1cccs1 ZINC000053166742 519799816 /nfs/dbraw/zinc/79/98/16/519799816.db2.gz VUQYHHOONZXFAD-CYBMUJFWSA-N 0 0 282.359 4.418 10 0 CIAERN CC(C)[C@H](Nc1ccc(N)cc1F)c1cccs1 ZINC000049555089 519821697 /nfs/dbraw/zinc/82/16/97/519821697.db2.gz JMNFVQPPPSRMDK-AWEZNQCLSA-N 0 0 264.369 4.279 10 0 CIAERN CC(C)[C@H](Nc1cccc(F)n1)c1cccs1 ZINC000049561688 519821779 /nfs/dbraw/zinc/82/17/79/519821779.db2.gz PMJLXIKDVSCRHJ-ZDUSSCGKSA-N 0 0 250.342 4.091 10 0 CIAERN 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CCN[C@@H](c1ccccn1)c1cccc(Cl)c1Cl ZINC000055222939 520115395 /nfs/dbraw/zinc/11/53/95/520115395.db2.gz WQFYVYLMKVQFRE-CQSZACIVSA-N 0 0 281.186 4.087 10 0 CIAERN CCCNc1ccc(Cl)c(COCCC(C)C)n1 ZINC000061640203 520163079 /nfs/dbraw/zinc/16/30/79/520163079.db2.gz KFZTZQUVMKPTOB-UHFFFAOYSA-N 0 0 270.804 4.120 10 0 CIAERN CCCNc1ncccc1CSc1ccc(F)cc1 ZINC000052756014 520195735 /nfs/dbraw/zinc/19/57/35/520195735.db2.gz CZXFWXKLRSQNNZ-UHFFFAOYSA-N 0 0 276.380 4.335 10 0 CIAERN CCNc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000050728223 520294730 /nfs/dbraw/zinc/29/47/30/520294730.db2.gz BUXSWUUTZARHGJ-UHFFFAOYSA-N 0 0 274.751 4.024 10 0 CIAERN CCNc1ccc(Cl)c(CO[C@@H]2CCCC[C@@H]2C)n1 ZINC000061640232 520308935 /nfs/dbraw/zinc/30/89/35/520308935.db2.gz HENBTVILJVXGOT-SMDDNHRTSA-N 0 0 282.815 4.262 10 0 CIAERN CCCOc1ccc(-c2ccc(Cl)c(N)c2)cc1 ZINC000061692262 520316492 /nfs/dbraw/zinc/31/64/92/520316492.db2.gz RSTXRNZDWXLYAP-UHFFFAOYSA-N 0 0 261.752 4.378 10 0 CIAERN CCNc1ncccc1CSc1ccc(Cl)cc1 ZINC000052755878 520378592 /nfs/dbraw/zinc/37/85/92/520378592.db2.gz GESWOBOYDIROTC-UHFFFAOYSA-N 0 0 278.808 4.459 10 0 CIAERN CCC[C@H](C)COc1ccc(Cl)cc1[C@@H](C)O ZINC000051321440 521020701 /nfs/dbraw/zinc/02/07/01/521020701.db2.gz BDDNHPNLLIQRHK-WDEREUQCSA-N 0 0 256.773 4.208 10 0 CIAERN CCC[C@H](Nc1cc(N)cc(F)c1)c1cccs1 ZINC000049542380 521179883 /nfs/dbraw/zinc/17/98/83/521179883.db2.gz BKRUQQUGLMXCPK-ZDUSSCGKSA-N 0 0 264.369 4.423 10 0 CIAERN CCN(Cc1ccco1)Cc1nc(Cl)ccc1Cl ZINC000061630557 521398059 /nfs/dbraw/zinc/39/80/59/521398059.db2.gz RMJCVWNONNTVAZ-UHFFFAOYSA-N 0 0 285.174 4.004 10 0 CIAERN CCCc1ccc([C@H](O)c2cc(C)ccc2F)cc1 ZINC000052998937 521419182 /nfs/dbraw/zinc/41/91/82/521419182.db2.gz SCJUBKHZOBPHIW-KRWDZBQOSA-N 0 0 258.336 4.168 10 0 CIAERN CCC(CC)(c1ccccc1)[C@H](O)Cc1cccs1 ZINC000062783565 521480090 /nfs/dbraw/zinc/48/00/90/521480090.db2.gz KITHOOXMUGUXAY-MRXNPFEDSA-N 0 0 274.429 4.410 10 0 CIAERN CCCN(CC(F)(F)F)c1ccc([C@@H](C)O)cc1Cl ZINC000061696813 521587230 /nfs/dbraw/zinc/58/72/30/521587230.db2.gz NGNPTIFTSUEDHK-SECBINFHSA-N 0 0 295.732 4.172 10 0 CIAERN CCCN(c1ccc([C@@H](C)O)cc1Cl)C(C)C ZINC000061695214 521697130 /nfs/dbraw/zinc/69/71/30/521697130.db2.gz MFUBWHXRYNCWPH-LLVKDONJSA-N 0 0 255.789 4.018 10 0 CIAERN CCc1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000049136656 521768944 /nfs/dbraw/zinc/76/89/44/521768944.db2.gz IUFARAUDINUCKK-UHFFFAOYSA-N 0 0 250.345 4.342 10 0 CIAERN CCSc1ccccc1NC(=O)c1cccc(Cl)n1 ZINC000051072993 521778707 /nfs/dbraw/zinc/77/87/07/521778707.db2.gz IQBDXSQWKSQOAA-UHFFFAOYSA-N 0 0 292.791 4.099 10 0 CIAERN CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)COC)c(C)c1 ZINC000103388968 521784927 /nfs/dbraw/zinc/78/49/27/521784927.db2.gz UERVRVRZBYLNMS-STQMWFEESA-N 0 0 295.448 4.107 10 0 CIAERN CCc1ccsc1CNc1ccc(Br)cn1 ZINC000087311037 521998479 /nfs/dbraw/zinc/99/84/79/521998479.db2.gz UPHUVHLQLNCWLE-UHFFFAOYSA-N 0 0 297.221 4.080 10 0 CIAERN CNc1cc(C(F)(F)F)nc2c(Cl)cc(F)cc12 ZINC000050869910 522565452 /nfs/dbraw/zinc/56/54/52/522565452.db2.gz QOOAYWHFXVLIOL-UHFFFAOYSA-N 0 0 278.636 4.088 10 0 CIAERN COc1cc(F)cc2c(Cl)cc(C(F)(F)F)nc12 ZINC000049570209 522599131 /nfs/dbraw/zinc/59/91/31/522599131.db2.gz BJSZQZORVXGLDK-UHFFFAOYSA-N 0 0 279.620 4.055 10 0 CIAERN CNc1ccc(Cl)c(CSCC2CCCC2)n1 ZINC000062837441 522625201 /nfs/dbraw/zinc/62/52/01/522625201.db2.gz VGTSMMRCCKGDAG-UHFFFAOYSA-N 0 0 270.829 4.200 10 0 CIAERN CNc1ccc(OCc2nc(Cl)ccc2Cl)cc1 ZINC000061630712 522629792 /nfs/dbraw/zinc/62/97/92/522629792.db2.gz IMAQWYIPWCIJIC-UHFFFAOYSA-N 0 0 283.158 4.009 10 0 CIAERN CC[C@H](Nc1cccc(F)c1N)c1cccs1 ZINC000049529241 522773075 /nfs/dbraw/zinc/77/30/75/522773075.db2.gz RWWDMBVRUOGOBX-JTQLQIEISA-N 0 0 250.342 4.033 10 0 CIAERN CCc1ccc(Nc2cccc(Cl)c2C(N)=S)cc1 ZINC000052904153 523996943 /nfs/dbraw/zinc/99/69/43/523996943.db2.gz RUZQTSCYEDXMSK-UHFFFAOYSA-N 0 0 290.819 4.280 10 0 CIAERN CCc1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265843 524027143 /nfs/dbraw/zinc/02/71/43/524027143.db2.gz OGRSSQSEVDZPPL-VXGBXAGGSA-N 0 0 260.406 4.117 10 0 CIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2C=CCC2)o1 ZINC000128523060 524035695 /nfs/dbraw/zinc/03/56/95/524035695.db2.gz RVZIIQGHHVXCKY-HOCLYGCPSA-N 0 0 287.403 4.252 10 0 CIAERN CCc1ccc2c(c1)NC[C@H](c1ccc(C)cc1)O2 ZINC000062536714 524058825 /nfs/dbraw/zinc/05/88/25/524058825.db2.gz CHFJNJVSUNVEIK-QGZVFWFLSA-N 0 0 253.345 4.103 10 0 CIAERN Cc1ccc(C)c(C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000049257746 524110341 /nfs/dbraw/zinc/11/03/41/524110341.db2.gz ZLTPWLZUJVNONH-MRXNPFEDSA-N 0 0 260.764 4.233 10 0 CIAERN C[C@@H]1CCCC[C@@H]1OCc1ccc(Cl)cc1N ZINC000050443564 524150760 /nfs/dbraw/zinc/15/07/60/524150760.db2.gz IUYVCQWOLRVXIH-YGRLFVJLSA-N 0 0 253.773 4.018 10 0 CIAERN C[C@H]1CCC[C@@H](SCC(=O)c2ccc(F)cc2)C1 ZINC000054692974 524153454 /nfs/dbraw/zinc/15/34/54/524153454.db2.gz VBDFHJIOHBWXAV-SMDDNHRTSA-N 0 0 266.381 4.320 10 0 CIAERN C[C@H]1CCC[C@@H](SCc2nc3sccc3c(N)n2)C1 ZINC000054696083 524153735 /nfs/dbraw/zinc/15/37/35/524153735.db2.gz MPBNQQLWOXNYJQ-VHSXEESVSA-N 0 0 293.461 4.085 10 0 CIAERN Cc1ccc(C)c([C@@](C)(O)c2ccccc2Cl)c1 ZINC000050014363 524208430 /nfs/dbraw/zinc/20/84/30/524208430.db2.gz MXLBPWTUSXOXDY-INIZCTEOSA-N 0 0 260.764 4.213 10 0 CIAERN COc1ccc(Cl)cc1CNc1ccc(F)c(C)c1 ZINC000061097144 524210731 /nfs/dbraw/zinc/21/07/31/524210731.db2.gz WVVWXCXIVCLKOY-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN Cc1ccc(C)c([C@](C)(O)c2ccc(F)c(C)c2)c1 ZINC000055193198 524212172 /nfs/dbraw/zinc/21/21/72/524212172.db2.gz FCHAEVJXYNUPQK-QGZVFWFLSA-N 0 0 258.336 4.007 10 0 CIAERN Cc1cccc(C(=O)[C@H]2CCCc3ccccc32)c1 ZINC000054669176 524227434 /nfs/dbraw/zinc/22/74/34/524227434.db2.gz SJDLZOJRMSHWOE-KRWDZBQOSA-N 0 0 250.341 4.298 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2nc(Cl)c3c(n2)CCCC3)[C@H]1C ZINC000242463985 524411423 /nfs/dbraw/zinc/41/14/23/524411423.db2.gz DSAIKGSVOGLVIN-MDZLAQPJSA-N 0 0 293.842 4.245 10 0 CIAERN Cc1cc(C)cc(O[C@H](C)CNc2ccccc2)c1 ZINC000053566615 524455055 /nfs/dbraw/zinc/45/50/55/524455055.db2.gz GISGFMMKHVMAGR-OAHLLOKOSA-N 0 0 255.361 4.183 10 0 CIAERN Cc1cccc(NC(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000083055081 524616614 /nfs/dbraw/zinc/61/66/14/524616614.db2.gz CGANBZQSJDPEIZ-QGZVFWFLSA-N 0 0 297.402 4.093 10 0 CIAERN COc1ccccc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000073848763 524623943 /nfs/dbraw/zinc/62/39/43/524623943.db2.gz RYCBMCKFNFGDRS-KRWDZBQOSA-N 0 0 283.371 4.074 10 0 CIAERN Cc1ccc(C[C@@H](O)c2ccc(F)c(Cl)c2)cc1C ZINC000062791859 524667020 /nfs/dbraw/zinc/66/70/20/524667020.db2.gz YVNUAROYRPAARX-MRXNPFEDSA-N 0 0 278.754 4.372 10 0 CIAERN Cc1ccc(F)c(C(=O)c2ccc(F)c(Cl)c2)c1 ZINC000062791737 524802713 /nfs/dbraw/zinc/80/27/13/524802713.db2.gz SSYLJRKRLQRERA-UHFFFAOYSA-N 0 0 266.674 4.158 10 0 CIAERN Cc1ccc(F)c([C@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785452 524835303 /nfs/dbraw/zinc/83/53/03/524835303.db2.gz DOUBZVWRSXHQOG-CQSZACIVSA-N 0 0 268.690 4.008 10 0 CIAERN Cc1cccc([C@@H](O)c2ccc(F)c(Cl)c2)c1C ZINC000062792034 524839862 /nfs/dbraw/zinc/83/98/62/524839862.db2.gz SKPSNCOVIIENDP-HNNXBMFYSA-N 0 0 264.727 4.178 10 0 CIAERN Cc1ccc(F)cc1C(=O)c1ccc(Br)cc1 ZINC000055199045 524849670 /nfs/dbraw/zinc/84/96/70/524849670.db2.gz APXIYOJGBHYJAZ-UHFFFAOYSA-N 0 0 293.135 4.128 10 0 CIAERN Cc1cc(F)ccc1C(=O)c1cccc(Br)c1 ZINC000055199319 524968724 /nfs/dbraw/zinc/96/87/24/524968724.db2.gz WFBSJFBYVRZRDR-UHFFFAOYSA-N 0 0 293.135 4.128 10 0 CIAERN Cc1ccccc1-c1csc([C@@H](O)c2ccccc2)n1 ZINC000061905509 525008914 /nfs/dbraw/zinc/00/89/14/525008914.db2.gz YTXYCNCIMSWXHX-INIZCTEOSA-N 0 0 281.380 4.200 10 0 CIAERN C[C@](O)(CSc1cccc(Cl)c1)c1ccccc1 ZINC000054185726 525184123 /nfs/dbraw/zinc/18/41/23/525184123.db2.gz VSYSABBMFJQKCJ-HNNXBMFYSA-N 0 0 278.804 4.340 10 0 CIAERN Cc1ccc(NCCOc2ccccc2)c(Cl)c1 ZINC000049136333 525278937 /nfs/dbraw/zinc/27/89/37/525278937.db2.gz WQDHOSXIKUKENN-UHFFFAOYSA-N 0 0 261.752 4.139 10 0 CIAERN Cc1ccc(Nc2ccc(F)c(Cl)c2)cc1N ZINC000061701097 525322162 /nfs/dbraw/zinc/32/21/62/525322162.db2.gz NPXZFOUWCINTQY-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1ccc(Br)cn1 ZINC000049526020 525362073 /nfs/dbraw/zinc/36/20/73/525362073.db2.gz SPCBMJMLXFKVKI-LLVKDONJSA-N 0 0 291.192 4.326 10 0 CIAERN Cc1ccccc1[C@H](O)[C@H]1CCCc2ccccc21 ZINC000063157423 525434264 /nfs/dbraw/zinc/43/42/64/525434264.db2.gz SQBPKJGPWIQIPZ-ROUUACIJSA-N 0 0 252.357 4.149 10 0 CIAERN COc1ccc([C@](C)(O)c2cc(Cl)ccc2Cl)cc1 ZINC000055191572 525444219 /nfs/dbraw/zinc/44/42/19/525444219.db2.gz ITYGLRNDJCHNST-HNNXBMFYSA-N 0 0 297.181 4.258 10 0 CIAERN Cc1ccc(Oc2ccc(Br)cc2C)nc1 ZINC000063063241 525473390 /nfs/dbraw/zinc/47/33/90/525473390.db2.gz SQZBPUAZEHMJNB-UHFFFAOYSA-N 0 0 278.149 4.253 10 0 CIAERN Cc1cc([C@H](C)Nc2ccc(C)cc2N)c(C)s1 ZINC000049506159 525531704 /nfs/dbraw/zinc/53/17/04/525531704.db2.gz ZKECEVBZSMUWBB-NSHDSACASA-N 0 0 260.406 4.429 10 0 CIAERN Cc1cc([C@H](O)c2ccc(C(C)C)cc2)ccc1F ZINC000055201070 525540107 /nfs/dbraw/zinc/54/01/07/525540107.db2.gz BOJLWTIJFKENDD-QGZVFWFLSA-N 0 0 258.336 4.339 10 0 CIAERN C[C@H](Nc1cc(N)cc(F)c1)c1ccccc1Cl ZINC000049506634 525644456 /nfs/dbraw/zinc/64/44/56/525644456.db2.gz RVYARZRJBKEZSQ-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN Cc1cc2ccccc2nc1Sc1ccccc1N ZINC000063106542 525656358 /nfs/dbraw/zinc/65/63/58/525656358.db2.gz AABYICCWSPXBPO-UHFFFAOYSA-N 0 0 266.369 4.277 10 0 CIAERN Cc1cc2nc(C(C)C)oc2cc1Br ZINC000062536907 525668756 /nfs/dbraw/zinc/66/87/56/525668756.db2.gz QKVVHZGPULQUQM-UHFFFAOYSA-N 0 0 254.127 4.022 10 0 CIAERN C[C@H](Nc1ccccc1N)c1cccc(Br)c1 ZINC000049564131 525672835 /nfs/dbraw/zinc/67/28/35/525672835.db2.gz LRTJZOHOFAAOHL-JTQLQIEISA-N 0 0 291.192 4.204 10 0 CIAERN C[C@@H](Nc1c(N)ccc(F)c1F)c1ccc(Cl)s1 ZINC000053166331 525694704 /nfs/dbraw/zinc/69/47/04/525694704.db2.gz YXDNQJIGERRWDV-ZCFIWIBFSA-N 0 0 288.750 4.435 10 0 CIAERN C[C@@H](Nc1cc(N)cc(F)c1)c1cccc(Cl)c1 ZINC000049515290 525698502 /nfs/dbraw/zinc/69/85/02/525698502.db2.gz TZKPKFQABFIRHG-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1cccc(F)n1)c1ccc(Cl)s1 ZINC000042417119 525718258 /nfs/dbraw/zinc/71/82/58/525718258.db2.gz HWJHFLJSGOTEKQ-SSDOTTSWSA-N 0 0 256.733 4.109 10 0 CIAERN Cc1ccc([C@@H](C)Nc2c(N)cccc2Cl)cc1 ZINC000049555315 525748779 /nfs/dbraw/zinc/74/87/79/525748779.db2.gz FUSCDKGMVJZCPM-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc([C@@H](C)Nc2cnn(C(C)C)c2)c(C)c1 ZINC000061682617 525755064 /nfs/dbraw/zinc/75/50/64/525755064.db2.gz FHBRMVCAFDNKNR-CQSZACIVSA-N 0 0 257.381 4.254 10 0 CIAERN Cc1c(Cl)cccc1NCCOCCC(C)C ZINC000049265426 525777868 /nfs/dbraw/zinc/77/78/68/525777868.db2.gz NHKZAYNIXQAEGF-UHFFFAOYSA-N 0 0 255.789 4.123 10 0 CIAERN Cc1c(N)cccc1N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062725517 525819552 /nfs/dbraw/zinc/81/95/52/525819552.db2.gz TZNYRGUPNNWSSB-LBPRGKRZSA-N 0 0 274.795 4.428 10 0 CIAERN Cc1ccc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826584 525940658 /nfs/dbraw/zinc/94/06/58/525940658.db2.gz CPVWDYAYRMKAHY-MNOVXSKESA-N 0 0 265.303 4.278 10 0 CIAERN Cc1ccc([C@H](C)N[C@H](C)c2nccs2)c(C)c1 ZINC000080266494 525943885 /nfs/dbraw/zinc/94/38/85/525943885.db2.gz LPJOSDRHJXZUJQ-QWHCGFSZSA-N 0 0 260.406 4.172 10 0 CIAERN Cc1c2cc(C)ccc2oc1C(=O)c1ccsc1 ZINC000050339684 525950924 /nfs/dbraw/zinc/95/09/24/525950924.db2.gz XEKJIJZRZGANSD-UHFFFAOYSA-N 0 0 256.326 4.342 10 0 CIAERN Cc1c2ccc(C)cc2oc1C(=O)c1cccs1 ZINC000070160298 525962947 /nfs/dbraw/zinc/96/29/47/525962947.db2.gz IRUINVYJEDTCIW-UHFFFAOYSA-N 0 0 256.326 4.342 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C)cn2)o1 ZINC000122173671 525994209 /nfs/dbraw/zinc/99/42/09/525994209.db2.gz ASDHSDZPGVSLCN-CQSZACIVSA-N 0 0 299.374 4.051 10 0 CIAERN C[C@H](c1cccs1)N(C)c1cccc(Cl)c1C=O ZINC000049727451 526155503 /nfs/dbraw/zinc/15/55/03/526155503.db2.gz XZDKUGSFEWHFMV-SNVBAGLBSA-N 0 0 279.792 4.411 10 0 CIAERN Fc1cc(Br)ccc1COCc1ccccc1 ZINC000049600876 526294652 /nfs/dbraw/zinc/29/46/52/526294652.db2.gz YYKRMYPJMVPFAI-UHFFFAOYSA-N 0 0 295.151 4.305 10 0 CIAERN O[C@H](Cc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000052945448 526295894 /nfs/dbraw/zinc/29/58/94/526295894.db2.gz FVDXPMQDNCPTMA-SNVBAGLBSA-N 0 0 273.184 4.331 10 0 CIAERN Fc1cc(Cl)ccc1CN[C@@H]1CCOc2ccccc21 ZINC000157433935 526302006 /nfs/dbraw/zinc/30/20/06/526302006.db2.gz NGAXWHCPOBCLHQ-OAHLLOKOSA-N 0 0 291.753 4.093 10 0 CIAERN Oc1ccc(NCc2csc3ccccc23)cc1 ZINC000054463444 526351884 /nfs/dbraw/zinc/35/18/84/526351884.db2.gz UOZHPLDKZFLXAT-UHFFFAOYSA-N 0 0 255.342 4.219 10 0 CIAERN Fc1ccc2sc(NC(C3CC3)C3CC3)nc2c1 ZINC000049236362 526380458 /nfs/dbraw/zinc/38/04/58/526380458.db2.gz WEAPTIBIEAWWFO-UHFFFAOYSA-N 0 0 262.353 4.036 10 0 CIAERN Fc1cccc(-c2nc(Cl)c3cc(F)ccc3n2)c1 ZINC000062772525 526381166 /nfs/dbraw/zinc/38/11/66/526381166.db2.gz KJICLVSYHKFOLV-UHFFFAOYSA-N 0 0 276.673 4.228 10 0 CIAERN Cc1nc(-c2c(Cl)cccc2Cl)nc(N)c1C(C)C ZINC000061687581 526559439 /nfs/dbraw/zinc/55/94/39/526559439.db2.gz KFCUYXSHKXUGMU-UHFFFAOYSA-N 0 0 296.201 4.464 10 0 CIAERN Cc1nc(-c2ccccc2C)sc1Br ZINC000057555994 526605956 /nfs/dbraw/zinc/60/59/56/526605956.db2.gz BWFYQPGNRRHWLB-UHFFFAOYSA-N 0 0 268.179 4.189 10 0 CIAERN Cc1nc(Cl)cc(Nc2ccc(C)c(Cl)c2)n1 ZINC000052835561 526935693 /nfs/dbraw/zinc/93/56/93/526935693.db2.gz XCYWRKGIMUHANZ-UHFFFAOYSA-N 0 0 268.147 4.144 10 0 CIAERN Clc1ccc(-c2ncsc2Br)s1 ZINC000057578349 526936017 /nfs/dbraw/zinc/93/60/17/526936017.db2.gz FJGMAGWABVMQBB-UHFFFAOYSA-N 0 0 280.599 4.288 10 0 CIAERN Cc1nc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953241 527066923 /nfs/dbraw/zinc/06/69/23/527066923.db2.gz XIEVACMNDQDUAB-BDAKNGLRSA-N 0 0 282.359 4.142 10 0 CIAERN Cc1nc2ccccc2nc1N[C@@H](C)c1cccs1 ZINC000044782125 527174024 /nfs/dbraw/zinc/17/40/24/527174024.db2.gz QENSNFXEJAFJSH-JTQLQIEISA-N 0 0 269.373 4.173 10 0 CIAERN O=C(Cc1cccc(Cl)c1)c1ccc(Br)o1 ZINC000052944804 527261560 /nfs/dbraw/zinc/26/15/60/527261560.db2.gz YHDPVLCKRYHWRI-UHFFFAOYSA-N 0 0 299.551 4.121 10 0 CIAERN Nc1cc(F)ccc1OCc1ccc(Cl)cc1Cl ZINC000052064732 527456275 /nfs/dbraw/zinc/45/62/75/527456275.db2.gz HYBSONBVLREOOH-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000050471425 527497155 /nfs/dbraw/zinc/49/71/55/527497155.db2.gz WMOXRPNTCUUSJT-UHFFFAOYSA-N 0 0 288.656 4.128 10 0 CIAERN OC1(c2cccc(C(F)(F)F)c2)CCCCCC1 ZINC000055190214 527513934 /nfs/dbraw/zinc/51/39/34/527513934.db2.gz XKVINFWIUCLJSV-UHFFFAOYSA-N 0 0 258.283 4.247 10 0 CIAERN Nc1sc(C2CCCC2)nc1-c1cccc(F)c1 ZINC000050309436 527581172 /nfs/dbraw/zinc/58/11/72/527581172.db2.gz IJYWAEFLJQRGGQ-UHFFFAOYSA-N 0 0 262.353 4.189 10 0 CIAERN O[C@@H](c1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000055200988 527666650 /nfs/dbraw/zinc/66/66/50/527666650.db2.gz UVQBPZROXIIDFX-ZDUSSCGKSA-N 0 0 271.118 4.214 10 0 CIAERN FC(F)(F)c1ccc(-c2csc(Cl)n2)cc1 ZINC000061714179 527681511 /nfs/dbraw/zinc/68/15/11/527681511.db2.gz RZUUMJDXFHDWFC-UHFFFAOYSA-N 0 0 263.671 4.482 10 0 CIAERN Cc1nn(C(C)C)cc1NCc1cccc(Cl)c1F ZINC000725242825 570255239 /nfs/dbraw/zinc/25/52/39/570255239.db2.gz ZQODEIJLWWZOMM-UHFFFAOYSA-N 0 0 281.762 4.177 10 0 CIAERN Nc1c(F)ccc(-c2ccsc2C(F)(F)F)c1F ZINC000675059310 570365324 /nfs/dbraw/zinc/36/53/24/570365324.db2.gz NURSRMLEQFSAOQ-UHFFFAOYSA-N 0 0 279.233 4.294 10 0 CIAERN CO[C@H](CCc1ccccc1)CC(=O)CCc1ccccc1 ZINC000015121943 560097897 /nfs/dbraw/zinc/09/78/97/560097897.db2.gz PVYORFBABSDDNC-HXUWFJFHSA-N 0 0 296.410 4.226 10 0 endogenous,in-man CIAERN Cc1cc(C(F)(F)F)nc2cc(Br)ccc12 ZINC000667395534 566933841 /nfs/dbraw/zinc/93/38/41/566933841.db2.gz TZYFRSWFDBVIDC-UHFFFAOYSA-N 0 0 290.082 4.325 10 0 CIAERN C[C@@H]1C[C@@H](C)CC(O)(c2cccc(Br)c2)C1 ZINC000675060024 567022688 /nfs/dbraw/zinc/02/26/88/567022688.db2.gz ZPFKZABCXGOEHF-GHMZBOCLSA-N 0 0 283.209 4.093 10 0 CIAERN Cc1cc(-c2ccc(C(F)(F)F)cn2)c(C)cc1C=O ZINC000675072346 567023664 /nfs/dbraw/zinc/02/36/64/567023664.db2.gz DHLVRGWXYYNZSQ-UHFFFAOYSA-N 0 0 279.261 4.197 10 0 CIAERN Cc1c(Br)cncc1-c1nc(C(C)C)cs1 ZINC000675079918 567025444 /nfs/dbraw/zinc/02/54/44/567025444.db2.gz KBDLENWCXTTYIL-UHFFFAOYSA-N 0 0 297.221 4.399 10 0 CIAERN CC(=O)C[C@H](C)Sc1ccc(Cl)c(Cl)c1 ZINC000083867372 567027156 /nfs/dbraw/zinc/02/71/56/567027156.db2.gz JLEOOMWQIOPQJX-QMMMGPOBSA-N 0 0 263.189 4.453 10 0 CIAERN CC[C@@H](C)c1ccccc1NC(=O)c1cccc(N)c1C ZINC000084847547 567033552 /nfs/dbraw/zinc/03/35/52/567033552.db2.gz SRRXLRCHKGGIEZ-GFCCVEGCSA-N 0 0 282.387 4.343 10 0 CIAERN Nc1ccc2nc(/C=C/c3ccc(Cl)cc3)oc2c1 ZINC000226249846 567039052 /nfs/dbraw/zinc/03/90/52/567039052.db2.gz ZECWQLPWFXRJRW-FPYGCLRLSA-N 0 0 270.719 4.234 10 0 CIAERN Fc1ccccc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226247062 567039096 /nfs/dbraw/zinc/03/90/96/567039096.db2.gz SMGQHMATTIAMRA-UHFFFAOYSA-N 0 0 278.286 4.425 10 0 CIAERN CNc1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000226270764 567039223 /nfs/dbraw/zinc/03/92/23/567039223.db2.gz GFBOLSGUIWGANO-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN CCNc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000226285349 567041059 /nfs/dbraw/zinc/04/10/59/567041059.db2.gz IZJDZWDNXGSMCR-UHFFFAOYSA-N 0 0 282.387 4.494 10 0 CIAERN CC(C)Cc1nc(C(F)(F)F)c(Br)s1 ZINC000616580442 567213210 /nfs/dbraw/zinc/21/32/10/567213210.db2.gz XPRNLRFXEHICPB-UHFFFAOYSA-N 0 0 288.132 4.123 10 0 CIAERN C[Si](C)(C)CCSC[C@@H]1COC2(CCCCC2)O1 ZINC000725246617 567219859 /nfs/dbraw/zinc/21/98/59/567219859.db2.gz ZPXRVTPEZSROOE-ZDUSSCGKSA-N 0 0 288.529 4.134 10 0 CIAERN BrCc1oc2ccccc2c1Br ZINC000150148106 567860680 /nfs/dbraw/zinc/86/06/80/567860680.db2.gz WIHABELRBPWGPB-UHFFFAOYSA-N 0 0 289.954 4.090 10 0 CIAERN Nc1ncc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000584881399 567882731 /nfs/dbraw/zinc/88/27/31/567882731.db2.gz SZVGWZHZRMYLIG-UHFFFAOYSA-N 0 0 272.657 4.003 10 0 CIAERN O=Cc1cccc(-c2cccc(Br)c2F)c1 ZINC000236131053 567892899 /nfs/dbraw/zinc/89/28/99/567892899.db2.gz FVZHCYFGRPDJCZ-UHFFFAOYSA-N 0 0 279.108 4.068 10 0 CIAERN Cc1cc2[nH]c(-c3ccccc3F)nc2cc1Cl ZINC000073638970 567893620 /nfs/dbraw/zinc/89/36/20/567893620.db2.gz VYQMUQIOLJJVPI-UHFFFAOYSA-N 0 0 260.699 4.331 10 0 CIAERN Fc1ccc(Cl)cc1-c1cc(Cl)cnc1F ZINC000725241566 567907703 /nfs/dbraw/zinc/90/77/03/567907703.db2.gz ZBVBKKDIUDWFFA-UHFFFAOYSA-N 0 0 260.070 4.334 10 0 CIAERN CCC(C)(C)c1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725245128 567908173 /nfs/dbraw/zinc/90/81/73/567908173.db2.gz AJZBEMKHCLKGEN-UHFFFAOYSA-N 0 0 265.788 4.194 10 0 CIAERN CC[C@H](C)Cc1nc2cc(C3CCC3)cc(Cl)n2n1 ZINC000725245472 567908259 /nfs/dbraw/zinc/90/82/59/567908259.db2.gz JAXAJVLCNBNGFM-JTQLQIEISA-N 0 0 277.799 4.239 10 0 CIAERN CC[C@H]1C[C@@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253892 567911569 /nfs/dbraw/zinc/91/15/69/567911569.db2.gz PJCMJOMGAJKWLU-STQMWFEESA-N 0 0 275.392 4.096 10 0 CIAERN CCC(C)(C)[C@@H]1CCCN[C@@H](C(F)(F)F)CC1 ZINC000725255949 567915227 /nfs/dbraw/zinc/91/52/27/567915227.db2.gz LACQNDZVLNNGRL-GHMZBOCLSA-N 0 0 251.336 4.133 10 0 CIAERN CCCC(=O)CSc1cc(Cl)cc(Cl)c1 ZINC000308881311 567928310 /nfs/dbraw/zinc/92/83/10/567928310.db2.gz VQJFLQFFCLRBOP-UHFFFAOYSA-N 0 0 263.189 4.455 10 0 CIAERN CC(C)(C)OC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC000725273795 570264374 /nfs/dbraw/zinc/26/43/74/570264374.db2.gz HGAXCYWYWBHWPL-PKNBQFBNSA-N 0 0 272.319 4.334 10 0 CIAERN C[C@@H]1CC[C@@](O)(c2cccc(Br)c2)C[C@@H]1C ZINC000675059690 570365724 /nfs/dbraw/zinc/36/57/24/570365724.db2.gz UISWGWNSMWTPBY-SUNKGSAMSA-N 0 0 283.209 4.093 10 0 CIAERN CC(C)c1nn(C)cc1-c1ccc(F)c(Cl)c1 ZINC000675070533 570366685 /nfs/dbraw/zinc/36/66/85/570366685.db2.gz ZVYWUUIFMQFGNM-UHFFFAOYSA-N 0 0 252.720 4.003 10 0 CIAERN CC(C)(C)C(=O)c1cc2ccc(Br)cc2o1 ZINC000675081121 570368707 /nfs/dbraw/zinc/36/87/07/570368707.db2.gz HYWBJJHLLSWDLY-UHFFFAOYSA-N 0 0 281.149 4.424 10 0 CIAERN Cc1c(N)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019270172 570408015 /nfs/dbraw/zinc/40/80/15/570408015.db2.gz KQIIRBQVOORFBP-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN CCC(C)(C)C1CCC([S@@](=N)(=O)C(C)C)CC1 ZINC000616568156 570408668 /nfs/dbraw/zinc/40/86/68/570408668.db2.gz FILCLPUYYOUGOG-FVKWTLKZSA-N 0 0 259.459 4.437 10 0 CIAERN CC(C)c1ccc(Br)cc1Br ZINC000138880387 570409217 /nfs/dbraw/zinc/40/92/17/570409217.db2.gz CWZVGUOYTWYNJC-UHFFFAOYSA-N 0 0 277.987 4.335 10 0 CIAERN c1ccc(CNc2ncnc3c4ccccc4sc32)cc1 ZINC000003815301 581092166 /nfs/dbraw/zinc/09/21/66/581092166.db2.gz XJRQKMJYHWKOOV-UHFFFAOYSA-N 0 0 291.379 4.457 10 0 CIAERN Oc1ccc2oc(-c3ccc4cc(O)ccc4c3)nc2c1 ZINC000012353756 581101550 /nfs/dbraw/zinc/10/15/50/581101550.db2.gz PRBSKPRGLMJEEA-UHFFFAOYSA-N 0 0 277.279 4.059 10 0 in-vivo CIAERN CCCCn1nc(C2CC2)nc1-c1ccc(F)c(F)c1F ZINC000095509811 185001341 /nfs/dbraw/zinc/00/13/41/185001341.db2.gz KMRZGYLKJVNIRM-UHFFFAOYSA-N 0 0 295.308 4.040 10 0 CIAERN Brc1cccc2c1-c1ccccc1CO2 ZINC000095630439 185017082 /nfs/dbraw/zinc/01/70/82/185017082.db2.gz JFXPRTHDXBYUSQ-UHFFFAOYSA-N 0 0 261.118 4.009 10 0 CIAERN CC(C)(C)c1ccc(OC2CC2)c(Br)c1 ZINC000095720213 185019173 /nfs/dbraw/zinc/01/91/73/185019173.db2.gz FFTXCRVLIDJWRL-UHFFFAOYSA-N 0 0 269.182 4.288 10 0 CIAERN CC(C)c1ccc(Br)cc1OC1CC1 ZINC000095725160 185020685 /nfs/dbraw/zinc/02/06/85/185020685.db2.gz PCCJHPRQIXEZDA-UHFFFAOYSA-N 0 0 255.155 4.114 10 0 CIAERN C[C@@H]1CCCC[C@@H]1Nc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501713 178066115 /nfs/dbraw/zinc/06/61/15/178066115.db2.gz KAMNQXLSCHJYQC-SFYZADRCSA-N 0 0 293.720 4.139 10 0 CIAERN C[C@@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501717 178066209 /nfs/dbraw/zinc/06/62/09/178066209.db2.gz KAMNQXLSCHJYQC-HTQZYQBOSA-N 0 0 293.720 4.139 10 0 CIAERN FC(F)(F)c1cccc(/C=C/Br)c1 ZINC000095762493 185026396 /nfs/dbraw/zinc/02/63/96/185026396.db2.gz SORYLDUWQMEDRE-SNAWJCMRSA-N 0 0 251.045 4.071 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509703 178076120 /nfs/dbraw/zinc/07/61/20/178076120.db2.gz BZZBWUKCRYBIIO-WDEREUQCSA-N 0 0 281.831 4.418 10 0 CIAERN CCCc1nc(Cl)cc(N[C@@H]2CCCC[C@H]2C)n1 ZINC000082509764 178076604 /nfs/dbraw/zinc/07/66/04/178076604.db2.gz WLQBDFALTHDWNN-GHMZBOCLSA-N 0 0 267.804 4.073 10 0 CIAERN CCCc1nc(Cl)cc(NCc2ccc(C)cc2)n1 ZINC000082509796 178076724 /nfs/dbraw/zinc/07/67/24/178076724.db2.gz NHYYKMXRECMAEK-UHFFFAOYSA-N 0 0 275.783 4.003 10 0 CIAERN FC(F)(F)Sc1ncc(Cl)cc1Br ZINC000095918442 185031225 /nfs/dbraw/zinc/03/12/25/185031225.db2.gz ZVGQQFVTAKKGEA-UHFFFAOYSA-N 0 0 292.507 4.109 10 0 CIAERN FC(F)(F)[C@H]1CCCN1c1cccc2ccccc21 ZINC000095930859 185032937 /nfs/dbraw/zinc/03/29/37/185032937.db2.gz XQXYPQQCTHOHGW-CQSZACIVSA-N 0 0 265.278 4.371 10 0 CIAERN Cc1ccc(/C=C\C(=O)Nc2ccccc2)cc1Cl ZINC000095938489 185034848 /nfs/dbraw/zinc/03/48/48/185034848.db2.gz GZNPQPZJEAGXFH-KTKRTIGZSA-N 0 0 271.747 4.300 10 0 CIAERN COc1ccc(C)cc1-c1cc(C(C)=O)ccc1F ZINC000082708932 178218652 /nfs/dbraw/zinc/21/86/52/178218652.db2.gz BZNNHCACVCXNEW-UHFFFAOYSA-N 0 0 258.292 4.012 10 0 CIAERN CN(C)c1cccc(NCc2ccc(Cl)cc2)c1 ZINC000082711997 178224444 /nfs/dbraw/zinc/22/44/44/178224444.db2.gz VVUQOFKMDJCFDL-UHFFFAOYSA-N 0 0 260.768 4.018 10 0 CIAERN Cc1cccc2sc(NCCc3ccccc3)nc21 ZINC000082727244 178243550 /nfs/dbraw/zinc/24/35/50/178243550.db2.gz UXCQWQKPOZLAFS-UHFFFAOYSA-N 0 0 268.385 4.259 10 0 CIAERN Cc1cc(C)c2cc(Cl)cc(Br)c2n1 ZINC000082788381 178293769 /nfs/dbraw/zinc/29/37/69/178293769.db2.gz JQLCDQVWWUJTSX-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN Cc1cc(Cl)c(C(=O)c2cccs2)cc1C ZINC000083165610 178347222 /nfs/dbraw/zinc/34/72/22/178347222.db2.gz KWUQUIXTFYPKNU-UHFFFAOYSA-N 0 0 250.750 4.249 10 0 CIAERN CC[C@H](O)c1ccc(Br)c2ccccc21 ZINC000083165698 178347981 /nfs/dbraw/zinc/34/79/81/178347981.db2.gz JZVICUREUQMFSZ-ZDUSSCGKSA-N 0 0 265.150 4.046 10 0 CIAERN CCOC(=O)/C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C ZINC000083265132 178377329 /nfs/dbraw/zinc/37/73/29/178377329.db2.gz BONIYDFKKJJFBB-ZLNDROGTSA-N 0 0 288.387 4.143 10 0 CIAERN Nc1cccc(OCc2cc3ccccc3s2)c1 ZINC000083252018 178370523 /nfs/dbraw/zinc/37/05/23/178370523.db2.gz ZRAONCDQXLIDNC-UHFFFAOYSA-N 0 0 255.342 4.063 10 0 CIAERN CC(C)(C)[C@@H]1CCc2nc(Br)sc2C1 ZINC000096943519 185133850 /nfs/dbraw/zinc/13/38/50/185133850.db2.gz MUHKJYAUZNHHAA-SSDOTTSWSA-N 0 0 274.227 4.057 10 0 CIAERN Fc1cc(F)cc(-c2csc(Br)c2)c1 ZINC000096943116 185133921 /nfs/dbraw/zinc/13/39/21/185133921.db2.gz LFTNUEIMCGMDQU-UHFFFAOYSA-N 0 0 275.117 4.456 10 0 CIAERN FC(F)(F)c1nc2c(cccc2Br)s1 ZINC000096977763 185145545 /nfs/dbraw/zinc/14/55/45/185145545.db2.gz OFXOANDVUOFDPF-UHFFFAOYSA-N 0 0 282.084 4.078 10 0 CIAERN Cc1ccnc(Cl)c1NC[C@@H](C)c1ccccc1 ZINC000083442545 178456262 /nfs/dbraw/zinc/45/62/62/178456262.db2.gz ZSLPZWCCBHOZPA-GFCCVEGCSA-N 0 0 260.768 4.259 10 0 CIAERN CCc1cnc([C@@H](C)Nc2ccnc3ccsc32)s1 ZINC000301548983 529665171 /nfs/dbraw/zinc/66/51/71/529665171.db2.gz LSSHAHFFMKHOQH-SECBINFHSA-N 0 0 289.429 4.488 10 0 CIAERN CCc1ccc([C@H](Nc2nccc(C)n2)C(C)(C)C)o1 ZINC000301551761 529726420 /nfs/dbraw/zinc/72/64/20/529726420.db2.gz HINFNEIEPHTRTM-AWEZNQCLSA-N 0 0 273.380 4.140 10 0 CIAERN FC(F)(F)c1cccc(-c2ccnc(Cl)c2)c1 ZINC000084608920 178903467 /nfs/dbraw/zinc/90/34/67/178903467.db2.gz FDARJVQUBSSJIR-UHFFFAOYSA-N 0 0 257.642 4.421 10 0 CIAERN COC(=O)c1cc(Nc2ccccc2C)c2ccccc2n1 ZINC000085345666 179028313 /nfs/dbraw/zinc/02/83/13/179028313.db2.gz OPDBJJDFVATGTK-UHFFFAOYSA-N 0 0 292.338 4.073 10 0 CIAERN Cc1ccc(C(=O)c2c[nH]c3ccc(F)cc3c2=S)cc1 ZINC000085346431 179029277 /nfs/dbraw/zinc/02/92/77/179029277.db2.gz YOGBKZLMYIPVJU-UHFFFAOYSA-N 0 0 297.354 4.202 10 0 CIAERN CCC(=O)CCc1cc(C)cc(C(C)(C)C)c1OC ZINC000098130823 185691777 /nfs/dbraw/zinc/69/17/77/185691777.db2.gz WAJGSTKLRGHDRU-UHFFFAOYSA-N 0 0 262.393 4.213 10 0 CIAERN Nc1cnc(Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000098146136 185693864 /nfs/dbraw/zinc/69/38/64/185693864.db2.gz YGWFVRJWTOZRPA-UHFFFAOYSA-N 0 0 288.565 4.368 10 0 CIAERN Cc1ccc([C@H]2CC(=O)c3cc(Cl)ccc32)cc1 ZINC000098178978 185698296 /nfs/dbraw/zinc/69/82/96/185698296.db2.gz SSFBBNNUFIUNDK-CQSZACIVSA-N 0 0 256.732 4.367 10 0 CIAERN FC(F)(F)C(SCc1ccccc1)C(F)(F)F ZINC000098210509 185699985 /nfs/dbraw/zinc/69/99/85/185699985.db2.gz XGJQIPCZOPPSFE-UHFFFAOYSA-N 0 0 274.229 4.413 10 0 CIAERN c1ccc(N2CCCCC2)c(NC2CCCCC2)c1 ZINC000020000490 136579982 /nfs/dbraw/zinc/57/99/82/136579982.db2.gz JMRODTUQWURERP-UHFFFAOYSA-N 0 0 258.409 4.422 10 0 CIAERN CCCn1c(N)c(-c2ccccc2Cl)nc1C1CC1 ZINC000103500754 185845616 /nfs/dbraw/zinc/84/56/16/185845616.db2.gz KZNYGBXCQRGSCQ-UHFFFAOYSA-N 0 0 275.783 4.073 10 0 CIAERN CC(C)c1nnc(Cl)n1[C@@H](C)c1cccc(Cl)c1 ZINC000103927275 185863371 /nfs/dbraw/zinc/86/33/71/185863371.db2.gz NBWZKKUFNPMVFK-VIFPVBQESA-N 0 0 284.190 4.318 10 0 CIAERN Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1Cl ZINC000103937224 185864774 /nfs/dbraw/zinc/86/47/74/185864774.db2.gz JBQBCCXOZYXYIX-UHFFFAOYSA-N 0 0 278.689 4.470 10 0 CIAERN CC(C)(C)O[C@H]1CCCCCCCCCC[C@H]1O ZINC000103983034 185875271 /nfs/dbraw/zinc/87/52/71/185875271.db2.gz DKDUMUUCMIQIKI-CABCVRRESA-N 0 0 256.430 4.446 10 0 CIAERN Fc1cc(NCCCOc2ccccc2)ccc1Cl ZINC000104013928 185882135 /nfs/dbraw/zinc/88/21/35/185882135.db2.gz DZNPEWZRZPQIRZ-UHFFFAOYSA-N 0 0 279.742 4.360 10 0 CIAERN COc1ccc(Cl)c(NCCCc2ccccc2)c1 ZINC000103983810 185875534 /nfs/dbraw/zinc/87/55/34/185875534.db2.gz DKCTWNQWYKYFOD-UHFFFAOYSA-N 0 0 275.779 4.393 10 0 CIAERN CCNc1nc(C(C)(C)C)nc2sc(C)c(C)c21 ZINC000103984994 185875579 /nfs/dbraw/zinc/87/55/79/185875579.db2.gz PNTPTWMLXNBNKY-UHFFFAOYSA-N 0 0 263.410 4.037 10 0 CIAERN CCNc1cc(C(C)C)nc(-c2ccccc2Cl)n1 ZINC000103988531 185876151 /nfs/dbraw/zinc/87/61/51/185876151.db2.gz MEZLRVXJMPWNGT-UHFFFAOYSA-N 0 0 275.783 4.352 10 0 CIAERN Cc1ccc(SCc2c(N)cccc2F)c(C)c1 ZINC000104056525 185886815 /nfs/dbraw/zinc/88/68/15/185886815.db2.gz LQFQJGVJMTZVPB-UHFFFAOYSA-N 0 0 261.365 4.317 10 0 CIAERN CC(C)CCCn1c(=S)[nH]c2cccc(Cl)c21 ZINC000104162578 185914346 /nfs/dbraw/zinc/91/43/46/185914346.db2.gz RXZXLSKPXWILGX-UHFFFAOYSA-N 0 0 268.813 4.415 10 0 CIAERN CCNc1nc2c(F)ccc(Cl)c2cc1CC ZINC000104169251 185916575 /nfs/dbraw/zinc/91/65/75/185916575.db2.gz VXZJZRYSMIPWBO-UHFFFAOYSA-N 0 0 252.720 4.022 10 0 CIAERN CCCc1c(Cl)ncnc1NC[C@H]1CCCC[C@@H]1C ZINC000104204522 185930156 /nfs/dbraw/zinc/93/01/56/185930156.db2.gz YTXYNXJWGWRYIW-NWDGAFQWSA-N 0 0 281.831 4.321 10 0 CIAERN CCCc1c(Cl)ncnc1N(CC)CC(CC)CC ZINC000104205728 185930918 /nfs/dbraw/zinc/93/09/18/185930918.db2.gz MRTRKANKXNYULC-UHFFFAOYSA-N 0 0 283.847 4.345 10 0 CIAERN CC(C)c1c(Cl)ncnc1N[C@@H](C)Cc1ccsc1 ZINC000104227929 185936561 /nfs/dbraw/zinc/93/65/61/185936561.db2.gz ZMHPZZZKQKKUMN-JTQLQIEISA-N 0 0 295.839 4.358 10 0 CIAERN C[C@H](O)c1ccc(SCc2ccccc2)c(F)c1 ZINC000104293493 185958033 /nfs/dbraw/zinc/95/80/33/185958033.db2.gz UXJHQBXFNVQBBJ-NSHDSACASA-N 0 0 262.349 4.171 10 0 CIAERN Clc1cncc2nc(COCc3ccccc3)sc21 ZINC000089229261 179758310 /nfs/dbraw/zinc/75/83/10/179758310.db2.gz VOVOTYZSKZUDQE-UHFFFAOYSA-N 0 0 290.775 4.062 10 0 CIAERN Oc1ccc(CO[C@H]2CCC=CCCC2)c2cccnc12 ZINC000090712846 180028377 /nfs/dbraw/zinc/02/83/77/180028377.db2.gz URVDBASMIMOTHZ-HNNXBMFYSA-N 0 0 283.371 4.346 10 0 CIAERN COc1cccc(-c2c(C)oc3cc(OC)cc(OC)c32)c1 ZINC000090554760 180002568 /nfs/dbraw/zinc/00/25/68/180002568.db2.gz NSSKJXVCOPJXGQ-UHFFFAOYSA-N 0 0 298.338 4.434 10 0 CIAERN CCC(CC)[C@H](C)Nc1ccc2scnc2c1N ZINC000104437255 186001476 /nfs/dbraw/zinc/00/14/76/186001476.db2.gz HMQAJLVEXDHRET-VIFPVBQESA-N 0 0 263.410 4.115 10 0 CIAERN CCC(CC)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000104439659 186001987 /nfs/dbraw/zinc/00/19/87/186001987.db2.gz CKCOHGMAJDTPIV-SNVBAGLBSA-N 0 0 298.224 4.004 10 0 CIAERN O=C(Oc1ccccc1)N1CCC(C2CCCC2)CC1 ZINC000090635770 180016323 /nfs/dbraw/zinc/01/63/23/180016323.db2.gz HZUVFLIXMGUMTC-UHFFFAOYSA-N 0 0 273.376 4.088 10 0 CIAERN C(=C/Cc1ccccc1)\CCCO[C@H]1CCCCO1 ZINC000090755002 180036329 /nfs/dbraw/zinc/03/63/29/180036329.db2.gz RUCZBIDWFAGUNM-NZURWCHMSA-N 0 0 260.377 4.109 10 0 CIAERN c1ccc2cc(NCCOC3CCCC3)ccc2c1 ZINC000104446513 186004856 /nfs/dbraw/zinc/00/48/56/186004856.db2.gz OZTPBGYDFUIZKM-UHFFFAOYSA-N 0 0 255.361 4.211 10 0 CIAERN COc1ccc([C@H](O)C[C@@H](C)C(C)(C)C)cc1Cl ZINC000104450180 186006523 /nfs/dbraw/zinc/00/65/23/186006523.db2.gz FCYWSDMDDLBUIF-ZWNOBZJWSA-N 0 0 270.800 4.454 10 0 CIAERN COc1ccccc1CSc1cc(Cl)ccn1 ZINC000091362045 180141532 /nfs/dbraw/zinc/14/15/32/180141532.db2.gz RYOQHZBHPDDUIT-UHFFFAOYSA-N 0 0 265.765 4.036 10 0 CIAERN Cc1[nH]nc2nc3c(C)cc(Cl)cc3c(Cl)c12 ZINC000091690876 180227256 /nfs/dbraw/zinc/22/72/56/180227256.db2.gz MJWHQNGMNGYFQC-UHFFFAOYSA-N 0 0 266.131 4.035 10 0 CIAERN Cc1cccc2nc(Br)c(-c3ccccc3)n21 ZINC000091690997 180227594 /nfs/dbraw/zinc/22/75/94/180227594.db2.gz CLPZZNUQUPTXLM-UHFFFAOYSA-N 0 0 287.160 4.072 10 0 CIAERN O[C@@H](CC1CCCC1)C1(c2ccccc2)CCCC1 ZINC000110446453 186296561 /nfs/dbraw/zinc/29/65/61/186296561.db2.gz AMKCTJYKIXFENQ-KRWDZBQOSA-N 0 0 258.405 4.440 10 0 CIAERN Fc1ccc(I)cc1-c1ccccc1 ZINC000112734399 186527584 /nfs/dbraw/zinc/52/75/84/186527584.db2.gz HCURLSBSEGHRNC-UHFFFAOYSA-N 0 0 298.098 4.097 10 0 CIAERN Fc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226247160 189770653 /nfs/dbraw/zinc/77/06/53/189770653.db2.gz UKDQTRVNONGHSU-UHFFFAOYSA-N 0 0 278.286 4.425 10 0 CIAERN CCNc1cc2nc(-c3cccc(OC)c3)oc2c(C)c1 ZINC000226283585 189771355 /nfs/dbraw/zinc/77/13/55/189771355.db2.gz PODIBIOEPVARJG-UHFFFAOYSA-N 0 0 282.343 4.244 10 0 CIAERN C[C@H](Nc1cccc2c1CCCC2)c1cscn1 ZINC000164970689 261362204 /nfs/dbraw/zinc/36/22/04/261362204.db2.gz WKGGMUPPRLHKEK-NSHDSACASA-N 0 0 258.390 4.195 10 0 CIAERN Clc1nssc1=Nc1cc(Cl)cc(Cl)c1 ZINC000254288752 189995437 /nfs/dbraw/zinc/99/54/37/189995437.db2.gz AWNAXGVHEDOMLA-UHFFFAOYSA-N 0 0 297.619 4.397 10 0 CIAERN CCn1ccsc1=Nc1ccc(Cl)cc1Cl ZINC000256012236 190001521 /nfs/dbraw/zinc/00/15/21/190001521.db2.gz XXAFEBFOWLTJTM-UHFFFAOYSA-N 0 0 273.188 4.109 10 0 CIAERN CCOc1ccccc1Nc1ncnc2sc(C)c(C)c21 ZINC000000223280 169579705 /nfs/dbraw/zinc/57/97/05/169579705.db2.gz BTBXWOUOHZZTDJ-UHFFFAOYSA-N 0 0 299.399 4.450 10 0 CIAERN O=C(Nc1ccccn1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004019271 184528306 /nfs/dbraw/zinc/52/83/06/184528306.db2.gz JEFYUQOHMAQQNI-UHFFFAOYSA-N 0 0 298.729 4.247 10 0 CIAERN Cc1cc([C@H](C)Nc2cc(F)ccc2F)c(C)o1 ZINC000020437801 184535576 /nfs/dbraw/zinc/53/55/76/184535576.db2.gz RRTKYAQWAPDBSQ-VIFPVBQESA-N 0 0 251.276 4.348 10 0 CIAERN O=C(Nc1ccccc1)Nc1cccc(Cl)c1F ZINC000051354118 184565633 /nfs/dbraw/zinc/56/56/33/184565633.db2.gz AUYSBULNSBEBFF-UHFFFAOYSA-N 0 0 264.687 4.123 10 0 CIAERN Cc1cccc(Cl)c1NC(=O)Nc1ccccc1 ZINC000051354121 184565710 /nfs/dbraw/zinc/56/57/10/184565710.db2.gz KYLJXQHNPYDIJC-UHFFFAOYSA-N 0 0 260.724 4.292 10 0 CIAERN Cc1cscc1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000093050701 262215158 /nfs/dbraw/zinc/21/51/58/262215158.db2.gz SZRNNUHTLDBEKI-MRVPVSSYSA-N 0 0 285.821 4.262 10 0 CIAERN Cc1cc(O)ccc1NCc1ccc(Cl)c(F)c1 ZINC000080359527 177645452 /nfs/dbraw/zinc/64/54/52/177645452.db2.gz JZHPCEQNGZVGPF-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN CSc1cc(C(=O)N[C@H](C)c2cccs2)ccc1F ZINC000179636531 260061070 /nfs/dbraw/zinc/06/10/70/260061070.db2.gz HMWYIRLLRSHKND-SECBINFHSA-N 0 0 295.404 4.100 10 0 CIAERN CSc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1F ZINC000179636521 260061144 /nfs/dbraw/zinc/06/11/44/260061144.db2.gz HMWYIRLLRSHKND-VIFPVBQESA-N 0 0 295.404 4.100 10 0 CIAERN CSc1ccc(CN(C(C)C)C(F)(F)F)cc1 ZINC000095076628 184935678 /nfs/dbraw/zinc/93/56/78/184935678.db2.gz GFCUDJIIBFGUNA-UHFFFAOYSA-N 0 0 263.328 4.139 10 0 CIAERN CC[C@@H](C)SCC(=O)c1cccc(C(F)(F)F)c1 ZINC000095081961 184938481 /nfs/dbraw/zinc/93/84/81/184938481.db2.gz UNKDMUVIWOXOKP-SECBINFHSA-N 0 0 276.323 4.420 10 0 CIAERN C[C@@H](CCC1CCCC1)Nc1nc2ccccc2c(=O)[nH]1 ZINC000301369144 533524425 /nfs/dbraw/zinc/52/44/25/533524425.db2.gz SBVUGNVSCGEPRE-LBPRGKRZSA-N 0 0 285.391 4.106 10 0 CIAERN C[C@@H]1Cc2ccccc2N(c2cnc3ccccc3c2)C1=O ZINC000090377144 134508833 /nfs/dbraw/zinc/50/88/33/134508833.db2.gz JPTKQMDRHOYEDG-CYBMUJFWSA-N 0 0 288.350 4.092 10 0 CIAERN CC1(C)CCN(c2ccccc2N)c2ccccc21 ZINC000090600857 134509801 /nfs/dbraw/zinc/50/98/01/134509801.db2.gz GUQWGICMCHDXLM-UHFFFAOYSA-N 0 0 252.361 4.088 10 0 CIAERN Cc1ccc2c(c1)CCCN2CC(=O)c1ccc(Cl)cc1 ZINC000035036651 134787429 /nfs/dbraw/zinc/78/74/29/134787429.db2.gz HXHALHKQZZUNCA-UHFFFAOYSA-N 0 0 299.801 4.284 10 0 CIAERN CC(=O)c1c(F)cccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035164285 134788913 /nfs/dbraw/zinc/78/89/13/134788913.db2.gz OVHPNSOCEJLNPL-ZFWWWQNUSA-N 0 0 275.367 4.187 10 0 CIAERN CC(=O)c1cc(F)ccc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC000035164307 134789061 /nfs/dbraw/zinc/78/90/61/134789061.db2.gz OJIZZBILXCZAFY-ZIAGYGMSSA-N 0 0 275.367 4.045 10 0 CIAERN O=Cc1c(Cl)cccc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC000036810240 134824088 /nfs/dbraw/zinc/82/40/88/134824088.db2.gz GTQFIUHZUCNXRQ-CHWSQXEVSA-N 0 0 277.795 4.169 10 0 CIAERN CCCCC[C@H]1[C@H](C)C1(Br)Br ZINC000002144942 169776779 /nfs/dbraw/zinc/77/67/79/169776779.db2.gz LNIYJPDSCQXEEQ-YUMQZZPRSA-N 0 0 284.035 4.319 10 0 CIAERN Cc1cccc(OC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000003103970 169856398 /nfs/dbraw/zinc/85/63/98/169856398.db2.gz COSVFDZKZGZHNZ-JXMROGBWSA-N 0 0 272.731 4.267 10 0 CIAERN CCOC(=O)c1[nH]c2ccccc2c1Sc1ccccc1 ZINC000003654309 169906347 /nfs/dbraw/zinc/90/63/47/169906347.db2.gz QLGKDEPKENNHHT-UHFFFAOYSA-N 0 0 297.379 4.496 10 0 CIAERN O=Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000003676340 169907191 /nfs/dbraw/zinc/90/71/91/169907191.db2.gz NKRAPQLCDKHLBI-UHFFFAOYSA-N 0 0 265.337 4.290 10 0 CIAERN Oc1cc2c(cc1CCCSc1ccccc1)OCC2 ZINC000003804772 169913651 /nfs/dbraw/zinc/91/36/51/169913651.db2.gz PLXLXVWMGWDNSB-UHFFFAOYSA-N 0 0 286.396 4.052 10 0 CIAERN Cc1ccc2c(c1)oc(-c1ccccc1C)cc2=O ZINC000003898670 169922131 /nfs/dbraw/zinc/92/21/31/169922131.db2.gz SPKQKUXBDBXVFL-UHFFFAOYSA-N 0 0 250.297 4.077 10 0 CIAERN CCCc1cn([C@H]2OC(=O)c3ccccc32)c2ccccc12 ZINC000005052659 170061882 /nfs/dbraw/zinc/06/18/82/170061882.db2.gz LPTZNUAVYYEXQN-SFHVURJKSA-N 0 0 291.350 4.311 10 0 CIAERN CC(C)(C)c1nc(-c2ccccc2)c(-c2cccnc2)[nH]1 ZINC000005114329 170067298 /nfs/dbraw/zinc/06/72/98/170067298.db2.gz CEOUDUCITJEQQT-UHFFFAOYSA-N 0 0 277.371 4.436 10 0 CIAERN Cc1ccc(CCOc2ccnc3c(F)cccc23)cc1 ZINC000005116268 170067953 /nfs/dbraw/zinc/06/79/53/170067953.db2.gz LHFMQFMBVAJWLE-UHFFFAOYSA-N 0 0 281.330 4.304 10 0 CIAERN CC(C)(C)C1CCC([S@](=O)c2ccccc2)CC1 ZINC000005124749 170068300 /nfs/dbraw/zinc/06/83/00/170068300.db2.gz JXHBFOUDFANFLZ-RWKZGTHUSA-N 0 0 264.434 4.399 10 0 CIAERN CC(=O)Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000005160701 170072309 /nfs/dbraw/zinc/07/23/09/170072309.db2.gz DAFSIDRUIBBINP-NSCUHMNNSA-N 0 0 271.747 4.469 10 0 CIAERN CC(=O)Nc1nc(-c2ccccc2)c(C(C)(C)C)s1 ZINC000005283614 170082749 /nfs/dbraw/zinc/08/27/49/170082749.db2.gz BUDXUEJTGJMTFZ-UHFFFAOYSA-N 0 0 274.389 4.066 10 0 CIAERN CCOC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000005333885 170086650 /nfs/dbraw/zinc/08/66/50/170086650.db2.gz SFPKDAVPZYRUFZ-UHFFFAOYSA-N 0 0 297.379 4.448 10 0 CIAERN Cc1ccc([C@@H](O)[C@H](c2ccccc2)n2cccc2)cc1 ZINC000005416669 170096428 /nfs/dbraw/zinc/09/64/28/170096428.db2.gz AMDCAOGVRMRURX-RBUKOAKNSA-N 0 0 277.367 4.120 10 0 CIAERN CC(=O)C1c2cc(C)ccc2CCc2ccc(C)cc21 ZINC000005417903 170096845 /nfs/dbraw/zinc/09/68/45/170096845.db2.gz UBWLTMHBPVOLCB-UHFFFAOYSA-N 0 0 264.368 4.123 10 0 CIAERN CC(=O)O[C@]12CCC[C@](C)(C1)CC[C@@H]1[C@@H]2CC1(C)C ZINC000005438241 170098947 /nfs/dbraw/zinc/09/89/47/170098947.db2.gz SJDDHMSVZMBJPH-YQFWSFKMSA-N 0 0 264.409 4.325 10 0 endogenous,in-man CIAERN Cc1nc2ccccc2n1C(=O)Nc1cccc(Cl)c1 ZINC000005530356 170109341 /nfs/dbraw/zinc/10/93/41/170109341.db2.gz JPIHGWYLOUHLMG-UHFFFAOYSA-N 0 0 285.734 4.078 10 0 CIAERN Cc1ccc(/C=C/C(=O)NCCc2cccc(Cl)c2)cc1 ZINC000005539645 170110777 /nfs/dbraw/zinc/11/07/77/170110777.db2.gz MCRSOTBABYMIDH-MDZDMXLPSA-N 0 0 299.801 4.021 10 0 CIAERN CCn1cnc2scc(-c3ccc(C(C)C)cc3)c2c1=O ZINC000005556608 170112884 /nfs/dbraw/zinc/11/28/84/170112884.db2.gz UZZRVTYWVKDXCO-UHFFFAOYSA-N 0 0 298.411 4.268 10 0 CIAERN CCOc1ccc(Nc2nnc(Cl)c3ccccc32)cc1 ZINC000005585890 170116192 /nfs/dbraw/zinc/11/61/92/170116192.db2.gz LBXOHHYOBXTAON-UHFFFAOYSA-N 0 0 299.761 4.426 10 0 CIAERN CCN(c1ccccc1)c1nnc(Cl)c2ccccc21 ZINC000005585486 170116258 /nfs/dbraw/zinc/11/62/58/170116258.db2.gz MYCKYLGPAHCZJT-UHFFFAOYSA-N 0 0 283.762 4.441 10 0 CIAERN CCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000005591058 170117100 /nfs/dbraw/zinc/11/71/00/170117100.db2.gz CMPCYWOGPRDLGK-CYBMUJFWSA-N 0 0 291.391 4.018 10 0 CIAERN Cc1cc(C)c2c(NC(=O)c3ccccc3)csc2n1 ZINC000005658950 170124673 /nfs/dbraw/zinc/12/46/73/170124673.db2.gz BDBOYFDJZALQRS-UHFFFAOYSA-N 0 0 282.368 4.165 10 0 CIAERN CCCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000005821414 170144064 /nfs/dbraw/zinc/14/40/64/170144064.db2.gz BVZWLEASLFETCA-VIFPVBQESA-N 0 0 291.174 4.104 10 0 CIAERN CC(C)(C)c1ccc(/C=C\C(=O)NCc2ccccc2)cc1 ZINC000005856836 170147657 /nfs/dbraw/zinc/14/76/57/170147657.db2.gz WBJPQTLFTZGYCV-KAMYIIQDSA-N 0 0 293.410 4.314 10 0 CIAERN CCCCOc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000005862270 170148138 /nfs/dbraw/zinc/14/81/38/170148138.db2.gz TUCADDONBVTXPO-UHFFFAOYSA-N 0 0 287.334 4.257 10 0 CIAERN CC(C)c1ccc(/C=C\C(=O)NCc2ccc(F)cc2)cc1 ZINC000005862388 170148186 /nfs/dbraw/zinc/14/81/86/170148186.db2.gz QRCZUXSZHJWOOS-GHXNOFRVSA-N 0 0 297.373 4.279 10 0 CIAERN CCC(CC)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005917482 170155619 /nfs/dbraw/zinc/15/56/19/170155619.db2.gz PVFTYDRDGNYAQU-IHWZXDPASA-N 0 0 277.452 4.144 10 0 CIAERN CCN(C(=O)/C(C)=C\c1ccccc1)C1CCCCC1 ZINC000005925483 170155729 /nfs/dbraw/zinc/15/57/29/170155729.db2.gz RYSFBTNLBJUQGD-PFONDFGASA-N 0 0 271.404 4.271 10 0 CIAERN CCCCCCOc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000005951190 170161092 /nfs/dbraw/zinc/16/10/92/170161092.db2.gz PRPUDHDEFNSRCU-AWEZNQCLSA-N 0 0 277.408 4.174 10 0 CIAERN CCCCCCN(CCCCCC)C(=O)C1CC1 ZINC000006042049 170171003 /nfs/dbraw/zinc/17/10/03/170171003.db2.gz TYYRCIALGZPLAR-UHFFFAOYSA-N 0 0 253.430 4.386 10 0 CIAERN COc1cccc(-c2nnc(-c3ccc(Cl)cc3C)[nH]2)c1 ZINC000006070164 170173637 /nfs/dbraw/zinc/17/36/37/170173637.db2.gz JQVCKQSNWIUGRF-UHFFFAOYSA-N 0 0 299.761 4.109 10 0 CIAERN C[C@H](SCc1ccccc1)C(=O)c1ccccc1 ZINC000006182892 170181323 /nfs/dbraw/zinc/18/13/23/170181323.db2.gz MTEYHXBWCDUMOT-ZDUSSCGKSA-N 0 0 256.370 4.191 10 0 CIAERN O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1 ZINC000006222792 170183738 /nfs/dbraw/zinc/18/37/38/170183738.db2.gz SUWXJVUKTJLPDJ-UHFFFAOYSA-N 0 0 283.714 4.107 10 0 CIAERN C[C@H](Nc1ccc2ccccc2c1)C(=O)NC1CCCCC1 ZINC000006285208 170188408 /nfs/dbraw/zinc/18/84/08/170188408.db2.gz MIHYUOJVHOFEML-AWEZNQCLSA-N 0 0 296.414 4.089 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000006301846 170189354 /nfs/dbraw/zinc/18/93/54/170189354.db2.gz PEAZSVAAOGKKJD-ZRDIBKRKSA-N 0 0 271.747 4.382 10 0 CIAERN Cc1ccc2sc(NC(=O)c3ccccc3C)nc2c1C ZINC000006302770 170189469 /nfs/dbraw/zinc/18/94/69/170189469.db2.gz BXESBVSQRJWSEK-UHFFFAOYSA-N 0 0 296.395 4.474 10 0 CIAERN C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000006335721 170193338 /nfs/dbraw/zinc/19/33/38/170193338.db2.gz BJYDJCIFKDFFGN-SNVBAGLBSA-N 0 0 294.181 4.484 10 0 CIAERN COc1cccc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000006372540 170195997 /nfs/dbraw/zinc/19/59/97/170195997.db2.gz RXAYTGJAPSFGRG-KPKJPENVSA-N 0 0 295.382 4.471 10 0 CIAERN COc1cc(C)ccc1NC(=O)/C(C)=C/c1ccccc1 ZINC000006478506 170204479 /nfs/dbraw/zinc/20/44/79/170204479.db2.gz AYHJITNARCZYTM-WYMLVPIESA-N 0 0 281.355 4.046 10 0 CIAERN C/C(=C\c1ccccc1)C(=O)Nc1cccc(C)c1 ZINC000006523014 170209490 /nfs/dbraw/zinc/20/94/90/170209490.db2.gz AJCOGZKZQWFQNJ-WYMLVPIESA-N 0 0 251.329 4.037 10 0 CIAERN CC(C)c1ccccc1NC(=S)N1CCCCCC1 ZINC000006541172 170211867 /nfs/dbraw/zinc/21/18/67/170211867.db2.gz FMGPIMBUYWLAGR-UHFFFAOYSA-N 0 0 276.449 4.383 10 0 CIAERN Cc1ccc(C)c(-c2csc(NCC(C)C)n2)c1 ZINC000006671384 170225004 /nfs/dbraw/zinc/22/50/04/170225004.db2.gz HSDFSGDPSNCJRE-UHFFFAOYSA-N 0 0 260.406 4.495 10 0 CIAERN COc1ccc(C(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 ZINC000006814820 170246295 /nfs/dbraw/zinc/24/62/95/170246295.db2.gz NPUJLKYURKSOOV-CYBMUJFWSA-N 0 0 286.396 4.367 10 0 CIAERN CCC(=O)c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000006856430 170249651 /nfs/dbraw/zinc/24/96/51/170249651.db2.gz LEWSFCBRPXUGJA-UHFFFAOYSA-N 0 0 284.746 4.247 10 0 CIAERN CC[C@H](C)c1ccccc1NC(=S)NCc1ccco1 ZINC000006940458 170257170 /nfs/dbraw/zinc/25/71/70/170257170.db2.gz RSSKGZQZWSUNMA-LBPRGKRZSA-N 0 0 288.416 4.280 10 0 CIAERN Cc1ccc(NC(=S)Nc2ncccc2C)cc1Cl ZINC000007367999 170279955 /nfs/dbraw/zinc/27/99/55/170279955.db2.gz PZPACXROVZMGTG-UHFFFAOYSA-N 0 0 291.807 4.161 10 0 CIAERN O=C(CSCc1cccs1)Nc1ccc(Cl)cc1 ZINC000007401016 170283007 /nfs/dbraw/zinc/28/30/07/170283007.db2.gz VAYUHCDVFYVQNX-UHFFFAOYSA-N 0 0 297.832 4.273 10 0 CIAERN CCOc1ccc(NC(=O)/C=C/c2ccccc2C)cc1 ZINC000007639609 170294993 /nfs/dbraw/zinc/29/49/93/170294993.db2.gz TYOGQNGJGVLPLF-MDWZMJQESA-N 0 0 281.355 4.046 10 0 CIAERN CC(C)COc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000007650054 170295323 /nfs/dbraw/zinc/29/53/23/170295323.db2.gz PJQJBLQMTHDRNJ-MDWZMJQESA-N 0 0 295.382 4.373 10 0 CIAERN O=C(Nc1cccc(Cl)c1F)c1cc2ccccc2[nH]1 ZINC000008015842 170313706 /nfs/dbraw/zinc/31/37/06/170313706.db2.gz VMKKVUHRMWTKMS-UHFFFAOYSA-N 0 0 288.709 4.213 10 0 CIAERN CCc1ccc(O[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000008106830 170319210 /nfs/dbraw/zinc/31/92/10/170319210.db2.gz NQUQSFQQASMPQF-OAHLLOKOSA-N 0 0 297.398 4.272 10 0 CIAERN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000008106223 170319329 /nfs/dbraw/zinc/31/93/29/170319329.db2.gz NKUHIMLIEBNWRP-HNNXBMFYSA-N 0 0 297.398 4.272 10 0 CIAERN CCOc1ccccc1/C=C/C(=O)Nc1cccc(C)c1 ZINC000008206652 170324281 /nfs/dbraw/zinc/32/42/81/170324281.db2.gz FLGQNLKQVIHCMU-VAWYXSNFSA-N 0 0 281.355 4.046 10 0 CIAERN O=C(Nc1ccc(O)cc1)c1ccc(-c2cccs2)cc1 ZINC000008514746 170338881 /nfs/dbraw/zinc/33/88/81/170338881.db2.gz RDSWGAXWHFCONI-UHFFFAOYSA-N 0 0 295.363 4.373 10 0 CIAERN CC(C)n1c2ccccc2nc1-c1ccccc1F ZINC000008787475 170355836 /nfs/dbraw/zinc/35/58/36/170355836.db2.gz QPNVCJIORRKHFR-UHFFFAOYSA-N 0 0 254.308 4.423 10 0 CIAERN Cc1cc(C=O)c(C)n1Cc1ccc(Cl)cc1Cl ZINC000009246036 170368356 /nfs/dbraw/zinc/36/83/56/170368356.db2.gz HPELMDOEWOKEKL-UHFFFAOYSA-N 0 0 282.170 4.273 10 0 CIAERN COc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1)N2 ZINC000009280371 170369981 /nfs/dbraw/zinc/36/99/81/170369981.db2.gz BOXJBHWRTFJCKG-AYOQOUSVSA-N 0 0 295.382 4.330 10 0 CIAERN CC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527160 170380283 /nfs/dbraw/zinc/38/02/83/170380283.db2.gz GNGYHTAHDGKLJD-SECBINFHSA-N 0 0 291.441 4.104 10 0 CIAERN C[C@@H]1CCCCN1CC(=O)c1ccc(Cl)cc1Cl ZINC000009998361 170393931 /nfs/dbraw/zinc/39/39/31/170393931.db2.gz PGPKWNITEFXMDR-SNVBAGLBSA-N 0 0 286.202 4.051 10 0 CIAERN CCOc1cccc(-c2nc3ccccc3s2)c1 ZINC000010109824 170397743 /nfs/dbraw/zinc/39/77/43/170397743.db2.gz DTNDSVZUQBAPAK-UHFFFAOYSA-N 0 0 255.342 4.362 10 0 CIAERN Cc1nn(C(=O)c2ccc(-c3ccccc3)cc2)c(C)c1C ZINC000010155513 170399134 /nfs/dbraw/zinc/39/91/34/170399134.db2.gz IFYILWBZGMPDIP-UHFFFAOYSA-N 0 0 290.366 4.164 10 0 CIAERN CCOc1ccccc1C(=O)Nc1cccc(OC(C)C)c1 ZINC000010715485 170410833 /nfs/dbraw/zinc/41/08/33/170410833.db2.gz NFCAWCDQZOPDSC-UHFFFAOYSA-N 0 0 299.370 4.125 10 0 CIAERN OC[C@@H](Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000011734638 170436621 /nfs/dbraw/zinc/43/66/21/170436621.db2.gz HWVBOIJOPHCLOP-GFCCVEGCSA-N 0 0 281.182 4.312 10 0 CIAERN CCc1ccccc1NC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000013826692 170601095 /nfs/dbraw/zinc/60/10/95/170601095.db2.gz AVWLIXUVMSNGGW-BETUJISGSA-N 0 0 276.449 4.209 10 0 CIAERN Cc1cc(C)cc(NC(=O)OCc2ccccc2)c1 ZINC000014000753 170615133 /nfs/dbraw/zinc/61/51/33/170615133.db2.gz YGAXHLKUUINVKX-UHFFFAOYSA-N 0 0 255.317 4.052 10 0 CIAERN Cc1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 ZINC000014638922 170640989 /nfs/dbraw/zinc/64/09/89/170640989.db2.gz YFAKSEGURUDAEV-OAHLLOKOSA-N 0 0 283.371 4.018 10 0 CIAERN Cc1ccccc1C(=O)Oc1ccccc1C(C)C ZINC000014776846 170644883 /nfs/dbraw/zinc/64/48/83/170644883.db2.gz MDJISYHIHQDQFC-UHFFFAOYSA-N 0 0 254.329 4.338 10 0 CIAERN Cc1ccc(OC(=O)c2ccccc2OC(C)C)cc1C ZINC000014782915 170645297 /nfs/dbraw/zinc/64/52/97/170645297.db2.gz RELYZSBOFRVXNM-UHFFFAOYSA-N 0 0 284.355 4.310 10 0 CIAERN O=C(CC1CCCC1)Nc1nc2cc(Cl)ccc2o1 ZINC000015783127 170677372 /nfs/dbraw/zinc/67/73/72/170677372.db2.gz QXFNONNLQZPIAQ-UHFFFAOYSA-N 0 0 278.739 4.000 10 0 in-vitro CIAERN C[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1Cl ZINC000016017659 170684949 /nfs/dbraw/zinc/68/49/49/170684949.db2.gz UXPYYJASRNUARN-JTQLQIEISA-N 0 0 294.181 4.484 10 0 CIAERN CC(C)c1ccccc1NC(=O)c1ccc(Cl)cc1N ZINC000019274930 170769143 /nfs/dbraw/zinc/76/91/43/170769143.db2.gz SYGPAIKPGGVKQC-UHFFFAOYSA-N 0 0 288.778 4.298 10 0 CIAERN Nc1ccccc1SCc1ccccc1Br ZINC000019426809 170795573 /nfs/dbraw/zinc/79/55/73/170795573.db2.gz WDQCMKZWEZTLSW-UHFFFAOYSA-N 0 0 294.217 4.324 10 0 CIAERN Cc1cc(OCc2ccccc2N)ccc1C(C)C ZINC000019803196 170871957 /nfs/dbraw/zinc/87/19/57/170871957.db2.gz VWTIZXPEBFRSDQ-UHFFFAOYSA-N 0 0 255.361 4.280 10 0 CIAERN O=C(CCC1CCCCC1)Nc1cccc2c1NCCC2 ZINC000019803460 170872421 /nfs/dbraw/zinc/87/24/21/170872421.db2.gz LKSLHHIHDKZWFH-UHFFFAOYSA-N 0 0 286.419 4.344 10 0 CIAERN NC(=S)CCCOc1cc(Cl)c(Cl)cc1Cl ZINC000019806195 170875085 /nfs/dbraw/zinc/87/50/85/170875085.db2.gz YIZLVAGSPXJUIS-UHFFFAOYSA-N 0 0 298.622 4.092 10 0 CIAERN CCc1ccc(COc2ccc(CCC(C)=O)cc2)s1 ZINC000019806471 170875439 /nfs/dbraw/zinc/87/54/39/170875439.db2.gz GNLSWMANUPTXFU-UHFFFAOYSA-N 0 0 288.412 4.411 10 0 CIAERN Nc1ccc2oc(-c3cc4c(s3)CCCC4)nc2c1 ZINC000019835260 170884337 /nfs/dbraw/zinc/88/43/37/170884337.db2.gz PPBBNSBAYLHYIK-UHFFFAOYSA-N 0 0 270.357 4.017 10 0 CIAERN Nc1cccc(Cl)c1OCc1ccccc1Cl ZINC000019845792 170894075 /nfs/dbraw/zinc/89/40/75/170894075.db2.gz WRDLTUWMSYTGKC-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN CCOc1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC000019871418 170901815 /nfs/dbraw/zinc/90/18/15/170901815.db2.gz DBCSGJRKFOXWAH-UHFFFAOYSA-N 0 0 256.301 4.080 10 0 CIAERN CC(C)Oc1ccc([C@H](C)Nc2cccnc2)cc1 ZINC000019884434 170909119 /nfs/dbraw/zinc/90/91/19/170909119.db2.gz LBMDHDYGUVFRRM-ZDUSSCGKSA-N 0 0 256.349 4.042 10 0 CIAERN COc1ccc(OC)c(NCc2c(F)cccc2Cl)c1 ZINC000019910718 170921517 /nfs/dbraw/zinc/92/15/17/170921517.db2.gz ZRFPDEGAEAGLSU-UHFFFAOYSA-N 0 0 295.741 4.108 10 0 CIAERN COc1ccc(OC)c(N[C@H](C)c2cc(F)ccc2F)c1 ZINC000019910698 170921673 /nfs/dbraw/zinc/92/16/73/170921673.db2.gz RRFLHRDRAQMUPK-SNVBAGLBSA-N 0 0 293.313 4.155 10 0 CIAERN C[C@@H](Nc1cccc(Br)c1)c1ccc(O)cc1 ZINC000019941727 170934251 /nfs/dbraw/zinc/93/42/51/170934251.db2.gz PKPHMFRKNGNTCM-SNVBAGLBSA-N 0 0 292.176 4.328 10 0 CIAERN C[C@H]1C[C@@H]1c1ccc(CNc2ccc(F)cc2F)o1 ZINC000019951866 170939566 /nfs/dbraw/zinc/93/95/66/170939566.db2.gz ANQAMIUYHTWGMZ-CABZTGNLSA-N 0 0 263.287 4.293 10 0 CIAERN COc1ccc([C@@H](C)Nc2cc(C)cc(C)c2)cc1OC ZINC000019953041 170940044 /nfs/dbraw/zinc/94/00/44/170940044.db2.gz LTUCVVBAOWWLRP-CQSZACIVSA-N 0 0 285.387 4.494 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000019952239 170940292 /nfs/dbraw/zinc/94/02/92/170940292.db2.gz GMGBODLRFGHPSO-MRVPVSSYSA-N 0 0 269.241 4.416 10 0 CIAERN CC[C@H](Nc1ccc(F)cc1C)c1ccc(O)cc1 ZINC000019961275 170943818 /nfs/dbraw/zinc/94/38/18/170943818.db2.gz AUWKJEKQCBGFBB-HNNXBMFYSA-N 0 0 259.324 4.403 10 0 CIAERN Cc1cc2ccccc2n1CCOc1ccccc1 ZINC000019974224 170957117 /nfs/dbraw/zinc/95/71/17/170957117.db2.gz WEKUCJCXGUCNGC-UHFFFAOYSA-N 0 0 251.329 4.029 10 0 CIAERN c1cc2c(cc1NC1CCCCCCC1)OCCCO2 ZINC000019978731 170957804 /nfs/dbraw/zinc/95/78/04/170957804.db2.gz RAUKLVGIQWNBEK-UHFFFAOYSA-N 0 0 275.392 4.373 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccc(C=O)cc1F ZINC000019980386 170958887 /nfs/dbraw/zinc/95/88/87/170958887.db2.gz IKRGDIGNZKWXRX-UHFFFAOYSA-N 0 0 264.683 4.392 10 0 CIAERN CCC(CC)CNc1ccccc1Br ZINC000019990111 170962616 /nfs/dbraw/zinc/96/26/16/170962616.db2.gz VFMWNCOPJFZIOO-UHFFFAOYSA-N 0 0 256.187 4.297 10 0 CIAERN Cc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(C)C ZINC000019992518 170962966 /nfs/dbraw/zinc/96/29/66/170962966.db2.gz HGWOLAMOXBAXDX-UHFFFAOYSA-N 0 0 298.411 4.089 10 0 CIAERN CC(=O)c1ccccc1N1c2ccccc2CC[C@H]1C ZINC000020015506 170970082 /nfs/dbraw/zinc/97/00/82/170970082.db2.gz NKGRTGLVPFNMMR-CYBMUJFWSA-N 0 0 265.356 4.362 10 0 CIAERN CCOc1ccc(Oc2cccc3c2NCCC3)cc1 ZINC000020017921 170970479 /nfs/dbraw/zinc/97/04/79/170970479.db2.gz QYXHPGXFMCNNDZ-UHFFFAOYSA-N 0 0 269.344 4.236 10 0 CIAERN O=Cc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000020079471 170985848 /nfs/dbraw/zinc/98/58/48/170985848.db2.gz QZRXTEIVZTZXKP-UHFFFAOYSA-N 0 0 266.218 4.310 10 0 CIAERN Fc1cccc(F)c1CNc1ccc2[nH]ccc2c1 ZINC000020132297 171020851 /nfs/dbraw/zinc/02/08/51/171020851.db2.gz XMPVMDHFGCMJHM-UHFFFAOYSA-N 0 0 258.271 4.058 10 0 CIAERN Clc1ccc(CNc2ccc3[nH]ccc3c2)s1 ZINC000020132859 171021134 /nfs/dbraw/zinc/02/11/34/171021134.db2.gz QAXVUOYWJSQMPU-UHFFFAOYSA-N 0 0 262.765 4.495 10 0 CIAERN Clc1ccc(CNCc2nc3ccccc3s2)cc1 ZINC000020135902 171023052 /nfs/dbraw/zinc/02/30/52/171023052.db2.gz MIUAQIFOLJVUSY-UHFFFAOYSA-N 0 0 288.803 4.240 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1ccccc1Br ZINC000020193541 171059408 /nfs/dbraw/zinc/05/94/08/171059408.db2.gz LUAKTZIBFDPBFG-SNVBAGLBSA-N 0 0 292.176 4.328 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1cccc(Br)c1 ZINC000020193378 171059506 /nfs/dbraw/zinc/05/95/06/171059506.db2.gz RVEIILPFGPYOCU-JTQLQIEISA-N 0 0 292.176 4.328 10 0 CIAERN C[C@H](Nc1cccc(O)c1)c1ccc(F)c(Cl)c1 ZINC000020194091 171059757 /nfs/dbraw/zinc/05/97/57/171059757.db2.gz VGFHJIQTTALEHT-VIFPVBQESA-N 0 0 265.715 4.358 10 0 CIAERN C[C@@H](Nc1cccc(O)c1)c1ccc2c(c1)CCC2 ZINC000020194267 171060133 /nfs/dbraw/zinc/06/01/33/171060133.db2.gz NKGCWIIOVMIOKB-GFCCVEGCSA-N 0 0 253.345 4.054 10 0 CIAERN Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1N ZINC000020220834 171081991 /nfs/dbraw/zinc/08/19/91/171081991.db2.gz TYBUVVUENLSDMZ-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN Fc1ccc(NCc2ccc3ccccc3n2)c(F)c1F ZINC000020246230 171099297 /nfs/dbraw/zinc/09/92/97/171099297.db2.gz CGDXEJNANNNIMM-UHFFFAOYSA-N 0 0 288.272 4.264 10 0 CIAERN Cc1cc(C=O)cc(C)c1OCc1ccc(Cl)cc1 ZINC000020297922 171138101 /nfs/dbraw/zinc/13/81/01/171138101.db2.gz CZRQQSOIKFWTRG-UHFFFAOYSA-N 0 0 274.747 4.348 10 0 CIAERN CC(C)c1ccc(COc2cccc(C=O)c2)cc1 ZINC000020302722 171139558 /nfs/dbraw/zinc/13/95/58/171139558.db2.gz VZSZGIYWNQMOJX-UHFFFAOYSA-N 0 0 254.329 4.202 10 0 CIAERN CC(C)[C@@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000020302673 171139682 /nfs/dbraw/zinc/13/96/82/171139682.db2.gz WYVKOLWLFKXZAY-SSDOTTSWSA-N 0 0 266.694 4.210 10 0 CIAERN COc1ccc2c(C)c(C(=O)c3cccc(F)c3)oc2c1 ZINC000020311288 171144695 /nfs/dbraw/zinc/14/46/95/171144695.db2.gz QGHUHKDZYUONBW-UHFFFAOYSA-N 0 0 284.286 4.120 10 0 CIAERN Cc1cc(N)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000020343447 171153560 /nfs/dbraw/zinc/15/35/60/171153560.db2.gz VDPOTYHQOOUVSQ-UHFFFAOYSA-N 0 0 295.169 4.136 10 0 CIAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(F)cc1 ZINC000020358660 171157282 /nfs/dbraw/zinc/15/72/82/171157282.db2.gz QLXYFQNRDDOXNG-SECBINFHSA-N 0 0 251.251 4.277 10 0 CIAERN CCCCCCNc1ccc2c(c1)OC(F)(F)O2 ZINC000020360546 171158786 /nfs/dbraw/zinc/15/87/86/171158786.db2.gz AXVKUNDLHOUAQG-UHFFFAOYSA-N 0 0 257.280 4.000 10 0 CIAERN CCOc1ccccc1C(=O)c1cc2ccccc2o1 ZINC000020369306 171167109 /nfs/dbraw/zinc/16/71/09/171167109.db2.gz DIRZXQBYPQDHJD-UHFFFAOYSA-N 0 0 266.296 4.063 10 0 CIAERN N[C@@H](c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000020369173 171167171 /nfs/dbraw/zinc/16/71/71/171167171.db2.gz YNCPWOYHBVFAGG-OAHLLOKOSA-N 0 0 257.720 4.134 10 0 CIAERN Nc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000020374727 171170128 /nfs/dbraw/zinc/17/01/28/171170128.db2.gz NCTBFFZFXFYJCW-UHFFFAOYSA-N 0 0 278.142 4.119 10 0 CIAERN C[C@H]1CCCC[C@H]1Nc1ccc(N)c(C(F)(F)F)c1 ZINC000020383693 171174453 /nfs/dbraw/zinc/17/44/53/171174453.db2.gz ZXBNSUAQUSVAKO-TVQRCGJNSA-N 0 0 272.314 4.278 10 0 CIAERN Cc1ccc2oc([C@H](N)c3ccc(Cl)cc3)cc2c1 ZINC000020389396 171178504 /nfs/dbraw/zinc/17/85/04/171178504.db2.gz ARLPELHSXGQJCU-MRXNPFEDSA-N 0 0 271.747 4.443 10 0 CIAERN Cc1cc(CO)cc(C)c1OCc1ccc(Cl)cc1 ZINC000020425069 171191392 /nfs/dbraw/zinc/19/13/92/171191392.db2.gz PLQWQCPQYOHRAL-UHFFFAOYSA-N 0 0 276.763 4.028 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccc(CO)cc1F ZINC000020435433 171201349 /nfs/dbraw/zinc/20/13/49/171201349.db2.gz ZXFLQTVRVWJBHJ-UHFFFAOYSA-N 0 0 266.699 4.072 10 0 CIAERN CC[C@H](C)c1ccccc1Oc1ccccc1CO ZINC000020435447 171201355 /nfs/dbraw/zinc/20/13/55/171201355.db2.gz PDNPKLLJBSYLFX-ZDUSSCGKSA-N 0 0 256.345 4.485 10 0 CIAERN OCc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000020435401 171201370 /nfs/dbraw/zinc/20/13/70/171201370.db2.gz JGRHNPNDKKVZPU-UHFFFAOYSA-N 0 0 269.127 4.278 10 0 CIAERN OCc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000020435426 171201434 /nfs/dbraw/zinc/20/14/34/171201434.db2.gz WXOKDDWNSBTQQD-UHFFFAOYSA-N 0 0 250.297 4.124 10 0 CIAERN Cc1ccc(Oc2cccc(Cl)c2CO)c(C)c1 ZINC000020435302 171201555 /nfs/dbraw/zinc/20/15/55/171201555.db2.gz CHNNZZOBQHMNSB-UHFFFAOYSA-N 0 0 262.736 4.241 10 0 CIAERN Cc1ccc(Nc2ccccc2C(N)=S)c(Cl)c1 ZINC000020471440 171214033 /nfs/dbraw/zinc/21/40/33/171214033.db2.gz QKBGVYADZIQBOI-UHFFFAOYSA-N 0 0 276.792 4.026 10 0 CIAERN Cc1cc([C@H](C)Nc2c(F)cccc2F)c(C)o1 ZINC000020475987 171219910 /nfs/dbraw/zinc/21/99/10/171219910.db2.gz MLBOUYOVPKGXIG-VIFPVBQESA-N 0 0 251.276 4.348 10 0 CIAERN Cc1nc([C@H](C)Nc2c(F)cccc2F)c(C)s1 ZINC000020475991 171220077 /nfs/dbraw/zinc/22/00/77/171220077.db2.gz QFSQMBCWBAOUHF-ZETCQYMHSA-N 0 0 268.332 4.211 10 0 CIAERN C[C@H](Nc1c(F)cccc1F)c1cccc(F)c1 ZINC000020476104 171220493 /nfs/dbraw/zinc/22/04/93/171220493.db2.gz MJWBYNXIWQCRPZ-VIFPVBQESA-N 0 0 251.251 4.277 10 0 CIAERN CCCCN(CCCC)c1ccc(Br)cc1N ZINC000020484590 171224658 /nfs/dbraw/zinc/22/46/58/171224658.db2.gz JPERNSXIQZBKNE-UHFFFAOYSA-N 0 0 299.256 4.438 10 0 CIAERN Clc1cc(Cl)c(NC[C@@H]2CCOC2)c(Cl)c1 ZINC000020505072 171227680 /nfs/dbraw/zinc/22/76/80/171227680.db2.gz PNIDIOXNPCQTMO-ZETCQYMHSA-N 0 0 280.582 4.095 10 0 CIAERN C[C@H]1C[C@H](Oc2ccc(F)cc2N)CC(C)(C)C1 ZINC000020506941 171228951 /nfs/dbraw/zinc/22/89/51/171228951.db2.gz ITSUWMBTHKBGRM-JQWIXIFHSA-N 0 0 251.345 4.002 10 0 CIAERN CC(=O)c1ccc(O[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000020516909 171232723 /nfs/dbraw/zinc/23/27/23/171232723.db2.gz KIUSIIXEOLPKDG-LRDDRELGSA-N 0 0 260.377 4.483 10 0 CIAERN CC(=O)c1cc(F)ccc1OC[C@H]1CC=CC[C@@H]1C ZINC000020519276 171233471 /nfs/dbraw/zinc/23/34/71/171233471.db2.gz OJVZAUGBMVQBGX-WCQYABFASA-N 0 0 262.324 4.009 10 0 CIAERN CC(=O)c1cc(F)ccc1OC[C@@H]1CC=CC[C@H]1C ZINC000020519277 171233591 /nfs/dbraw/zinc/23/35/91/171233591.db2.gz OJVZAUGBMVQBGX-YPMHNXCESA-N 0 0 262.324 4.009 10 0 CIAERN CCCCCC[C@H](C)Nc1cc(OC)cc(OC)c1 ZINC000020519988 171234012 /nfs/dbraw/zinc/23/40/12/171234012.db2.gz NIOIJFCBQZSNSZ-ZDUSSCGKSA-N 0 0 265.397 4.475 10 0 CIAERN COC(C)(C)C[C@H](C)Nc1cccc(Br)c1 ZINC000020524398 171237480 /nfs/dbraw/zinc/23/74/80/171237480.db2.gz NZDRGRBRMSNNNG-JTQLQIEISA-N 0 0 286.213 4.065 10 0 CIAERN CCC[C@@H](C)Nc1cc(OCC)ccc1OCC ZINC000020544818 171243096 /nfs/dbraw/zinc/24/30/96/171243096.db2.gz KGIMOXOVXSBZBV-GFCCVEGCSA-N 0 0 251.370 4.085 10 0 CIAERN O=Cc1c(Cl)cccc1Oc1ccc2c(c1)CCC2 ZINC000020546413 171244017 /nfs/dbraw/zinc/24/40/17/171244017.db2.gz OHMULHOGAGWUIW-UHFFFAOYSA-N 0 0 272.731 4.434 10 0 CIAERN COc1ccc(Cl)cc1NCCc1ccccc1 ZINC000020546798 171244430 /nfs/dbraw/zinc/24/44/30/171244430.db2.gz DSMZEEMKLXZXAC-UHFFFAOYSA-N 0 0 261.752 4.003 10 0 CIAERN C[C@H](Nc1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000020548496 171245386 /nfs/dbraw/zinc/24/53/86/171245386.db2.gz MWORQOISDHNSKU-LBPRGKRZSA-N 0 0 255.336 4.488 10 0 CIAERN COc1ccc(N[C@H]2CCCC[C@H]2C(C)(C)C)cn1 ZINC000020548072 171245431 /nfs/dbraw/zinc/24/54/31/171245431.db2.gz VOWCEOGSTXJWHS-KGLIPLIRSA-N 0 0 262.397 4.107 10 0 CIAERN CC1CCC(Nc2cccc(Br)c2)CC1 ZINC000020553094 171248930 /nfs/dbraw/zinc/24/89/30/171248930.db2.gz MBNINBKSECHDQC-UHFFFAOYSA-N 0 0 268.198 4.440 10 0 CIAERN CC[C@H](C)[C@@H](C)Nc1cccc(Br)c1 ZINC000020553882 171249278 /nfs/dbraw/zinc/24/92/78/171249278.db2.gz PPIHFNOZDNKQDM-VHSXEESVSA-N 0 0 256.187 4.296 10 0 CIAERN C[C@@H](Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000020557296 171250164 /nfs/dbraw/zinc/25/01/64/171250164.db2.gz IAUCFCKOINVVDW-CQSZACIVSA-N 0 0 251.373 4.488 10 0 CIAERN COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(F)cc1F ZINC000020557830 171250665 /nfs/dbraw/zinc/25/06/65/171250665.db2.gz GTGZKAXQNRBWAT-INIZCTEOSA-N 0 0 289.325 4.463 10 0 CIAERN Cc1cc(C)c([C@@H](C)Nc2cccc(O)c2)c(C)c1 ZINC000020558396 171250746 /nfs/dbraw/zinc/25/07/46/171250746.db2.gz JOASJYUPVRNAHR-CQSZACIVSA-N 0 0 255.361 4.491 10 0 CIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc2c(c1)OCCO2 ZINC000020560651 171251931 /nfs/dbraw/zinc/25/19/31/171251931.db2.gz HMXQJNUACAYJEH-BMFZPTHFSA-N 0 0 289.419 4.331 10 0 CIAERN COc1ccc(N[C@H](CC(C)C)c2ccccc2)cn1 ZINC000020565941 171254481 /nfs/dbraw/zinc/25/44/81/171254481.db2.gz RRMIURXZHHLZHI-MRXNPFEDSA-N 0 0 270.376 4.290 10 0 CIAERN CC1=Cn2c(=S)c3ccccc3c(=S)n2C[C@H]1C ZINC000020572571 171255553 /nfs/dbraw/zinc/25/55/53/171255553.db2.gz ADQBZNSEXSQGLC-SNVBAGLBSA-N 0 0 274.414 4.412 10 0 CIAERN Cc1cc(Br)ccc1Nc1ccc(N)cc1F ZINC000020584978 171258163 /nfs/dbraw/zinc/25/81/63/171258163.db2.gz CXZHQTIZSYICPL-UHFFFAOYSA-N 0 0 295.155 4.222 10 0 CIAERN COc1ccc(Nc2c(N)cccc2Cl)cc1Cl ZINC000020584808 171258229 /nfs/dbraw/zinc/25/82/29/171258229.db2.gz KJBPZXBEJJBICS-UHFFFAOYSA-N 0 0 283.158 4.328 10 0 CIAERN Nc1cccc(Cl)c1Nc1cccc(Cl)c1 ZINC000020585489 171258819 /nfs/dbraw/zinc/25/88/19/171258819.db2.gz LDBRLLGUPSJHIG-UHFFFAOYSA-N 0 0 253.132 4.319 10 0 CIAERN Cc1ccc(Cl)cc1Nc1ccc(N)cc1F ZINC000020585821 171258883 /nfs/dbraw/zinc/25/88/83/171258883.db2.gz DORNARCSWIQTAE-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1cccc(Cl)c1Nc1ccc(Br)cc1 ZINC000020585549 171258925 /nfs/dbraw/zinc/25/89/25/171258925.db2.gz HOWWGZPBIGRJPF-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN CSc1cccc(-n2c(=S)[nH]c3ccccc32)c1 ZINC000020585958 171258949 /nfs/dbraw/zinc/25/89/49/171258949.db2.gz UQAVTSDTHLZHPU-UHFFFAOYSA-N 0 0 272.398 4.410 10 0 CIAERN Cc1ccc(Nc2ccc(N)c(C(F)(F)F)c2)cc1 ZINC000020585750 171259008 /nfs/dbraw/zinc/25/90/08/171259008.db2.gz LUMYLXYXDBFBPW-UHFFFAOYSA-N 0 0 266.266 4.340 10 0 CIAERN Nc1cc(Cl)ccc1Nc1ccccc1Br ZINC000020585544 171259042 /nfs/dbraw/zinc/25/90/42/171259042.db2.gz ZHWIQRDQCUZRFT-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN Nc1ccc(Nc2cccc(Br)c2)c(Cl)c1 ZINC000020585562 171259076 /nfs/dbraw/zinc/25/90/76/171259076.db2.gz AEKBNUDQANHSFR-UHFFFAOYSA-N 0 0 297.583 4.428 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1Cl)c1cccnc1 ZINC000020595094 171264182 /nfs/dbraw/zinc/26/41/82/171264182.db2.gz OQMJSXLRNFKZII-SECBINFHSA-N 0 0 250.704 4.047 10 0 CIAERN CCCCSc1nnc(C(C)(C)C)n1-c1ccccc1 ZINC000020838598 171275583 /nfs/dbraw/zinc/27/55/83/171275583.db2.gz HJLYAFBUJJQTSM-UHFFFAOYSA-N 0 0 289.448 4.457 10 0 CIAERN CCOc1ccc(N[C@H]2CCC[C@@H](C)C2)cc1OCC ZINC000021009532 171286354 /nfs/dbraw/zinc/28/63/54/171286354.db2.gz CWDBAWHSWOXXPG-KGLIPLIRSA-N 0 0 277.408 4.475 10 0 CIAERN Cc1ccc(F)cc1N[C@@H](C)CCc1ccc(O)cc1 ZINC000021014132 171288793 /nfs/dbraw/zinc/28/87/93/171288793.db2.gz LIHCBYWLTWYPMB-ZDUSSCGKSA-N 0 0 273.351 4.273 10 0 CIAERN CC[C@@H](C)[C@@H](C)Nc1cc(OC)c(Cl)cc1OC ZINC000021014867 171289426 /nfs/dbraw/zinc/28/94/26/171289426.db2.gz ARBKIYSXDOIORP-NXEZZACHSA-N 0 0 271.788 4.204 10 0 CIAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cc(F)cc(F)c1 ZINC000021027023 171291303 /nfs/dbraw/zinc/29/13/03/171291303.db2.gz WPCSSROHXOBNHQ-KRWDZBQOSA-N 0 0 289.325 4.463 10 0 CIAERN C[C@H](NCC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000021032832 171291829 /nfs/dbraw/zinc/29/18/29/171291829.db2.gz QYLYXNFEDCGNDX-JTQLQIEISA-N 0 0 259.315 4.197 10 0 CIAERN CCCCC[C@@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021039008 171292927 /nfs/dbraw/zinc/29/29/27/171292927.db2.gz OKVGBVPACKFWOZ-CYBMUJFWSA-N 0 0 263.381 4.229 10 0 CIAERN COc1ccc(Cl)cc1N[C@H]1CCCC[C@@H]1C ZINC000021039509 171293419 /nfs/dbraw/zinc/29/34/19/171293419.db2.gz BGOTWAGFNVTKJZ-JQWIXIFHSA-N 0 0 253.773 4.339 10 0 CIAERN CCOc1ccc(NCCc2ccccc2)cc1OCC ZINC000021044473 171294221 /nfs/dbraw/zinc/29/42/21/171294221.db2.gz WTGWAAPAIIFNHG-UHFFFAOYSA-N 0 0 285.387 4.139 10 0 CIAERN FC1(F)Oc2ccc(N[C@H]3CCc4ccccc43)cc2O1 ZINC000021046379 171294278 /nfs/dbraw/zinc/29/42/78/171294278.db2.gz CIQHZNRDZISUMY-ZDUSSCGKSA-N 0 0 289.281 4.108 10 0 CIAERN Nc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000021061666 171297123 /nfs/dbraw/zinc/29/71/23/171297123.db2.gz BAIZCNKTXQWFKY-UHFFFAOYSA-N 0 0 268.143 4.155 10 0 CIAERN Cc1ccc(N)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000021060969 171297368 /nfs/dbraw/zinc/29/73/68/171297368.db2.gz LVMZCOMNURQLAD-UHFFFAOYSA-N 0 0 282.170 4.463 10 0 CIAERN Cc1cc(Cl)ccc1Oc1ccc(F)cc1N ZINC000021499885 171304315 /nfs/dbraw/zinc/30/43/15/171304315.db2.gz OUYNZJLBVZPQEJ-UHFFFAOYSA-N 0 0 251.688 4.162 10 0 CIAERN Cc1ccc(O)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000021500643 171305016 /nfs/dbraw/zinc/30/50/16/171305016.db2.gz YPDPXOFJSVEMMX-UHFFFAOYSA-N 0 0 296.153 4.260 10 0 CIAERN Fc1ccc(NCCCc2ccccc2)c(F)c1F ZINC000021500540 171305183 /nfs/dbraw/zinc/30/51/83/171305183.db2.gz OVNUZQMJLJYBIP-UHFFFAOYSA-N 0 0 265.278 4.149 10 0 CIAERN CSc1ccc(CNc2ccc(C)c(F)c2)cc1 ZINC000021507888 171308947 /nfs/dbraw/zinc/30/89/47/171308947.db2.gz RGYOOJXEJJYUMD-UHFFFAOYSA-N 0 0 261.365 4.468 10 0 CIAERN CSCCCNc1ccc2c(c1)Cc1ccccc1-2 ZINC000021509860 171309800 /nfs/dbraw/zinc/30/98/00/171309800.db2.gz YPJCUULXWPYHQN-UHFFFAOYSA-N 0 0 269.413 4.423 10 0 CIAERN CCOc1ccc(N[C@H](C)[C@@H](C)CC)cc1OCC ZINC000021510690 171310059 /nfs/dbraw/zinc/31/00/59/171310059.db2.gz KAIOPGJMGSJNEN-QWHCGFSZSA-N 0 0 265.397 4.331 10 0 CIAERN COc1cc(NC2CCCCCCC2)cc(OC)c1 ZINC000021510940 171310235 /nfs/dbraw/zinc/31/02/35/171310235.db2.gz FLLKUDIZOMXRAJ-UHFFFAOYSA-N 0 0 263.381 4.229 10 0 CIAERN C[C@@H]1CCc2cccc(OCCc3ccccc3)c2N1 ZINC000021513678 171311551 /nfs/dbraw/zinc/31/15/51/171311551.db2.gz ZXFFBMAWCKNMBK-CQSZACIVSA-N 0 0 267.372 4.055 10 0 CIAERN CC(C)Cc1nc2sc3c(c2c(Cl)n1)CCCC3 ZINC000021513953 171311646 /nfs/dbraw/zinc/31/16/46/171311646.db2.gz IDYKHLBHEJPFQI-UHFFFAOYSA-N 0 0 280.824 4.422 10 0 CIAERN C[C@@H]1CCC[C@H](Nc2ccccc2OC(F)F)C1 ZINC000021514997 171311925 /nfs/dbraw/zinc/31/19/25/171311925.db2.gz OAWNTGVPHFWQQB-MNOVXSKESA-N 0 0 255.308 4.279 10 0 CIAERN CCC[C@H](C)CNc1cccc(Br)c1 ZINC000021514798 171312034 /nfs/dbraw/zinc/31/20/34/171312034.db2.gz XGXLGWCPXSNAGF-JTQLQIEISA-N 0 0 256.187 4.297 10 0 CIAERN CCC(CC)Nc1ccc(C)cc1Br ZINC000021516930 171313456 /nfs/dbraw/zinc/31/34/56/171313456.db2.gz QLPFBYGDQMJMIE-UHFFFAOYSA-N 0 0 256.187 4.358 10 0 CIAERN COc1ccc(NCc2c(C)cc(C)cc2C)c(OC)c1 ZINC000021518358 171314477 /nfs/dbraw/zinc/31/44/77/171314477.db2.gz PFISKQBRWOVAJE-UHFFFAOYSA-N 0 0 285.387 4.241 10 0 CIAERN COc1cc(OC)c(N[C@@H]2CCC[C@H](C)C2)cc1Cl ZINC000021790244 171323803 /nfs/dbraw/zinc/32/38/03/171323803.db2.gz FGSSMLDXVQUOFA-WDEREUQCSA-N 0 0 283.799 4.348 10 0 CIAERN COc1cc(OC)c(N[C@@H]2CCC[C@@H](C)C2)cc1Cl ZINC000021790237 171323935 /nfs/dbraw/zinc/32/39/35/171323935.db2.gz FGSSMLDXVQUOFA-GHMZBOCLSA-N 0 0 283.799 4.348 10 0 CIAERN COc1ccc(CNc2ccccc2C(C)C)c(OC)c1 ZINC000021798356 171325262 /nfs/dbraw/zinc/32/52/62/171325262.db2.gz DQNWWDWIQQCBSO-UHFFFAOYSA-N 0 0 285.387 4.439 10 0 CIAERN Nc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000021806276 171327572 /nfs/dbraw/zinc/32/75/72/171327572.db2.gz SHKWUOBLWWBMHZ-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN CCCOc1ccc(CNc2ccccc2F)cc1 ZINC000021807322 171328038 /nfs/dbraw/zinc/32/80/38/171328038.db2.gz GLRVWHOWMRRWTE-UHFFFAOYSA-N 0 0 259.324 4.227 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1ccc(OC)cc1OC ZINC000021811565 171329465 /nfs/dbraw/zinc/32/94/65/171329465.db2.gz ONLPUWNCZDTHPJ-OLZOCXBDSA-N 0 0 265.397 4.331 10 0 CIAERN Cc1ccc(CNc2cccc3c2CCCC3)cc1 ZINC000021813425 171331113 /nfs/dbraw/zinc/33/11/13/171331113.db2.gz FFADMYRCVPIBLO-UHFFFAOYSA-N 0 0 251.373 4.486 10 0 CIAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(Cl)cc1N ZINC000021816894 171332705 /nfs/dbraw/zinc/33/27/05/171332705.db2.gz HHLVCNCSIPVXSK-ZWNOBZJWSA-N 0 0 253.773 4.270 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccc3ccccc3c2)o1 ZINC000021839559 171335256 /nfs/dbraw/zinc/33/52/56/171335256.db2.gz NTHFETNDJMXKFY-ZDUSSCGKSA-N 0 0 279.339 4.232 10 0 CIAERN CC(=O)c1ccccc1-c1ccccc1OC(F)(F)F ZINC000021950656 171339558 /nfs/dbraw/zinc/33/95/58/171339558.db2.gz MIXPMVRUQJEOIU-UHFFFAOYSA-N 0 0 280.245 4.455 10 0 CIAERN Cc1cc(N)ccc1-c1ccccc1OC(F)(F)F ZINC000021950862 171339807 /nfs/dbraw/zinc/33/98/07/171339807.db2.gz QPUSRCKSEVHUMD-UHFFFAOYSA-N 0 0 267.250 4.143 10 0 CIAERN Nc1ccc(C2CCCCC2)cc1Br ZINC000021986989 171345584 /nfs/dbraw/zinc/34/55/84/171345584.db2.gz GVYCYKQJNRQJCW-UHFFFAOYSA-N 0 0 254.171 4.079 10 0 CIAERN COc1ccc(OC)c(SCCc2ccccc2)c1 ZINC000021988702 171346269 /nfs/dbraw/zinc/34/62/69/171346269.db2.gz RSRFGNAYELOSBS-UHFFFAOYSA-N 0 0 274.385 4.039 10 0 CIAERN COc1ccc2cc([C@H](O)c3ccc(Cl)cc3)oc2c1 ZINC000021993757 171346669 /nfs/dbraw/zinc/34/66/69/171346669.db2.gz WBZANYWJZPBHQC-MRXNPFEDSA-N 0 0 288.730 4.177 10 0 CIAERN COc1ccc2cc([C@@H](O)c3ccc(Cl)cc3)oc2c1 ZINC000021993755 171346867 /nfs/dbraw/zinc/34/68/67/171346867.db2.gz WBZANYWJZPBHQC-INIZCTEOSA-N 0 0 288.730 4.177 10 0 CIAERN CCC1CCC(Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000022146829 171356625 /nfs/dbraw/zinc/35/66/25/171356625.db2.gz HHZSPVHDWQWQPX-UHFFFAOYSA-N 0 0 283.318 4.389 10 0 CIAERN CC(C)c1ccc(NC(=O)Nc2cccc(N)c2)cc1 ZINC000022149491 171358078 /nfs/dbraw/zinc/35/80/78/171358078.db2.gz OPHMOVFXDGWAQA-UHFFFAOYSA-N 0 0 269.348 4.036 10 0 CIAERN CC[C@@H](C)C[C@H](CC)Nc1ccc2c(c1)OCCO2 ZINC000022153512 171360661 /nfs/dbraw/zinc/36/06/61/171360661.db2.gz 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CC[C@H](C)c1ccc(NCc2c(C)noc2C)cc1 ZINC000035040932 171946152 /nfs/dbraw/zinc/94/61/52/171946152.db2.gz DQPWYOKFLPFRFE-NSHDSACASA-N 0 0 258.365 4.417 10 0 CIAERN Nc1ccc(F)cc1COc1cc(Cl)ccc1Cl ZINC000035057923 171961112 /nfs/dbraw/zinc/96/11/12/171961112.db2.gz XVVHFERFCHLGML-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN CCOc1ccc(CNc2cc(Cl)ccc2F)cc1 ZINC000035083771 171970551 /nfs/dbraw/zinc/97/05/51/171970551.db2.gz AVGHXBUYLGCULF-UHFFFAOYSA-N 0 0 279.742 4.490 10 0 CIAERN C[C@@H](Nc1c(F)c(F)c(F)c(F)c1F)c1ccco1 ZINC000035135114 172002409 /nfs/dbraw/zinc/00/24/09/172002409.db2.gz FNGISPCBCHBYIP-RXMQYKEDSA-N 0 0 277.192 4.148 10 0 CIAERN CC(C)(C)c1ccc(OCc2nnsc2Cl)cc1 ZINC000035163579 172024765 /nfs/dbraw/zinc/02/47/65/172024765.db2.gz SLZMIECZMIQIJL-UHFFFAOYSA-N 0 0 282.796 4.068 10 0 CIAERN COc1ccc(C)cc1CNc1cccc(Cl)c1 ZINC000035164908 172026288 /nfs/dbraw/zinc/02/62/88/172026288.db2.gz DUORKYHHUCYQJA-UHFFFAOYSA-N 0 0 261.752 4.269 10 0 CIAERN COc1ccc(C)cc1CNc1cccc(Cl)c1F ZINC000035165319 172026750 /nfs/dbraw/zinc/02/67/50/172026750.db2.gz HZWNEGFVUJGXQA-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Sc2ccccc2F)cc1 ZINC000035181950 172035660 /nfs/dbraw/zinc/03/56/60/172035660.db2.gz NHTPFMRVNRVXGG-GFCCVEGCSA-N 0 0 274.360 4.498 10 0 CIAERN Cc1ccc(C)c(C(=O)COc2ccc3c(c2)CCC3)c1 ZINC000035181723 172035668 /nfs/dbraw/zinc/03/56/68/172035668.db2.gz YNLBPDDCCVAHTR-UHFFFAOYSA-N 0 0 280.367 4.054 10 0 CIAERN Cc1ccc(C(=O)COc2ccc(C)c(C)c2)c(C)c1 ZINC000035182328 172036276 /nfs/dbraw/zinc/03/62/76/172036276.db2.gz NTKFINDFMNEXBR-UHFFFAOYSA-N 0 0 268.356 4.182 10 0 CIAERN Cc1cc(C)cc(OCC(=O)c2ccc(Cl)s2)c1 ZINC000035182408 172036322 /nfs/dbraw/zinc/03/63/22/172036322.db2.gz FLQOCKPFQRJINQ-UHFFFAOYSA-N 0 0 280.776 4.280 10 0 CIAERN CC[C@@H](C)S[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000035182613 172036326 /nfs/dbraw/zinc/03/63/26/172036326.db2.gz SIHFHUSMMSAGPU-CHWSQXEVSA-N 0 0 250.407 4.406 10 0 CIAERN CC[C@@H](C)SCC(=O)c1ccc(SC)cc1 ZINC000035182561 172036355 /nfs/dbraw/zinc/03/63/55/172036355.db2.gz YSKPBZHASSRFQQ-SNVBAGLBSA-N 0 0 254.420 4.123 10 0 CIAERN CCc1ccc(C(=O)[C@@H](C)S[C@H](C)CC)cc1 ZINC000035182617 172036430 /nfs/dbraw/zinc/03/64/30/172036430.db2.gz LXOHPNMYAKFJPG-VXGBXAGGSA-N 0 0 250.407 4.352 10 0 CIAERN CC[C@@H](C)S[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000035182589 172036446 /nfs/dbraw/zinc/03/64/46/172036446.db2.gz CEJDPETULWQKJW-NXEZZACHSA-N 0 0 256.798 4.443 10 0 CIAERN CCc1ccc(OCC(=O)c2cc3ccccc3o2)cc1 ZINC000035182914 172036781 /nfs/dbraw/zinc/03/67/81/172036781.db2.gz JEWGAGDPFWDERV-UHFFFAOYSA-N 0 0 280.323 4.257 10 0 CIAERN O=C(COc1cccc2cccnc21)c1ccccc1Cl ZINC000035183467 172036878 /nfs/dbraw/zinc/03/68/78/172036878.db2.gz VBPLBQRMXGLHNT-UHFFFAOYSA-N 0 0 297.741 4.150 10 0 CIAERN CC(C)CSCC(=O)c1ccc(Br)s1 ZINC000035183326 172036992 /nfs/dbraw/zinc/03/69/92/172036992.db2.gz OUFOZIUIQNETPQ-UHFFFAOYSA-N 0 0 293.251 4.083 10 0 CIAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2F)cc1C ZINC000035183542 172037035 /nfs/dbraw/zinc/03/70/35/172037035.db2.gz AGXPHPTUKFCVJU-CYBMUJFWSA-N 0 0 272.319 4.093 10 0 CIAERN C[C@@H](Oc1cccc2ccccc21)C(=O)c1ccccc1 ZINC000035184136 172037294 /nfs/dbraw/zinc/03/72/94/172037294.db2.gz RUOIMTKCXJFIPQ-CQSZACIVSA-N 0 0 276.335 4.490 10 0 CIAERN Cc1ccc(C)c(C(=O)[C@@H](C)Oc2ccccc2C)c1 ZINC000035183777 172037628 /nfs/dbraw/zinc/03/76/28/172037628.db2.gz SNQJGSQTYSREKF-OAHLLOKOSA-N 0 0 268.356 4.262 10 0 CIAERN CC(C)c1ccccc1O[C@@H](C)C(=O)c1ccccc1 ZINC000035184622 172037969 /nfs/dbraw/zinc/03/79/69/172037969.db2.gz DZTCMVHRWPJJHT-AWEZNQCLSA-N 0 0 268.356 4.460 10 0 CIAERN Fc1ccc(Nc2nncc3ccccc32)cc1Cl ZINC000035206262 172050009 /nfs/dbraw/zinc/05/00/09/172050009.db2.gz DKRFBKQHQXWRGP-UHFFFAOYSA-N 0 0 273.698 4.166 10 0 CIAERN CSc1nc2ccc(NCc3cccnc3)cc2s1 ZINC000035228979 172069913 /nfs/dbraw/zinc/06/99/13/172069913.db2.gz FEHSYZFEDXISCV-UHFFFAOYSA-N 0 0 287.413 4.025 10 0 CIAERN COc1ccc(NCc2ccccc2C)cc1OC(F)F ZINC000035230047 172070999 /nfs/dbraw/zinc/07/09/99/172070999.db2.gz DYAYYVDIPDRESX-UHFFFAOYSA-N 0 0 293.313 4.217 10 0 CIAERN Nc1ccc2nc(Sc3cccs3)ccc2c1 ZINC000035344061 172135679 /nfs/dbraw/zinc/13/56/79/172135679.db2.gz VUNIHESVRAWCOE-UHFFFAOYSA-N 0 0 258.371 4.030 10 0 CIAERN Cc1cc(C)cc(Oc2ccc3scnc3c2N)c1 ZINC000035344824 172136421 /nfs/dbraw/zinc/13/64/21/172136421.db2.gz KDRJQTKZVJIBML-UHFFFAOYSA-N 0 0 270.357 4.288 10 0 CIAERN CSc1ccc(Nc2ccc3scnc3c2N)cc1 ZINC000035344453 172136709 /nfs/dbraw/zinc/13/67/09/172136709.db2.gz XCBKLEVJLMIFKN-UHFFFAOYSA-N 0 0 287.413 4.344 10 0 CIAERN Cc1ccc(C(=O)c2cc3c(s2)CCCC3)c(C)c1 ZINC000035368659 172160485 /nfs/dbraw/zinc/16/04/85/172160485.db2.gz DSJLRQWRUDUGNN-UHFFFAOYSA-N 0 0 270.397 4.475 10 0 CIAERN O=C(c1cc2c(s1)CCCC2)c1cc(F)ccc1F ZINC000035368487 172160579 /nfs/dbraw/zinc/16/05/79/172160579.db2.gz XFKHCUMVDLTXLC-UHFFFAOYSA-N 0 0 278.323 4.136 10 0 CIAERN CCc1cccc2c(C(=O)c3ccc(C)s3)c[nH]c21 ZINC000035369156 172160740 /nfs/dbraw/zinc/16/07/40/172160740.db2.gz 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4.379 10 0 CIAERN CCN[C@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035559208 172264500 /nfs/dbraw/zinc/26/45/00/172264500.db2.gz JDNUFWKNZKENJR-SNVBAGLBSA-N 0 0 276.188 4.347 10 0 CIAERN Clc1ccc([C@H]2CC(c3ccccc3)=NN2)c(Cl)c1 ZINC000035576619 172273283 /nfs/dbraw/zinc/27/32/83/172273283.db2.gz POSPIIHNVKBIIS-OAHLLOKOSA-N 0 0 291.181 4.432 10 0 CIAERN CCCN[C@@H](c1ccc(C)cc1)C(F)(F)C(F)(F)F ZINC000035576848 172273459 /nfs/dbraw/zinc/27/34/59/172273459.db2.gz CYPXEBJXLNGYSV-NSHDSACASA-N 0 0 281.268 4.233 10 0 CIAERN CCCN[C@H](c1ccc(OC(C)C)cc1)C(F)(F)F ZINC000035583781 172282596 /nfs/dbraw/zinc/28/25/96/172282596.db2.gz QUBSJMSHGOCIAQ-CYBMUJFWSA-N 0 0 275.314 4.077 10 0 CIAERN C[C@H](O)c1cccc(OCc2ccc(Cl)s2)c1 ZINC000035627799 172306713 /nfs/dbraw/zinc/30/67/13/172306713.db2.gz TXRWLZUUIJCDIK-VIFPVBQESA-N 0 0 268.765 4.034 10 0 CIAERN Cc1ccc(OCc2ccc(F)cc2Cl)c([C@@H](C)O)c1 ZINC000035630378 172311268 /nfs/dbraw/zinc/31/12/68/172311268.db2.gz OGQIMJVBWUDBGH-LLVKDONJSA-N 0 0 294.753 4.420 10 0 CIAERN CCN(c1ccc([C@H](C)O)cc1)c1ccccc1C ZINC000035631232 172312843 /nfs/dbraw/zinc/31/28/43/172312843.db2.gz KLPSQSKZOKSXLC-AWEZNQCLSA-N 0 0 255.361 4.206 10 0 CIAERN CCN(c1ccc([C@@H](C)O)cc1F)C1CCCCC1 ZINC000035631331 172313539 /nfs/dbraw/zinc/31/35/39/172313539.db2.gz RQMZWEPGXZBAGL-GFCCVEGCSA-N 0 0 265.372 4.038 10 0 CIAERN Cc1cccc(Oc2ccc(F)cc2[C@@H](C)O)c1C ZINC000035632138 172314412 /nfs/dbraw/zinc/31/44/12/172314412.db2.gz AAJPKQAUQLXUHZ-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN CCc1cccc(Oc2cccc(F)c2[C@H](C)O)c1 ZINC000035631897 172314452 /nfs/dbraw/zinc/31/44/52/172314452.db2.gz GJTQMPAMSIIWFJ-NSHDSACASA-N 0 0 260.308 4.234 10 0 CIAERN CCOc1ccc(Oc2ccc(F)cc2[C@@H](C)O)cc1 ZINC000035632066 172314485 /nfs/dbraw/zinc/31/44/85/172314485.db2.gz YBAMRBYNYQPHLS-LLVKDONJSA-N 0 0 276.307 4.070 10 0 CIAERN Cc1ccc(Oc2cccc(F)c2[C@@H](C)O)cc1C ZINC000035632236 172314855 /nfs/dbraw/zinc/31/48/55/172314855.db2.gz MFAHTZTZPXRSRV-GFCCVEGCSA-N 0 0 260.308 4.288 10 0 CIAERN C[C@@H](O)c1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000035632325 172315103 /nfs/dbraw/zinc/31/51/03/172315103.db2.gz DJQTZWZAHLPATF-SECBINFHSA-N 0 0 266.699 4.325 10 0 CIAERN C[C@@H](O)c1ccccc1Oc1ccc(Br)cc1 ZINC000035650670 172326746 /nfs/dbraw/zinc/32/67/46/172326746.db2.gz WSWARWLLGRMIOF-SNVBAGLBSA-N 0 0 293.160 4.295 10 0 CIAERN C[C@H](O)c1ccccc1Oc1ccccc1Br ZINC000035650591 172326749 /nfs/dbraw/zinc/32/67/49/172326749.db2.gz WCUAKHFMOAOCPM-JTQLQIEISA-N 0 0 293.160 4.295 10 0 CIAERN COC(=O)C[C@@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000035741088 172394869 /nfs/dbraw/zinc/39/48/69/172394869.db2.gz KHVDUINCVKUUBL-LLVKDONJSA-N 0 0 266.406 4.028 10 0 CIAERN Cc1cc(Oc2ncc(Cl)cc2N)ccc1Cl ZINC000036243116 172540486 /nfs/dbraw/zinc/54/04/86/172540486.db2.gz BYNWZUZDRUQZJS-UHFFFAOYSA-N 0 0 269.131 4.071 10 0 CIAERN Cc1ccc(C(C)C)c(Oc2nccc(C)c2N)c1 ZINC000036251770 172545906 /nfs/dbraw/zinc/54/59/06/172545906.db2.gz PWZIDVKKRCYFNL-UHFFFAOYSA-N 0 0 256.349 4.196 10 0 CIAERN Fc1ccc(Nc2nc(Cl)nc3sccc32)cc1 ZINC000036277417 172568723 /nfs/dbraw/zinc/56/87/23/172568723.db2.gz WQJPMVLLBULFQZ-UHFFFAOYSA-N 0 0 279.727 4.227 10 0 CIAERN Cc1ccc(C(=O)COc2ccc(C(C)C)cc2)s1 ZINC000036324768 172609463 /nfs/dbraw/zinc/60/94/63/172609463.db2.gz ABUSZUZWMPBACP-UHFFFAOYSA-N 0 0 274.385 4.442 10 0 CIAERN Cc1cc(-c2ccc(C=O)s2)ccc1Br ZINC000036666904 172646478 /nfs/dbraw/zinc/64/64/78/172646478.db2.gz VKLXDWHZWYKFJC-UHFFFAOYSA-N 0 0 281.174 4.299 10 0 CIAERN Cc1cccc(N[C@H]2CCc3c2cccc3O)c1C ZINC000036852183 172749700 /nfs/dbraw/zinc/74/97/00/172749700.db2.gz INJWXWSPGQWBST-INIZCTEOSA-N 0 0 253.345 4.108 10 0 CIAERN Nc1nc2cc(Cl)ccc2n1-c1ccc(F)c(Cl)c1 ZINC000036889962 172784554 /nfs/dbraw/zinc/78/45/54/172784554.db2.gz YRKGVXNKPLXQJQ-UHFFFAOYSA-N 0 0 296.132 4.054 10 0 CIAERN Cc1ccsc1CNc1cc2c(cc1Cl)OCCO2 ZINC000036922430 172806059 /nfs/dbraw/zinc/80/60/59/172806059.db2.gz IUYAKRHUPUZMNM-UHFFFAOYSA-N 0 0 295.791 4.093 10 0 CIAERN Cc1[nH]c2ccccc2c1C(=O)c1cccc(Cl)c1 ZINC000036943631 172818941 /nfs/dbraw/zinc/81/89/41/172818941.db2.gz DBXMXPBEGVILIO-UHFFFAOYSA-N 0 0 269.731 4.361 10 0 CIAERN CC(C)(C)c1ccccc1NCc1ccc(O)cc1 ZINC000036956459 172827708 /nfs/dbraw/zinc/82/77/08/172827708.db2.gz HWZDWSDAOZXCRC-UHFFFAOYSA-N 0 0 255.361 4.302 10 0 CIAERN CC[C@H](Nc1cccnc1Cl)c1ccc(OC)cc1 ZINC000036982722 172849156 /nfs/dbraw/zinc/84/91/56/172849156.db2.gz HAZWKSSJULHERI-ZDUSSCGKSA-N 0 0 276.767 4.307 10 0 CIAERN Nc1ccccc1SCCOc1ccc(Cl)cc1 ZINC000037035442 172904042 /nfs/dbraw/zinc/90/40/42/172904042.db2.gz SELCBXCKWWOHMR-UHFFFAOYSA-N 0 0 279.792 4.093 10 0 CIAERN COC(=O)c1cccc(N[C@H](C)CCC(C)C)c1C ZINC000037047401 172914131 /nfs/dbraw/zinc/91/41/31/172914131.db2.gz SJYCIQFHWBXIFT-GFCCVEGCSA-N 0 0 263.381 4.018 10 0 CIAERN Nc1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000037064785 172928178 /nfs/dbraw/zinc/92/81/78/172928178.db2.gz PSWWVOBQQGOVLN-UHFFFAOYSA-N 0 0 286.133 4.294 10 0 CIAERN C[C@@H](Nc1cccc(-n2cccc2)c1)c1ccco1 ZINC000037104272 172957458 /nfs/dbraw/zinc/95/74/58/172957458.db2.gz PPVQKRKQBCFLJI-CYBMUJFWSA-N 0 0 252.317 4.243 10 0 CIAERN Nc1cccc(OCCSc2ccc(Cl)cc2)c1 ZINC000037114617 172966647 /nfs/dbraw/zinc/96/66/47/172966647.db2.gz NTSFMYRNVWHCKE-UHFFFAOYSA-N 0 0 279.792 4.093 10 0 CIAERN CCCC(CCC)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137308 172977113 /nfs/dbraw/zinc/97/71/13/172977113.db2.gz GKYXNWDNHKRSSF-UHFFFAOYSA-N 0 0 257.381 4.457 10 0 CIAERN Nc1ccc(SCc2ccccc2OC(F)F)cc1 ZINC000037181855 173014630 /nfs/dbraw/zinc/01/46/30/173014630.db2.gz MJGRPORWDIKPPF-UHFFFAOYSA-N 0 0 281.327 4.163 10 0 CIAERN Nc1cc(F)ccc1SCc1ccccc1Cl ZINC000037195230 173023882 /nfs/dbraw/zinc/02/38/82/173023882.db2.gz PMLFAQKNXZSYSA-UHFFFAOYSA-N 0 0 267.756 4.354 10 0 CIAERN Cc1cc(C)c([C@@H](C)Nc2cccc(F)c2)c(C)n1 ZINC000037202727 173026002 /nfs/dbraw/zinc/02/60/02/173026002.db2.gz NHUVVVGNHJPNJL-CYBMUJFWSA-N 0 0 258.340 4.319 10 0 CIAERN Cc1cc(C)c([C@H](C)Nc2cccc(F)c2)c(C)n1 ZINC000037202728 173026139 /nfs/dbraw/zinc/02/61/39/173026139.db2.gz NHUVVVGNHJPNJL-ZDUSSCGKSA-N 0 0 258.340 4.319 10 0 CIAERN Cc1csc2nc(C)c(CNc3cccc(Cl)c3)n12 ZINC000037202435 173026358 /nfs/dbraw/zinc/02/63/58/173026358.db2.gz VXZDOWSIQGHIHW-UHFFFAOYSA-N 0 0 291.807 4.278 10 0 CIAERN Cc1ccc2sc([C@@H]3Cc4ccccc4N3)nc2c1 ZINC000037204414 173027026 /nfs/dbraw/zinc/02/70/26/173027026.db2.gz GBTRFZWJGYLYFJ-AWEZNQCLSA-N 0 0 266.369 4.314 10 0 CIAERN Fc1ccc2sc([C@@H]3Cc4ccccc4N3)nc2c1 ZINC000037205130 173027269 /nfs/dbraw/zinc/02/72/69/173027269.db2.gz AZESVMKKOJSRNO-ZDUSSCGKSA-N 0 0 270.332 4.145 10 0 CIAERN O=Cc1cc(F)ccc1Oc1ccccc1Cl ZINC000037234539 173053576 /nfs/dbraw/zinc/05/35/76/173053576.db2.gz HIBRDRYJAUGGGM-UHFFFAOYSA-N 0 0 250.656 4.084 10 0 CIAERN Nc1ccc(CSc2ccccc2)c2ncccc12 ZINC000037285500 173091612 /nfs/dbraw/zinc/09/16/12/173091612.db2.gz CSRWWPRLIOQZCF-UHFFFAOYSA-N 0 0 266.369 4.109 10 0 CIAERN CCCCc1ccc(Nc2ccc(N)cc2F)cc1 ZINC000037287165 173093345 /nfs/dbraw/zinc/09/33/45/173093345.db2.gz VNWWLCOPFXDNLC-UHFFFAOYSA-N 0 0 258.340 4.494 10 0 CIAERN COc1ccc(CNc2ccc(Cl)c(F)c2)cc1C ZINC000037301043 173106237 /nfs/dbraw/zinc/10/62/37/173106237.db2.gz ZXHKXTOLWQJMGY-UHFFFAOYSA-N 0 0 279.742 4.408 10 0 CIAERN CCCC(CCC)Nc1ccccc1C(=O)OCC ZINC000037308400 173111392 /nfs/dbraw/zinc/11/13/92/173111392.db2.gz JITLXUMWOIOJAQ-UHFFFAOYSA-N 0 0 263.381 4.244 10 0 CIAERN O=C(CO[C@H]1CCCc2ccccc21)c1cccs1 ZINC000037344718 173143163 /nfs/dbraw/zinc/14/31/63/173143163.db2.gz JREMLTBVUNIPKF-HNNXBMFYSA-N 0 0 272.369 4.025 10 0 CIAERN Cc1ccc(C(=O)COC2CCC(C)CC2)c(C)c1 ZINC000037344334 173143453 /nfs/dbraw/zinc/14/34/53/173143453.db2.gz GAIXEUQVKQXKQR-UHFFFAOYSA-N 0 0 260.377 4.081 10 0 CIAERN Cc1ccccc1C(=O)c1c(C)c(C)cc(C)c1C ZINC000037353731 173146784 /nfs/dbraw/zinc/14/67/84/173146784.db2.gz LVPBVPGAGUJTGZ-UHFFFAOYSA-N 0 0 252.357 4.460 10 0 CIAERN Cc1cc(C)cc(C(=O)c2c(C)cc(C)cc2C)c1 ZINC000037354308 173146891 /nfs/dbraw/zinc/14/68/91/173146891.db2.gz YEYJXDBCSFBTSB-UHFFFAOYSA-N 0 0 252.357 4.460 10 0 CIAERN CCOc1ccc(C(=O)C(CC)CC)cc1OCC ZINC000037354458 173146962 /nfs/dbraw/zinc/14/69/62/173146962.db2.gz UVGGPQLJLSCFIT-UHFFFAOYSA-N 0 0 264.365 4.103 10 0 CIAERN Cc1cc(C)c(C)c(C(=O)Cc2ccccc2)c1C ZINC000037353709 173147107 /nfs/dbraw/zinc/14/71/07/173147107.db2.gz XBEBOKJTAKOJFQ-UHFFFAOYSA-N 0 0 252.357 4.346 10 0 CIAERN CCc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000037358045 173147742 /nfs/dbraw/zinc/14/77/42/173147742.db2.gz JSERUQVMDXBJDV-UHFFFAOYSA-N 0 0 258.748 4.328 10 0 CIAERN Cc1cc(N)ccc1Nc1ccc(OC(C)C)cc1 ZINC000037371802 173161209 /nfs/dbraw/zinc/16/12/09/173161209.db2.gz IHQRQXCJUKEXDH-UHFFFAOYSA-N 0 0 256.349 4.108 10 0 CIAERN O=C(c1cc(Cl)sc1Cl)c1ccccc1 ZINC000037378841 173167338 /nfs/dbraw/zinc/16/73/38/173167338.db2.gz NYTHKVNYZJTUCT-UHFFFAOYSA-N 0 0 257.141 4.286 10 0 CIAERN C[C@@H](OCc1ccc(Cl)c(N)c1)c1ccccc1 ZINC000037402814 173178958 /nfs/dbraw/zinc/17/89/58/173178958.db2.gz UZTRMMYEMMQQCB-LLVKDONJSA-N 0 0 261.752 4.200 10 0 CIAERN CCCc1cc(Cl)nc(-c2ccc(OCC)cc2)n1 ZINC000037409192 173185659 /nfs/dbraw/zinc/18/56/59/173185659.db2.gz PSLDZLPARUBACV-UHFFFAOYSA-N 0 0 276.767 4.148 10 0 CIAERN Cc1c(Cl)cccc1Nc1cccc(F)c1N ZINC000037419350 173196660 /nfs/dbraw/zinc/19/66/60/173196660.db2.gz NGASHIYPKSLTKF-UHFFFAOYSA-N 0 0 250.704 4.113 10 0 CIAERN Nc1c(F)cccc1Oc1cccc2ccccc21 ZINC000037420081 173197844 /nfs/dbraw/zinc/19/78/44/173197844.db2.gz XXGUYJIINRIEMS-UHFFFAOYSA-N 0 0 253.276 4.353 10 0 CIAERN Cc1ccc(Cn2c3cccc(F)c3[nH]c2=S)cc1 ZINC000037422283 173198154 /nfs/dbraw/zinc/19/81/54/173198154.db2.gz YNZDFPCFGVPKRK-UHFFFAOYSA-N 0 0 272.348 4.195 10 0 CIAERN Nc1nc2c(cccc2F)n1-c1cc(Cl)ccc1Cl ZINC000037421306 173198628 /nfs/dbraw/zinc/19/86/28/173198628.db2.gz XMDOEDSRNUWGSB-UHFFFAOYSA-N 0 0 296.132 4.054 10 0 CIAERN CC(C)n1c2ccc(F)cc2nc1-c1sccc1N ZINC000037439651 173209280 /nfs/dbraw/zinc/20/92/80/173209280.db2.gz ZXPGBUARQRAROS-UHFFFAOYSA-N 0 0 275.352 4.067 10 0 CIAERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)c1ccc(F)cc1 ZINC000037528885 173252327 /nfs/dbraw/zinc/25/23/27/173252327.db2.gz NJOCKPZXTWSLEW-APHBMKBZSA-N 0 0 250.357 4.106 10 0 CIAERN Cc1ccc([C@](C)(O)Cc2ccccc2Cl)cc1 ZINC000037530516 173252744 /nfs/dbraw/zinc/25/27/44/173252744.db2.gz NSLBLTPWZXSQAU-MRXNPFEDSA-N 0 0 260.764 4.099 10 0 CIAERN Cc1ccccc1[C@@](C)(O)c1ccc(Br)cc1 ZINC000037529264 173252807 /nfs/dbraw/zinc/25/28/07/173252807.db2.gz MNVUVZJQZIPTJZ-HNNXBMFYSA-N 0 0 291.188 4.013 10 0 CIAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)Cc1ccc(F)cc1 ZINC000037530091 173253003 /nfs/dbraw/zinc/25/30/03/173253003.db2.gz HTOARTFWCAJYMS-DOTOQJQBSA-N 0 0 264.384 4.336 10 0 CIAERN C[C@@](O)(Cc1ccccc1Cl)c1ccccc1Cl ZINC000037530886 173253311 /nfs/dbraw/zinc/25/33/11/173253311.db2.gz XDNRLLMGOXGABU-OAHLLOKOSA-N 0 0 281.182 4.444 10 0 CIAERN Cc1ccccc1C(=O)Cc1cccc(Br)c1 ZINC000037531986 173253425 /nfs/dbraw/zinc/25/34/25/173253425.db2.gz SBJRMCYYSNUROA-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN Cc1ccccc1C(=O)Cc1ccccc1Br ZINC000037531984 173253497 /nfs/dbraw/zinc/25/34/97/173253497.db2.gz WZVVRCBMEAJVCH-UHFFFAOYSA-N 0 0 289.172 4.183 10 0 CIAERN Cc1ccccc1[C@@H](O)Cc1ccc(Br)cc1 ZINC000037532565 173253713 /nfs/dbraw/zinc/25/37/13/173253713.db2.gz BGZQYCLBJHZURT-HNNXBMFYSA-N 0 0 291.188 4.034 10 0 CIAERN Cc1cccc(C[C@@H](O)c2cccc(Br)c2)c1 ZINC000037532700 173253838 /nfs/dbraw/zinc/25/38/38/173253838.db2.gz FMAVIKSEFYWZJJ-OAHLLOKOSA-N 0 0 291.188 4.034 10 0 CIAERN O[C@@H](Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000037532462 173253888 /nfs/dbraw/zinc/25/38/88/173253888.db2.gz NLIISNXFCQKNSF-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN Cc1cccc(C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000037532257 173254017 /nfs/dbraw/zinc/25/40/17/173254017.db2.gz JZMVWRHPWVZLIN-OAHLLOKOSA-N 0 0 291.188 4.034 10 0 CIAERN Cc1ccccc1C[C@H](O)c1ccc(Br)cc1 ZINC000037532258 173254097 /nfs/dbraw/zinc/25/40/97/173254097.db2.gz VCDFQJHSDGMPAT-HNNXBMFYSA-N 0 0 291.188 4.034 10 0 CIAERN C[C@H](Nc1ccn(C)n1)c1c(Cl)ccc(F)c1Cl ZINC000037560957 173271302 /nfs/dbraw/zinc/27/13/02/173271302.db2.gz SAOJSMRYDFVCIP-ZETCQYMHSA-N 0 0 288.153 4.039 10 0 CIAERN S=c1[nH]c2ccccc2n1CCCc1ccccc1 ZINC000037719685 173637804 /nfs/dbraw/zinc/63/78/04/173637804.db2.gz ITNBOPCMXSCFTN-UHFFFAOYSA-N 0 0 268.385 4.332 10 0 CIAERN Cc1cc([C@@H](O)Cc2ccccc2Cl)ccc1F ZINC000037734674 173654228 /nfs/dbraw/zinc/65/42/28/173654228.db2.gz ODQZCRRXDYQIGQ-HNNXBMFYSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1ccc(NCc2nc3cc(C)ccc3o2)cc1 ZINC000037746388 173668292 /nfs/dbraw/zinc/66/82/92/173668292.db2.gz DUUVXTAIELQRDT-UHFFFAOYSA-N 0 0 252.317 4.057 10 0 CIAERN Nc1ccc(N2CCCCCCC2)c(C(F)(F)F)c1 ZINC000037754385 173678000 /nfs/dbraw/zinc/67/80/00/173678000.db2.gz YCMXTONRUTULER-UHFFFAOYSA-N 0 0 272.314 4.058 10 0 CIAERN CCN(c1ccc(N)cc1C(F)(F)F)C1CCCC1 ZINC000037754583 173678269 /nfs/dbraw/zinc/67/82/69/173678269.db2.gz NUYMPBMEZJZPTF-UHFFFAOYSA-N 0 0 272.314 4.057 10 0 CIAERN Clc1ccc(-n2cccn2)c(NCc2cccs2)c1 ZINC000037774421 173706773 /nfs/dbraw/zinc/70/67/73/173706773.db2.gz YJTNQTYVCPUETL-UHFFFAOYSA-N 0 0 289.791 4.199 10 0 CIAERN CCSc1ccccc1N[C@@H]1CCCC[C@@H]1OC ZINC000037779317 173709742 /nfs/dbraw/zinc/70/97/42/173709742.db2.gz CRESNXXAGZSTKR-OCCSQVGLSA-N 0 0 265.422 4.168 10 0 CIAERN C[C@@H]1CCC[C@@H](Nc2cccc(-c3cnco3)c2)C1 ZINC000037779528 173710178 /nfs/dbraw/zinc/71/01/78/173710178.db2.gz QOHDQPDFNKELRI-TZMCWYRMSA-N 0 0 256.349 4.332 10 0 CIAERN CCOc1ccc(Cl)cc1NCc1ccsc1 ZINC000037780897 173710984 /nfs/dbraw/zinc/71/09/84/173710984.db2.gz QSZHWPKNNAVLDO-UHFFFAOYSA-N 0 0 267.781 4.412 10 0 CIAERN CCOc1ccc(NCc2ccc(C)cc2)c(C)c1 ZINC000037781765 173711845 /nfs/dbraw/zinc/71/18/45/173711845.db2.gz OJXJQYRXFNEWAI-UHFFFAOYSA-N 0 0 255.361 4.314 10 0 CIAERN OCc1c(Cl)cccc1Oc1ccc(F)cc1Cl ZINC000037902327 173833366 /nfs/dbraw/zinc/83/33/66/173833366.db2.gz QVJWQDZFFVAWIZ-UHFFFAOYSA-N 0 0 287.117 4.417 10 0 CIAERN Cc1csc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000037981579 173941732 /nfs/dbraw/zinc/94/17/32/173941732.db2.gz LATSGHDTAYIDKW-VIFPVBQESA-N 0 0 252.770 4.278 10 0 CIAERN Cc1ccccc1Sc1c(F)cc(N)cc1F ZINC000038040449 174040236 /nfs/dbraw/zinc/04/02/36/174040236.db2.gz AXLZMIDUERDCMA-UHFFFAOYSA-N 0 0 251.301 4.007 10 0 CIAERN Cc1ccc2cccc(Oc3c(F)cc(N)cc3F)c2n1 ZINC000038040374 174040488 /nfs/dbraw/zinc/04/04/88/174040488.db2.gz OAYNYZAPWCXRDH-UHFFFAOYSA-N 0 0 286.281 4.196 10 0 CIAERN Cc1ccc(C(C)C)cc1OCCOc1cccc(N)c1 ZINC000038052934 174064639 /nfs/dbraw/zinc/06/46/39/174064639.db2.gz BFAVVAYKLUEDHR-UHFFFAOYSA-N 0 0 285.387 4.158 10 0 CIAERN Clc1cccc(COc2cccc3c2NCCC3)c1 ZINC000038056307 174067742 /nfs/dbraw/zinc/06/77/42/174067742.db2.gz DGHILPRCOFZENJ-UHFFFAOYSA-N 0 0 273.763 4.277 10 0 CIAERN CNc1ccc(OCc2ccc(C(C)C)cc2)cc1 ZINC000038057233 174068254 /nfs/dbraw/zinc/06/82/54/174068254.db2.gz CYCWSAXOSHLHQO-UHFFFAOYSA-N 0 0 255.361 4.431 10 0 CIAERN Cc1ccc(N)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000038069029 174080323 /nfs/dbraw/zinc/08/03/23/174080323.db2.gz OIINKJHVZFLZGB-UHFFFAOYSA-N 0 0 251.251 4.263 10 0 CIAERN Nc1ccc(-c2ccc(SC(F)F)cc2)cc1F ZINC000038069077 174080652 /nfs/dbraw/zinc/08/06/52/174080652.db2.gz ROUUVXOZBBYWIK-UHFFFAOYSA-N 0 0 269.291 4.390 10 0 CIAERN O=Cc1ccc(F)c(-c2cccc3ccccc32)c1 ZINC000038069585 174081122 /nfs/dbraw/zinc/08/11/22/174081122.db2.gz ZNIUOSMFRHRHEO-UHFFFAOYSA-N 0 0 250.272 4.458 10 0 CIAERN CC(C)Oc1ccc(-c2cc(C=O)ccc2F)cc1 ZINC000038071916 174082563 /nfs/dbraw/zinc/08/25/63/174082563.db2.gz WFEMKKOBXWHOLQ-UHFFFAOYSA-N 0 0 258.292 4.092 10 0 CIAERN Cc1cc(C)cc(C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000038077207 174087627 /nfs/dbraw/zinc/08/76/27/174087627.db2.gz VKRNOFXUAJUDFM-MRXNPFEDSA-N 0 0 260.764 4.233 10 0 CIAERN O[C@@H](Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000038078410 174088798 /nfs/dbraw/zinc/08/87/98/174088798.db2.gz UAZAXXIFEBUNGP-AWEZNQCLSA-N 0 0 267.155 4.270 10 0 CIAERN Oc1ccc(Sc2ccc3ccccc3n2)cc1 ZINC000038079200 174089378 /nfs/dbraw/zinc/08/93/78/174089378.db2.gz XXQPEAFAFTXWNR-UHFFFAOYSA-N 0 0 253.326 4.092 10 0 CIAERN CC[C@@H](C)c1ccccc1Oc1cncc(Cl)n1 ZINC000038082335 174091117 /nfs/dbraw/zinc/09/11/17/174091117.db2.gz OATPZIPQHOIOMO-SNVBAGLBSA-N 0 0 262.740 4.436 10 0 CIAERN FC(F)(F)c1ccc(Oc2nsnc2Cl)cc1 ZINC000038082172 174091252 /nfs/dbraw/zinc/09/12/52/174091252.db2.gz RNQZCGXNDZHLBX-UHFFFAOYSA-N 0 0 280.658 4.003 10 0 CIAERN Nc1ccc2[nH]c(-c3ccccc3-c3ccccc3)nc2c1 ZINC000038304034 174138876 /nfs/dbraw/zinc/13/88/76/174138876.db2.gz RZABADNPHMYRHI-UHFFFAOYSA-N 0 0 285.350 4.479 10 0 CIAERN c1cc(C2SCCS2)ccc1O[C@H]1CCCCO1 ZINC000038341094 174140049 /nfs/dbraw/zinc/14/00/49/174140049.db2.gz ZMSOBXKRDPKAHT-ZDUSSCGKSA-N 0 0 282.430 4.071 10 0 CIAERN S=c1sc2c(s1)SCCSCCS2 ZINC000038527486 174144251 /nfs/dbraw/zinc/14/42/51/174144251.db2.gz PBENYJQRNSFNJW-UHFFFAOYSA-N 0 0 284.543 4.470 10 0 CIAERN C/C(=C\[C@@H]1C(C)=CCCC1(C)C)[C@@]1(C)OC[C@@H](C)O1 ZINC000038652038 174150794 /nfs/dbraw/zinc/15/07/94/174150794.db2.gz OLJZZCKBGUFAEV-UNMWIBQSSA-N 0 0 264.409 4.467 10 0 CIAERN COC(=O)c1cc(O)c2cccc(Oc3ccccc3)c2c1 ZINC000039003435 174161301 /nfs/dbraw/zinc/16/13/01/174161301.db2.gz BCUKASGJHOZHHN-UHFFFAOYSA-N 0 0 294.306 4.124 10 0 CIAERN Cc1ccnc2ccc(-c3nc4ccccc4[nH]3)cc12 ZINC000039218815 174166144 /nfs/dbraw/zinc/16/61/44/174166144.db2.gz WSPCNLIEWWUXHB-UHFFFAOYSA-N 0 0 259.312 4.087 10 0 CIAERN O[C@H](c1nc2ccccc2s1)c1ccccc1Cl ZINC000039614593 174170630 /nfs/dbraw/zinc/17/06/30/174170630.db2.gz NBVLNGFJNYOSMY-ZDUSSCGKSA-N 0 0 275.760 4.031 10 0 CIAERN COc1ccc(Nc2ccnc3c(F)cccc23)cc1OC ZINC000039963704 174179666 /nfs/dbraw/zinc/17/96/66/174179666.db2.gz MMAHMKKRSLILMI-UHFFFAOYSA-N 0 0 298.317 4.135 10 0 CIAERN CC(=O)c1ccccc1Nc1ccnc2c(F)cccc12 ZINC000039963754 174179884 /nfs/dbraw/zinc/17/98/84/174179884.db2.gz BLESBGUDJPJVMW-UHFFFAOYSA-N 0 0 280.302 4.320 10 0 CIAERN CC(C)(C)c1ccc(-c2nc(-c3ccco3)n[nH]2)cc1 ZINC000040174253 174200434 /nfs/dbraw/zinc/20/04/34/174200434.db2.gz OCHWSSIXFVDWDS-UHFFFAOYSA-N 0 0 267.332 4.029 10 0 CIAERN Cc1ccc(OCCn2cnc3cc(C)c(C)cc32)c(C)c1 ZINC000040224033 174207391 /nfs/dbraw/zinc/20/73/91/174207391.db2.gz WKYRPEBZYPAZKJ-UHFFFAOYSA-N 0 0 294.398 4.349 10 0 CIAERN O[C@@H](CC(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000040245107 174214583 /nfs/dbraw/zinc/21/45/83/174214583.db2.gz NTWBMYMHVYFOME-AWEZNQCLSA-N 0 0 266.262 4.339 10 0 CIAERN O[C@H](c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000040245124 174214631 /nfs/dbraw/zinc/21/46/31/174214631.db2.gz NMKGDRPFJKZGMN-KRWDZBQOSA-N 0 0 266.365 4.497 10 0 CIAERN O[C@@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000040247581 174215038 /nfs/dbraw/zinc/21/50/38/174215038.db2.gz QRTPUNHXTUWUGD-LLVKDONJSA-N 0 0 259.157 4.137 10 0 CIAERN CCCCC[C@H](O)c1ccc(OCC)c(OCC)c1 ZINC000040248215 174215518 /nfs/dbraw/zinc/21/55/18/174215518.db2.gz ASBXEZAHLFVQKH-AWEZNQCLSA-N 0 0 266.381 4.098 10 0 CIAERN Cc1cc(Nc2ccccc2F)nc2ccccc12 ZINC000040400814 174253401 /nfs/dbraw/zinc/25/34/01/174253401.db2.gz WXXSJZIEDBTSLR-UHFFFAOYSA-N 0 0 252.292 4.426 10 0 CIAERN CCCn1c2ccc(C(F)(F)F)cc2nc1CC ZINC000040417441 174255866 /nfs/dbraw/zinc/25/58/66/174255866.db2.gz CRQZVSLXOLPERE-UHFFFAOYSA-N 0 0 256.271 4.028 10 0 CIAERN CCn1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040417206 174256139 /nfs/dbraw/zinc/25/61/39/174256139.db2.gz IKPINUPYFNHRFG-UHFFFAOYSA-N 0 0 256.736 4.377 10 0 CIAERN Cc1cc(NCC(C)(C)C)ccc1Br ZINC000041326379 174522665 /nfs/dbraw/zinc/52/26/65/174522665.db2.gz ULAVZHZDFHNVTK-UHFFFAOYSA-N 0 0 256.187 4.216 10 0 CIAERN Cc1ccc(NCC(C)(C)C)c(Br)c1 ZINC000041326376 174522745 /nfs/dbraw/zinc/52/27/45/174522745.db2.gz VEQDOFFROJKBRQ-UHFFFAOYSA-N 0 0 256.187 4.216 10 0 CIAERN CCCc1ccc(C(=O)c2ccc(N)c(Cl)c2)cc1 ZINC000041410313 174548762 /nfs/dbraw/zinc/54/87/62/174548762.db2.gz UYXRRYFKHMDVSE-UHFFFAOYSA-N 0 0 273.763 4.106 10 0 CIAERN Cc1ccccc1C[C@H](CO)Cc1ccc(Cl)cc1 ZINC000041412290 174549029 /nfs/dbraw/zinc/54/90/29/174549029.db2.gz UUSSTQASXAHWIF-OAHLLOKOSA-N 0 0 274.791 4.042 10 0 CIAERN CCCOc1ccc(C(=O)c2ccccc2Cl)cc1 ZINC000041412164 174549057 /nfs/dbraw/zinc/54/90/57/174549057.db2.gz GXDPISLNGWCIAT-UHFFFAOYSA-N 0 0 274.747 4.360 10 0 CIAERN Cc1cc(C)cc(OCCNc2ccc(Cl)cc2)c1 ZINC000041414047 174549757 /nfs/dbraw/zinc/54/97/57/174549757.db2.gz NDPJATOTUADNMH-UHFFFAOYSA-N 0 0 275.779 4.448 10 0 CIAERN FC(F)(F)c1ccc(NCCOc2ccccc2)cc1 ZINC000041436777 174552913 /nfs/dbraw/zinc/55/29/13/174552913.db2.gz PYCMIJBMFWFPJH-UHFFFAOYSA-N 0 0 281.277 4.196 10 0 CIAERN Cc1cc(C)c(C)c(C(=O)c2ccc(N)c(Cl)c2)c1C ZINC000041464251 174556430 /nfs/dbraw/zinc/55/64/30/174556430.db2.gz RRCDOCWRFNAVMM-UHFFFAOYSA-N 0 0 287.790 4.387 10 0 CIAERN CCc1ccc(C[C@@H](CO)Cc2ccc(Cl)cc2)cc1 ZINC000041465254 174556948 /nfs/dbraw/zinc/55/69/48/174556948.db2.gz ULUIQVQBNSQBMO-QGZVFWFLSA-N 0 0 288.818 4.296 10 0 CIAERN COc1ccc(NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000041571131 174569232 /nfs/dbraw/zinc/56/92/32/174569232.db2.gz NVJPCJWJUHGSKK-UHFFFAOYSA-N 0 0 299.414 4.484 10 0 CIAERN Cc1cc(C(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1N ZINC000041580883 174570973 /nfs/dbraw/zinc/57/09/73/174570973.db2.gz JVUOJKRHRYGPKB-VMGRFDJRSA-N 0 0 289.419 4.195 10 0 CIAERN COc1ccc(Cl)c2c(Cl)c(Cl)cnc12 ZINC000041702548 174608818 /nfs/dbraw/zinc/60/88/18/174608818.db2.gz RPIYDZYBZBCWPU-UHFFFAOYSA-N 0 0 262.523 4.204 10 0 CIAERN C[C@H](NC(=O)CC(C)(C)C)c1cccc(Br)c1 ZINC000042238908 174662123 /nfs/dbraw/zinc/66/21/23/174662123.db2.gz XZQKQXWLHUTXCV-JTQLQIEISA-N 0 0 298.224 4.063 10 0 CIAERN c1csc([C@H](Nc2ccc3c(c2)OCO3)C2CC2)c1 ZINC000042328693 174686626 /nfs/dbraw/zinc/68/66/26/174686626.db2.gz YSWFOVCGHBDGEO-OAHLLOKOSA-N 0 0 273.357 4.040 10 0 CIAERN CC[C@@H](C)[C@@H](C)n1c2ccc(F)cc2[nH]c1=S ZINC000042557669 174794225 /nfs/dbraw/zinc/79/42/25/174794225.db2.gz WDTTUQBIESIHJH-RKDXNWHRSA-N 0 0 252.358 4.445 10 0 CIAERN CC(C)CN(c1ccc(N)cc1C(F)(F)F)C(C)C ZINC000042578921 174804317 /nfs/dbraw/zinc/80/43/17/174804317.db2.gz PSMRGNFITQQFJJ-UHFFFAOYSA-N 0 0 274.330 4.158 10 0 CIAERN Cc1ccc(F)c(NCc2ccc(O)c(Cl)c2)c1 ZINC000043477345 175054382 /nfs/dbraw/zinc/05/43/82/175054382.db2.gz VJDQVFMWUQEMTL-UHFFFAOYSA-N 0 0 265.715 4.105 10 0 CIAERN Cc1ccccc1Cc1nc(-c2ccc(N)cc2)cs1 ZINC000043560405 175066514 /nfs/dbraw/zinc/06/65/14/175066514.db2.gz HNGBYVCSQNYIOR-UHFFFAOYSA-N 0 0 280.396 4.292 10 0 CIAERN CCc1ccc([C@H](O)c2ccc(Cl)s2)s1 ZINC000043640398 175084609 /nfs/dbraw/zinc/08/46/09/175084609.db2.gz IQKKYWIAGGBCPE-NSHDSACASA-N 0 0 258.795 4.107 10 0 CIAERN CC[C@H]1CCC(=O)[C@H](Cc2ccc(Cl)s2)C1 ZINC000043653523 175085399 /nfs/dbraw/zinc/08/53/99/175085399.db2.gz KLUDWKAZOQPYNX-UWVGGRQHSA-N 0 0 256.798 4.339 10 0 CIAERN CC[C@@H]1CCC(=O)[C@@H](Cc2ccc(Cl)s2)C1 ZINC000043653524 175085446 /nfs/dbraw/zinc/08/54/46/175085446.db2.gz KLUDWKAZOQPYNX-NXEZZACHSA-N 0 0 256.798 4.339 10 0 CIAERN Brc1csc(CN2CCc3ccccc32)c1 ZINC000043686963 175094443 /nfs/dbraw/zinc/09/44/43/175094443.db2.gz QPXBCOWRNLXBPW-UHFFFAOYSA-N 0 0 294.217 4.073 10 0 CIAERN Brc1csc(COCc2ccccc2)c1 ZINC000043687509 175094942 /nfs/dbraw/zinc/09/49/42/175094942.db2.gz MDJRPPSHHATCRY-UHFFFAOYSA-N 0 0 283.190 4.227 10 0 CIAERN Cc1c(O)cccc1OCc1cc(Br)cs1 ZINC000043687957 175095014 /nfs/dbraw/zinc/09/50/14/175095014.db2.gz VKXWNMCEAUWPJD-UHFFFAOYSA-N 0 0 299.189 4.104 10 0 CIAERN Fc1ccccc1OCc1cc(Br)cs1 ZINC000043687534 175095030 /nfs/dbraw/zinc/09/50/30/175095030.db2.gz KTGJATNRYHFAGO-UHFFFAOYSA-N 0 0 287.153 4.229 10 0 CIAERN C[C@H]1CCC(=O)[C@@H](Cc2cc(Br)cs2)C1 ZINC000043688000 175095040 /nfs/dbraw/zinc/09/50/40/175095040.db2.gz APGRGDYUPJOSGS-DTWKUNHWSA-N 0 0 287.222 4.058 10 0 CIAERN C[C@@H]1CCC(=O)[C@H](Cc2cc(Br)cs2)C1 ZINC000043687997 175095092 /nfs/dbraw/zinc/09/50/92/175095092.db2.gz APGRGDYUPJOSGS-BDAKNGLRSA-N 0 0 287.222 4.058 10 0 CIAERN Fc1ccccc1-c1ccc(Br)s1 ZINC000044120973 175142846 /nfs/dbraw/zinc/14/28/46/175142846.db2.gz LKNQBLGKDJHOPU-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN Cc1ccc2occ(/C=C/c3ccccc3)c(=O)c2c1 ZINC000044604482 175215794 /nfs/dbraw/zinc/21/57/94/175215794.db2.gz IFQHDNJVTFYZAR-CMDGGOBGSA-N 0 0 262.308 4.272 10 0 CIAERN CC(C)(c1ccc(O)cc1)c1ccc(O)c(Cl)c1 ZINC000044699401 175235460 /nfs/dbraw/zinc/23/54/60/175235460.db2.gz XLRAFMYRFQJARM-UHFFFAOYSA-N 0 0 262.736 4.077 10 0 in-vitro CIAERN CCOC(=O)[C@@]1(C)CCC=C(CCC=C(C)C)C1 ZINC000044709911 175236150 /nfs/dbraw/zinc/23/61/50/175236150.db2.gz YWGWPZZZWHDBPD-INIZCTEOSA-N 0 0 250.382 4.413 10 0 CIAERN Cc1cc([C@@H]2CCCN2c2cc(C)c3ccccc3n2)no1 ZINC000044725023 175237529 /nfs/dbraw/zinc/23/75/29/175237529.db2.gz JEKCQJZZPJSYTD-KRWDZBQOSA-N 0 0 293.370 4.181 10 0 CIAERN Nc1ccc(N2CCC[C@@H]2C2CCCC2)c(Cl)c1 ZINC000045071419 175301155 /nfs/dbraw/zinc/30/11/55/175301155.db2.gz IEMCMQGZJSAOQO-CQSZACIVSA-N 0 0 264.800 4.081 10 0 CIAERN Cc1cc(NC2CCCC2)nc(Nc2ccccc2C)n1 ZINC000045191306 175326501 /nfs/dbraw/zinc/32/65/01/175326501.db2.gz DLLNFXFSICJNCQ-UHFFFAOYSA-N 0 0 282.391 4.192 10 0 CIAERN CC(C)(C)c1cc(Cn2ccnc2)cc(C(C)(C)C)c1O ZINC000045323923 175359536 /nfs/dbraw/zinc/35/95/36/175359536.db2.gz FEDKNPFKYFCOIB-UHFFFAOYSA-N 0 0 286.419 4.232 10 0 CIAERN O=C(c1ccc(-c2ccccc2)s1)C(F)(F)F ZINC000045322851 175359778 /nfs/dbraw/zinc/35/97/78/175359778.db2.gz HERMOPXAGLIBKI-UHFFFAOYSA-N 0 0 256.248 4.160 10 0 CIAERN Cc1cc(NC2CCCCC2)nc(Nc2ccccc2)n1 ZINC000045387318 175372695 /nfs/dbraw/zinc/37/26/95/175372695.db2.gz UOWADVCBOHRKMY-UHFFFAOYSA-N 0 0 282.391 4.273 10 0 CIAERN S=c1cc(-c2ccccc2)nc(-c2ccccc2)[nH]1 ZINC000045956052 175389235 /nfs/dbraw/zinc/38/92/35/175389235.db2.gz XJQVEQKYEQGFCX-UHFFFAOYSA-N 0 0 264.353 4.099 10 0 CIAERN O=C(CCCSc1ccccc1)NC1CCCCC1 ZINC000046466985 175396968 /nfs/dbraw/zinc/39/69/68/175396968.db2.gz DFRLJFMAXNTSJA-UHFFFAOYSA-N 0 0 277.433 4.008 10 0 CIAERN CCCNc1nc(-c2cccs2)nc2ccccc21 ZINC000054614450 175562331 /nfs/dbraw/zinc/56/23/31/175562331.db2.gz MVLKWRSMSPQXFZ-UHFFFAOYSA-N 0 0 269.373 4.180 10 0 CIAERN CC(C)(C)OC(=O)Nc1cccc(-c2cccc(O)c2)c1 ZINC000065340177 175710416 /nfs/dbraw/zinc/71/04/16/175710416.db2.gz RIVUCGCQOUQKAW-UHFFFAOYSA-N 0 0 285.343 4.406 10 0 CIAERN CCSc1ccc(-c2ccc(OC)c(O)c2)cc1 ZINC000065342711 175712364 /nfs/dbraw/zinc/71/23/64/175712364.db2.gz SUUIAAQHBKOVPI-UHFFFAOYSA-N 0 0 260.358 4.180 10 0 CIAERN Oc1cc(OC(F)(F)F)cc(-c2cccc(F)c2F)c1 ZINC000065344132 175714020 /nfs/dbraw/zinc/71/40/20/175714020.db2.gz XXDHNHUBOFYNSR-UHFFFAOYSA-N 0 0 290.187 4.236 10 0 CIAERN O=C(/C=C/c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000070236721 175882908 /nfs/dbraw/zinc/88/29/08/175882908.db2.gz OGJOMXQPBHQZSJ-BQYQJAHWSA-N 0 0 284.186 4.019 10 0 CIAERN O=C(Oc1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000070237526 175883418 /nfs/dbraw/zinc/88/34/18/175883418.db2.gz ITODAJBQNPIATJ-CYBMUJFWSA-N 0 0 273.357 4.084 10 0 CIAERN O=C(c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000070735811 176004274 /nfs/dbraw/zinc/00/42/74/176004274.db2.gz FJBPGXYEYDPQHI-UHFFFAOYSA-N 0 0 293.082 4.061 10 0 CIAERN Cc1c(C)c(Nc2cc(Cl)ccc2F)nnc1Cl ZINC000071171271 176051434 /nfs/dbraw/zinc/05/14/34/176051434.db2.gz YBXRILUOAYLYRY-UHFFFAOYSA-N 0 0 286.137 4.283 10 0 CIAERN Cc1c(Cl)nnc(NCCc2ccc(Cl)cc2)c1C ZINC000071171441 176052069 /nfs/dbraw/zinc/05/20/69/176052069.db2.gz WPQDGWLBAYGSKI-UHFFFAOYSA-N 0 0 296.201 4.055 10 0 CIAERN CC(C)(C)OC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000071250496 176094938 /nfs/dbraw/zinc/09/49/38/176094938.db2.gz OQADSGWHAVKCHF-UHFFFAOYSA-N 0 0 297.354 4.265 10 0 CIAERN Cc1cccc2c(C=O)c(Cl)n(Cc3ccccc3)c21 ZINC000071465281 176181444 /nfs/dbraw/zinc/18/14/44/176181444.db2.gz DYDUAABCUQJQSG-UHFFFAOYSA-N 0 0 283.758 4.464 10 0 CIAERN Cc1nc(-c2ccc(Br)s2)sc1C ZINC000071477060 176187650 /nfs/dbraw/zinc/18/76/50/176187650.db2.gz RFPHQSXPWOFEMW-UHFFFAOYSA-N 0 0 274.208 4.251 10 0 CIAERN CC(C)(C)c1ccccc1NC(=O)C(C)(C)Br ZINC000071652443 176241671 /nfs/dbraw/zinc/24/16/71/176241671.db2.gz CAWZECOBXSEQJO-UHFFFAOYSA-N 0 0 298.224 4.096 10 0 CIAERN CC(C)=CCc1cc2ccc(=O)oc2c2c1O[C@H](C)C2(C)C ZINC000071973434 176305925 /nfs/dbraw/zinc/30/59/25/176305925.db2.gz BAIIXXDRGLNUDG-GFCCVEGCSA-N 0 0 298.382 4.360 10 0 CIAERN Clc1csc2c(Br)csc12 ZINC000072188033 176335921 /nfs/dbraw/zinc/33/59/21/176335921.db2.gz ABOHHTAJXSGUOA-UHFFFAOYSA-N 0 0 253.573 4.379 10 0 CIAERN Fc1cccc(-c2ccsc2Br)c1 ZINC000072191890 176336371 /nfs/dbraw/zinc/33/63/71/176336371.db2.gz JDJWKKPCWFJUIB-UHFFFAOYSA-N 0 0 257.127 4.317 10 0 CIAERN FC(F)(F)c1cc(Br)cc(C2CC2)c1 ZINC000072193357 176336529 /nfs/dbraw/zinc/33/65/29/176336529.db2.gz GLVFQBBTYSNGGO-UHFFFAOYSA-N 0 0 265.072 4.345 10 0 CIAERN Brc1ccc(Br)c(C2CC2)c1 ZINC000072193347 176336624 /nfs/dbraw/zinc/33/66/24/176336624.db2.gz VYKVSOWVSKRSLK-UHFFFAOYSA-N 0 0 275.971 4.089 10 0 CIAERN Cc1cc(F)ccc1-c1scnc1Br ZINC000072192338 176336657 /nfs/dbraw/zinc/33/66/57/176336657.db2.gz SZYRGWFAYXTXLV-UHFFFAOYSA-N 0 0 272.142 4.020 10 0 CIAERN CCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)CCC3 ZINC000072451676 176404715 /nfs/dbraw/zinc/40/47/15/176404715.db2.gz OMYLKDDJCVDEOT-UHFFFAOYSA-N 0 0 297.789 4.101 10 0 CIAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)cc1 ZINC000078820161 177393671 /nfs/dbraw/zinc/39/36/71/177393671.db2.gz RRPCOVLJLFDLDP-NSHDSACASA-N 0 0 291.753 4.279 10 0 CIAERN Cc1csc2c1ncnc2N[C@H](C)c1cccs1 ZINC000191135492 226528713 /nfs/dbraw/zinc/52/87/13/226528713.db2.gz OZPXOZAQAQMPNJ-SECBINFHSA-N 0 0 275.402 4.234 10 0 CIAERN CC(C)n1ccnc1CSc1ccc2c(c1)CCC2 ZINC000171677949 335074031 /nfs/dbraw/zinc/07/40/31/335074031.db2.gz QLLYUNSXVWJHHR-UHFFFAOYSA-N 0 0 272.417 4.245 10 0 CIAERN C[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1cccs1 ZINC000179546613 260054453 /nfs/dbraw/zinc/05/44/53/260054453.db2.gz XNUZRVMTJSHKDD-QMMMGPOBSA-N 0 0 283.755 4.032 10 0 CIAERN Cc1ccc(Br)c(NC(=O)[C@H]2CCC[C@@H]2C)c1 ZINC000230063751 260144881 /nfs/dbraw/zinc/14/48/81/260144881.db2.gz BHHPDPZXNLLFKB-QWRGUYRKSA-N 0 0 296.208 4.132 10 0 CIAERN CC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000070163718 260152549 /nfs/dbraw/zinc/15/25/49/260152549.db2.gz XDRQOIWJADTGCL-MRXNPFEDSA-N 0 0 278.355 4.049 10 0 CIAERN CC[C@@H](Nc1cn(C)nc1C(C)C)c1ccc(C)cc1 ZINC000312705131 260192885 /nfs/dbraw/zinc/19/28/85/260192885.db2.gz DKKFRMDORUUJLY-OAHLLOKOSA-N 0 0 271.408 4.415 10 0 CIAERN CC[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000088733325 260234591 /nfs/dbraw/zinc/23/45/91/260234591.db2.gz DWYVMFVLQZWCDD-INIZCTEOSA-N 0 0 278.355 4.049 10 0 CIAERN C[C@H](N[C@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963160 260264177 /nfs/dbraw/zinc/26/41/77/260264177.db2.gz ODIVLEYMISFHEQ-NHYWBVRUSA-N 0 0 289.325 4.139 10 0 CIAERN CC1(C)C[C@H](Nc2ccnc(Cl)c2)c2ccccc2O1 ZINC000129922104 260391266 /nfs/dbraw/zinc/39/12/66/260391266.db2.gz CEFUFGUPRXWRFZ-ZDUSSCGKSA-N 0 0 288.778 4.449 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1F ZINC000088234848 260663833 /nfs/dbraw/zinc/66/38/33/260663833.db2.gz HTRXKJXGAUPNAH-NSHDSACASA-N 0 0 291.753 4.279 10 0 CIAERN Cc1[nH]ccc1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000175014686 261205059 /nfs/dbraw/zinc/20/50/59/261205059.db2.gz PGNOOIKEUHTEAC-QMMMGPOBSA-N 0 0 297.185 4.121 10 0 CIAERN CCn1ccnc1CSCc1csc(C(C)(C)C)n1 ZINC000175292148 261217252 /nfs/dbraw/zinc/21/72/52/261217252.db2.gz REDPKQQPRGNZLW-UHFFFAOYSA-N 0 0 295.477 4.090 10 0 CIAERN Cc1ccc(N[C@H](C)c2cncs2)cc1Cl ZINC000162825516 261295544 /nfs/dbraw/zinc/29/55/44/261295544.db2.gz BXDPCHVPZYHSBI-SECBINFHSA-N 0 0 252.770 4.278 10 0 CIAERN C[C@H](CNc1ccc(Cl)cn1)c1ccsc1 ZINC000301439039 261333822 /nfs/dbraw/zinc/33/38/22/261333822.db2.gz UKAZNOOKLVZYHF-SECBINFHSA-N 0 0 252.770 4.012 10 0 CIAERN C[C@H](CNc1cncc(Br)c1)c1cccs1 ZINC000301385669 261334515 /nfs/dbraw/zinc/33/45/15/261334515.db2.gz CHXMTCJKXXYLCL-SECBINFHSA-N 0 0 297.221 4.121 10 0 CIAERN C[C@H](COCc1ccccc1)[NH2+][C@H]1CCc2c1cccc2F ZINC000390525620 262208654 /nfs/dbraw/zinc/20/86/54/262208654.db2.gz IUZDMVAVHIFBHE-KUHUBIRLSA-N 0 0 299.389 4.008 10 0 CIAERN C[C@H](NC(=O)C(C1CC1)C1CC1)c1ccc(Cl)s1 ZINC000093077344 262365964 /nfs/dbraw/zinc/36/59/64/262365964.db2.gz LQTGRMQWFCHUNI-QMMMGPOBSA-N 0 0 283.824 4.015 10 0 CIAERN CCc1cnc([C@@H](C)Nc2nc(C(C)(C)C)ns2)s1 ZINC000125017226 262583806 /nfs/dbraw/zinc/58/38/06/262583806.db2.gz BYZHIMMFSVYSSP-MRVPVSSYSA-N 0 0 296.465 4.028 10 0 CIAERN Cc1cscc1NCc1cc(F)cc(Cl)c1 ZINC000393795442 263138336 /nfs/dbraw/zinc/13/83/36/263138336.db2.gz JOCWGFCWVZQNBZ-UHFFFAOYSA-N 0 0 255.745 4.461 10 0 CIAERN CCn1ccnc1CSCc1ccc(Cl)cc1F ZINC000187852004 263272428 /nfs/dbraw/zinc/27/24/28/263272428.db2.gz NNRXKIKIRPBYEY-UHFFFAOYSA-N 0 0 284.787 4.129 10 0 CIAERN Cc1nc(Cl)cc(N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000052836687 264121864 /nfs/dbraw/zinc/12/18/64/264121864.db2.gz CIPWUYVLLVHDRN-LURJTMIESA-N 0 0 288.203 4.326 10 0 CIAERN CCn1c2ccccc2nc1[C@H](C)NCc1ccccc1F ZINC000127044808 264246920 /nfs/dbraw/zinc/24/69/20/264246920.db2.gz AWTNSOPCGSONPK-ZDUSSCGKSA-N 0 0 297.377 4.046 10 0 CIAERN CCn1c2ccccc2nc1[C@@H](C)NCc1ccccc1F ZINC000127044536 264247106 /nfs/dbraw/zinc/24/71/06/264247106.db2.gz AWTNSOPCGSONPK-CYBMUJFWSA-N 0 0 297.377 4.046 10 0 CIAERN C[C@H](O)[C@H](C)Oc1ccc(-c2ccccc2)cc1Cl ZINC000094654884 265249045 /nfs/dbraw/zinc/24/90/45/265249045.db2.gz SZIDRBNPQXTWQZ-RYUDHWBXSA-N 0 0 276.763 4.155 10 0 CIAERN COc1ccc(F)c(N[C@@H](C)c2cccc(F)c2)c1 ZINC000094854468 265258487 /nfs/dbraw/zinc/25/84/87/265258487.db2.gz YYOXPRFPJVXWRQ-JTQLQIEISA-N 0 0 263.287 4.147 10 0 CIAERN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)cc1F ZINC000094836714 265262270 /nfs/dbraw/zinc/26/22/70/265262270.db2.gz GEAGZAJDDKKGNM-UGSOOPFHSA-N 0 0 269.363 4.472 10 0 CIAERN CC[C@H](Nc1cc(OC)ccc1F)c1ccccc1 ZINC000094854540 265263268 /nfs/dbraw/zinc/26/32/68/265263268.db2.gz UQOQVRYVDKTEMZ-HNNXBMFYSA-N 0 0 259.324 4.398 10 0 CIAERN Cc1nc(N[C@@H](C)c2ccc(C)c(F)c2)sc1C ZINC000094957941 265279173 /nfs/dbraw/zinc/27/91/73/265279173.db2.gz XHFNVINONYWPHG-JTQLQIEISA-N 0 0 264.369 4.381 10 0 CIAERN CC(C)C[C@@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116045779 267121152 /nfs/dbraw/zinc/12/11/52/267121152.db2.gz RLOKGOVPQXMFLN-KGLIPLIRSA-N 0 0 263.381 4.015 10 0 CIAERN O=C(c1ccc(F)cc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116045306 267121288 /nfs/dbraw/zinc/12/12/88/267121288.db2.gz HIAFVFQRMPYJDP-ZDUSSCGKSA-N 0 0 293.725 4.049 10 0 CIAERN Cc1ccc2cc(C(=O)N3CCC[C@H]3c3ccco3)[nH]c2c1 ZINC000116212346 267133999 /nfs/dbraw/zinc/13/39/99/267133999.db2.gz FZBWEDFXVDSXHU-INIZCTEOSA-N 0 0 294.354 4.047 10 0 CIAERN O=C(CC/C=C/c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000120847269 267518639 /nfs/dbraw/zinc/51/86/39/267518639.db2.gz BOAKSZKHVFRNFZ-COKXLDBZSA-N 0 0 295.382 4.437 10 0 CIAERN CCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H](C)Cc1ccsc1 ZINC000187091760 327709551 /nfs/dbraw/zinc/70/95/51/327709551.db2.gz VYMCODMJZIJGIA-QWHCGFSZSA-N 0 0 296.480 4.145 10 0 CIAERN CC[C@@H](Nc1ccc(OC(F)F)cn1)c1cccs1 ZINC000302708883 327722008 /nfs/dbraw/zinc/72/20/08/327722008.db2.gz YXWAASUORNRGAF-SNVBAGLBSA-N 0 0 284.331 4.308 10 0 CIAERN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)nc2)o1 ZINC000179096279 327799229 /nfs/dbraw/zinc/79/92/29/327799229.db2.gz KGXHJQBWGPTJLJ-MNOVXSKESA-N 0 0 264.756 4.048 10 0 CIAERN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1cscn1 ZINC000534328668 328046127 /nfs/dbraw/zinc/04/61/27/328046127.db2.gz FEFZWNKCZWEIAY-IUODEOHRSA-N 0 0 272.417 4.261 10 0 CIAERN CSc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)o1 ZINC000112229521 328393612 /nfs/dbraw/zinc/39/36/12/328393612.db2.gz RNCULMHJJOCSQS-VIFPVBQESA-N 0 0 295.791 4.146 10 0 CIAERN CCC[C@H](C)CC(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000109705849 326864049 /nfs/dbraw/zinc/86/40/49/326864049.db2.gz TUGFGWCCHCAVGI-JSGCOSHPSA-N 0 0 277.408 4.007 10 0 CIAERN Clc1sccc1CN[C@@H]1CCOc2ccccc21 ZINC000312583632 326919192 /nfs/dbraw/zinc/91/91/92/326919192.db2.gz YZCGECIVJUAIID-GFCCVEGCSA-N 0 0 279.792 4.015 10 0 CIAERN Cc1ccc(/C=C\CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000255501138 326986150 /nfs/dbraw/zinc/98/61/50/326986150.db2.gz BDIQTQRHEJDTNH-MFBWXBCUSA-N 0 0 285.412 4.337 10 0 CIAERN CCCn1ccc(CNc2cccc(Br)c2)c1 ZINC000091009273 327182708 /nfs/dbraw/zinc/18/27/08/327182708.db2.gz OBBPLFQZXSHGGW-UHFFFAOYSA-N 0 0 293.208 4.273 10 0 CIAERN CCC[C@H](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000109705625 327263057 /nfs/dbraw/zinc/26/30/57/327263057.db2.gz GEQZSVODWGBPAL-RYUDHWBXSA-N 0 0 267.800 4.344 10 0 CIAERN Clc1ccc(N[C@@H]2CCCc3ccccc32)nc1 ZINC000051632643 328626303 /nfs/dbraw/zinc/62/63/03/328626303.db2.gz OWFCSGDUOBVWNT-CQSZACIVSA-N 0 0 258.752 4.225 10 0 CIAERN CCn1ccnc1CNc1ccc(-c2ccccc2)cc1 ZINC000051922437 328636530 /nfs/dbraw/zinc/63/65/30/328636530.db2.gz UKZQVOCFEXULKM-UHFFFAOYSA-N 0 0 277.371 4.182 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cccc(F)c2F)c(C)c1 ZINC000054204960 328690172 /nfs/dbraw/zinc/69/01/72/328690172.db2.gz WCVKMQQVUDDOAN-LBPRGKRZSA-N 0 0 289.325 4.073 10 0 CIAERN CCCCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000173748609 329148130 /nfs/dbraw/zinc/14/81/30/329148130.db2.gz UYMSZKSOZODLJO-GOEBONIOSA-N 0 0 291.439 4.070 10 0 CIAERN C[C@@H](Nc1nnc(-c2ccccc2)s1)c1cccc(O)c1 ZINC000174719590 329161112 /nfs/dbraw/zinc/16/11/12/329161112.db2.gz SSJPNLGQGZOKHH-LLVKDONJSA-N 0 0 297.383 4.084 10 0 CIAERN C[C@@H](N[C@@H](C)c1cccs1)c1nnc(-c2ccccc2)o1 ZINC000176205434 329172482 /nfs/dbraw/zinc/17/24/82/329172482.db2.gz JDPNXLLZLXCYIM-NWDGAFQWSA-N 0 0 299.399 4.210 10 0 CIAERN Cc1ccc(F)cc1CN1CCCC[C@H]1c1nccs1 ZINC000180029728 329214519 /nfs/dbraw/zinc/21/45/19/329214519.db2.gz BWSUGEMSRPLMPE-HNNXBMFYSA-N 0 0 290.407 4.318 10 0 CIAERN CC[C@@H]([NH2+]C[C@H](C)OC)c1ccc(Cl)cc1Cl ZINC000223980737 329241679 /nfs/dbraw/zinc/24/16/79/329241679.db2.gz YCYURHISHPNKJE-TVQRCGJNSA-N 0 0 276.207 4.069 10 0 CIAERN Cc1csc([C@H](C)NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000183742527 329250101 /nfs/dbraw/zinc/25/01/01/329250101.db2.gz QTTFSVSZPPVOSD-DRZSPHRISA-N 0 0 294.464 4.091 10 0 CIAERN Cc1oc2ccccc2c1C(=O)N[C@@H](C)c1cccs1 ZINC000184937245 329265800 /nfs/dbraw/zinc/26/58/00/329265800.db2.gz QGJWYYSHSRITAB-JTQLQIEISA-N 0 0 285.368 4.294 10 0 CIAERN Cc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)co1 ZINC000187204040 329354855 /nfs/dbraw/zinc/35/48/55/329354855.db2.gz JJLZBQNMZNRCMQ-CYBMUJFWSA-N 0 0 279.339 4.232 10 0 CIAERN Cc1cnc([C@H](C)NCc2cc(Cl)ccc2Cl)o1 ZINC000230647827 329367849 /nfs/dbraw/zinc/36/78/49/329367849.db2.gz BNHFTDCWZNGSTR-VIFPVBQESA-N 0 0 285.174 4.141 10 0 CIAERN COc1cccc2c(N[C@H](C)c3cccc(O)c3)ccnc12 ZINC000189321711 329379867 /nfs/dbraw/zinc/37/98/67/329379867.db2.gz VSBYCESUHXYVGX-GFCCVEGCSA-N 0 0 294.354 4.122 10 0 CIAERN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000191544593 329417348 /nfs/dbraw/zinc/41/73/48/329417348.db2.gz ITSCYNNEFQDTFD-CZUORRHYSA-N 0 0 289.419 4.269 10 0 CIAERN O=C(CCC1CCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116046820 329544320 /nfs/dbraw/zinc/54/43/20/329544320.db2.gz MRCSKSJEAQXUIT-OAHLLOKOSA-N 0 0 275.392 4.304 10 0 CIAERN CCCC[C@@H](CC)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000117260526 329545782 /nfs/dbraw/zinc/54/57/82/329545782.db2.gz ZYBIEGFLWYKVGW-GDBMZVCRSA-N 0 0 291.439 4.070 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)o1 ZINC000049141764 329635523 /nfs/dbraw/zinc/63/55/23/329635523.db2.gz XGZSQUXTMBXVRX-QMMMGPOBSA-N 0 0 299.704 4.011 10 0 CIAERN Cc1cc(C)cc(CCC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000133813985 329655676 /nfs/dbraw/zinc/65/56/76/329655676.db2.gz RRDCWQITBQWTEC-KRWDZBQOSA-N 0 0 297.398 4.193 10 0 CIAERN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000134156280 329657504 /nfs/dbraw/zinc/65/75/04/329657504.db2.gz GJDCYQXFCRHGLW-CJNGLKHVSA-N 0 0 289.419 4.439 10 0 CIAERN CC(C)c1nn(C)cc1N[C@@H](C)c1csc(Cl)c1 ZINC000302195831 332870194 /nfs/dbraw/zinc/87/01/94/332870194.db2.gz CXAANUUDVHVDMI-VIFPVBQESA-N 0 0 283.828 4.432 10 0 CIAERN CC[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1nccs1 ZINC000248565915 329892010 /nfs/dbraw/zinc/89/20/10/329892010.db2.gz NITMWARMXNRSFA-AGIUHOORSA-N 0 0 294.464 4.173 10 0 CIAERN CC[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nccs1 ZINC000248565918 329892084 /nfs/dbraw/zinc/89/20/84/329892084.db2.gz NITMWARMXNRSFA-UPJWGTAASA-N 0 0 294.464 4.173 10 0 CIAERN C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000263415848 330054867 /nfs/dbraw/zinc/05/48/67/330054867.db2.gz NGCSYLFDRPQVKG-UGSOOPFHSA-N 0 0 295.382 4.113 10 0 CIAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2CC=CCC2)c2ccccc21 ZINC000162747395 330111406 /nfs/dbraw/zinc/11/14/06/330111406.db2.gz OKWWGSFYICJRGT-KEYYUXOJSA-N 0 0 269.388 4.098 10 0 CIAERN C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)c2ccccc21 ZINC000162747640 330111427 /nfs/dbraw/zinc/11/14/27/330111427.db2.gz 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/nfs/dbraw/zinc/15/24/66/333152466.db2.gz WBBUZPCFWFBYGR-BPUTZDHNSA-N 0 0 289.419 4.468 10 0 CIAERN CCC[C@H](C)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187670097 333173724 /nfs/dbraw/zinc/17/37/24/333173724.db2.gz KVUFRAMAXHAUAE-STQMWFEESA-N 0 0 296.480 4.003 10 0 CIAERN COCCc1ccccc1NC[C@H](C)c1ccc(OC)cc1 ZINC000188958660 333176698 /nfs/dbraw/zinc/17/66/98/333176698.db2.gz KYHJWFVTLBHAQT-HNNXBMFYSA-N 0 0 299.414 4.100 10 0 CIAERN CCC(CC)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000192975472 333240964 /nfs/dbraw/zinc/24/09/64/333240964.db2.gz DHNGXRXILQTXAU-NSHDSACASA-N 0 0 267.800 4.296 10 0 CIAERN C[C@H](NC(=O)[C@H]1CCCCC1(C)C)c1cccs1 ZINC000194163051 333266452 /nfs/dbraw/zinc/26/64/52/333266452.db2.gz OVCGDFLQXUKFFF-NWDGAFQWSA-N 0 0 265.422 4.142 10 0 CIAERN CCS[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000226804373 333269972 /nfs/dbraw/zinc/26/99/72/333269972.db2.gz CLPUKKQFQKNSSJ-WDEREUQCSA-N 0 0 290.354 4.187 10 0 CIAERN Cc1c(Br)cccc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000230057536 333312731 /nfs/dbraw/zinc/31/27/31/333312731.db2.gz WYJMIRDMULHXQV-MWLCHTKSSA-N 0 0 296.208 4.132 10 0 CIAERN CCS[C@H]1CC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000230922474 333322693 /nfs/dbraw/zinc/32/26/93/333322693.db2.gz YFPWGQRICIHSLA-KBPBESRZSA-N 0 0 272.417 4.321 10 0 CIAERN CC[C@H](Nc1cccc(-n2cccn2)c1)c1cccs1 ZINC000037127357 333490568 /nfs/dbraw/zinc/49/05/68/333490568.db2.gz GSQQYCRDXOWRBW-HNNXBMFYSA-N 0 0 283.400 4.497 10 0 CIAERN C[C@@H](Nc1cccc(-n2cccn2)c1)c1ccc(F)cc1 ZINC000037127517 333490570 /nfs/dbraw/zinc/49/05/70/333490570.db2.gz CPOFVAVLYBDOKA-CYBMUJFWSA-N 0 0 281.334 4.185 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)o1 ZINC000126120647 333590756 /nfs/dbraw/zinc/59/07/56/333590756.db2.gz BKUUJZHWGCYAQH-RDJZCZTQSA-N 0 0 297.398 4.445 10 0 CIAERN CSCCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000128286500 333649337 /nfs/dbraw/zinc/64/93/37/333649337.db2.gz WTDNVPCFAFJURQ-ZDUSSCGKSA-N 0 0 287.428 4.160 10 0 CIAERN COc1cc([C@H](C)Nc2ccccc2C)ccc1F ZINC000128538416 333684191 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4.050 10 0 CIAERN Cc1ccc(N2c3ccccc3CC[C@@H]2C)cc1N ZINC000061700753 524989772 /nfs/dbraw/zinc/98/97/72/524989772.db2.gz FPJJEGCWCAXGNM-ZDUSSCGKSA-N 0 0 252.361 4.050 10 0 CIAERN Cc1cc(F)ccc1Nc1nc(Cl)c2c(n1)CCCC2 ZINC000057343466 524997831 /nfs/dbraw/zinc/99/78/31/524997831.db2.gz PVFMACIOGLYPPN-UHFFFAOYSA-N 0 0 291.757 4.200 10 0 CIAERN Cc1ccccc1CSc1ccc2scnc2c1N ZINC000054963760 525185210 /nfs/dbraw/zinc/18/52/10/525185210.db2.gz PODUJIMEIIJZOA-UHFFFAOYSA-N 0 0 286.425 4.479 10 0 CIAERN Cc1ccc(NCCSc2ccccc2F)cc1 ZINC000049135889 525278289 /nfs/dbraw/zinc/27/82/89/525278289.db2.gz RORGGXSJGNUPDT-UHFFFAOYSA-N 0 0 261.365 4.338 10 0 CIAERN Cc1cc(N[C@H](C)c2ccccc2Cl)ccc1N ZINC000049506572 525300070 /nfs/dbraw/zinc/30/00/70/525300070.db2.gz SKGPQGJHHDMRFQ-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1cc(N[C@H](C)c2ccc(Cl)cc2)ccc1N ZINC000049515565 525301064 /nfs/dbraw/zinc/30/10/64/525301064.db2.gz BHXYQNPMPAEJRO-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1ccc(N[C@@H](C)c2ccc(Br)cc2)nc1 ZINC000049526220 525310029 /nfs/dbraw/zinc/31/00/29/525310029.db2.gz YRWTYQUXKQPFGU-NSHDSACASA-N 0 0 291.192 4.326 10 0 CIAERN Cc1ccc(N[C@@H](c2cccs2)C(C)C)c(N)c1 ZINC000049555097 525313287 /nfs/dbraw/zinc/31/32/87/525313287.db2.gz SXMRBHVUZRAVTR-OAHLLOKOSA-N 0 0 260.406 4.448 10 0 CIAERN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280628 525328032 /nfs/dbraw/zinc/32/80/32/525328032.db2.gz YBZBWARKNGTKQN-RYUDHWBXSA-N 0 0 277.339 4.148 10 0 CIAERN Cc1ccccc1[C@@H](C)Nc1ccc(Cl)cc1N ZINC000049525426 525361807 /nfs/dbraw/zinc/36/18/07/525361807.db2.gz VGROFQORNKXILV-LLVKDONJSA-N 0 0 260.768 4.404 10 0 CIAERN Cc1[nH]c2c(Cl)ccc(Cl)c2c(=O)c1C(C)C ZINC000061688075 525415639 /nfs/dbraw/zinc/41/56/39/525415639.db2.gz PMLODCNABLIWJG-UHFFFAOYSA-N 0 0 270.159 4.267 10 0 CIAERN Cc1ccccc1[C@H](C)Nc1nc2ccccc2[nH]1 ZINC000042337810 525420375 /nfs/dbraw/zinc/42/03/75/525420375.db2.gz RAKSIUBVAGZXLC-LBPRGKRZSA-N 0 0 251.333 4.044 10 0 CIAERN Cc1ccccc1[C@H](O)Cc1c(F)cccc1Cl ZINC000049346872 525433699 /nfs/dbraw/zinc/43/36/99/525433699.db2.gz CTUHEDJOHOXAJD-OAHLLOKOSA-N 0 0 264.727 4.064 10 0 CIAERN Cc1ccc(Oc2ccc(Cl)cc2C(N)=S)cc1 ZINC000052859237 525473098 /nfs/dbraw/zinc/47/30/98/525473098.db2.gz OQZSKXLHRKPGNU-UHFFFAOYSA-N 0 0 277.776 4.075 10 0 CIAERN Cc1cc([C@@H](O)c2ccc(Cl)s2)c(C)s1 ZINC000051172912 525483425 /nfs/dbraw/zinc/48/34/25/525483425.db2.gz PUZFYYNTKJTEDJ-LLVKDONJSA-N 0 0 258.795 4.162 10 0 CIAERN C[C@H](NCc1nccs1)c1ccc(C(C)(C)C)cc1 ZINC000041011867 525490986 /nfs/dbraw/zinc/49/09/86/525490986.db2.gz OBADBKCHKARZNC-LBPRGKRZSA-N 0 0 274.433 4.291 10 0 CIAERN C[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000138977890 525529032 /nfs/dbraw/zinc/52/90/32/525529032.db2.gz IUDLKRYDDWLLHX-STQMWFEESA-N 0 0 271.408 4.119 10 0 CIAERN Cc1cccnc1N[C@@H](C)c1ccc(Br)cc1 ZINC000051041119 525543317 /nfs/dbraw/zinc/54/33/17/525543317.db2.gz JBCOYDMKSZEOLL-NSHDSACASA-N 0 0 291.192 4.326 10 0 CIAERN Cc1cccnc1Oc1cc2ccccc2cc1O ZINC000051041345 525543502 /nfs/dbraw/zinc/54/35/02/525543502.db2.gz MISHLCVRVSHAFH-UHFFFAOYSA-N 0 0 251.285 4.041 10 0 CIAERN Cc1cccnc1N[C@H](C)c1ccc(Cl)s1 ZINC000051041084 525544571 /nfs/dbraw/zinc/54/45/71/525544571.db2.gz OSSNVWAMEXCAAG-SECBINFHSA-N 0 0 252.770 4.278 10 0 CIAERN C[C@H](Nc1c(N)cccc1Cl)c1ccccc1F ZINC000049528884 525641257 /nfs/dbraw/zinc/64/12/57/525641257.db2.gz ONFSONXVHGBJET-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@H](Nc1ccc(Cl)cc1C(N)=S)c1ccccc1 ZINC000052857323 525651893 /nfs/dbraw/zinc/65/18/93/525651893.db2.gz XWNLEMJEHOWYIA-JTQLQIEISA-N 0 0 290.819 4.147 10 0 CIAERN C[C@H](Nc1ccc(F)cn1)c1ccc(Cl)cc1 ZINC000049526154 525652822 /nfs/dbraw/zinc/65/28/22/525652822.db2.gz XGTXWLYXQKQRJT-VIFPVBQESA-N 0 0 250.704 4.047 10 0 CIAERN C[C@H](Nc1ccc(N)c2cccnc12)c1ccsc1 ZINC000061361223 525653115 /nfs/dbraw/zinc/65/31/15/525653115.db2.gz XTGCTKNXXSXCOB-JTQLQIEISA-N 0 0 269.373 4.052 10 0 CIAERN C[C@H](Nc1ccc(F)cc1N)c1ccccc1Cl ZINC000049506518 525654073 /nfs/dbraw/zinc/65/40/73/525654073.db2.gz ORTUZUBEALTHCX-VIFPVBQESA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1nccs1 ZINC000070984329 525660070 /nfs/dbraw/zinc/66/00/70/525660070.db2.gz NQKKPTLLFOOVJK-RKDXNWHRSA-N 0 0 284.787 4.347 10 0 CIAERN C[C@H](Nc1cccc(F)n1)c1ccc(Cl)s1 ZINC000042417118 525667924 /nfs/dbraw/zinc/66/79/24/525667924.db2.gz HWJHFLJSGOTEKQ-ZETCQYMHSA-N 0 0 256.733 4.109 10 0 CIAERN C[C@H](Nc1cccc(N)c1)c1cccc(Br)c1 ZINC000049564061 525668199 /nfs/dbraw/zinc/66/81/99/525668199.db2.gz HAGXIPFALHHBIO-JTQLQIEISA-N 0 0 291.192 4.204 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)CCCSC(C)(C)C)o1 ZINC000130604520 525693183 /nfs/dbraw/zinc/69/31/83/525693183.db2.gz SEUTVJDWWOWWKU-GFCCVEGCSA-N 0 0 283.437 4.077 10 0 CIAERN C[C@@H](Nc1c(N)cccc1Cl)c1cccc(F)c1 ZINC000049529032 525694672 /nfs/dbraw/zinc/69/46/72/525694672.db2.gz SFFWNCYMCUWJOC-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1cc(N)cc(F)c1)c1ccccc1Cl ZINC000049506636 525699956 /nfs/dbraw/zinc/69/99/56/525699956.db2.gz RVYARZRJBKEZSQ-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN C[C@@H](Nc1ccc(Cl)cc1C(N)=S)c1ccccc1 ZINC000052857325 525705422 /nfs/dbraw/zinc/70/54/22/525705422.db2.gz XWNLEMJEHOWYIA-SNVBAGLBSA-N 0 0 290.819 4.147 10 0 CIAERN C[C@@H](Nc1ccc(N)c2ncccc12)c1ccsc1 ZINC000061361324 525706303 /nfs/dbraw/zinc/70/63/03/525706303.db2.gz KKWCTDJMEKAIHL-SNVBAGLBSA-N 0 0 269.373 4.052 10 0 CIAERN C[C@@H](Nc1ccc(F)cc1N)c1ccc(Cl)cc1 ZINC000049515438 525707223 /nfs/dbraw/zinc/70/72/23/525707223.db2.gz ISLUWYWMHLWBLI-SECBINFHSA-N 0 0 264.731 4.234 10 0 CIAERN Cc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)o1 ZINC000069721485 525717700 /nfs/dbraw/zinc/71/77/00/525717700.db2.gz VZRLLXAZACWVKY-SNVBAGLBSA-N 0 0 297.276 4.098 10 0 CIAERN C[C@@H](Nc1cccc(Cl)c1C(N)=S)c1ccccc1 ZINC000052903788 525718666 /nfs/dbraw/zinc/71/86/66/525718666.db2.gz NDTPFEASEHDYDF-SNVBAGLBSA-N 0 0 290.819 4.147 10 0 CIAERN Cc1ccc([C@@H](C)n2c(=S)[nH]nc2C(C)C)s1 ZINC000049184575 525753887 /nfs/dbraw/zinc/75/38/87/525753887.db2.gz SWAORPDJLCBFFJ-SECBINFHSA-N 0 0 267.423 4.043 10 0 CIAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCC(C)C)o1 ZINC000127445561 525797394 /nfs/dbraw/zinc/79/73/94/525797394.db2.gz GSLSSVPIUMLEEY-AWEZNQCLSA-N 0 0 263.381 4.078 10 0 CIAERN C[C@H](O)c1ccccc1NCc1cccc(Cl)c1 ZINC000049542471 525861584 /nfs/dbraw/zinc/86/15/84/525861584.db2.gz GIJUBUBZRUQLKW-NSHDSACASA-N 0 0 261.752 4.005 10 0 CIAERN C[C@H](O)c1ccccc1NCc1ccc(Cl)cc1 ZINC000049541933 525862204 /nfs/dbraw/zinc/86/22/04/525862204.db2.gz DMIFLVKNSUCQJF-NSHDSACASA-N 0 0 261.752 4.005 10 0 CIAERN C[C@H](O)c1ccccc1NCc1ccc(Cl)s1 ZINC000049542636 525862899 /nfs/dbraw/zinc/86/28/99/525862899.db2.gz ISFAUBXGNHTYKW-VIFPVBQESA-N 0 0 267.781 4.067 10 0 CIAERN C[C@@H](O)c1ccccc1N[C@H]1CCCc2sccc21 ZINC000061329007 525874080 /nfs/dbraw/zinc/87/40/80/525874080.db2.gz JTIHTADWZZAGKD-ABAIWWIYSA-N 0 0 273.401 4.291 10 0 CIAERN C[C@@H](OC(=O)CC(F)(F)F)c1cccc(Cl)c1F ZINC000187351479 525885281 /nfs/dbraw/zinc/88/52/81/525885281.db2.gz MANCAYHQODMBCC-ZCFIWIBFSA-N 0 0 284.636 4.036 10 0 CIAERN Cc1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)o1 ZINC000069721488 525911948 /nfs/dbraw/zinc/91/19/48/525911948.db2.gz VZRLLXAZACWVKY-JTQLQIEISA-N 0 0 297.276 4.098 10 0 CIAERN Cc1ccc([C@H](C)N[C@H](C)c2nccs2)cc1C ZINC000080268064 525943853 /nfs/dbraw/zinc/94/38/53/525943853.db2.gz DAECPRDLHBZTCF-QWHCGFSZSA-N 0 0 260.406 4.172 10 0 CIAERN Cc1ccc([C@H](O)c2cc3ccccc3o2)c(C)c1 ZINC000062797245 525978394 /nfs/dbraw/zinc/97/83/94/525978394.db2.gz LGFHWPIITCVRPK-KRWDZBQOSA-N 0 0 252.313 4.131 10 0 CIAERN Cc1ccc([C@H]2CCCCN2C(=O)CC(C)(C)C)o1 ZINC000127749800 525991344 /nfs/dbraw/zinc/99/13/44/525991344.db2.gz SBVCYSXJXMTCFR-CYBMUJFWSA-N 0 0 263.381 4.078 10 0 CIAERN C[C@@H](c1ccc(Cl)s1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601121 526047140 /nfs/dbraw/zinc/04/71/40/526047140.db2.gz GMCQDDOWJILDTL-GARJFASQSA-N 0 0 283.824 4.049 10 0 CIAERN Cc1ccc(C(=O)Cc2cc(F)cc(F)c2)c(C)c1 ZINC000055235714 526052122 /nfs/dbraw/zinc/05/21/22/526052122.db2.gz GKCPCVHOONMFQT-UHFFFAOYSA-N 0 0 260.283 4.007 10 0 CIAERN Cc1cc(Br)c2nc(Cl)c(Cl)nc2c1 ZINC000062152712 526152262 /nfs/dbraw/zinc/15/22/62/526152262.db2.gz DNISEQDKFSVDDN-UHFFFAOYSA-N 0 0 291.963 4.008 10 0 CIAERN C[C@H]1CC(C)(C)C[C@@](O)(c2ccc(F)c(F)c2F)C1 ZINC000061837769 526223239 /nfs/dbraw/zinc/22/32/39/526223239.db2.gz SSLZZIOLFLURPH-BJOHPYRUSA-N 0 0 272.310 4.138 10 0 CIAERN Cc1ccc2c(n1)nc(C)cc2Nc1ccc(F)cc1 ZINC000047162369 526224181 /nfs/dbraw/zinc/22/41/81/526224181.db2.gz RLGKTMUAZAANJZ-UHFFFAOYSA-N 0 0 267.307 4.129 10 0 CIAERN COc1cccc(Oc2ccc(C(C)=O)cc2Cl)c1 ZINC000059171958 526241943 /nfs/dbraw/zinc/24/19/43/526241943.db2.gz KUEWSFADOGJPDI-UHFFFAOYSA-N 0 0 276.719 4.344 10 0 CIAERN C[C@H]1CCCC[C@@H]1OCc1nc2sccc2c(Cl)n1 ZINC000050840830 526259376 /nfs/dbraw/zinc/25/93/76/526259376.db2.gz OWWKJUYBQDQHSN-ONGXEEELSA-N 0 0 296.823 4.440 10 0 CIAERN O[C@H](Cc1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000062607631 526295964 /nfs/dbraw/zinc/29/59/64/526295964.db2.gz CNFMUYAHKFVLAQ-CQSZACIVSA-N 0 0 286.680 4.033 10 0 CIAERN O[C@H](c1ccc(Cl)cc1F)C1=CCCCCC1 ZINC000050329585 526299710 /nfs/dbraw/zinc/29/97/10/526299710.db2.gz CZLFHCWAKYODFX-AWEZNQCLSA-N 0 0 254.732 4.403 10 0 CIAERN O[C@H]1CCCCC[C@H]1c1cccc(Cl)c1Cl ZINC000055230229 526302840 /nfs/dbraw/zinc/30/28/40/526302840.db2.gz OBUFERONMLPQTH-CABZTGNLSA-N 0 0 259.176 4.402 10 0 CIAERN Cc1csc(CN2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000130983071 526342354 /nfs/dbraw/zinc/34/23/54/526342354.db2.gz RZWKIECNDBCLBE-CYBMUJFWSA-N 0 0 276.405 4.080 10 0 CIAERN Fc1ccc([C@@H]2CNc3cccc(Cl)c3O2)cc1 ZINC000062540064 526364395 /nfs/dbraw/zinc/36/43/95/526364395.db2.gz LIFLLJXUXREEFO-ZDUSSCGKSA-N 0 0 263.699 4.025 10 0 CIAERN Fc1ccc([C@H]2CNc3cc(C(F)(F)F)ccc3O2)cc1 ZINC000062561426 526367631 /nfs/dbraw/zinc/36/76/31/526367631.db2.gz SPJCUJNXCQRCDA-CQSZACIVSA-N 0 0 297.251 4.390 10 0 CIAERN Cc1csc(Sc2nc(Cl)nc3ccccc32)n1 ZINC000052811965 526399018 /nfs/dbraw/zinc/39/90/18/526399018.db2.gz DBSDWJKKGDSBJE-UHFFFAOYSA-N 0 0 293.804 4.199 10 0 CIAERN Cc1nc(-c2ccc(N[C@H]3CCCSC3)cc2)cs1 ZINC000061572109 526578509 /nfs/dbraw/zinc/57/85/09/526578509.db2.gz UMWZACCYMWBCAK-AWEZNQCLSA-N 0 0 290.457 4.426 10 0 CIAERN Cc1nc(-c2cccc(C)c2)sc1Br ZINC000057555998 526582947 /nfs/dbraw/zinc/58/29/47/526582947.db2.gz CRRVPQYDXUIEDE-UHFFFAOYSA-N 0 0 268.179 4.189 10 0 CIAERN Cc1nc(C)c([C@@H](C)Nc2ccc(N)cc2Cl)s1 ZINC000049533787 526747820 /nfs/dbraw/zinc/74/78/20/526747820.db2.gz VZLHSFGXKHWTDR-MRVPVSSYSA-N 0 0 281.812 4.169 10 0 CIAERN Cc1nc(C)c([C@H](C)Nc2ccc(Cl)cc2N)s1 ZINC000049533786 526755849 /nfs/dbraw/zinc/75/58/49/526755849.db2.gz XPMQEOSYNNLYCI-QMMMGPOBSA-N 0 0 281.812 4.169 10 0 CIAERN Cc1scc(N)c1-c1ccc(Br)cc1 ZINC000049859691 526907340 /nfs/dbraw/zinc/90/73/40/526907340.db2.gz KHVMHFYEGUBHJW-UHFFFAOYSA-N 0 0 268.179 4.068 10 0 CIAERN Clc1nc(COC2CCCCC2)nc2sccc21 ZINC000050840686 527003138 /nfs/dbraw/zinc/00/31/38/527003138.db2.gz QYHCZIVEJAHYGR-UHFFFAOYSA-N 0 0 282.796 4.194 10 0 CIAERN Cc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1Cl ZINC000052842727 527122810 /nfs/dbraw/zinc/12/28/10/527122810.db2.gz HNAOTHHXWRXAQI-UHFFFAOYSA-N 0 0 292.169 4.223 10 0 CIAERN Cc1nc[nH]c1CNc1c(Cl)cc(Cl)cc1Cl ZINC000054794455 527213388 /nfs/dbraw/zinc/21/33/88/527213388.db2.gz DBTQCHHONDPJID-UHFFFAOYSA-N 0 0 290.581 4.290 10 0 CIAERN Nc1ccc(-c2ccc(C3CCCCC3)cc2)cn1 ZINC000052886417 527463906 /nfs/dbraw/zinc/46/39/06/527463906.db2.gz CQJJKEQEILNLIK-UHFFFAOYSA-N 0 0 252.361 4.379 10 0 CIAERN Nc1ccc(Cl)c(CSc2ccccc2Cl)n1 ZINC000061640617 527485743 /nfs/dbraw/zinc/48/57/43/527485743.db2.gz DDFQNVGTQAQRQE-UHFFFAOYSA-N 0 0 285.199 4.263 10 0 CIAERN OC(c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000051172914 527505908 /nfs/dbraw/zinc/50/59/08/527505908.db2.gz ZKBLHHVKFGJJHM-UHFFFAOYSA-N 0 0 265.186 4.198 10 0 CIAERN Nc1ccc2nc(Nc3ccc(Cl)cc3)sc2c1 ZINC000063103358 527510445 /nfs/dbraw/zinc/51/04/45/527510445.db2.gz MHLJDYGVGOFORF-UHFFFAOYSA-N 0 0 275.764 4.276 10 0 CIAERN Nc1nc(-c2c[nH]c3cc(Cl)cc(Cl)c32)cs1 ZINC000062424656 527539816 /nfs/dbraw/zinc/53/98/16/527539816.db2.gz MUADPFSNAFCBJR-UHFFFAOYSA-N 0 0 284.171 4.180 10 0 CIAERN Nc1onc(-c2cccs2)c1-c1ccc(F)cc1Cl ZINC000062609860 527581202 /nfs/dbraw/zinc/58/12/02/527581202.db2.gz IWBDOQGBJFFIJI-UHFFFAOYSA-N 0 0 294.738 4.445 10 0 CIAERN O[C@@H](CCCc1ccccc1)c1cc(F)cc(F)c1 ZINC000053786387 527645400 /nfs/dbraw/zinc/64/54/00/527645400.db2.gz AYBGCPOOJWBECX-INIZCTEOSA-N 0 0 262.299 4.021 10 0 CIAERN O[C@@H](Cc1ccc(Cl)s1)c1ccc(Cl)cc1F ZINC000062785604 527664384 /nfs/dbraw/zinc/66/43/84/527664384.db2.gz MABQRBDWYQZCAY-NSHDSACASA-N 0 0 291.174 4.470 10 0 CIAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(C(C)C)c1 ZINC000087407030 527700533 /nfs/dbraw/zinc/70/05/33/527700533.db2.gz MVTQTNMBRISPOP-LBPRGKRZSA-N 0 0 257.381 4.025 10 0 CIAERN CC1(C)CCC[C@H]1Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000329422434 528995498 /nfs/dbraw/zinc/99/54/98/528995498.db2.gz HWNYIYKYCGEGDY-GFCCVEGCSA-N 0 0 294.782 4.311 10 0 CIAERN CC[C@@H](C)N(C(=O)/C=C\c1ccc(C)o1)[C@@H](C)CC ZINC000096507762 529337676 /nfs/dbraw/zinc/33/76/76/529337676.db2.gz QFKKRZWFVKMYBF-HNDWPLSKSA-N 0 0 263.381 4.027 10 0 CIAERN CCCC[S@](=O)[C@H]1[C@H]2C[C@@H]3C[C@](C)(C2)C[C@@]1(C)C3 ZINC000198319908 535077232 /nfs/dbraw/zinc/07/72/32/535077232.db2.gz DYHOTRLOOKVWKX-LNUIKTCUSA-N 0 0 268.466 4.140 10 0 CIAERN CC1(C)CCC(c2ccc(Cl)cc2)=C(CO)C1 ZINC000065739329 566879931 /nfs/dbraw/zinc/87/99/31/566879931.db2.gz ULAIGCLXZFNTPI-UHFFFAOYSA-N 0 0 250.769 4.296 10 0 in-vitro CIAERN Cc1cccn2cc(CSCC[Si](C)(C)C)nc12 ZINC000725245825 567908187 /nfs/dbraw/zinc/90/81/87/567908187.db2.gz MFCKIMIWXYMQRI-UHFFFAOYSA-N 0 0 278.497 4.214 10 0 CIAERN FC1(F)C[C@@H](c2ccc(Br)cc2)C1(F)F ZINC000066308913 570245384 /nfs/dbraw/zinc/24/53/84/570245384.db2.gz KDNLQJIMDWXOHJ-QMMMGPOBSA-N 0 0 283.062 4.207 10 0 CIAERN CC(=O)C[C@H](C)Sc1cc(Cl)cc(Cl)c1 ZINC000393729007 570277137 /nfs/dbraw/zinc/27/71/37/570277137.db2.gz LPRPRAYZSYUAKD-QMMMGPOBSA-N 0 0 263.189 4.453 10 0 CIAERN Cc1cccc(-c2ccc(F)c(N)c2F)c1Br ZINC000675058991 570365437 /nfs/dbraw/zinc/36/54/37/570365437.db2.gz GCDBDJNKNPKIOG-UHFFFAOYSA-N 0 0 298.130 4.285 10 0 CIAERN CC[C@@H](Sc1ccc(Cl)cc1Cl)C(C)=O ZINC000616571473 570408971 /nfs/dbraw/zinc/40/89/71/570408971.db2.gz HAABTDFYRMJMJM-SNVBAGLBSA-N 0 0 263.189 4.453 10 0 CIAERN OC[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000001688992 560183844 /nfs/dbraw/zinc/18/38/44/560183844.db2.gz QDWRDRBFKBWHQR-ZDUSSCGKSA-N 0 0 267.155 4.118 10 0 in-vitro CIAERN CC(C)[C@@H](C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000070236730 566970143 /nfs/dbraw/zinc/97/01/43/566970143.db2.gz VGWSBINOHRHNIG-OAHLLOKOSA-N 0 0 279.811 4.092 10 0 CIAERN Cc1c(N)cc(-c2cccc(F)c2)cc1C(F)(F)F ZINC000675078984 567025669 /nfs/dbraw/zinc/02/56/69/567025669.db2.gz CZKIQTZJYQCZIR-UHFFFAOYSA-N 0 0 269.241 4.402 10 0 CIAERN CCCNc1cc(Br)cc(C(F)(F)F)c1 ZINC000083851930 567026671 /nfs/dbraw/zinc/02/66/71/567026671.db2.gz RLHWCDHGLPLZFN-UHFFFAOYSA-N 0 0 282.103 4.290 10 0 CIAERN CCc1ccc(-c2nc3cc(NC)cc(C)c3o2)cc1 ZINC000226270170 567038907 /nfs/dbraw/zinc/03/89/07/567038907.db2.gz KQSVDOAKFBKTOM-UHFFFAOYSA-N 0 0 266.344 4.407 10 0 CIAERN CNc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000226270266 567039390 /nfs/dbraw/zinc/03/93/90/567039390.db2.gz BRCUZDLMEOFHIA-UHFFFAOYSA-N 0 0 258.708 4.190 10 0 CIAERN CCNc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000226282357 567040380 /nfs/dbraw/zinc/04/03/80/567040380.db2.gz WDJNAQMDUXEWBY-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN CCNc1cc2nc(-c3ccccc3F)oc2c(C)c1 ZINC000226283106 567040604 /nfs/dbraw/zinc/04/06/04/567040604.db2.gz WLSFUHPVAWGOLT-UHFFFAOYSA-N 0 0 270.307 4.374 10 0 CIAERN CCc1ccc2c(Br)cnc(Cl)c2c1 ZINC000096856501 567040704 /nfs/dbraw/zinc/04/07/04/567040704.db2.gz BICHYWPHZMHJHW-UHFFFAOYSA-N 0 0 270.557 4.213 10 0 CIAERN CCc1ccc2oc(-c3cccc(NC)c3)nc2c1 ZINC000226281014 567041076 /nfs/dbraw/zinc/04/10/76/567041076.db2.gz PZTXHBPRNFGWIG-UHFFFAOYSA-N 0 0 252.317 4.099 10 0 CIAERN CCNc1cc2nc(-c3ccccc3)oc2c(C)c1 ZINC000226282325 567041109 /nfs/dbraw/zinc/04/11/09/567041109.db2.gz GTJQHKXJVKEEAF-UHFFFAOYSA-N 0 0 252.317 4.235 10 0 CIAERN CC[C@@H](Sc1cc(Cl)ccc1Cl)C(C)=O ZINC000616572739 567212669 /nfs/dbraw/zinc/21/26/69/567212669.db2.gz NYJVPRBRHBZLOH-SNVBAGLBSA-N 0 0 263.189 4.453 10 0 CIAERN COc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000062536661 567219806 /nfs/dbraw/zinc/21/98/06/567219806.db2.gz MMDKSIITYDEVGE-UHFFFAOYSA-N 0 0 253.301 4.120 10 0 CIAERN COc1cccc([C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)c1O ZINC000002130701 567844931 /nfs/dbraw/zinc/84/49/31/567844931.db2.gz YPUMYHHWYPOEPH-ZUCKAHLUSA-N 0 0 260.377 4.331 10 0 CIAERN COc1cc2c(cc1C)[C@@H]1CC[C@@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 ZINC000004369915 567856991 /nfs/dbraw/zinc/85/69/91/567856991.db2.gz DIVPKWHYWKSKRU-MXHNKVEKSA-N 0 0 298.426 4.429 10 0 CIAERN COc1ccc(C)c2c1[C@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 ZINC000013467402 567866186 /nfs/dbraw/zinc/86/61/86/567866186.db2.gz ROENYRHGHDRWLQ-ASKKUZCQSA-N 0 0 298.426 4.429 10 0 CIAERN C[C@H](Nc1ccccc1Br)c1ccco1 ZINC000019922673 567880137 /nfs/dbraw/zinc/88/01/37/567880137.db2.gz RSCUBWVJFUQFLF-VIFPVBQESA-N 0 0 266.138 4.215 10 0 CIAERN CNc1ncc(C2CCCCC2)cc1C(F)(F)F ZINC000584881471 567882788 /nfs/dbraw/zinc/88/27/88/567882788.db2.gz VWWMIYHWIUZDNH-UHFFFAOYSA-N 0 0 258.287 4.190 10 0 CIAERN CC1(C)CCC(C)(C)c2cc(Br)c(N)cc21 ZINC000034245081 567887052 /nfs/dbraw/zinc/88/70/52/567887052.db2.gz JOVFUMDICFXFBG-UHFFFAOYSA-N 0 0 282.225 4.380 10 0 CIAERN FC(F)(F)CNc1cccc(Cl)c1Br ZINC000236123131 567892731 /nfs/dbraw/zinc/89/27/31/567892731.db2.gz BCMIWIYRDDWCIN-UHFFFAOYSA-N 0 0 288.494 4.077 10 0 CIAERN Cc1cc2sc(-c3cccc(N)c3C)nc2c(C)c1 ZINC000073635418 567893151 /nfs/dbraw/zinc/89/31/51/567893151.db2.gz JSTNHNKYFPBSHM-UHFFFAOYSA-N 0 0 268.385 4.471 10 0 CIAERN Fc1ccc(-c2nc(Cl)cc(Cl)n2)cc1Cl ZINC000059331037 567896390 /nfs/dbraw/zinc/89/63/90/567896390.db2.gz UKAKPHJHFFAQBG-UHFFFAOYSA-N 0 0 277.513 4.243 10 0 CIAERN Cc1cc2nc(C(C)(C)C)nn2c(Cl)c1C(C)C ZINC000725246493 567908428 /nfs/dbraw/zinc/90/84/28/567908428.db2.gz NPBMYYULVTUXKR-UHFFFAOYSA-N 0 0 265.788 4.112 10 0 CIAERN Cc1c2c(Cl)nsc2ccc1Br ZINC000725254203 567912817 /nfs/dbraw/zinc/91/28/17/567912817.db2.gz SYSUQFSURRPQNG-UHFFFAOYSA-N 0 0 262.559 4.021 10 0 CIAERN CC(C)(C)OC(=O)N1CC2(CC2)Oc2cc(Cl)ccc21 ZINC000725258889 567917053 /nfs/dbraw/zinc/91/70/53/567917053.db2.gz AMGGBNQTXYHLHF-UHFFFAOYSA-N 0 0 295.766 4.007 10 0 CIAERN FC1(F)C[C@@H](c2cccc(Br)c2)C1(F)F ZINC000725262403 567922054 /nfs/dbraw/zinc/92/20/54/567922054.db2.gz DXTKXUXYOPQZOH-QMMMGPOBSA-N 0 0 283.062 4.207 10 0 CIAERN CCC[C@H]1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000725265611 567923421 /nfs/dbraw/zinc/92/34/21/567923421.db2.gz NEOZKIIGKKZTRP-NSHDSACASA-N 0 0 258.340 4.121 10 0 CIAERN CC(C)n1cc(C(F)F)c(-c2ccc(F)cc2)n1 ZINC000725269748 567924372 /nfs/dbraw/zinc/92/43/72/567924372.db2.gz CPFSRDHXACCFOF-UHFFFAOYSA-N 0 0 254.255 4.208 10 0 CIAERN CCn1cc(C(F)F)c(-c2ccc(F)c(Cl)c2)n1 ZINC000725270645 567924829 /nfs/dbraw/zinc/92/48/29/567924829.db2.gz QLIIRPIXNYDXBD-UHFFFAOYSA-N 0 0 274.673 4.300 10 0 CIAERN Cc1nn(C(C)C)cc1NCc1ccc(F)cc1Cl ZINC000725242422 570254708 /nfs/dbraw/zinc/25/47/08/570254708.db2.gz CDQKCTCVOSICOX-UHFFFAOYSA-N 0 0 281.762 4.177 10 0 CIAERN CC(C)S[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000037687580 570295521 /nfs/dbraw/zinc/29/55/21/570295521.db2.gz UTDSTEXHXRMGQI-SECBINFHSA-N 0 0 287.222 4.162 10 0 CIAERN Cc1cc(C)c2cc(Br)c(Cl)cc2n1 ZINC000669371992 570350618 /nfs/dbraw/zinc/35/06/18/570350618.db2.gz GDQRPQHDJGBIIJ-UHFFFAOYSA-N 0 0 270.557 4.268 10 0 CIAERN Cc1ccc(-c2ccc(F)c(N)c2F)cc1Cl ZINC000675056529 570364451 /nfs/dbraw/zinc/36/44/51/570364451.db2.gz MGGWZFNOMLCGSX-UHFFFAOYSA-N 0 0 253.679 4.176 10 0 CIAERN CC(C)c1nn(C)cc1-c1cc(Br)ccc1F ZINC000675070792 570366660 /nfs/dbraw/zinc/36/66/60/570366660.db2.gz SQPCGJWWEXWXTH-UHFFFAOYSA-N 0 0 297.171 4.112 10 0 CIAERN Cc1cc(-c2cccc(C(F)(F)F)n2)c(C)cc1C=O ZINC000675073256 570366946 /nfs/dbraw/zinc/36/69/46/570366946.db2.gz VLFMNFAOCYKLFU-UHFFFAOYSA-N 0 0 279.261 4.197 10 0 CIAERN Cc1c(N)cc(-c2cnc(Cl)s2)cc1C(F)(F)F ZINC000675081017 570368883 /nfs/dbraw/zinc/36/88/83/570368883.db2.gz ZPYYSOGIOJWDOL-UHFFFAOYSA-N 0 0 292.713 4.373 10 0 CIAERN