smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(C)o2)cc1 ZINC000182563616 1032110390 /nfs/dbraw/zinc/11/03/90/1032110390.db2.gz DZZPJLUIRAZTAX-YJBOKZPZSA-N 0 0 342.439 3.611 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)[C@H](C)CO1 ZINC000245948145 1015524588 /nfs/dbraw/zinc/52/45/88/1015524588.db2.gz KVAVMUZHECQWHJ-INMHGKMJSA-N 0 0 344.455 3.642 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)o1 ZINC000246204255 1015825902 /nfs/dbraw/zinc/82/59/02/1015825902.db2.gz NDCWIOBZCQSPPM-XJNFMUPTSA-N 0 0 332.444 3.638 10 0 EHAERN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2c2csc(C)n2)C1(C)C ZINC000275105363 1015999067 /nfs/dbraw/zinc/99/90/67/1015999067.db2.gz AQEFZYCYIUUNTB-YCPHGPKFSA-N 0 0 334.485 3.756 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3c2cccc3O)cs1 ZINC000275384692 1016653314 /nfs/dbraw/zinc/65/33/14/1016653314.db2.gz ZUJVEGUXNRBCJL-ZBFHGGJFSA-N 0 0 343.452 3.691 10 0 EHAERN COc1cc(CN[C@@H](c2nccs2)c2ccccc2)ccc1O ZINC000183311624 1032190219 /nfs/dbraw/zinc/19/02/19/1032190219.db2.gz FYUWJEQLLTYVRJ-QGZVFWFLSA-N 0 0 326.421 3.737 10 0 EHAERN CC(C)C[C@H](C)S(=O)(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000118431833 1032242541 /nfs/dbraw/zinc/24/25/41/1032242541.db2.gz IYTNSRYATCOEJV-ZFWWWQNUSA-N 0 0 338.498 3.587 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184456502 1032274349 /nfs/dbraw/zinc/27/43/49/1032274349.db2.gz HKGGXJTYURTBPH-HNNXBMFYSA-N 0 0 345.422 3.760 10 0 EHAERN C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cccc2c1OCC[C@H]2O ZINC000184574764 1032299974 /nfs/dbraw/zinc/29/99/74/1032299974.db2.gz PSAFQDWEDMTHCW-SUMWQHHRSA-N 0 0 341.407 3.664 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184458563 1032301569 /nfs/dbraw/zinc/30/15/69/1032301569.db2.gz FLHVWWMYVHFVTB-HNNXBMFYSA-N 0 0 331.395 3.506 10 0 EHAERN C[C@H](CC(=O)Nc1cccc2c1OCC[C@@H]2O)Cc1cccc(F)c1 ZINC000185348422 1032383097 /nfs/dbraw/zinc/38/30/97/1032383097.db2.gz AZNMOVHGGJRJTO-UGSOOPFHSA-N 0 0 343.398 3.849 10 0 EHAERN FC(F)(F)C12CC(C1)CN2Cc1ccc(Oc2ccccc2)nn1 ZINC000459801349 1032482643 /nfs/dbraw/zinc/48/26/43/1032482643.db2.gz GPSVANSGKIKOQD-UHFFFAOYSA-N 0 0 335.329 3.796 10 0 EHAERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000159182858 1032673803 /nfs/dbraw/zinc/67/38/03/1032673803.db2.gz BRLVATVLBGHTHP-NWDGAFQWSA-N 0 0 337.851 3.694 10 0 EHAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)NC12CC3CC(CC(C3)C1)C2 ZINC000074831757 1017999003 /nfs/dbraw/zinc/99/90/03/1017999003.db2.gz OCPHAQSHAAQFCE-JFNPMQPZSA-N 0 0 342.487 3.635 10 0 EHAERN Cc1noc(-c2ccccc2C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n1 ZINC000333536963 1019947254 /nfs/dbraw/zinc/94/72/54/1019947254.db2.gz RFZNLPOCXWESQA-BAGFXWCHSA-N 0 0 337.423 3.553 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](C)[C@H](O)C1)c1c(Cl)ccc(F)c1Cl ZINC000093372106 1032932698 /nfs/dbraw/zinc/93/26/98/1032932698.db2.gz UIFQEKXOGBIRQG-VDDIYKPWSA-N 0 0 349.233 3.606 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(Cl)s1 ZINC000093156138 1020878460 /nfs/dbraw/zinc/87/84/60/1020878460.db2.gz CNNYIMLJYWZYNC-MKBNYLNASA-N 0 0 342.892 3.799 10 0 EHAERN Cc1[nH]c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2c1C ZINC000127617934 1022386205 /nfs/dbraw/zinc/38/62/05/1022386205.db2.gz BORXGUDXDOYCNU-JXFKEZNVSA-N 0 0 326.440 3.552 10 0 EHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127755413 1022394047 /nfs/dbraw/zinc/39/40/47/1022394047.db2.gz DCNPVQVHLLIJGH-LRDDRELGSA-N 0 0 328.239 3.761 10 0 EHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@H]2CCCCC(=O)N2)s1 ZINC000328634912 1022452198 /nfs/dbraw/zinc/45/21/98/1022452198.db2.gz BTTJTGXQJUBBBK-CHWSQXEVSA-N 0 0 337.489 3.823 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C2CC2)n1 ZINC000328914114 1022543352 /nfs/dbraw/zinc/54/33/52/1022543352.db2.gz PZVXOMVIALKKSC-YLQAJVPDSA-N 0 0 340.427 3.593 10 0 EHAERN Cc1ccc2snc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)c2c1 ZINC000293613101 1022545431 /nfs/dbraw/zinc/54/54/31/1022545431.db2.gz LYSPNGRYZDUXPA-BMFZPTHFSA-N 0 0 344.480 3.760 10 0 EHAERN Cc1cc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccsc3)C2)c(C)o1 ZINC000121777950 1022797568 /nfs/dbraw/zinc/79/75/68/1022797568.db2.gz SUSHVBXUGDTUJQ-MLGOLLRUSA-N 0 0 334.441 3.802 10 0 EHAERN CCOc1ccc(COC(=O)/C=C\c2ncccc2C)cc1OCC ZINC000588451634 1023009684 /nfs/dbraw/zinc/00/96/84/1023009684.db2.gz GXJYHRRHWMNBHG-LUAWRHEFSA-N 0 0 341.407 3.944 10 0 EHAERN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000081179441 1023296704 /nfs/dbraw/zinc/29/67/04/1023296704.db2.gz VCVFHGUNKVYUQD-RHSMWYFYSA-N 0 0 343.471 3.565 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638207 1023956141 /nfs/dbraw/zinc/95/61/41/1023956141.db2.gz YTBXSHMTHOHTRY-MMMWYMCRSA-N 0 0 333.476 3.925 10 0 EHAERN Cc1ccc(C2(c3noc([C@H]4CC[C@H](C)O4)n3)CCOCC2)cc1 ZINC000329679380 1024040923 /nfs/dbraw/zinc/04/09/23/1024040923.db2.gz QUTXERFDUWXMMT-GOEBONIOSA-N 0 0 328.412 3.715 10 0 EHAERN CC1(C)CCCC[C@@H]1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000134618987 1024148985 /nfs/dbraw/zinc/14/89/85/1024148985.db2.gz GSXUDNKSIGECDE-GJZGRUSLSA-N 0 0 332.469 3.575 10 0 EHAERN C[C@@H]1CCCC[C@H]1c1noc([C@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329742017 1024171287 /nfs/dbraw/zinc/17/12/87/1024171287.db2.gz WGICTOOXYPXUAH-OWCLPIDISA-N 0 0 346.475 3.759 10 0 EHAERN Cc1nsc(C)c1-c1noc(-c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000330230362 1024366527 /nfs/dbraw/zinc/36/65/27/1024366527.db2.gz QMRFCZXMJMHZEI-UHFFFAOYSA-N 0 0 342.424 3.846 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NCc3ccc(Cl)cc3)CCO2)o1 ZINC000165812539 1024475584 /nfs/dbraw/zinc/47/55/84/1024475584.db2.gz FEYWPCGGMOJCRK-MRXNPFEDSA-N 0 0 334.803 3.525 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C/C=C/c3ccccc3F)CCO2)o1 ZINC000151733418 1024515850 /nfs/dbraw/zinc/51/58/50/1024515850.db2.gz NQXYPOXATCLBNE-MJICGBHWSA-N 0 0 329.371 3.731 10 0 EHAERN CC(C)CC(=O)N1CCC(CSc2nnc(C(C)(C)C)o2)CC1 ZINC000184990846 1024528917 /nfs/dbraw/zinc/52/89/17/1024528917.db2.gz XMULOTLRANVYPM-UHFFFAOYSA-N 0 0 339.505 3.744 10 0 EHAERN COc1cccc(/C(C)=C/C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000151794404 1024655120 /nfs/dbraw/zinc/65/51/20/1024655120.db2.gz VHEHDCHUVUUHFS-VUVZNRFTSA-N 0 0 341.407 3.600 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000588506140 1025368462 /nfs/dbraw/zinc/36/84/62/1025368462.db2.gz MUJRTHDLLJAZFM-FPAJZGIOSA-N 0 0 340.261 3.591 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)NCCCOC3CCCC3)c21 ZINC000103181325 1026055662 /nfs/dbraw/zinc/05/56/62/1026055662.db2.gz LXBWSIQNWLXACB-UHFFFAOYSA-N 0 0 343.471 3.667 10 0 EHAERN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000047923465 1026215334 /nfs/dbraw/zinc/21/53/34/1026215334.db2.gz OWISPYOXHIVKAR-SJORKVTESA-N 0 0 345.830 3.514 10 0 EHAERN Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)nc1 ZINC000152680686 1026529798 /nfs/dbraw/zinc/52/97/98/1026529798.db2.gz GBPSEJSRFUYMPY-IEBWSBKVSA-N 0 0 341.499 3.788 10 0 EHAERN FC(F)(F)c1cnc(N2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000301182763 1026714415 /nfs/dbraw/zinc/71/44/15/1026714415.db2.gz NUTAZLOZNOORNM-LLVKDONJSA-N 0 0 330.741 3.792 10 0 EHAERN CCc1nc2sccc2c(N2CCO[C@H](c3ccc(C)o3)C2)n1 ZINC000301830687 1026956049 /nfs/dbraw/zinc/95/60/49/1026956049.db2.gz HUFCZVHMQJBIGV-AWEZNQCLSA-N 0 0 329.425 3.733 10 0 EHAERN C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1(Cl)Cl ZINC000126206827 1027173757 /nfs/dbraw/zinc/17/37/57/1027173757.db2.gz YTLDYQYZRXBOCF-HIFRSBDPSA-N 0 0 327.255 3.673 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CCO2)o1 ZINC000127092139 1027271394 /nfs/dbraw/zinc/27/13/94/1027271394.db2.gz IJOHTUBSEZQAQF-QGZVFWFLSA-N 0 0 344.798 3.936 10 0 EHAERN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000123435699 1027305112 /nfs/dbraw/zinc/30/51/12/1027305112.db2.gz QUDGPGRVXNPWJU-RYUDHWBXSA-N 0 0 342.374 3.691 10 0 EHAERN O=C(Nc1cnc(C2CC2)nc1)N[C@H](c1ccco1)c1ccccc1 ZINC000105037694 1027562992 /nfs/dbraw/zinc/56/29/92/1027562992.db2.gz OOFFIGCJEUXTBG-KRWDZBQOSA-N 0 0 334.379 3.858 10 0 EHAERN C[C@@H](NC(=O)N[C@@H]1COc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000106549464 1027712154 /nfs/dbraw/zinc/71/21/54/1027712154.db2.gz YZQXBLPVCZARQV-DGCLKSJQSA-N 0 0 345.468 3.935 10 0 EHAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)c1nccs1 ZINC000246132743 1027801714 /nfs/dbraw/zinc/80/17/14/1027801714.db2.gz ACRKZQRVEYFXQP-HIFRSBDPSA-N 0 0 344.484 3.644 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000132789990 1027964733 /nfs/dbraw/zinc/96/47/33/1027964733.db2.gz GVFZSQAEMBKHFB-FZKQIMNGSA-N 0 0 334.375 3.523 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133349076 1028023139 /nfs/dbraw/zinc/02/31/39/1028023139.db2.gz HQWXSOTVNQCERI-LIRRHRJNSA-N 0 0 345.414 3.896 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1ccc(F)c(Cl)c1 ZINC000133858963 1028072235 /nfs/dbraw/zinc/07/22/35/1028072235.db2.gz MHHQCXKYAPEEKF-NORZTCDRSA-N 0 0 340.826 3.751 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000246263383 1028109443 /nfs/dbraw/zinc/10/94/43/1028109443.db2.gz AAKGEIBYVKDNDQ-RFQIPJPRSA-N 0 0 335.494 3.850 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3)[C@H]2CCCC[C@@H]12 ZINC000248425444 1028296263 /nfs/dbraw/zinc/29/62/63/1028296263.db2.gz NYEQIDACXNGJDT-PVUWLOKVSA-N 0 0 327.428 3.614 10 0 EHAERN CSc1ccccc1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000056044878 1028307402 /nfs/dbraw/zinc/30/74/02/1028307402.db2.gz HOTBHDRBCFOPGG-CQSZACIVSA-N 0 0 326.465 3.762 10 0 EHAERN O=C(c1csc(-c2ccoc2)n1)N1CCC[C@H](c2nccs2)C1 ZINC000067047664 1028354743 /nfs/dbraw/zinc/35/47/43/1028354743.db2.gz KVGILNYMLGOQMW-NSHDSACASA-N 0 0 345.449 3.879 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cc1 ZINC000062555164 1028450186 /nfs/dbraw/zinc/45/01/86/1028450186.db2.gz IOZAQUNSXMMNMD-MRXNPFEDSA-N 0 0 325.408 3.626 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000246420859 1028480317 /nfs/dbraw/zinc/48/03/17/1028480317.db2.gz NFOPGWLXSIRVDI-DKSSEZFCSA-N 0 0 327.399 3.654 10 0 EHAERN O=C(Nc1ccc(-c2ccccc2)nn1)[C@@H]1CCCc2cccnc21 ZINC000194621590 1028527286 /nfs/dbraw/zinc/52/72/86/1028527286.db2.gz RELQDKBYAXQMSX-MRXNPFEDSA-N 0 0 330.391 3.597 10 0 EHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1cccc(-n2cccn2)c1 ZINC000073204568 1028546291 /nfs/dbraw/zinc/54/62/91/1028546291.db2.gz SZLDPUVHCDQWTO-QEEYODRMSA-N 0 0 347.418 3.614 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(Oc2ccncc2)c1 ZINC000246635885 1028670830 /nfs/dbraw/zinc/67/08/30/1028670830.db2.gz CFPWGLACOXQZKF-OTWHNJEPSA-N 0 0 338.407 3.561 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(F)cc1C(F)(F)F ZINC000246639722 1028673353 /nfs/dbraw/zinc/67/33/53/1028673353.db2.gz KTFGLPBUFXMSFQ-IACUBPJLSA-N 0 0 331.309 3.532 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1C(F)(F)F ZINC000246813448 1028697448 /nfs/dbraw/zinc/69/74/48/1028697448.db2.gz PXACXFLELZNAPW-NWANDNLSSA-N 0 0 339.357 3.783 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2nc(Cl)ccc2c1 ZINC000246873324 1028705039 /nfs/dbraw/zinc/70/50/39/1028705039.db2.gz DKAHYQHRAWADJT-NUEKZKHPSA-N 0 0 330.815 3.576 10 0 EHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245436029 1028709626 /nfs/dbraw/zinc/70/96/26/1028709626.db2.gz UPUOWUAZWWPSII-MRVWCRGKSA-N 0 0 342.361 3.949 10 0 EHAERN CC[C@H](C)[C@@H](C)N(C(=O)NCC[C@H]1c2ccccc2NC1=O)C1CC1 ZINC000245429107 1028710354 /nfs/dbraw/zinc/71/03/54/1028710354.db2.gz JZZDDEPQMJGJFF-VBQJREDUSA-N 0 0 343.471 3.721 10 0 EHAERN O=C(c1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1)c1cccc(O)c1 ZINC000333608158 1028763187 /nfs/dbraw/zinc/76/31/87/1028763187.db2.gz ZPPIRHJAUFIAFH-KUHUBIRLSA-N 0 0 335.403 3.638 10 0 EHAERN Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)s2)o1 ZINC000247644371 1028807178 /nfs/dbraw/zinc/80/71/78/1028807178.db2.gz VYQPPDQRAZFBJU-MJBXVCDLSA-N 0 0 346.452 3.707 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)c(Cl)cc1Cl ZINC000247676062 1028809000 /nfs/dbraw/zinc/80/90/00/1028809000.db2.gz ZCUNOWIRXIJUDU-MCCGJVOXSA-N 0 0 332.202 3.820 10 0 EHAERN COc1ccc(C[C@H](C)C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000248120638 1028850535 /nfs/dbraw/zinc/85/05/35/1028850535.db2.gz UGVDOTGQOBLQQR-VJICWTENSA-N 0 0 335.447 3.576 10 0 EHAERN CCCCC[C@@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000248262527 1028864299 /nfs/dbraw/zinc/86/42/99/1028864299.db2.gz MXIMQRGIDPXKBT-CQSZACIVSA-N 0 0 336.501 3.685 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)CCO1 ZINC000248522867 1028882061 /nfs/dbraw/zinc/88/20/61/1028882061.db2.gz BYGYYPRBDSAAQF-PHXBYCTMSA-N 0 0 345.483 3.995 10 0 EHAERN Cc1csc([C@H](C)CNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000248586927 1028922446 /nfs/dbraw/zinc/92/24/46/1028922446.db2.gz QHOFFCFNEIMSKR-IOASZLSFSA-N 0 0 329.469 3.958 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC000245613592 1028925818 /nfs/dbraw/zinc/92/58/18/1028925818.db2.gz LYYGDEUOPREKMB-MPPDQPJWSA-N 0 0 334.359 3.813 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCC(c2ccsc2)CC1 ZINC000249152414 1028993280 /nfs/dbraw/zinc/99/32/80/1028993280.db2.gz XZJSAKOFTDLULX-GVDBMIGSSA-N 0 0 346.496 3.595 10 0 EHAERN COCCOc1ccccc1CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000245708832 1029091636 /nfs/dbraw/zinc/09/16/36/1029091636.db2.gz FQPOZBLQFNZELY-KXBFYZLASA-N 0 0 347.480 3.735 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000252441614 1029186455 /nfs/dbraw/zinc/18/64/55/1029186455.db2.gz NQFOEWKAZQLWRR-BBWFWOEESA-N 0 0 329.831 3.920 10 0 EHAERN CCOc1ncccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078188413 1029240371 /nfs/dbraw/zinc/24/03/71/1029240371.db2.gz LBOYIJCYLNCBEP-ZBFHGGJFSA-N 0 0 340.423 3.507 10 0 EHAERN C[C@H]1C[C@H](C(=O)N2CCC(NC(=O)c3ccsc3)CC2)C[C@@H](C)C1 ZINC000245755464 1029249973 /nfs/dbraw/zinc/24/99/73/1029249973.db2.gz URUVLFDJZALQNH-FOLVSLTJSA-N 0 0 348.512 3.541 10 0 EHAERN C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](c2ccco2)C1 ZINC000282053470 1029375042 /nfs/dbraw/zinc/37/50/42/1029375042.db2.gz AXKVFTJZZQKKEJ-UUAJXVIYSA-N 0 0 334.460 3.966 10 0 EHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000245857857 1029387434 /nfs/dbraw/zinc/38/74/34/1029387434.db2.gz CTFURKXFKZNNFF-AOIWGVFYSA-N 0 0 343.515 3.625 10 0 EHAERN CCCc1ccc(NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000155008425 1029397674 /nfs/dbraw/zinc/39/76/74/1029397674.db2.gz LLPKSSKBZUQBOO-IBGZPJMESA-N 0 0 340.423 3.950 10 0 EHAERN CCCCC[C@H](C)CC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000079385384 1029619899 /nfs/dbraw/zinc/61/98/99/1029619899.db2.gz HMJQYJGYGHRRNT-AWEZNQCLSA-N 0 0 349.475 3.767 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(F)ccc3O)C2)cc1 ZINC000080029372 1029813186 /nfs/dbraw/zinc/81/31/86/1029813186.db2.gz BNEYGWWINRLCMS-OCCSQVGLSA-N 0 0 329.371 3.558 10 0 EHAERN CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114804343 1029827789 /nfs/dbraw/zinc/82/77/89/1029827789.db2.gz GINPKYHBPDYNHH-CYBMUJFWSA-N 0 0 330.457 3.621 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000114813946 1029838694 /nfs/dbraw/zinc/83/86/94/1029838694.db2.gz RKERCOYWFVWYQR-ZDUSSCGKSA-N 0 0 331.441 3.872 10 0 EHAERN CCc1onc(C)c1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000089440402 1029910057 /nfs/dbraw/zinc/91/00/57/1029910057.db2.gz VOHGRTNPXRPMOF-UHFFFAOYSA-N 0 0 346.406 3.793 10 0 EHAERN CCCc1nc(C)c(-c2nc([C@H](Cc3ccccc3)OC)no2)o1 ZINC000453207999 1029912111 /nfs/dbraw/zinc/91/21/11/1029912111.db2.gz ACEDPKQUYGBGNU-AWEZNQCLSA-N 0 0 327.384 3.916 10 0 EHAERN CCCc1nc(C)c(-c2nc([C@@H](Cc3ccccc3)OC)no2)o1 ZINC000453208001 1029913051 /nfs/dbraw/zinc/91/30/51/1029913051.db2.gz ACEDPKQUYGBGNU-CQSZACIVSA-N 0 0 327.384 3.916 10 0 EHAERN CC(=O)c1ccccc1C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089763443 1029985147 /nfs/dbraw/zinc/98/51/47/1029985147.db2.gz ICVURLJSHWJXEN-INIZCTEOSA-N 0 0 343.810 3.836 10 0 EHAERN Fc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1F ZINC000090202710 1030089797 /nfs/dbraw/zinc/08/97/97/1030089797.db2.gz XNJGQWIXNGTYQQ-OAHLLOKOSA-N 0 0 335.741 3.880 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CSCC(F)(F)F)C2)cc1 ZINC000090420178 1030112474 /nfs/dbraw/zinc/11/24/74/1030112474.db2.gz LZAAHKNIRFKBDI-AAEUAGOBSA-N 0 0 347.402 3.695 10 0 EHAERN CC(C)C[C@H]1NC(=O)N(c2nc3c(s2)C[C@H](C(C)(C)C)CC3)C1=O ZINC000329268602 1030183579 /nfs/dbraw/zinc/18/35/79/1030183579.db2.gz GRCZVMHRJLPNCN-DGCLKSJQSA-N 0 0 349.500 3.969 10 0 EHAERN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632364 1030689294 /nfs/dbraw/zinc/68/92/94/1030689294.db2.gz RZTCTLZBTIHCFI-UHFFFAOYSA-N 0 0 348.284 3.711 10 0 EHAERN Cc1cc(C(=O)Nc2cccc(-c3ncon3)c2)c2ccccc2n1 ZINC000170632830 1030693027 /nfs/dbraw/zinc/69/30/27/1030693027.db2.gz RRINFCRDDGGHRI-UHFFFAOYSA-N 0 0 330.347 3.846 10 0 EHAERN Cc1ccc(SCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000171647614 1030771837 /nfs/dbraw/zinc/77/18/37/1030771837.db2.gz IHPDTAFBRYNBFL-CQSZACIVSA-N 0 0 332.494 3.950 10 0 EHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171722905 1030812106 /nfs/dbraw/zinc/81/21/06/1030812106.db2.gz DBZCBWPRYJWLKR-SNVBAGLBSA-N 0 0 339.511 3.519 10 0 EHAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC[C@H](c2nccs2)C1 ZINC000171721771 1030813615 /nfs/dbraw/zinc/81/36/15/1030813615.db2.gz RCSQNOTZMYMBLM-QMMMGPOBSA-N 0 0 330.240 3.798 10 0 EHAERN O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000172091856 1030829983 /nfs/dbraw/zinc/82/99/83/1030829983.db2.gz MHSWBCXVGWMCBI-CQSZACIVSA-N 0 0 338.436 3.553 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000172221037 1030874675 /nfs/dbraw/zinc/87/46/75/1030874675.db2.gz SOCMKLFHYBLRAD-DZGCQCFKSA-N 0 0 343.452 3.556 10 0 EHAERN CCS[C@H](C)c1noc(CN2CCC[C@@H](c3nccs3)C2)n1 ZINC000247113310 1030893848 /nfs/dbraw/zinc/89/38/48/1030893848.db2.gz AEYXNCIYTAAREW-VXGBXAGGSA-N 0 0 338.502 3.720 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C[C@@H]1n1ccnc1 ZINC000248731828 1030920650 /nfs/dbraw/zinc/92/06/50/1030920650.db2.gz OQSFFVWQXDCOQV-KBMXLJTQSA-N 0 0 344.484 3.615 10 0 EHAERN CC(C)C[C@H](C)S(=O)(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000172414415 1030944379 /nfs/dbraw/zinc/94/43/79/1030944379.db2.gz KMLDUAKLCLHSFR-YJBOKZPZSA-N 0 0 332.469 3.525 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)cc1OC(F)F ZINC000172725037 1030985814 /nfs/dbraw/zinc/98/58/14/1030985814.db2.gz CZURTVOUSQTQKR-BJOHPYRUSA-N 0 0 337.297 3.930 10 0 EHAERN O=C(c1cc2cc(F)ccc2oc1=O)N1CC2(CC2)c2ccccc21 ZINC000173137467 1031075893 /nfs/dbraw/zinc/07/58/93/1031075893.db2.gz OEMWTILETLRNDQ-UHFFFAOYSA-N 0 0 335.334 3.624 10 0 EHAERN Cc1csc([C@H](NC(=O)[C@H]2Oc3ccccc3[C@H]2C)C2CC2)n1 ZINC000173391001 1031083975 /nfs/dbraw/zinc/08/39/75/1031083975.db2.gz LPFPNBJOPYNESL-LYRGGWFBSA-N 0 0 328.437 3.584 10 0 EHAERN C[C@@H](C(=O)N1CCC(Cc2ccccn2)CC1)c1cccc(F)c1 ZINC000173608023 1031119146 /nfs/dbraw/zinc/11/91/46/1031119146.db2.gz FHADBURIBPSTRT-OAHLLOKOSA-N 0 0 326.415 3.806 10 0 EHAERN O=C(c1cc(F)cc(F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174068096 1031160323 /nfs/dbraw/zinc/16/03/23/1031160323.db2.gz MKSZCIXGHVCYFQ-UHFFFAOYSA-N 0 0 334.341 3.821 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC2(C1)CCCCC2 ZINC000174241621 1031183172 /nfs/dbraw/zinc/18/31/72/1031183172.db2.gz NKOFPSWCTWRZKW-INIZCTEOSA-N 0 0 344.480 3.672 10 0 EHAERN CCc1ccc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000174405241 1031215885 /nfs/dbraw/zinc/21/58/85/1031215885.db2.gz NMJZSFANOOMVJH-UHFFFAOYSA-N 0 0 338.455 3.743 10 0 EHAERN Cc1ccc(CCNC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000116555428 1031218223 /nfs/dbraw/zinc/21/82/23/1031218223.db2.gz HAMJQLPRBCADKR-INIZCTEOSA-N 0 0 329.469 3.583 10 0 EHAERN C[C@]12CCCN1C[C@H](c1noc([C@H]3C[C@@H]3C3CCCCC3)n1)OC2 ZINC000329598795 1031271378 /nfs/dbraw/zinc/27/13/78/1031271378.db2.gz PSNWIFKUFIMOQP-YYAJDYIMSA-N 0 0 331.460 3.679 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)Nc3cccc(-c4cc[nH]n4)c3)nc21 ZINC000175401785 1031304193 /nfs/dbraw/zinc/30/41/93/1031304193.db2.gz AEONUAQTCLEYES-UHFFFAOYSA-N 0 0 345.406 3.833 10 0 EHAERN CC[C@H](C)[C@@H](C)N(C(=O)NCC[C@@H]1c2ccccc2NC1=O)C1CC1 ZINC000175192060 1031311226 /nfs/dbraw/zinc/31/12/26/1031311226.db2.gz JZZDDEPQMJGJFF-JJRVBVJISA-N 0 0 343.471 3.721 10 0 EHAERN O[C@@H](C[C@H]1CCCN1Cc1cn2ccsc2n1)c1cccs1 ZINC000175816066 1031384278 /nfs/dbraw/zinc/38/42/78/1031384278.db2.gz JJSFCOFVPHCRJD-KGLIPLIRSA-N 0 0 333.482 3.545 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc3c(c2)ncn3C)cc1 ZINC000158535904 1031423814 /nfs/dbraw/zinc/42/38/14/1031423814.db2.gz QGGLVWUJFDGMOH-SFHVURJKSA-N 0 0 334.423 3.644 10 0 EHAERN COc1ccc(Cl)cc1/C=C/C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000176752989 1031456530 /nfs/dbraw/zinc/45/65/30/1031456530.db2.gz LZWPDTUTXREHQP-PFWMLDTASA-N 0 0 347.798 3.555 10 0 EHAERN Cc1ccc(/C=C/CC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000176648759 1031469352 /nfs/dbraw/zinc/46/93/52/1031469352.db2.gz UEMDGWVQWWGKKF-GQCTYLIASA-N 0 0 349.478 3.887 10 0 EHAERN C[C@H](NC(=O)c1ncncc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000177700140 1031589582 /nfs/dbraw/zinc/58/95/82/1031589582.db2.gz CECALDQXETVKDK-LBPRGKRZSA-N 0 0 338.798 3.683 10 0 EHAERN CCSc1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000178206805 1031642823 /nfs/dbraw/zinc/64/28/23/1031642823.db2.gz AVCZGVVJPDGIPE-INIZCTEOSA-N 0 0 343.452 3.879 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3nc(C)sc3C)C2)cc1 ZINC000178682986 1031715468 /nfs/dbraw/zinc/71/54/68/1031715468.db2.gz VIADOPOILAFLSC-IAQYHMDHSA-N 0 0 330.453 3.787 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3nc(C(C)C)cs3)CCO2)o1 ZINC000178940743 1031723777 /nfs/dbraw/zinc/72/37/77/1031723777.db2.gz GLPREMHMUJMYNH-CQSZACIVSA-N 0 0 335.429 3.773 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000179062327 1031729628 /nfs/dbraw/zinc/72/96/28/1031729628.db2.gz VAUVYKWCUWQCLU-RTBURBONSA-N 0 0 340.423 3.822 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000179392990 1031747137 /nfs/dbraw/zinc/74/71/37/1031747137.db2.gz FQQQWACGTMLJNB-KRWDZBQOSA-N 0 0 330.384 3.510 10 0 EHAERN CCOc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1OC ZINC000117577908 1031757171 /nfs/dbraw/zinc/75/71/71/1031757171.db2.gz YRWAQPHEFVIZGX-XIKOKIGWSA-N 0 0 327.380 3.597 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000117579683 1031757508 /nfs/dbraw/zinc/75/75/08/1031757508.db2.gz GNEADIZPCSWWOY-ABAIWWIYSA-N 0 0 339.313 3.735 10 0 EHAERN Cn1cccc1[C@@H]1CCCN1C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179497731 1031779374 /nfs/dbraw/zinc/77/93/74/1031779374.db2.gz OCJXVUAGPIXAHW-KRWDZBQOSA-N 0 0 335.411 3.784 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000117623260 1031782280 /nfs/dbraw/zinc/78/22/80/1031782280.db2.gz RFZHGBKBVDUFCK-SGTLLEGYSA-N 0 0 337.354 3.515 10 0 EHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117623804 1031782991 /nfs/dbraw/zinc/78/29/91/1031782991.db2.gz BBQYRNVVXGJZTE-BMLIUANNSA-N 0 0 344.798 3.802 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Oc1cccc(Oc2ncccn2)c1 ZINC000117641941 1031785033 /nfs/dbraw/zinc/78/50/33/1031785033.db2.gz RRUHMLULDOBTFL-SCLBCKFNSA-N 0 0 348.358 3.739 10 0 EHAERN Cc1cc(C(=O)N2CC=C(c3cccs3)CC2)nn1C(C)(C)C ZINC000117720717 1031840605 /nfs/dbraw/zinc/84/06/05/1031840605.db2.gz YURWZJCIQBIXIB-UHFFFAOYSA-N 0 0 329.469 3.938 10 0 EHAERN COc1cc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000180086219 1031841076 /nfs/dbraw/zinc/84/10/76/1031841076.db2.gz ZBWOQNRIKGZYDD-ORAYPTAESA-N 0 0 331.387 3.502 10 0 EHAERN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117794794 1031854451 /nfs/dbraw/zinc/85/44/51/1031854451.db2.gz GALPITDZKBKLMQ-TYILLQQXSA-N 0 0 349.434 3.798 10 0 EHAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000180444133 1031856636 /nfs/dbraw/zinc/85/66/36/1031856636.db2.gz MATQHRBIQMNUNV-RDJZCZTQSA-N 0 0 342.443 3.757 10 0 EHAERN Cn1nccc1C1CCN(C(=O)CCc2cc3ccccc3o2)CC1 ZINC000329697965 1031859278 /nfs/dbraw/zinc/85/92/78/1031859278.db2.gz YQCBQPDRORPITQ-UHFFFAOYSA-N 0 0 337.423 3.505 10 0 EHAERN Cc1cc(C)cc(/C=C/C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000180239097 1031870776 /nfs/dbraw/zinc/87/07/76/1031870776.db2.gz IFSCZAAMSGJVOW-XJDXJNMNSA-N 0 0 343.467 3.503 10 0 EHAERN O=C(c1c(Cl)nc2ccccn21)N1CC=C(c2cccs2)CC1 ZINC000117856926 1031910197 /nfs/dbraw/zinc/91/01/97/1031910197.db2.gz YNSPFCJEHDCIQG-UHFFFAOYSA-N 0 0 343.839 3.979 10 0 EHAERN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC=C(c2cccs2)CC1 ZINC000117894621 1031919605 /nfs/dbraw/zinc/91/96/05/1031919605.db2.gz AOOOSZSTRRRZGJ-ZDUSSCGKSA-N 0 0 337.448 3.835 10 0 EHAERN C[C@@]1(C(=O)N[C@H]2CCCOc3c(F)cccc32)CC1(Cl)Cl ZINC000181050692 1031941297 /nfs/dbraw/zinc/94/12/97/1031941297.db2.gz NJHHBQSLNWUKMV-FZMZJTMJSA-N 0 0 332.202 3.740 10 0 EHAERN CC(=CC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1Cl ZINC000181391974 1031982296 /nfs/dbraw/zinc/98/22/96/1031982296.db2.gz OEMAMSGYNYOYHF-HBIYDYFMSA-N 0 0 330.819 3.615 10 0 EHAERN CC[C@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccc(OC)cc1 ZINC000181519031 1032000209 /nfs/dbraw/zinc/00/02/09/1032000209.db2.gz INBUNBBMPQIVIG-HKUYNNGSSA-N 0 0 343.423 3.690 10 0 EHAERN O=C(N[C@@H]1CCSc2ccccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000158759884 1033299244 /nfs/dbraw/zinc/29/92/44/1033299244.db2.gz GGTCQJDRIPEUHO-IDHHARJASA-N 0 0 346.496 3.560 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000120121663 1033379954 /nfs/dbraw/zinc/37/99/54/1033379954.db2.gz CPLFMUJEAAAYIO-OQMKEHIESA-N 0 0 337.822 3.610 10 0 EHAERN C[C@H](SCc1nc(N)c2ccccc2n1)c1nc(C(C)(C)C)no1 ZINC000105624859 1033487340 /nfs/dbraw/zinc/48/73/40/1033487340.db2.gz NVYINTLSHRDWFV-JTQLQIEISA-N 0 0 343.456 3.887 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000120561922 1033929147 /nfs/dbraw/zinc/92/91/47/1033929147.db2.gz PYOAASOPGZJBHL-FZMZJTMJSA-N 0 0 334.466 3.513 10 0 EHAERN CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3cnn(C)c3)CC2)C1 ZINC000159046139 1034134073 /nfs/dbraw/zinc/13/40/73/1034134073.db2.gz ZEMIMYMSVRTRBM-SJLPKXTDSA-N 0 0 332.492 3.524 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3c[nH]c4ncccc34)C2)cc1 ZINC000121130540 1034468644 /nfs/dbraw/zinc/46/86/44/1034468644.db2.gz HAMDHZKSMQAYDT-YOEHRIQHSA-N 0 0 349.434 3.519 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cnn(C(C)(C)C)c3)C2)cc1 ZINC000121146124 1034475316 /nfs/dbraw/zinc/47/53/16/1034475316.db2.gz DLNQEOCLJMJZDU-GOEBONIOSA-N 0 0 341.455 3.665 10 0 EHAERN CSc1cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)ccc1F ZINC000121157114 1034478695 /nfs/dbraw/zinc/47/86/95/1034478695.db2.gz UWOKVSKMHBGJPH-HNNXBMFYSA-N 0 0 335.400 3.663 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000121284404 1034633727 /nfs/dbraw/zinc/63/37/27/1034633727.db2.gz SEKPMECNDBUGJA-JSGCOSHPSA-N 0 0 332.831 3.705 10 0 EHAERN Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)cc2c1 ZINC000282198054 1035486427 /nfs/dbraw/zinc/48/64/27/1035486427.db2.gz SPXOQMQMGZEBOA-BRWVUGGUSA-N 0 0 327.424 3.897 10 0 EHAERN Cc1csc(C2CCN(C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000185836000 1035518114 /nfs/dbraw/zinc/51/81/14/1035518114.db2.gz DKJMZLFWSOZZAU-UHFFFAOYSA-N 0 0 329.469 3.883 10 0 EHAERN CSCCCCCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000186169581 1035593757 /nfs/dbraw/zinc/59/37/57/1035593757.db2.gz INDKNGSQRCKLKN-CYBMUJFWSA-N 0 0 327.519 3.565 10 0 EHAERN CC(=O)CCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000186370635 1035648731 /nfs/dbraw/zinc/64/87/31/1035648731.db2.gz DGJOYLSYDSFRGB-QGZVFWFLSA-N 0 0 339.439 3.542 10 0 EHAERN O=C(NCCC[C@H]1CCCCO1)N1CC=C(c2cccs2)CC1 ZINC000186612471 1035672957 /nfs/dbraw/zinc/67/29/57/1035672957.db2.gz OEHNDOYIVKFWBN-MRXNPFEDSA-N 0 0 334.485 3.896 10 0 EHAERN COc1cnccc1[C@@H](C)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000187007558 1035740932 /nfs/dbraw/zinc/74/09/32/1035740932.db2.gz BLUWXUQSABZILY-LLVKDONJSA-N 0 0 344.802 3.644 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000174912434 1035778728 /nfs/dbraw/zinc/77/87/28/1035778728.db2.gz AUBCVYOIBZQCRM-VXGBXAGGSA-N 0 0 336.486 3.558 10 0 EHAERN COc1ccc(F)c(C(=O)N2CC=C(c3ccccc3)CC2)c1OC ZINC000188116933 1035900712 /nfs/dbraw/zinc/90/07/12/1035900712.db2.gz QLGFYJJSBXTOJS-UHFFFAOYSA-N 0 0 341.382 3.772 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(SC(F)(F)F)cc1 ZINC000188466070 1035940332 /nfs/dbraw/zinc/94/03/32/1035940332.db2.gz NGMQRMRMDYKSSL-JHJVBQTASA-N 0 0 331.359 3.596 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188530316 1035948237 /nfs/dbraw/zinc/94/82/37/1035948237.db2.gz WJIFVYFNEOEXCA-RHSMWYFYSA-N 0 0 334.419 3.508 10 0 EHAERN C[C@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000188917101 1035983196 /nfs/dbraw/zinc/98/31/96/1035983196.db2.gz PLEYQHPWNSEEGD-GOEBONIOSA-N 0 0 348.512 3.685 10 0 EHAERN COCCC1(CNC(=O)N[C@@H]2CCCc3c(O)cccc32)CCCC1 ZINC000189570349 1036088851 /nfs/dbraw/zinc/08/88/51/1036088851.db2.gz XKKAZTNOXOEWNA-QGZVFWFLSA-N 0 0 346.471 3.666 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000189662477 1036114871 /nfs/dbraw/zinc/11/48/71/1036114871.db2.gz ZVBCXAZIFABIBP-UHFFFAOYSA-N 0 0 332.407 3.943 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cnc(Cl)cc1C ZINC000189775613 1036125965 /nfs/dbraw/zinc/12/59/65/1036125965.db2.gz DIRUFJRFMIKFMQ-ZDUSSCGKSA-N 0 0 331.803 3.997 10 0 EHAERN CCn1c(C)cc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1C ZINC000189835225 1036152635 /nfs/dbraw/zinc/15/26/35/1036152635.db2.gz FFPSMMVNJZDAPU-UHFFFAOYSA-N 0 0 338.451 3.833 10 0 EHAERN CC(C)c1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)no1 ZINC000189842070 1036153259 /nfs/dbraw/zinc/15/32/59/1036153259.db2.gz JLDVLNOBWWNYIQ-UHFFFAOYSA-N 0 0 326.396 3.507 10 0 EHAERN CC1CCN(c2ccc(NC(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)cc2)CC1 ZINC000189908558 1036162044 /nfs/dbraw/zinc/16/20/44/1036162044.db2.gz AWSHHYMONHXNEO-GUDVDZBRSA-N 0 0 343.471 3.612 10 0 EHAERN Cc1c(C(=O)N[C@H]2CCOc3c(C)cccc32)cnn1C(C)(C)C ZINC000189955932 1036168044 /nfs/dbraw/zinc/16/80/44/1036168044.db2.gz HVLOHUKZIQAKRZ-INIZCTEOSA-N 0 0 327.428 3.509 10 0 EHAERN O=C(Nc1ccccc1SC(F)(F)F)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190010712 1036182983 /nfs/dbraw/zinc/18/29/83/1036182983.db2.gz QUVUPMKBZUAMKI-JLLWLGSASA-N 0 0 346.374 3.988 10 0 EHAERN Cc1nnc([C@@H](NCc2ccc(OCC3CC3)cc2)c2ccccc2)[nH]1 ZINC000190941944 1036308390 /nfs/dbraw/zinc/30/83/90/1036308390.db2.gz FFZMURHSHOTHJQ-FQEVSTJZSA-N 0 0 348.450 3.781 10 0 EHAERN CC(C)c1c(NC(=O)c2ncncc2Cl)cnn1-c1ccccc1 ZINC000191051360 1036334104 /nfs/dbraw/zinc/33/41/04/1036334104.db2.gz BFNCAMIVFWDCJC-UHFFFAOYSA-N 0 0 341.802 3.691 10 0 EHAERN Cn1c2ccccc2nc1CN1CC2(CCOCC2)c2ccccc21 ZINC000191621229 1036400932 /nfs/dbraw/zinc/40/09/32/1036400932.db2.gz RVQXTAPDUDAUBZ-UHFFFAOYSA-N 0 0 333.435 3.642 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191798622 1036428848 /nfs/dbraw/zinc/42/88/48/1036428848.db2.gz RQDPGDAUZFZEOI-YPMLDQLKSA-N 0 0 341.794 3.972 10 0 EHAERN Cn1c(CN2CCC[C@H](c3cc(F)ccc3F)C2)nnc1C1CCC1 ZINC000191689514 1036433829 /nfs/dbraw/zinc/43/38/29/1036433829.db2.gz VBFKMNUAYPWCPA-AWEZNQCLSA-N 0 0 346.425 3.740 10 0 EHAERN CC[C@@H](C)Sc1ccc(NC(=O)N2CCCN(C)C(=O)C2)c(C)c1 ZINC000191909895 1036442619 /nfs/dbraw/zinc/44/26/19/1036442619.db2.gz FWXXNXGORAYWJK-CQSZACIVSA-N 0 0 349.500 3.582 10 0 EHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@@H](c1ccccc1)C1CC1 ZINC000193244365 1036583570 /nfs/dbraw/zinc/58/35/70/1036583570.db2.gz QITWDSQMTXPNIS-MJGOQNOKSA-N 0 0 349.434 3.563 10 0 EHAERN Cc1cccc(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)n1 ZINC000102800080 1036658237 /nfs/dbraw/zinc/65/82/37/1036658237.db2.gz HQUWKFQUBJVIIV-UHFFFAOYSA-N 0 0 327.281 3.870 10 0 EHAERN CCn1cnnc1-c1ccccc1NC(=O)Cc1ccc(C)s1 ZINC000104267673 1037001743 /nfs/dbraw/zinc/00/17/43/1037001743.db2.gz QAFREPJNROVFMB-UHFFFAOYSA-N 0 0 326.425 3.516 10 0 EHAERN CCn1cnnc1-c1ccccc1NC(=O)c1cccc2ncccc21 ZINC000105368514 1037195487 /nfs/dbraw/zinc/19/54/87/1037195487.db2.gz NLESMBGTSNSUQD-UHFFFAOYSA-N 0 0 343.390 3.766 10 0 EHAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(Cl)cc1Cl ZINC000105661990 1037235796 /nfs/dbraw/zinc/23/57/96/1037235796.db2.gz RSBHSYMAUKYCHJ-HXUWFJFHSA-N 0 0 336.284 3.547 10 0 EHAERN CC(C)(C)c1nc(CC(=O)Nc2cccc(-c3ncon3)c2)cs1 ZINC000102644430 1037582979 /nfs/dbraw/zinc/58/29/79/1037582979.db2.gz OYHYNTZWLJTGGU-UHFFFAOYSA-N 0 0 342.424 3.672 10 0 EHAERN O=C(c1ncoc1-c1ccc(F)cc1)N1CC(c2ccccc2F)C1 ZINC000462995777 1037633494 /nfs/dbraw/zinc/63/34/94/1037633494.db2.gz WBZDYBSKYSLUPK-UHFFFAOYSA-N 0 0 340.329 3.859 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000110885233 1037721910 /nfs/dbraw/zinc/72/19/10/1037721910.db2.gz GMBAVOAUGSEVOB-ZNMIVQPWSA-N 0 0 348.855 3.500 10 0 EHAERN Cc1ncsc1CN(C)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179481368 1037809040 /nfs/dbraw/zinc/80/90/40/1037809040.db2.gz DHJWPIQXUYVCDG-UHFFFAOYSA-N 0 0 327.413 3.506 10 0 EHAERN Cc1ccc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)c(F)c1 ZINC000116997250 1037846694 /nfs/dbraw/zinc/84/66/94/1037846694.db2.gz MDKFMPRPASHPSB-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117586626 1037853975 /nfs/dbraw/zinc/85/39/75/1037853975.db2.gz RFYNLDVWVGNDSF-ZUOKHONESA-N 0 0 347.418 3.992 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000117588620 1037855246 /nfs/dbraw/zinc/85/52/46/1037855246.db2.gz MNZAECJQWZOYEP-XIKOKIGWSA-N 0 0 336.391 3.538 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000117595052 1037855414 /nfs/dbraw/zinc/85/54/14/1037855414.db2.gz RAOSGRJSFBREDL-SGTLLEGYSA-N 0 0 336.391 3.538 10 0 EHAERN COCCCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117626932 1037857308 /nfs/dbraw/zinc/85/73/08/1037857308.db2.gz SBVGZGQEVVYJRE-KUHUBIRLSA-N 0 0 341.407 3.605 10 0 EHAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CC=C(c3cccs3)CC2)c1C ZINC000117894702 1037862858 /nfs/dbraw/zinc/86/28/58/1037862858.db2.gz VGUILYMTJJOKAL-UHFFFAOYSA-N 0 0 342.464 3.868 10 0 EHAERN C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118065152 1037865914 /nfs/dbraw/zinc/86/59/14/1037865914.db2.gz BFNXQIZMONOIKQ-AWEZNQCLSA-N 0 0 342.464 3.884 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](c1ccccc1)C(C)C)CCC2 ZINC000332680981 1037950326 /nfs/dbraw/zinc/95/03/26/1037950326.db2.gz HNLJJVVCJXNBHH-MSOLQXFVSA-N 0 0 340.471 3.765 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H](CC(C)C)C1)CCC2 ZINC000332708209 1037950896 /nfs/dbraw/zinc/95/08/96/1037950896.db2.gz JLNKOQMYWWMWIN-DLBZAZTESA-N 0 0 332.492 3.537 10 0 EHAERN CC1(C)CCC(=CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000124609291 1038211898 /nfs/dbraw/zinc/21/18/98/1038211898.db2.gz USZIDAOCWZVWSH-AEFFLSMTSA-N 0 0 344.499 3.515 10 0 EHAERN O=C(c1ccc(-c2ncon2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000107088372 1038288756 /nfs/dbraw/zinc/28/87/56/1038288756.db2.gz PECIIUNCIKMTHY-UHFFFAOYSA-N 0 0 331.375 3.666 10 0 EHAERN O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000112862977 1039028373 /nfs/dbraw/zinc/02/83/73/1039028373.db2.gz DSPXATHLNFLLIA-GOSISDBHSA-N 0 0 348.406 3.803 10 0 EHAERN COc1ccc(Nc2nc(C(=O)N3CC[C@@H]4CCC[C@H]43)cs2)cc1 ZINC000330231726 1039412820 /nfs/dbraw/zinc/41/28/20/1039412820.db2.gz FCPMRHOVYACFRA-BLLLJJGKSA-N 0 0 343.452 3.910 10 0 EHAERN CC1(C)CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000408416386 1039746101 /nfs/dbraw/zinc/74/61/01/1039746101.db2.gz PKJLXNSMENNZPR-UHFFFAOYSA-N 0 0 343.471 3.967 10 0 EHAERN CCCC1CCC(NC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CC1 ZINC000171353558 1040159168 /nfs/dbraw/zinc/15/91/68/1040159168.db2.gz WAEKTOMYGWZESS-CGZBRXJRSA-N 0 0 348.491 3.701 10 0 EHAERN Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCC2(O)CCCCCC2)cc1 ZINC000332882485 1040172964 /nfs/dbraw/zinc/17/29/64/1040172964.db2.gz YOKJONYNNUMFGD-RTBURBONSA-N 0 0 345.483 3.664 10 0 EHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H]1CCC(=O)C[C@H]1C)CCC2 ZINC000245628022 1040197846 /nfs/dbraw/zinc/19/78/46/1040197846.db2.gz SKQSGQATNISHRH-OSAQELSMSA-N 0 0 334.485 3.547 10 0 EHAERN O=C(NCc1cc2ccccc2s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332961029 1040418752 /nfs/dbraw/zinc/41/87/52/1040418752.db2.gz KXHWXYHZWDFHPN-KXBFYZLASA-N 0 0 344.480 3.738 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H](C(C)C)C3)C2)no1 ZINC000171451003 1040441746 /nfs/dbraw/zinc/44/17/46/1040441746.db2.gz OHMCKQNCFNOPOQ-YESZJQIVSA-N 0 0 348.491 3.557 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000408441164 1040670977 /nfs/dbraw/zinc/67/09/77/1040670977.db2.gz CEHCETOXEPWWDH-UHFFFAOYSA-N 0 0 343.471 3.967 10 0 EHAERN CN(C)C(=O)c1cc(NC(=O)N2CCCCC(C)(C)C2)ccc1F ZINC000408444114 1040791948 /nfs/dbraw/zinc/79/19/48/1040791948.db2.gz UCEMEBQLWPESRA-UHFFFAOYSA-N 0 0 335.423 3.572 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000333003464 1040881075 /nfs/dbraw/zinc/88/10/75/1040881075.db2.gz DGIZWOQPFFDVAL-VXGBXAGGSA-N 0 0 331.441 3.760 10 0 EHAERN C[C@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)[C@H]1CO ZINC000408138037 1041776248 /nfs/dbraw/zinc/77/62/48/1041776248.db2.gz LDMAQVLJCUXJRH-ZANVPECISA-N 0 0 341.238 3.708 10 0 EHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCCO1 ZINC000043907161 1041781038 /nfs/dbraw/zinc/78/10/38/1041781038.db2.gz MDFUMVAWTQTTFQ-UKRRQHHQSA-N 0 0 346.427 3.807 10 0 EHAERN Cc1cnn([C@H]2CCCN(c3nc(-c4cccc(Cl)c4)no3)C2)c1 ZINC000301393124 1041814555 /nfs/dbraw/zinc/81/45/55/1041814555.db2.gz IXHZKNQYQHZARV-HNNXBMFYSA-N 0 0 343.818 3.736 10 0 EHAERN C[C@H](NC(=O)c1ncoc1[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000408172107 1042105183 /nfs/dbraw/zinc/10/51/83/1042105183.db2.gz RVBOTIPYZQECOY-UCLAKFIYSA-N 0 0 344.455 3.861 10 0 EHAERN O=C(CCOCc1ccccc1)N1CC=C(c2cccs2)CC1 ZINC000117720751 1042448903 /nfs/dbraw/zinc/44/89/03/1042448903.db2.gz GQFXYRWGEVFYQF-UHFFFAOYSA-N 0 0 327.449 3.971 10 0 EHAERN Cc1nc(-c2ccccn2)nc(N2CCC3(CCOCC3)[C@H]2C)c1C ZINC000408200107 1042472972 /nfs/dbraw/zinc/47/29/72/1042472972.db2.gz ZNQWHEFQDFFOJN-MRXNPFEDSA-N 0 0 338.455 3.551 10 0 EHAERN CC1(C)[C@@H]2CN(C(=O)Nc3nc(-c4ccccc4Cl)ns3)C[C@@H]21 ZINC000184368435 1042487679 /nfs/dbraw/zinc/48/76/79/1042487679.db2.gz AAHOITMMTFTWBY-PHIMTYICSA-N 0 0 348.859 3.978 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408221275 1042700918 /nfs/dbraw/zinc/70/09/18/1042700918.db2.gz FPOLUFKJLZKZLK-ZWOKBUDYSA-N 0 0 330.472 3.701 10 0 EHAERN COc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c(F)c1 ZINC000162481351 1042733508 /nfs/dbraw/zinc/73/35/08/1042733508.db2.gz IUAPVHVRZXGSGX-KZULUSFZSA-N 0 0 340.402 3.701 10 0 EHAERN Cc1nnc([C@@H](N[C@@H]2CCCc3nc(C)sc32)c2ccccc2)[nH]1 ZINC000162596307 1042741497 /nfs/dbraw/zinc/74/14/97/1042741497.db2.gz BTZYTVNISGYNQN-CVEARBPZSA-N 0 0 339.468 3.635 10 0 EHAERN COc1ccc2c(c1)CCC[C@H]2N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162613987 1042742703 /nfs/dbraw/zinc/74/27/03/1042742703.db2.gz ISOUKLQYVLLMDM-WOJBJXKFSA-N 0 0 348.450 3.878 10 0 EHAERN COc1ccc(-c2cnc(CCC(=O)N3CC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000330291981 1042836969 /nfs/dbraw/zinc/83/69/69/1042836969.db2.gz DBAKDOVQNGTHBB-WMLDXEAASA-N 0 0 340.423 3.684 10 0 EHAERN C[C@@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1cccc(F)c1 ZINC000162686789 1043184974 /nfs/dbraw/zinc/18/49/74/1043184974.db2.gz HTJCAVSTSTXALG-HNNXBMFYSA-N 0 0 343.446 3.534 10 0 EHAERN CC[C@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000162691594 1043669743 /nfs/dbraw/zinc/66/97/43/1043669743.db2.gz ISQKMVGZQFUQJV-GOSISDBHSA-N 0 0 339.483 3.785 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000162718753 1043771812 /nfs/dbraw/zinc/77/18/12/1043771812.db2.gz WRVPUAGMGLUUGL-QPJJXVBHSA-N 0 0 343.858 3.568 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000123818449 1043850975 /nfs/dbraw/zinc/85/09/75/1043850975.db2.gz HAISATGITUASLQ-OWLYRPNTSA-N 0 0 328.456 3.703 10 0 EHAERN O=C(NCc1cccc(O)c1)N1CC=C(c2ccccc2F)CC1 ZINC000163302190 1043936824 /nfs/dbraw/zinc/93/68/24/1043936824.db2.gz ZGRFMFKXRDSUNN-UHFFFAOYSA-N 0 0 326.371 3.530 10 0 EHAERN CCOc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1C ZINC000268898632 1128724782 /nfs/dbraw/zinc/72/47/82/1128724782.db2.gz KZMGOOHDYMIUQC-DNVCBOLYSA-N 0 0 332.444 3.553 10 0 EHAERN O=C(N[C@H]1CCOC2(CCCCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000269196829 1128740906 /nfs/dbraw/zinc/74/09/06/1128740906.db2.gz GSLYXDGCMDMPPJ-RDJZCZTQSA-N 0 0 344.455 3.691 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(C(F)(F)F)o1 ZINC000282317319 1128901158 /nfs/dbraw/zinc/90/11/58/1128901158.db2.gz YJPHIDWULNVCPN-MRVWCRGKSA-N 0 0 345.361 3.763 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(C(F)(F)F)o1 ZINC000282317307 1128901244 /nfs/dbraw/zinc/90/12/44/1128901244.db2.gz YJPHIDWULNVCPN-BNOWGMLFSA-N 0 0 345.361 3.763 10 0 EHAERN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3nc(C)c(C)nc3C)nc2c1 ZINC000185333087 1131546727 /nfs/dbraw/zinc/54/67/27/1131546727.db2.gz HZKGYVWZDUSKSQ-QGZVFWFLSA-N 0 0 349.438 3.564 10 0 EHAERN CCN(C)C(=O)c1cccc(C(=O)O[C@@H](C)Cc2ccccc2)c1 ZINC000103806667 1133548976 /nfs/dbraw/zinc/54/89/76/1133548976.db2.gz AYKANMODWRNFDC-HNNXBMFYSA-N 0 0 325.408 3.567 10 0 EHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc(Cl)c(F)c1 ZINC000103573365 1134770478 /nfs/dbraw/zinc/77/04/78/1134770478.db2.gz KDJFKQRPBYLXET-UHFFFAOYSA-N 0 0 345.802 3.515 10 0 EHAERN O=C(Nc1cccc(C(F)(F)F)n1)c1coc(Br)c1 ZINC000101824173 1135400013 /nfs/dbraw/zinc/40/00/13/1135400013.db2.gz SRIAVOGWGSPMFI-UHFFFAOYSA-N 0 0 335.079 3.708 10 0 EHAERN Cc1ccc(CN(C)Cn2nc(-c3ccc(F)cc3)ccc2=O)s1 ZINC000102765881 1135646120 /nfs/dbraw/zinc/64/61/20/1135646120.db2.gz SNMVNGZEEUWHPK-UHFFFAOYSA-N 0 0 343.427 3.509 10 0 EHAERN CC[C@H](COC(=O)CN(C)C(=O)c1cccs1)c1ccccc1 ZINC000105775022 1135976267 /nfs/dbraw/zinc/97/62/67/1135976267.db2.gz KBHXHTOXYJDWNB-CQSZACIVSA-N 0 0 331.437 3.557 10 0 EHAERN CC[C@H](C)OC(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000103666468 1137468633 /nfs/dbraw/zinc/46/86/33/1137468633.db2.gz FYZCEXSBKZZEQM-ZDUSSCGKSA-N 0 0 333.457 3.707 10 0 EHAERN Cc1nc(CC(=O)OCCCc2ccc(OC(C)C)cc2)cs1 ZINC000103674692 1137470967 /nfs/dbraw/zinc/47/09/67/1137470967.db2.gz MWMFOLCVYFQLJC-UHFFFAOYSA-N 0 0 333.453 3.957 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)[C@H](C)c3cccnc3)c21 ZINC000103317581 1137875956 /nfs/dbraw/zinc/87/59/56/1137875956.db2.gz CDNZALXBPSOIGS-OAHLLOKOSA-N 0 0 336.439 3.816 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(CC)s1 ZINC000105143190 1137880326 /nfs/dbraw/zinc/88/03/26/1137880326.db2.gz DEEPBSOTFRYQBT-UHFFFAOYSA-N 0 0 331.485 3.870 10 0 EHAERN C[C@H]1CC(c2noc([C@H]3COCCN3CC(F)(F)F)n2)C[C@H](C)C1 ZINC000333707037 1138322940 /nfs/dbraw/zinc/32/29/40/1138322940.db2.gz RQZJFCOEEUDMJV-NQBHXWOUSA-N 0 0 347.381 3.545 10 0 EHAERN COc1cc(Cl)c(C)cc1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000333765765 1138330380 /nfs/dbraw/zinc/33/03/80/1138330380.db2.gz DJLCFUPGWLGFEN-GFCCVEGCSA-N 0 0 338.835 3.568 10 0 EHAERN C[C@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000334067484 1138367323 /nfs/dbraw/zinc/36/73/23/1138367323.db2.gz DUSORYLVZJRSNT-WNHJNPCNSA-N 0 0 344.503 3.692 10 0 EHAERN CCCCOc1ccccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184519344 1140106825 /nfs/dbraw/zinc/10/68/25/1140106825.db2.gz XSKKMCAOFWLQOQ-HNNXBMFYSA-N 0 0 343.431 3.743 10 0 EHAERN COc1ccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000186892970 1140227306 /nfs/dbraw/zinc/22/73/06/1140227306.db2.gz OWOGDRMVLGEEOU-INIZCTEOSA-N 0 0 331.441 3.507 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)cc2)cs1 ZINC000187001569 1140231826 /nfs/dbraw/zinc/23/18/26/1140231826.db2.gz JSXYEMQGIJDUQP-KRWDZBQOSA-N 0 0 338.436 3.615 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2cc(F)cc3c2OCOC3)cs1 ZINC000189847111 1140367481 /nfs/dbraw/zinc/36/74/81/1140367481.db2.gz DCZNYBIMDJOBAB-INIZCTEOSA-N 0 0 334.416 3.794 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(CC(C)C)cc2)C1 ZINC000190098496 1140386277 /nfs/dbraw/zinc/38/62/77/1140386277.db2.gz HDMAJSHFFUQWBM-ROUUACIJSA-N 0 0 329.444 3.539 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccnn2C(C)(C)C)cs1 ZINC000190614225 1140412160 /nfs/dbraw/zinc/41/21/60/1140412160.db2.gz JYYMKCHBAVIWRI-ZDUSSCGKSA-N 0 0 333.461 3.772 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cs1 ZINC000195233109 1140635553 /nfs/dbraw/zinc/63/55/53/1140635553.db2.gz VIPZWSRAQJWKSY-UXLLHSPISA-N 0 0 345.443 3.993 10 0 EHAERN COc1ccc([C@H]2C(=O)c3cccn3-c3ccccc3[S@]2=O)cc1 ZINC000013739851 201912756 /nfs/dbraw/zinc/91/27/56/201912756.db2.gz WQMAAXKMWKSSCM-CYFREDJKSA-N 0 0 337.400 3.531 10 0 EHAERN Nc1cc(NC(=O)c2ccc(Br)s2)ccc1Cl ZINC000019269943 202003039 /nfs/dbraw/zinc/00/30/39/202003039.db2.gz QHTUTUMEGJXDMC-UHFFFAOYSA-N 0 0 331.622 3.999 10 0 EHAERN Nc1ccc(Cl)cc1NC(=O)c1cccc(Br)c1 ZINC000019472685 202009279 /nfs/dbraw/zinc/00/92/79/202009279.db2.gz KRVYPBDABXHANO-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN N[C@@H]1c2cc(F)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000019795665 202021009 /nfs/dbraw/zinc/02/10/09/202021009.db2.gz LYEKXSSHKAJMOF-CQSZACIVSA-N 0 0 325.170 3.679 10 0 EHAERN CC(=O)N1c2ccccc2C(=O)[C@H]1N1CCC(Cc2ccccc2)CC1 ZINC000020579815 202049138 /nfs/dbraw/zinc/04/91/38/202049138.db2.gz PJAYXTPWHZLXHO-QFIPXVFZSA-N 0 0 348.446 3.517 10 0 EHAERN CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 ZINC000021289044 202063850 /nfs/dbraw/zinc/06/38/50/202063850.db2.gz SOVBDLAXFPZPCR-UHFFFAOYSA-N 0 0 330.189 3.573 10 0 EHAERN COc1ccc(Br)cc1[C@H]([NH2+]C1CCCCC1)C(=O)[O-] ZINC000037971820 202071193 /nfs/dbraw/zinc/07/11/93/202071193.db2.gz QPJKONTWOGBFKI-AWEZNQCLSA-N 0 0 342.233 3.506 10 0 EHAERN COC(=O)[C@](C)(NC1CCCCC1)c1ccc(Br)cc1 ZINC000037971950 202071989 /nfs/dbraw/zinc/07/19/89/202071989.db2.gz OAPVMPRIHXDDPH-MRXNPFEDSA-N 0 0 340.261 3.760 10 0 EHAERN Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)c1 ZINC000032530473 202226920 /nfs/dbraw/zinc/22/69/20/202226920.db2.gz NJQRRHJBWSJZLK-UHFFFAOYSA-N 0 0 334.419 3.874 10 0 EHAERN CCOC(=O)c1oc2c(c1C)-c1c(cnn1Cc1ccccc1)CC2 ZINC000032917015 202241929 /nfs/dbraw/zinc/24/19/29/202241929.db2.gz KBNFFCZMSVHUMW-UHFFFAOYSA-N 0 0 336.391 3.775 10 0 EHAERN O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCc1ccccc1 ZINC000032974328 202245178 /nfs/dbraw/zinc/24/51/78/202245178.db2.gz XTCSXKOMVVUQCW-UHFFFAOYSA-N 0 0 342.483 3.512 10 0 EHAERN CN(CCCNC(=O)C1(n2cccc2)CCCCC1)c1ccccc1 ZINC000033019370 202247607 /nfs/dbraw/zinc/24/76/07/202247607.db2.gz XTFMMMFESVTBQD-UHFFFAOYSA-N 0 0 339.483 3.790 10 0 EHAERN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CN1CCCCC1 ZINC000033339183 202258795 /nfs/dbraw/zinc/25/87/95/202258795.db2.gz WBTOBXWCPOEQED-UVTDQMKNSA-N 0 0 336.844 3.820 10 0 EHAERN COc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccccc2)cc1OC ZINC000034793715 202276864 /nfs/dbraw/zinc/27/68/64/202276864.db2.gz RGNUUGZEQOMDPC-UHFFFAOYSA-N 0 0 337.379 3.655 10 0 EHAERN O=C(COc1ccc(F)cc1F)c1ccccc1Br ZINC000034980920 202282410 /nfs/dbraw/zinc/28/24/10/202282410.db2.gz IRVLBOWIVVXDLM-UHFFFAOYSA-N 0 0 327.124 3.989 10 0 EHAERN O=C(c1cccs1)N1CCC[C@@H](OCc2cccc(F)c2F)C1 ZINC000036315288 202321575 /nfs/dbraw/zinc/32/15/75/202321575.db2.gz AQIJYEKMYDZISX-CYBMUJFWSA-N 0 0 337.391 3.848 10 0 EHAERN C[C@@H](NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1)c1ccccc1 ZINC000036615440 202327487 /nfs/dbraw/zinc/32/74/87/202327487.db2.gz YJVPOTAYFYPPTO-BDJLRTHQSA-N 0 0 346.789 3.850 10 0 EHAERN Cc1c(C(=O)Oc2ccccc2)nnn1-c1cccc(Cl)c1C ZINC000036639100 202327890 /nfs/dbraw/zinc/32/78/90/202327890.db2.gz PTLYNWKVCBTPJK-UHFFFAOYSA-N 0 0 327.771 3.757 10 0 EHAERN Cc1c(C(=O)Oc2ccccc2)nnn1-c1cc(Cl)ccc1C ZINC000036639110 202328022 /nfs/dbraw/zinc/32/80/22/202328022.db2.gz VZMOWUMLRKRHPY-UHFFFAOYSA-N 0 0 327.771 3.757 10 0 EHAERN CCc1ccc(NC(=O)c2ccc(Br)s2)cc1N ZINC000036742733 202331005 /nfs/dbraw/zinc/33/10/05/202331005.db2.gz LFGBTXITJLWRRY-UHFFFAOYSA-N 0 0 325.231 3.908 10 0 EHAERN CC(C)(C)[N@H+](CCC(=O)[O-])Cc1cc(F)ccc1Br ZINC000037597267 202348628 /nfs/dbraw/zinc/34/86/28/202348628.db2.gz AJMFWPBKPLDMEI-UHFFFAOYSA-N 0 0 332.213 3.663 10 0 EHAERN NC(=O)[C@H](Nc1ccc(Br)cc1)c1ccccc1Cl ZINC000037944289 202379500 /nfs/dbraw/zinc/37/95/00/202379500.db2.gz LONGSBZHCNYRPB-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN CC[C@H](C)N[C@@](CC)(C(=O)OC)c1ccc(Br)cc1 ZINC000038066683 202391191 /nfs/dbraw/zinc/39/11/91/202391191.db2.gz YWFLFMOEGCZBFQ-XHDPSFHLSA-N 0 0 328.250 3.616 10 0 EHAERN COc1ccc2oc(=O)c(C(=O)Oc3cccc(Cl)c3)cc2c1 ZINC000040949500 202469372 /nfs/dbraw/zinc/46/93/72/202469372.db2.gz LSZXFNOTGXQOCT-UHFFFAOYSA-N 0 0 330.723 3.674 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1C1CC1 ZINC000225621554 201035359 /nfs/dbraw/zinc/03/53/59/201035359.db2.gz GZBPBYOFRYKSJL-QRQLOZEOSA-N 0 0 343.467 3.728 10 0 EHAERN COC(=O)c1sc2c(cnc3ccc(Br)cc23)c1N ZINC000053994720 201130457 /nfs/dbraw/zinc/13/04/57/201130457.db2.gz PZIRKCMTNWOZRW-UHFFFAOYSA-N 0 0 337.198 3.581 10 0 EHAERN Cc1csc(N2CCCN(C(=O)Nc3cccc(C)c3)CC2)n1 ZINC000056517525 201137415 /nfs/dbraw/zinc/13/74/15/201137415.db2.gz FPPIGFDVBRBOBI-UHFFFAOYSA-N 0 0 330.457 3.504 10 0 EHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)c(F)c(F)c3)n2)cc1 ZINC000057342126 201139252 /nfs/dbraw/zinc/13/92/52/201139252.db2.gz HIFMLJMPRJWZLI-UHFFFAOYSA-N 0 0 331.297 3.906 10 0 EHAERN O=C(c1cnc2ccccc2n1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208040968 241065403 /nfs/dbraw/zinc/06/54/03/241065403.db2.gz RVUBABMCNWXPJK-LJQANCHMSA-N 0 0 349.459 3.950 10 0 EHAERN COc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccco1 ZINC000000419850 201469314 /nfs/dbraw/zinc/46/93/14/201469314.db2.gz SXRRRJZMTXHPKV-UHFFFAOYSA-N 0 0 347.374 3.944 10 0 EHAERN COc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)c(OC)c1 ZINC000000430395 201472416 /nfs/dbraw/zinc/47/24/16/201472416.db2.gz TUXAODKUEBVOEZ-OQLLNIDSSA-N 0 0 343.766 3.702 10 0 EHAERN O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1 ZINC000005268451 201645673 /nfs/dbraw/zinc/64/56/73/201645673.db2.gz ZTLNGKBVWNZQPO-UHFFFAOYSA-N 0 0 331.734 3.710 10 0 EHAERN S=c1[nH]c2cc(Br)ccc2n1Cc1cscn1 ZINC000070074424 203072781 /nfs/dbraw/zinc/07/27/81/203072781.db2.gz CNSOWOXTKAIOGE-UHFFFAOYSA-N 0 0 326.244 3.966 10 0 EHAERN C[C@H]1C[C@@H]1NC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000072094653 203161134 /nfs/dbraw/zinc/16/11/34/203161134.db2.gz BJIKFYPIILMSBS-FZMZJTMJSA-N 0 0 339.420 3.653 10 0 EHAERN CC(C)CCNC(=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450729 203226656 /nfs/dbraw/zinc/22/66/56/203226656.db2.gz PCIMRRHOLXIBKW-UHFFFAOYSA-N 0 0 334.419 3.971 10 0 EHAERN Cc1ccc(Oc2cc3c(cc2N)OCCO3)c(Br)c1 ZINC000020077787 212099344 /nfs/dbraw/zinc/09/93/44/212099344.db2.gz CTTROBRRYQNDAR-UHFFFAOYSA-N 0 0 336.185 3.903 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Br)cc1 ZINC000019966448 212090759 /nfs/dbraw/zinc/09/07/59/212090759.db2.gz AUOUXZHYSIWJGP-SECBINFHSA-N 0 0 345.196 3.506 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2ccnc(Cl)n2)C1 ZINC000095085123 203711825 /nfs/dbraw/zinc/71/18/25/203711825.db2.gz HNAYIRKJWLTCGR-LBPRGKRZSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nc2cccnc2[nH]1 ZINC000095086376 203712165 /nfs/dbraw/zinc/71/21/65/203712165.db2.gz AHPCCJQAMZVULB-CYBMUJFWSA-N 0 0 346.431 3.516 10 0 EHAERN Brc1ncc(I)c2ccccc12 ZINC000095830404 203768699 /nfs/dbraw/zinc/76/86/99/203768699.db2.gz CJNVZIQFIAKORR-UHFFFAOYSA-N 0 0 333.954 3.602 10 0 EHAERN CC[C@@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)C1CCC1 ZINC000102846727 204051385 /nfs/dbraw/zinc/05/13/85/204051385.db2.gz NHQFQRBBWIWHNJ-CQSZACIVSA-N 0 0 327.428 3.706 10 0 EHAERN C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Br)c(N)c1 ZINC000042828660 204150784 /nfs/dbraw/zinc/15/07/84/204150784.db2.gz FRQKPGKDKHIKNI-CMPLNLGQSA-N 0 0 325.250 3.587 10 0 EHAERN COc1ccc(Cl)c(Nc2nc[nH]c3cc(OC)cc(=O)c2-3)c1 ZINC000149972961 205572602 /nfs/dbraw/zinc/57/26/02/205572602.db2.gz AVVCQFHJHWPVCU-UHFFFAOYSA-N 0 0 331.759 3.750 10 0 EHAERN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006260270 206513508 /nfs/dbraw/zinc/51/35/08/206513508.db2.gz IBQCNTZNPYSBGV-IHWZXDPASA-N 0 0 337.460 3.709 10 0 EHAERN C[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2n1C)c1ccccc1 ZINC000008808044 211008267 /nfs/dbraw/zinc/00/82/67/211008267.db2.gz JCIJKYXGIQGPDI-KGLIPLIRSA-N 0 0 339.464 3.931 10 0 EHAERN CC(C)c1nccc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1 ZINC000328629771 258029705 /nfs/dbraw/zinc/02/97/05/258029705.db2.gz PDPWYKVSAZWOCY-MRXNPFEDSA-N 0 0 325.460 3.554 10 0 EHAERN Nc1c(N2CCCc3ccccc32)[nH]cnc1=NNc1ccccc1 ZINC000040757436 132407207 /nfs/dbraw/zinc/40/72/07/132407207.db2.gz GOMDEIPGKLKCKU-UHFFFAOYSA-N 0 0 332.411 3.582 10 0 EHAERN CC(=O)NCCCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000042161874 519656503 /nfs/dbraw/zinc/65/65/03/519656503.db2.gz SMNXPLHTEUQNEV-OAHLLOKOSA-N 0 0 326.440 3.714 10 0 EHAERN Cc1c(I)c(-c2ccccc2)nn1CC1CC1 ZINC000409443652 563962154 /nfs/dbraw/zinc/96/21/54/563962154.db2.gz QUYXDPIEYVGPJC-UHFFFAOYSA-N 0 0 338.192 3.873 10 0 EHAERN CCOc1c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Cl)cc1OC ZINC000010475223 563648389 /nfs/dbraw/zinc/64/83/89/563648389.db2.gz KLHPFPLJTIXNTE-UHFFFAOYSA-N 0 0 349.814 3.735 10 0 EHAERN Cc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2n1-c1cccc(C)c1 ZINC000000216308 563988670 /nfs/dbraw/zinc/98/86/70/563988670.db2.gz GVMBLWJAOCARIF-SFHVURJKSA-N 0 0 349.434 3.551 10 0 EHAERN CSc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1 ZINC000005057544 563994099 /nfs/dbraw/zinc/99/40/99/563994099.db2.gz JUDQLRSSHAIMDZ-UHFFFAOYSA-N 0 0 348.493 3.884 10 0 EHAERN CCc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C)cc1 ZINC000015861810 564076956 /nfs/dbraw/zinc/07/69/56/564076956.db2.gz QSHWVPPKWIGDLO-UHFFFAOYSA-N 0 0 325.437 3.735 10 0 EHAERN CC(C)CC(=O)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168564 564102147 /nfs/dbraw/zinc/10/21/47/564102147.db2.gz LDJXWXAATWIVED-UHFFFAOYSA-N 0 0 329.831 3.728 10 0 EHAERN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=N\NC(N)=O ZINC000032107440 564129150 /nfs/dbraw/zinc/12/91/50/564129150.db2.gz OLVNUQADQLZYCL-BDDJOFCWSA-N 0 0 343.471 3.543 10 0 EHAERN CCOc1ccc(Cc2nc(-c3ccc4ncn(C)c4c3)no2)cc1 ZINC000065240570 568421275 /nfs/dbraw/zinc/42/12/75/568421275.db2.gz YIGBXTPQEPCSQR-UHFFFAOYSA-N 0 0 334.379 3.613 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000706399905 954948383 /nfs/dbraw/zinc/94/83/83/954948383.db2.gz IYBLIOWFLUKDOA-MWLCHTKSSA-N 0 0 346.652 3.645 10 0 EHAERN COCc1ccsc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000182186236 1032075133 /nfs/dbraw/zinc/07/51/33/1032075133.db2.gz GUDINJVFSHVALI-UHFFFAOYSA-N 0 0 348.443 3.750 10 0 EHAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000716470062 977842360 /nfs/dbraw/zinc/84/23/60/977842360.db2.gz NVYQNEAUIHPVPL-WBMYTEFPSA-N 0 0 338.245 3.529 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C(C)(C)C ZINC000182580688 1032109979 /nfs/dbraw/zinc/10/99/79/1032109979.db2.gz SLVTYMWRSIYNOJ-RYUDHWBXSA-N 0 0 346.397 3.683 10 0 EHAERN Cc1[nH]c2ccccc2c1CCNC(=O)c1cccc2ncccc21 ZINC000000413115 1016013857 /nfs/dbraw/zinc/01/38/57/1016013857.db2.gz DOLMIMXAGBVXLP-UHFFFAOYSA-N 0 0 329.403 3.997 10 0 EHAERN C[C@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C(C)(C)C1 ZINC000407963608 1016525052 /nfs/dbraw/zinc/52/50/52/1016525052.db2.gz PVINMVGFRLGSGI-LLVKDONJSA-N 0 0 337.851 3.694 10 0 EHAERN O=C(c1ccc(Cl)c2ncccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000407978599 1016664594 /nfs/dbraw/zinc/66/45/94/1016664594.db2.gz AZRACGYZAUTHMV-YJYMSZOUSA-N 0 0 344.842 3.655 10 0 EHAERN Cc1ccn(-c2ccccc2N[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000183442327 1032171807 /nfs/dbraw/zinc/17/18/07/1032171807.db2.gz BBXIKRPMTBCSRE-MRXNPFEDSA-N 0 0 344.422 3.935 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3ccc(O)cc3)CC2)n1 ZINC000183563635 1032181122 /nfs/dbraw/zinc/18/11/22/1032181122.db2.gz HNXGNMCTBWCWBC-QPJJXVBHSA-N 0 0 328.437 3.577 10 0 EHAERN O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCn2ccnc21 ZINC000080612331 1032215695 /nfs/dbraw/zinc/21/56/95/1032215695.db2.gz JFZFCJYBKLLJPS-LJQANCHMSA-N 0 0 347.418 3.869 10 0 EHAERN O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CCCn2ccnc21 ZINC000080609989 1032216303 /nfs/dbraw/zinc/21/63/03/1032216303.db2.gz PUMQFROQZNKUIK-SFHVURJKSA-N 0 0 347.418 3.869 10 0 EHAERN O=C(/C=C/c1ccccc1Cl)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000081651412 1032618100 /nfs/dbraw/zinc/61/81/00/1032618100.db2.gz USAPGSPMPXJJKF-IWAYRVGRSA-N 0 0 349.858 3.540 10 0 EHAERN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000159182485 1032673425 /nfs/dbraw/zinc/67/34/25/1032673425.db2.gz BRLVATVLBGHTHP-NEPJUHHUSA-N 0 0 337.851 3.694 10 0 EHAERN Cc1ccc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1F ZINC000182877692 1017198211 /nfs/dbraw/zinc/19/82/11/1017198211.db2.gz CFEOIQDEYQWZGU-UHFFFAOYSA-N 0 0 330.407 3.581 10 0 EHAERN C[C@@H](C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)c1cccs1 ZINC000176421010 1017369541 /nfs/dbraw/zinc/36/95/41/1017369541.db2.gz WQQLFVHLDXSYFB-ZIAGYGMSSA-N 0 0 344.484 3.533 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000333212540 1018851115 /nfs/dbraw/zinc/85/11/15/1018851115.db2.gz UFWFQQMLUDFJDD-ZIEJDFEHSA-N 0 0 345.830 3.530 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000333212538 1018851556 /nfs/dbraw/zinc/85/15/56/1018851556.db2.gz UFWFQQMLUDFJDD-UZMCECQYSA-N 0 0 345.830 3.530 10 0 EHAERN O=S(=O)(CC1CCC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000093019832 1032870792 /nfs/dbraw/zinc/87/07/92/1032870792.db2.gz XMCWQWITEPMHKP-INIZCTEOSA-N 0 0 335.469 3.543 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)c2ccccc21 ZINC000246474111 1021095395 /nfs/dbraw/zinc/09/53/95/1021095395.db2.gz FMRXNFKTINVCTE-ZMYBRWDISA-N 0 0 338.455 3.905 10 0 EHAERN CC1(C)CN(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)[C@@H]2CCC[C@H]21 ZINC000333940654 1021516531 /nfs/dbraw/zinc/51/65/31/1021516531.db2.gz OGBAQWIYRIWOLJ-IXDOHACOSA-N 0 0 341.455 3.680 10 0 EHAERN C[C@H](NC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1csnn1 ZINC000334057087 1021934081 /nfs/dbraw/zinc/93/40/81/1021934081.db2.gz VXMNDMLIARKYLT-YPUXRLJUSA-N 0 0 334.489 3.503 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c2ccccc2O1 ZINC000246605472 1022074924 /nfs/dbraw/zinc/07/49/24/1022074924.db2.gz BKVJYVIXZTWUKK-YVSFHVDLSA-N 0 0 344.455 3.546 10 0 EHAERN COc1cc(C)c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1OC ZINC000333826398 1022205539 /nfs/dbraw/zinc/20/55/39/1022205539.db2.gz KRZWLYPDHFKPQK-XGKMFUNXSA-N 0 0 344.455 3.912 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N1Cc2ccccc2CO1 ZINC000334100713 1022283716 /nfs/dbraw/zinc/28/37/16/1022283716.db2.gz WCOPSDNQINPXTB-HZPDHXFCSA-N 0 0 344.436 3.625 10 0 EHAERN Cc1cc(=O)c(-c2noc([C@]3(C)CC[C@H](C)C3(C)C)n2)c2n1CCC2 ZINC000333851672 1022294094 /nfs/dbraw/zinc/29/40/94/1022294094.db2.gz NQTGLLBXMAHNBW-YUNKPMOVSA-N 0 0 341.455 3.867 10 0 EHAERN O=C(c1cccc(Cl)c1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127816237 1022400956 /nfs/dbraw/zinc/40/09/56/1022400956.db2.gz ACRJEZHTDLIFSB-BZNIZROVSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127967638 1022402615 /nfs/dbraw/zinc/40/26/15/1022402615.db2.gz DDWOYZDNEKARAN-HWPZZCPQSA-N 0 0 346.229 3.900 10 0 EHAERN O=C(c1csc(-c2cccs2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128044830 1022408476 /nfs/dbraw/zinc/40/84/76/1022408476.db2.gz FQTOOYPTKYYPQW-SJCJKPOMSA-N 0 0 348.493 3.639 10 0 EHAERN Cc1ccccc1Oc1ccccc1CNC(=O)/C=C\c1ccncn1 ZINC000588438193 1022432783 /nfs/dbraw/zinc/43/27/83/1022432783.db2.gz SJDWUJVHJIDAQM-KHPPLWFESA-N 0 0 345.402 3.907 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)C[C@@H](C)Cc2cccc(F)c2)[nH]1 ZINC000328750862 1022480816 /nfs/dbraw/zinc/48/08/16/1022480816.db2.gz RHSVKOQBRRGNMC-GUYCJALGSA-N 0 0 344.434 3.575 10 0 EHAERN O=C([C@H]1CCC(=O)c2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000328798040 1022503222 /nfs/dbraw/zinc/50/32/22/1022503222.db2.gz FSRUDLJTSNBJLW-BBRMVZONSA-N 0 0 340.448 3.609 10 0 EHAERN CCc1ccccc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101739407 1022689406 /nfs/dbraw/zinc/68/94/06/1022689406.db2.gz ZHPRYCSGTYUWFJ-OAHLLOKOSA-N 0 0 345.487 3.654 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000588453389 1023050637 /nfs/dbraw/zinc/05/06/37/1023050637.db2.gz SEXVOSFONLBSBJ-CKXPSTMWSA-N 0 0 330.815 3.640 10 0 EHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000588454816 1023057380 /nfs/dbraw/zinc/05/73/80/1023057380.db2.gz UEEOSUAIJAHESE-SNGWPZLWSA-N 0 0 347.418 3.951 10 0 EHAERN Cc1ccc(Cl)cc1CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000190545616 1023297254 /nfs/dbraw/zinc/29/72/54/1023297254.db2.gz NXIZZWDZYHPDEZ-OAHLLOKOSA-N 0 0 332.835 3.808 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)no1 ZINC000246640632 1023785118 /nfs/dbraw/zinc/78/51/18/1023785118.db2.gz NRLKUQZKLNJUFR-YJNKXOJESA-N 0 0 334.464 3.864 10 0 EHAERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000133431918 1023984458 /nfs/dbraw/zinc/98/44/58/1023984458.db2.gz KFWFMGHPDXDIOF-KRWDZBQOSA-N 0 0 343.471 3.565 10 0 EHAERN C[C@H]1C[C@H](c2noc(-c3ccc(N4CCCC4)nn3)n2)C[C@@H](C)C1 ZINC000329706236 1024109244 /nfs/dbraw/zinc/10/92/44/1024109244.db2.gz JUYBLJSLBQIXAH-WDNDVIMCSA-N 0 0 327.432 3.667 10 0 EHAERN O=C(Nc1ncn(C2CCCCC2)n1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000182675488 1024120674 /nfs/dbraw/zinc/12/06/74/1024120674.db2.gz KGWZNIJZPKHYDX-KBPBESRZSA-N 0 0 346.381 3.804 10 0 EHAERN Cc1nn(C)c2ncc(-c3nc(C4C[C@@H](C)C[C@H](C)C4)no3)cc12 ZINC000329747468 1024173435 /nfs/dbraw/zinc/17/34/35/1024173435.db2.gz ZKULTEWQWPHXRQ-QWRGUYRKSA-N 0 0 325.416 3.866 10 0 EHAERN Cc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1N1C(=O)CNC1=O ZINC000330007502 1024286454 /nfs/dbraw/zinc/28/64/54/1024286454.db2.gz DPYJUQVTRMONEY-DOMZBBRYSA-N 0 0 329.444 3.882 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128811731 1024317803 /nfs/dbraw/zinc/31/78/03/1024317803.db2.gz KCBIJZWYJVKUMY-DOTOQJQBSA-N 0 0 346.519 3.599 10 0 EHAERN Cc1cn2nc(N[C@@H]3CC4(CCCC4)Oc4ccccc43)sc2n1 ZINC000330122014 1024327001 /nfs/dbraw/zinc/32/70/01/1024327001.db2.gz BTVNMZVTWIHEFC-CQSZACIVSA-N 0 0 340.452 3.770 10 0 EHAERN CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000330219002 1024358876 /nfs/dbraw/zinc/35/88/76/1024358876.db2.gz PDPWRSNZTJLXHE-BRWVUGGUSA-N 0 0 349.475 3.663 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000104997397 1024871582 /nfs/dbraw/zinc/87/15/82/1024871582.db2.gz ZAXQCMQRJXLHRL-UHFFFAOYSA-N 0 0 340.471 3.943 10 0 EHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000330360607 1025154970 /nfs/dbraw/zinc/15/49/70/1025154970.db2.gz XIZXGXVEUSCMGR-QLFBSQMISA-N 0 0 349.475 3.555 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(C(C)=O)cc3)C2)cc1 ZINC000121945728 1026054330 /nfs/dbraw/zinc/05/43/30/1026054330.db2.gz BRCYGXPWGMSMPM-KUHUBIRLSA-N 0 0 337.419 3.916 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(OC)c3)C2)cc1 ZINC000121977987 1026067043 /nfs/dbraw/zinc/06/70/43/1026067043.db2.gz QNMIQWZOMGMPMH-PBHICJAKSA-N 0 0 325.408 3.722 10 0 EHAERN Cc1cc(NC(=O)c2ccccc2Cc2ccccc2)ccc1C(N)=O ZINC000103409518 1026098141 /nfs/dbraw/zinc/09/81/41/1026098141.db2.gz VXAKJDWEMGPXDQ-UHFFFAOYSA-N 0 0 344.414 3.937 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)Cc1ccccc1F ZINC000103862300 1026131860 /nfs/dbraw/zinc/13/18/60/1026131860.db2.gz OEBULMLOMSZGMS-OAHLLOKOSA-N 0 0 344.430 3.649 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(-c2ccccc2)no1 ZINC000104459599 1026257544 /nfs/dbraw/zinc/25/75/44/1026257544.db2.gz RANRSUGGWLBSOZ-UHFFFAOYSA-N 0 0 336.391 3.665 10 0 EHAERN CC[C@H](CC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)C(C)C ZINC000104381451 1026259715 /nfs/dbraw/zinc/25/97/15/1026259715.db2.gz QWGQSCZCHFQEBD-IAGOWNOFSA-N 0 0 332.488 3.710 10 0 EHAERN Cc1cccc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)oc21 ZINC000282002224 1026650905 /nfs/dbraw/zinc/65/09/05/1026650905.db2.gz KFUSRRJJKZXHRX-BRWVUGGUSA-N 0 0 327.424 3.897 10 0 EHAERN Cc1nc(Cl)cc(N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)n1 ZINC000301732602 1026918622 /nfs/dbraw/zinc/91/86/22/1026918622.db2.gz YQKJOVUMBFNSOO-CQSZACIVSA-N 0 0 344.806 3.693 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Oc1ccc2c(c1)NC(=O)CC2 ZINC000588538276 1026936039 /nfs/dbraw/zinc/93/60/39/1026936039.db2.gz MNLCTGNHXNGIPB-BENRWUELSA-N 0 0 325.339 3.719 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC=C(c2cccs2)CC1 ZINC000123049134 1026941781 /nfs/dbraw/zinc/94/17/81/1026941781.db2.gz AZTCUKRFEPSKCS-UAGQMJEPSA-N 0 0 344.480 3.504 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(Cl)ccc3F)CCO2)o1 ZINC000153088630 1027017204 /nfs/dbraw/zinc/01/72/04/1027017204.db2.gz WJHQTNSQCVSRPF-OAHLLOKOSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1nc(N2CCC[C@@H](c3nccs3)C2)ccc1Br ZINC000302096955 1027052464 /nfs/dbraw/zinc/05/24/64/1027052464.db2.gz SNCHCZXXDOOILV-LLVKDONJSA-N 0 0 338.274 3.993 10 0 EHAERN CCCc1csc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 ZINC000127143577 1027279045 /nfs/dbraw/zinc/27/90/45/1027279045.db2.gz FVTOTSYGNHHBCO-ZDUSSCGKSA-N 0 0 347.465 3.537 10 0 EHAERN C[C@H](c1nc(C2CC2)no1)N1CCC(Nc2ccccc2F)CC1 ZINC000129065682 1027519120 /nfs/dbraw/zinc/51/91/20/1027519120.db2.gz BPLPGFIORSUYGQ-GFCCVEGCSA-N 0 0 330.407 3.724 10 0 EHAERN Cc1cc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)n(-c2ccccn2)n1 ZINC000248419946 1027623526 /nfs/dbraw/zinc/62/35/26/1027623526.db2.gz LKJGLBZGKRCXSQ-NUEKZKHPSA-N 0 0 339.443 3.618 10 0 EHAERN C[C@@H](NC(=O)N[C@H]1COc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000106549468 1027712208 /nfs/dbraw/zinc/71/22/08/1027712208.db2.gz YZQXBLPVCZARQV-YPMHNXCESA-N 0 0 345.468 3.935 10 0 EHAERN O=C(c1cccc(OCC(F)F)n1)N1CC=C(c2ccccc2)CC1 ZINC000131061810 1027734365 /nfs/dbraw/zinc/73/43/65/1027734365.db2.gz LWZGLUGSZDXLFU-UHFFFAOYSA-N 0 0 344.361 3.655 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1c(Cl)cccc1Cl ZINC000246117319 1027761371 /nfs/dbraw/zinc/76/13/71/1027761371.db2.gz NZAGOMYFYKHDDV-CUOATXAZSA-N 0 0 326.223 3.681 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1csc(-c2ccco2)n1 ZINC000131794313 1027821396 /nfs/dbraw/zinc/82/13/96/1027821396.db2.gz XFQWBGNDQKPQQU-MEDUHNTESA-N 0 0 340.404 3.584 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(N(C)C)c(C)c3)CCO2)o1 ZINC000153403470 1027836741 /nfs/dbraw/zinc/83/67/41/1027836741.db2.gz YUTJYDOANBLSFJ-GOSISDBHSA-N 0 0 343.427 3.568 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000132414908 1027924395 /nfs/dbraw/zinc/92/43/95/1027924395.db2.gz QVCKMAVZILCYPU-JSGCOSHPSA-N 0 0 333.823 3.545 10 0 EHAERN O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1)c1ccco1 ZINC000246208390 1027996520 /nfs/dbraw/zinc/99/65/20/1027996520.db2.gz MHWHZWRWABORRY-ZWKOTPCHSA-N 0 0 337.423 3.758 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(Cl)c(F)c3)CCO2)o1 ZINC000153503035 1028031479 /nfs/dbraw/zinc/03/14/79/1028031479.db2.gz UDJRUUVYJRYGQL-OAHLLOKOSA-N 0 0 338.766 3.986 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1Cl ZINC000134597569 1028131320 /nfs/dbraw/zinc/13/13/20/1028131320.db2.gz JRXHSOHIRWYUJV-DZGCQCFKSA-N 0 0 345.830 3.659 10 0 EHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC3(CCCC3)C2)n1 ZINC000135247662 1028177426 /nfs/dbraw/zinc/17/74/26/1028177426.db2.gz RAIXMDIWLOGRGH-UHFFFAOYSA-N 0 0 325.403 3.883 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(c3ccnn3C)CC2)cc1Cl ZINC000120915000 1028194022 /nfs/dbraw/zinc/19/40/22/1028194022.db2.gz NDDJNUCNZZEEHC-UHFFFAOYSA-N 0 0 332.835 3.793 10 0 EHAERN O=C(Nc1ccc(Cl)cc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000136906734 1028279972 /nfs/dbraw/zinc/27/99/72/1028279972.db2.gz PVFBIVRVGGAOJN-ZDUSSCGKSA-N 0 0 335.766 3.559 10 0 EHAERN Cc1[nH]nc(C(C)C)c1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000137344389 1028309993 /nfs/dbraw/zinc/30/99/93/1028309993.db2.gz PXDLCOQOFMDFIU-UHFFFAOYSA-N 0 0 327.403 3.910 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000248427117 1028351918 /nfs/dbraw/zinc/35/19/18/1028351918.db2.gz OOQKCRBJKWZUCS-BVGQSLNGSA-N 0 0 341.455 3.621 10 0 EHAERN O=C(Nc1nnc(C(F)F)s1)N1CC=C(c2ccccc2)CC1 ZINC000067585869 1028373363 /nfs/dbraw/zinc/37/33/63/1028373363.db2.gz WZFPAWJDDLYUMQ-UHFFFAOYSA-N 0 0 336.367 3.797 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000068289967 1028392427 /nfs/dbraw/zinc/39/24/27/1028392427.db2.gz ZTTGMJFRJRAVDT-ZDUSSCGKSA-N 0 0 336.347 3.560 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000068291384 1028393487 /nfs/dbraw/zinc/39/34/87/1028393487.db2.gz LATNRMIBDLPEKB-AUUYWEPGSA-N 0 0 341.382 3.769 10 0 EHAERN Cc1c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1-c1ccccn1 ZINC000246405909 1028477549 /nfs/dbraw/zinc/47/75/49/1028477549.db2.gz HXRYQHGVVKBQGR-QXAKKESOSA-N 0 0 336.435 3.600 10 0 EHAERN CC(C)N(CC1CCC1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000194017862 1028485878 /nfs/dbraw/zinc/48/58/78/1028485878.db2.gz UVSHMIASCOXTPL-UHFFFAOYSA-N 0 0 335.517 3.937 10 0 EHAERN Cc1ccc(Cn2nccc2NC(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000194266674 1028505209 /nfs/dbraw/zinc/50/52/09/1028505209.db2.gz FPAUDUIIMKQAAD-SFHVURJKSA-N 0 0 346.434 3.693 10 0 EHAERN CNC(=O)c1cccc(NCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000072911181 1028527222 /nfs/dbraw/zinc/52/72/22/1028527222.db2.gz UMOVJCNGVGGGHR-UHFFFAOYSA-N 0 0 341.798 3.967 10 0 EHAERN C[C@@H](OC(=O)[C@@H]1CCCc2cccnc21)c1nc2ccccc2n1C ZINC000194532468 1028541417 /nfs/dbraw/zinc/54/14/17/1028541417.db2.gz RJDZLDCELCATLW-UKRRQHHQSA-N 0 0 335.407 3.693 10 0 EHAERN CC(C)N(C)c1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247923439 1028591951 /nfs/dbraw/zinc/59/19/51/1028591951.db2.gz BJZGGNPHIIJMRH-JXFKEZNVSA-N 0 0 345.487 3.690 10 0 EHAERN Cc1ccc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000195351488 1028636660 /nfs/dbraw/zinc/63/66/60/1028636660.db2.gz OLPQJDXHIRANKZ-OAHLLOKOSA-N 0 0 329.469 3.578 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CSCCS2)o1 ZINC000246543698 1028654715 /nfs/dbraw/zinc/65/47/15/1028654715.db2.gz JYJKEZDWLUYDOL-CORIIIEPSA-N 0 0 325.499 3.736 10 0 EHAERN COc1ccc(F)c(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000246540268 1028656059 /nfs/dbraw/zinc/65/60/59/1028656059.db2.gz CVXAESHSKXMXFC-IIDMSEBBSA-N 0 0 326.371 3.542 10 0 EHAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000246739036 1028684907 /nfs/dbraw/zinc/68/49/07/1028684907.db2.gz OEWRIRVDBHZEEF-DYVFJYSZSA-N 0 0 348.830 3.642 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Cl)c2cccnc12 ZINC000247289010 1028770197 /nfs/dbraw/zinc/77/01/97/1028770197.db2.gz HJADCCJKUJMYJT-MAZHCROVSA-N 0 0 330.815 3.576 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(F)c1 ZINC000247393831 1028785750 /nfs/dbraw/zinc/78/57/50/1028785750.db2.gz LTJNBUQGONTVKK-LXZKKBNFSA-N 0 0 336.407 3.692 10 0 EHAERN O=C(OC[C@@H]1CC=CCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000247435456 1028786637 /nfs/dbraw/zinc/78/66/37/1028786637.db2.gz VQPLQWMZPIOEGH-OAHLLOKOSA-N 0 0 345.414 3.577 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@H](C)c3nccs3)C2)cc1 ZINC000247443451 1028791359 /nfs/dbraw/zinc/79/13/59/1028791359.db2.gz YAVIZSBXFBHWSA-GZBFAFLISA-N 0 0 345.468 3.800 10 0 EHAERN Cc1oc(-c2cccs2)nc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247587322 1028804299 /nfs/dbraw/zinc/80/42/99/1028804299.db2.gz MHEVGASKEVIKMW-CJNGLKHVSA-N 0 0 342.468 3.991 10 0 EHAERN CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OC ZINC000247618895 1028804456 /nfs/dbraw/zinc/80/44/56/1028804456.db2.gz SVWCTDKFKRGAAR-BBWFWOEESA-N 0 0 347.455 3.562 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(C2SCCS2)cc1 ZINC000247683150 1028810456 /nfs/dbraw/zinc/81/04/56/1028810456.db2.gz ZUYCEALWCCOZAJ-XHSDSOJGSA-N 0 0 349.521 3.853 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000251885029 1029165006 /nfs/dbraw/zinc/16/50/06/1029165006.db2.gz PYBMGEJWVGFCED-DJIMGWMZSA-N 0 0 326.444 3.535 10 0 EHAERN O=C(Nc1ccccc1SC(F)F)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251912498 1029166907 /nfs/dbraw/zinc/16/69/07/1029166907.db2.gz RUIMLRGKGGTYPN-MVWJERBFSA-N 0 0 328.384 3.690 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(c3nnc(C(F)(F)F)s3)C2)cc1 ZINC000154760897 1029307051 /nfs/dbraw/zinc/30/70/51/1029307051.db2.gz OKMBHTJFDGRXHS-ONGXEEELSA-N 0 0 343.374 3.948 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000155649178 1029610810 /nfs/dbraw/zinc/61/08/10/1029610810.db2.gz WPBQKOZZSPDUMT-HUUCEWRRSA-N 0 0 333.501 3.549 10 0 EHAERN COc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1F ZINC000090202272 1030089864 /nfs/dbraw/zinc/08/98/64/1030089864.db2.gz RPVLTPYBJDIJAD-INIZCTEOSA-N 0 0 347.777 3.750 10 0 EHAERN COc1cccc(C(=O)N2CCC(c3nc(C)cs3)CC2)c1F ZINC000090512120 1030134100 /nfs/dbraw/zinc/13/41/00/1030134100.db2.gz VHVNLQVPEZPLPX-UHFFFAOYSA-N 0 0 334.416 3.619 10 0 EHAERN CC(C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000246160759 1030376538 /nfs/dbraw/zinc/37/65/38/1030376538.db2.gz QWUWOBUOIGEIBH-KEYYUXOJSA-N 0 0 346.496 3.821 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000248722267 1030448493 /nfs/dbraw/zinc/44/84/93/1030448493.db2.gz CKFFYLADMSAHDN-SOLBZPMBSA-N 0 0 332.444 3.782 10 0 EHAERN C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000246379670 1030467330 /nfs/dbraw/zinc/46/73/30/1030467330.db2.gz HEYUMRBQZSAEHS-QILLFSRXSA-N 0 0 332.488 3.848 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccccc2N(C)C)c2ccccc2)[nH]1 ZINC000093944369 1030698249 /nfs/dbraw/zinc/69/82/49/1030698249.db2.gz GLJNFCFHQPQQAJ-LIRRHRJNSA-N 0 0 335.455 3.619 10 0 EHAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000248540573 1030834953 /nfs/dbraw/zinc/83/49/53/1030834953.db2.gz BHSLIQJGOLPUQG-FHLIZLRMSA-N 0 0 337.423 3.698 10 0 EHAERN COc1ccc2c(c1NC(=O)/C=C\c1ccnc(Cl)c1)CCC2 ZINC000588583456 1030836159 /nfs/dbraw/zinc/83/61/59/1030836159.db2.gz QNPKQLFCKHOYTP-YVMONPNESA-N 0 0 328.799 3.884 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000172636430 1030952035 /nfs/dbraw/zinc/95/20/35/1030952035.db2.gz KXOKVZCAHKQDHH-TZIWHRDSSA-N 0 0 342.483 3.685 10 0 EHAERN CCN(C(=O)c1cccc(N2CCNC2=O)c1C)[C@@H]1CCCC[C@H]1C ZINC000173456850 1031090114 /nfs/dbraw/zinc/09/01/14/1031090114.db2.gz QBFPHZOPCPZFHL-RHSMWYFYSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1ccc(CC(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000174069648 1031160902 /nfs/dbraw/zinc/16/09/02/1031160902.db2.gz IRTHJPGSAAINDK-UHFFFAOYSA-N 0 0 332.444 3.841 10 0 EHAERN Cc1ccc([C@H]2CSCCN2C(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000116521645 1031214073 /nfs/dbraw/zinc/21/40/73/1031214073.db2.gz NXFQQKCCBHUDNG-MAUKXSAKSA-N 0 0 341.480 3.951 10 0 EHAERN O=C(c1ncncc1Cl)N1CC2(CCCC2)c2c1cccc2F ZINC000175988844 1031404076 /nfs/dbraw/zinc/40/40/76/1031404076.db2.gz MQDSPPPZBHIQJA-UHFFFAOYSA-N 0 0 331.778 3.741 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)c(F)c1 ZINC000176349868 1031429470 /nfs/dbraw/zinc/42/94/70/1031429470.db2.gz ZYEFMAKJIYGSJA-AWEZNQCLSA-N 0 0 346.406 3.506 10 0 EHAERN C[C@@H]1C[C@H](Cc2nc([C@H]3CN4CCC[C@H]4CO3)no2)CC(C)(C)C1 ZINC000329641988 1031567375 /nfs/dbraw/zinc/56/73/75/1031567375.db2.gz CUIAGBFGDOCNSV-LVQVYYBASA-N 0 0 333.476 3.610 10 0 EHAERN C[C@@H]1CN(C(=O)c2csc(-c3ccsc3)n2)c2cccnc2O1 ZINC000158760340 1031613037 /nfs/dbraw/zinc/61/30/37/1031613037.db2.gz IRKLNELBYUDVAN-SNVBAGLBSA-N 0 0 343.433 3.694 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cc(F)c(Cl)cc1Cl ZINC000178301779 1031652029 /nfs/dbraw/zinc/65/20/29/1031652029.db2.gz YNKVFGXKOVFOON-GJZGRUSLSA-N 0 0 340.181 3.521 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CC[C@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000158838376 1031673752 /nfs/dbraw/zinc/67/37/52/1031673752.db2.gz XKTMRSGJSPDZMT-YWZLYKJASA-N 0 0 348.450 3.903 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179241143 1031760813 /nfs/dbraw/zinc/76/08/13/1031760813.db2.gz XNAQHFSMXZHJLD-ISVAXAHUSA-N 0 0 343.326 3.770 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000117603065 1031778640 /nfs/dbraw/zinc/77/86/40/1031778640.db2.gz SJJFVORIMUNRNL-BFUOFWGJSA-N 0 0 347.374 3.772 10 0 EHAERN Cc1csc([C@H](C)NC(=O)Nc2c[nH]nc2-c2ccccc2)n1 ZINC000179484922 1031779621 /nfs/dbraw/zinc/77/96/21/1031779621.db2.gz ICVWCAOBWDMIRW-NSHDSACASA-N 0 0 327.413 3.724 10 0 EHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC(Oc2ccccc2)CC1 ZINC000117629041 1031782248 /nfs/dbraw/zinc/78/22/48/1031782248.db2.gz NXBXNXYKLVGNDI-UHFFFAOYSA-N 0 0 347.418 3.556 10 0 EHAERN Cc1c(NC(=O)N2CCC[C@H](c3nccs3)C2)cccc1N(C)C ZINC000180132888 1031808201 /nfs/dbraw/zinc/80/82/01/1031808201.db2.gz ZDPPFWKTMAHYGZ-AWEZNQCLSA-N 0 0 344.484 3.929 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3ncc(-c4ccccc4F)o3)CCO2)o1 ZINC000159119089 1031880364 /nfs/dbraw/zinc/88/03/64/1031880364.db2.gz HFGBXIBWJWKGJC-GOSISDBHSA-N 0 0 342.370 3.956 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3c(C4CC4)nc4sccn34)CCO2)o1 ZINC000180642959 1031893764 /nfs/dbraw/zinc/89/37/64/1031893764.db2.gz IWNCAYVWRZBPJH-INIZCTEOSA-N 0 0 343.452 3.748 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nc1 ZINC000180848943 1031913156 /nfs/dbraw/zinc/91/31/56/1031913156.db2.gz WQBPEEQAPPRUEH-UHFFFAOYSA-N 0 0 348.805 3.866 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@@H]1c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000329738336 1032037649 /nfs/dbraw/zinc/03/76/49/1032037649.db2.gz UFWFQQMLUDFJDD-ATVPRXPUSA-N 0 0 345.830 3.530 10 0 EHAERN Brc1cncc(NCc2ncc(-c3ccccc3)cn2)c1 ZINC000185994534 1035560298 /nfs/dbraw/zinc/56/02/98/1035560298.db2.gz YXMVKOSBCIYWJP-UHFFFAOYSA-N 0 0 341.212 3.913 10 0 EHAERN C/C(=C\C(C)(C)C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000186472199 1035638852 /nfs/dbraw/zinc/63/88/52/1035638852.db2.gz XEDDRJDMJQDZIF-NKSUMMKUSA-N 0 0 331.391 3.715 10 0 EHAERN COc1ccc(OC)c([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186553225 1035656823 /nfs/dbraw/zinc/65/68/23/1035656823.db2.gz CAQFGCGGCVDMQZ-LBPRGKRZSA-N 0 0 341.411 3.854 10 0 EHAERN CC(=O)Nc1cccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186539382 1035657102 /nfs/dbraw/zinc/65/71/02/1035657102.db2.gz TWOJYFVUZROWRL-GFCCVEGCSA-N 0 0 338.411 3.795 10 0 EHAERN CCO[C@H]1C[C@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186550786 1035657354 /nfs/dbraw/zinc/65/73/54/1035657354.db2.gz GXPZTLWFQZGKGD-IRXDYDNUSA-N 0 0 329.444 3.814 10 0 EHAERN C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186573297 1035660115 /nfs/dbraw/zinc/66/01/15/1035660115.db2.gz VLRXXPLZNHNRCT-WFASDCNBSA-N 0 0 330.432 3.706 10 0 EHAERN COCC(=O)N1CCc2c1cccc2N[C@H](C)CSC(C)(C)C ZINC000186593332 1035663052 /nfs/dbraw/zinc/66/30/52/1035663052.db2.gz HQEFLINMUCNUHT-CYBMUJFWSA-N 0 0 336.501 3.554 10 0 EHAERN Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186627957 1035675492 /nfs/dbraw/zinc/67/54/92/1035675492.db2.gz OWIQECLCSWBREW-CYBMUJFWSA-N 0 0 338.411 3.855 10 0 EHAERN C[C@@H]1CC(NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](C)C1 ZINC000186646958 1035678254 /nfs/dbraw/zinc/67/82/54/1035678254.db2.gz PKOLPXYQEPTKFO-RYUDHWBXSA-N 0 0 330.432 3.610 10 0 EHAERN C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186673227 1035685706 /nfs/dbraw/zinc/68/57/06/1035685706.db2.gz CDFMFVFMPXOPRJ-QWHCGFSZSA-N 0 0 330.432 3.706 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000186955101 1035750600 /nfs/dbraw/zinc/75/06/00/1035750600.db2.gz CAKKPUHSUUAEKP-HOTGVXAUSA-N 0 0 332.350 3.578 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4F)CC3)CCO2)o1 ZINC000188547495 1035947636 /nfs/dbraw/zinc/94/76/36/1035947636.db2.gz WEVCNNHVCFQPSO-SFHVURJKSA-N 0 0 343.398 3.650 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC[C@H]1CCCn2ccnc21 ZINC000332681202 1035978760 /nfs/dbraw/zinc/97/87/60/1035978760.db2.gz JAKXIUUXPVZYMV-VQHPVUNQSA-N 0 0 332.492 3.521 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000188841877 1035990802 /nfs/dbraw/zinc/99/08/02/1035990802.db2.gz SQCBOOOLENANDE-KXBFYZLASA-N 0 0 339.435 3.697 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000332711334 1036008150 /nfs/dbraw/zinc/00/81/50/1036008150.db2.gz MHELAWQKZGSUAH-RXABAKJHSA-N 0 0 343.471 3.570 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cnn(C(C)(C)C)c2)cs1 ZINC000189044729 1036009294 /nfs/dbraw/zinc/00/92/94/1036009294.db2.gz BGSGYAZQHMVWHL-AWEZNQCLSA-N 0 0 333.461 3.772 10 0 EHAERN CCc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1F ZINC000189221001 1036034647 /nfs/dbraw/zinc/03/46/47/1036034647.db2.gz HAOOCZYIDWLAMJ-UHFFFAOYSA-N 0 0 348.447 3.953 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000189585500 1036093307 /nfs/dbraw/zinc/09/33/07/1036093307.db2.gz ZDSSPYBLYVJLMM-CQSZACIVSA-N 0 0 341.440 3.707 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc(O)cc2Cl)cs1 ZINC000190017953 1036183438 /nfs/dbraw/zinc/18/34/38/1036183438.db2.gz ZTQBXPXEPKJCCT-HNNXBMFYSA-N 0 0 336.844 3.717 10 0 EHAERN C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190263990 1036213183 /nfs/dbraw/zinc/21/31/83/1036213183.db2.gz ABQMGQQKGICAKA-KGLIPLIRSA-N 0 0 346.377 3.533 10 0 EHAERN CC(C)OCCCC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190284056 1036215521 /nfs/dbraw/zinc/21/55/21/1036215521.db2.gz FITNWKSQFIETLB-AWEZNQCLSA-N 0 0 325.399 3.876 10 0 EHAERN Cc1ccc(CCCC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190415283 1036237104 /nfs/dbraw/zinc/23/71/04/1036237104.db2.gz BBVFTEPGIFJNDU-UHFFFAOYSA-N 0 0 343.496 3.877 10 0 EHAERN CS[C@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190421957 1036238358 /nfs/dbraw/zinc/23/83/58/1036238358.db2.gz OSNHUHBMTMDMGU-HNNXBMFYSA-N 0 0 347.509 3.650 10 0 EHAERN CC[C@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1nccs1 ZINC000190803193 1036301903 /nfs/dbraw/zinc/30/19/03/1036301903.db2.gz KNGDNYCLCUKAFU-KBPBESRZSA-N 0 0 331.441 3.726 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N[C@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000332857445 1036322835 /nfs/dbraw/zinc/32/28/35/1036322835.db2.gz CIPLOVRITGGHDX-AHXJXLJNSA-N 0 0 334.435 3.706 10 0 EHAERN O=C([C@H]1CC1(Cl)Cl)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191207170 1036347522 /nfs/dbraw/zinc/34/75/22/1036347522.db2.gz ZBLGEWUWTOGQPA-JOYOIKCWSA-N 0 0 334.193 3.865 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191798654 1036430106 /nfs/dbraw/zinc/43/01/06/1036430106.db2.gz RQDPGDAUZFZEOI-XTZNXHDOSA-N 0 0 341.794 3.972 10 0 EHAERN Cc1csc2c1ncnc2N1CCC(Nc2nccs2)CC1 ZINC000192802656 1036554971 /nfs/dbraw/zinc/55/49/71/1036554971.db2.gz MHELCLQGPGADAU-UHFFFAOYSA-N 0 0 331.470 3.537 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1ccccc1C)C2 ZINC000193403830 1036596417 /nfs/dbraw/zinc/59/64/17/1036596417.db2.gz ZMSJJQDTNFPTQU-ZHACJKMWSA-N 0 0 334.419 3.552 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H]1CCO)c1ccc(C(C)(C)C)cc1 ZINC000249529026 1036622058 /nfs/dbraw/zinc/62/20/58/1036622058.db2.gz ZPABNKABLATYIO-QILLFSRXSA-N 0 0 332.488 3.895 10 0 EHAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)CC3CCCCC3)C2)n1 ZINC000173819758 1036746434 /nfs/dbraw/zinc/74/64/34/1036746434.db2.gz OUGFXSFHBXXZKK-OAHLLOKOSA-N 0 0 342.530 3.541 10 0 EHAERN Cc1csc([C@H]2CCCN(S(=O)(=O)CC3CCCCC3)C2)n1 ZINC000173819769 1036747509 /nfs/dbraw/zinc/74/75/09/1036747509.db2.gz OUGFXSFHBXXZKK-HNNXBMFYSA-N 0 0 342.530 3.541 10 0 EHAERN CCSc1ccc([C@H](C)NC(=O)NCc2cccc(OC)n2)cc1 ZINC000103613098 1036955325 /nfs/dbraw/zinc/95/53/25/1036955325.db2.gz GYWDOSYIRRVWJZ-ZDUSSCGKSA-N 0 0 345.468 3.763 10 0 EHAERN COc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000105211519 1037160313 /nfs/dbraw/zinc/16/03/13/1037160313.db2.gz QHYNYRIQPAMFLS-SFHVURJKSA-N 0 0 343.402 3.570 10 0 EHAERN Cc1occc1-c1nnc(SCc2nc(-c3ccoc3)no2)o1 ZINC000105572191 1037213680 /nfs/dbraw/zinc/21/36/80/1037213680.db2.gz CDAUINKMAAIPLZ-UHFFFAOYSA-N 0 0 330.325 3.573 10 0 EHAERN Cc1cc(NC(=O)[C@@H](C)SCc2cc(F)cc3cccnc32)on1 ZINC000105629004 1037225131 /nfs/dbraw/zinc/22/51/31/1037225131.db2.gz WBEARMMTCSZOAK-LLVKDONJSA-N 0 0 345.399 3.931 10 0 EHAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1ccc(Cl)cc1Cl ZINC000105661993 1037235983 /nfs/dbraw/zinc/23/59/83/1037235983.db2.gz RSBHSYMAUKYCHJ-FQEVSTJZSA-N 0 0 336.284 3.547 10 0 EHAERN C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1nccs1 ZINC000105999049 1037292814 /nfs/dbraw/zinc/29/28/14/1037292814.db2.gz DEVCGOAXWWGOTK-SNVBAGLBSA-N 0 0 347.440 3.826 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1sccc1OC(F)F ZINC000104461640 1037298188 /nfs/dbraw/zinc/29/81/88/1037298188.db2.gz HFUNZIZYQCJSIC-UHFFFAOYSA-N 0 0 341.379 3.673 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)C3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000247055803 1037535015 /nfs/dbraw/zinc/53/50/15/1037535015.db2.gz VEPWCPVGRSIFKA-DEYYWGMASA-N 0 0 341.455 3.738 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000101525328 1037569938 /nfs/dbraw/zinc/56/99/38/1037569938.db2.gz FSTDZYZDYBOKLZ-UHFFFAOYSA-N 0 0 349.325 3.518 10 0 EHAERN CC(C)N(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CCCC1 ZINC000103980209 1037592508 /nfs/dbraw/zinc/59/25/08/1037592508.db2.gz WFKXTVITXRRKFI-MRXNPFEDSA-N 0 0 332.469 3.669 10 0 EHAERN CC[C@H](CC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1)C(C)C ZINC000104325885 1037595626 /nfs/dbraw/zinc/59/56/26/1037595626.db2.gz ZGHHVYLJOFWENN-CQSZACIVSA-N 0 0 327.428 3.756 10 0 EHAERN Cc1ccc(NC(=O)N[C@@H](c2ccco2)c2ccccc2)cc1C(N)=O ZINC000105033783 1037597798 /nfs/dbraw/zinc/59/77/98/1037597798.db2.gz LBAVHJLWALILSR-GOSISDBHSA-N 0 0 349.390 3.598 10 0 EHAERN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](c2nccs2)C1 ZINC000109053342 1037659604 /nfs/dbraw/zinc/65/96/04/1037659604.db2.gz LBONJMMOBJJLSV-LLVKDONJSA-N 0 0 341.358 3.577 10 0 EHAERN O=C1C[C@@H](c2nc(C3CCCCC3)no2)CN1CCc1ccccc1 ZINC000109526954 1037669935 /nfs/dbraw/zinc/66/99/35/1037669935.db2.gz OGELGINOKLYPLB-QGZVFWFLSA-N 0 0 339.439 3.676 10 0 EHAERN O=C(NCC1(c2ccccc2)CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114820947 1037809729 /nfs/dbraw/zinc/80/97/29/1037809729.db2.gz LALRUCNHJBFNQC-OAHLLOKOSA-N 0 0 341.480 3.764 10 0 EHAERN COCCOc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(C)c1 ZINC000117620515 1037858506 /nfs/dbraw/zinc/85/85/06/1037858506.db2.gz LXQXIVQUHNHVPU-LIRRHRJNSA-N 0 0 341.407 3.523 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)CCC2 ZINC000332688491 1037951324 /nfs/dbraw/zinc/95/13/24/1037951324.db2.gz PXLSJEDKRCOHCI-GOEBONIOSA-N 0 0 344.434 3.611 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000332868243 1037959509 /nfs/dbraw/zinc/95/95/09/1037959509.db2.gz GEFYGRXMCXIPDL-XJKSGUPXSA-N 0 0 339.443 3.507 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000123530969 1038030816 /nfs/dbraw/zinc/03/08/16/1038030816.db2.gz VHZKOBOJDFDUMN-HOCLYGCPSA-N 0 0 325.412 3.809 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N[C@@]3(C)CCOC3)cc2s1 ZINC000408407328 1039377794 /nfs/dbraw/zinc/37/77/94/1039377794.db2.gz WVJSBCYLMLCHRP-AWEZNQCLSA-N 0 0 325.821 3.559 10 0 EHAERN COc1ccc(Nc2nc(C(=O)N3CC[C@H]4CCC[C@@H]43)cs2)cc1 ZINC000330231729 1039427235 /nfs/dbraw/zinc/42/72/35/1039427235.db2.gz FCPMRHOVYACFRA-WBMJQRKESA-N 0 0 343.452 3.910 10 0 EHAERN Cc1cc2occ(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c2cc1C ZINC000151149021 1039753374 /nfs/dbraw/zinc/75/33/74/1039753374.db2.gz XBVZLXCUQIBANB-LAUBAEHRSA-N 0 0 341.451 3.746 10 0 EHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc2nc[nH]c2cc1F ZINC000332786731 1040110600 /nfs/dbraw/zinc/11/06/00/1040110600.db2.gz AKOVRLGNZFHZBP-IUCAKERBSA-N 0 0 329.297 3.553 10 0 EHAERN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151527626 1040200242 /nfs/dbraw/zinc/20/02/42/1040200242.db2.gz GRTWXTYAWJQOQC-SCLBCKFNSA-N 0 0 333.815 3.853 10 0 EHAERN CC1(C)[C@H](NC(=O)NC2(c3ccccc3)CCCC2)[C@H]2CCO[C@@H]21 ZINC000120052458 1040357133 /nfs/dbraw/zinc/35/71/33/1040357133.db2.gz PCJOMNAQMZIVBN-ZACQAIPSSA-N 0 0 328.456 3.569 10 0 EHAERN CC1(C)[C@H](NC(=O)NC2(c3ccccc3)CCCC2)[C@@H]2CCO[C@@H]21 ZINC000120052733 1040357179 /nfs/dbraw/zinc/35/71/79/1040357179.db2.gz PCJOMNAQMZIVBN-BBWFWOEESA-N 0 0 328.456 3.569 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1ccccc1Cl ZINC000330243513 1040686978 /nfs/dbraw/zinc/68/69/78/1040686978.db2.gz JURBTBWDXNHZLW-HIFRSBDPSA-N 0 0 344.846 3.662 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000246337342 1040767810 /nfs/dbraw/zinc/76/78/10/1040767810.db2.gz HQSHLKWVKXUDAG-VVLHAWIVSA-N 0 0 332.444 3.782 10 0 EHAERN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000333035461 1041082912 /nfs/dbraw/zinc/08/29/12/1041082912.db2.gz BHLIHAAVEDMHGY-XJKSGUPXSA-N 0 0 344.846 3.662 10 0 EHAERN CO[C@H]1CCC[C@@H]1OC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000109417905 1041114268 /nfs/dbraw/zinc/11/42/68/1041114268.db2.gz INIIXXPYXZWUHK-GJZGRUSLSA-N 0 0 335.400 3.602 10 0 EHAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330248217 1042345524 /nfs/dbraw/zinc/34/55/24/1042345524.db2.gz MCLOFFFKHIRKGQ-WMLDXEAASA-N 0 0 338.411 3.984 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000161569663 1042672063 /nfs/dbraw/zinc/67/20/63/1042672063.db2.gz UQRXWEBVSBAXNX-LBPRGKRZSA-N 0 0 329.469 3.898 10 0 EHAERN CCc1nc(C)c([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)s1 ZINC000162477333 1042731590 /nfs/dbraw/zinc/73/15/90/1042731590.db2.gz NQTVEQBMOSFBJW-LRDDRELGSA-N 0 0 341.484 3.881 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(F)cc2F)c2ccccc2)[nH]1 ZINC000162507676 1042735122 /nfs/dbraw/zinc/73/51/22/1042735122.db2.gz ICWGDIIOLCTWOH-GTNSWQLSSA-N 0 0 328.366 3.832 10 0 EHAERN Cc1ccc(CCCC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000162545635 1042737878 /nfs/dbraw/zinc/73/78/78/1042737878.db2.gz BXBNJPZUSOZJFY-UHFFFAOYSA-N 0 0 339.483 3.533 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408254193 1042870770 /nfs/dbraw/zinc/87/07/70/1042870770.db2.gz BRBFBWQYOSMRRS-ZUZCIYMTSA-N 0 0 344.242 3.547 10 0 EHAERN C[C@H](NC(=O)N1C[C@H](C)OC(C)(C)C1)c1cc2cccc(F)c2o1 ZINC000408297324 1042990767 /nfs/dbraw/zinc/99/07/67/1042990767.db2.gz HROXICVOUUGWDS-RYUDHWBXSA-N 0 0 334.391 3.842 10 0 EHAERN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000000412918 1042991036 /nfs/dbraw/zinc/99/10/36/1042991036.db2.gz DTZFTWNLUYPWHQ-UHFFFAOYSA-N 0 0 347.434 3.519 10 0 EHAERN O=C(c1cc(-c2ccccc2)ns1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408350573 1043599317 /nfs/dbraw/zinc/59/93/17/1043599317.db2.gz SKVHNLJWARXNBU-HNAYVOBHSA-N 0 0 342.464 3.577 10 0 EHAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000247520774 1043759803 /nfs/dbraw/zinc/75/98/03/1043759803.db2.gz WLDUBHMIXYJGRC-FGTMMUONSA-N 0 0 344.503 3.781 10 0 EHAERN CC1(C)Cc2cc(NC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc2O1 ZINC000268944976 1128729427 /nfs/dbraw/zinc/72/94/27/1128729427.db2.gz AZWDNMTZYZVKGB-MGPUTAFESA-N 0 0 344.455 3.559 10 0 EHAERN Cc1ccc(/C=C\CC(=O)N2CCCCC[C@@H]2c2ncon2)cc1 ZINC000588433491 1129450654 /nfs/dbraw/zinc/45/06/54/1129450654.db2.gz MZBNPHMYLSHBQN-KEGWNNHHSA-N 0 0 325.412 3.925 10 0 EHAERN CC(C)(C)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000103700280 1131770031 /nfs/dbraw/zinc/77/00/31/1131770031.db2.gz HIMWJRQDUPWMCF-UHFFFAOYSA-N 0 0 335.469 3.604 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000189179084 1132443138 /nfs/dbraw/zinc/44/31/38/1132443138.db2.gz FMEWTUSAOXZJEI-RYUDHWBXSA-N 0 0 331.441 3.760 10 0 EHAERN CCOC1CC(CCNC(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000191328284 1132461825 /nfs/dbraw/zinc/46/18/25/1132461825.db2.gz QDXCSQSILCXOAD-PVCYVWKFSA-N 0 0 334.435 3.708 10 0 EHAERN COCCc1ccc(OC(=O)C[C@H](C)c2ccccc2OC)cc1 ZINC000103329529 1132824242 /nfs/dbraw/zinc/82/42/42/1132824242.db2.gz JMEBLUPYFZDVEE-HNNXBMFYSA-N 0 0 328.408 3.983 10 0 EHAERN COc1ccc2c(CC(=O)OCc3cccnc3Cl)coc2c1 ZINC000103812537 1133556835 /nfs/dbraw/zinc/55/68/35/1133556835.db2.gz GGJRUOIVPOWVKO-UHFFFAOYSA-N 0 0 331.755 3.776 10 0 EHAERN CCS[C@@H](C(=O)OCCCc1cnc2c(C)c(C)nn2c1)C(C)C ZINC000103819191 1133600800 /nfs/dbraw/zinc/60/08/00/1133600800.db2.gz DAVYNBYXUCVLCD-MRXNPFEDSA-N 0 0 349.500 3.600 10 0 EHAERN O=C(CSc1ccncc1)OCc1ncc(-c2ccccc2)o1 ZINC000102727186 1135637678 /nfs/dbraw/zinc/63/76/78/1135637678.db2.gz OUGJHEKTINYLJE-UHFFFAOYSA-N 0 0 326.377 3.572 10 0 EHAERN Cc1cccc(CCCOC(=O)Cc2coc(-c3cccs3)n2)n1 ZINC000105940385 1136007733 /nfs/dbraw/zinc/00/77/33/1136007733.db2.gz WPYWLBJRAWXOLP-UHFFFAOYSA-N 0 0 342.420 3.825 10 0 EHAERN O=C(c1ccccc1Cc1ccccc1)N1CCC(n2ccnc2)CC1 ZINC000101863601 1137871917 /nfs/dbraw/zinc/87/19/17/1137871917.db2.gz OQUJUDHETUYZBN-UHFFFAOYSA-N 0 0 345.446 3.951 10 0 EHAERN CCCCC[C@H](NC(=O)NCCc1nc(C)no1)c1ccccc1 ZINC000102782808 1137874028 /nfs/dbraw/zinc/87/40/28/1137874028.db2.gz UUALEOISEKNATA-INIZCTEOSA-N 0 0 330.432 3.541 10 0 EHAERN Cc1ccccc1C(=O)NC1CCN(C(=O)CCCC(C)(C)C)CC1 ZINC000103379731 1137876100 /nfs/dbraw/zinc/87/61/00/1137876100.db2.gz NBZSYAYEQDBNFU-UHFFFAOYSA-N 0 0 344.499 3.932 10 0 EHAERN CC(C)(C)NC(=O)C[S@@](=O)Cc1ccccc1Oc1ccccc1 ZINC000105669353 1137881601 /nfs/dbraw/zinc/88/16/01/1137881601.db2.gz GYEXXKSLGRXQEV-XMMPIXPASA-N 0 0 345.464 3.642 10 0 EHAERN CC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(-c2ccccc2)cc1 ZINC000105677150 1137881710 /nfs/dbraw/zinc/88/17/10/1137881710.db2.gz VGAPCRUSGZACKC-HSZRJFAPSA-N 0 0 329.465 3.517 10 0 EHAERN CC(C)(C)NC(=O)C[S@](=O)Cc1ccc(-c2ccccc2)cc1 ZINC000105677152 1137881746 /nfs/dbraw/zinc/88/17/46/1137881746.db2.gz VGAPCRUSGZACKC-QHCPKHFHSA-N 0 0 329.465 3.517 10 0 EHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)cc1 ZINC000333364534 1138281103 /nfs/dbraw/zinc/28/11/03/1138281103.db2.gz VBIFSSLHJDTZFR-UWWQBHOKSA-N 0 0 341.455 3.717 10 0 EHAERN C[C@@H]1C[C@@H](c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)CC(C)(C)C1 ZINC000333726073 1138326132 /nfs/dbraw/zinc/32/61/32/1138326132.db2.gz ORTRTJYKLCWHRZ-KLHDSHLOSA-N 0 0 333.476 3.925 10 0 EHAERN C[C@H]1C[C@H](C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)CC(C)(C)C1 ZINC000333954499 1138353191 /nfs/dbraw/zinc/35/31/91/1138353191.db2.gz FKHKVSDWDPOFNX-LISAXSMJSA-N 0 0 330.472 3.880 10 0 EHAERN CC(C)(C)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000185490445 1140152782 /nfs/dbraw/zinc/15/27/82/1140152782.db2.gz RRLYMBGWKICSHF-AWEZNQCLSA-N 0 0 343.431 3.741 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(C)c(C)c2)cs1 ZINC000187034503 1140234025 /nfs/dbraw/zinc/23/40/25/1140234025.db2.gz PFGRJPSSXKWDGX-KRWDZBQOSA-N 0 0 330.453 3.811 10 0 EHAERN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2csc(C)n2)c(C)s1 ZINC000188021834 1140280022 /nfs/dbraw/zinc/28/00/22/1140280022.db2.gz QPFASXZNZRNYCM-ZDUSSCGKSA-N 0 0 342.511 3.656 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Cl)cc2Cl)C1 ZINC000189333829 1140336618 /nfs/dbraw/zinc/33/66/18/1140336618.db2.gz CQGUFKZDEAINGG-GXTWGEPZSA-N 0 0 342.226 3.647 10 0 EHAERN CCN(C(=O)CN1CCC[C@H]1c1csc(C)n1)c1ccccc1 ZINC000189790319 1140363954 /nfs/dbraw/zinc/36/39/54/1140363954.db2.gz GAXFTZMHWKTWPO-KRWDZBQOSA-N 0 0 329.469 3.642 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)cs1 ZINC000189801276 1140364705 /nfs/dbraw/zinc/36/47/05/1140364705.db2.gz XAMPOJILPOSKKX-HNNXBMFYSA-N 0 0 326.425 3.839 10 0 EHAERN CC1(C)C[C@H](NC(=O)[C@H]2CCCc3cccnc32)c2ccccc2O1 ZINC000194698574 1140619251 /nfs/dbraw/zinc/61/92/51/1140619251.db2.gz MJZXYYVZGOGZQL-IRXDYDNUSA-N 0 0 336.435 3.920 10 0 EHAERN Cc1nn(Cc2ccc(Br)cc2F)c(C)c1[C@@H](C)O ZINC000054723266 214252415 /nfs/dbraw/zinc/25/24/15/214252415.db2.gz MOHBKCIHKCQLKO-SNVBAGLBSA-N 0 0 327.197 3.503 10 0 EHAERN N=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(F)cc1 ZINC000006997674 201709397 /nfs/dbraw/zinc/70/93/97/201709397.db2.gz ADVJGWSMKHSMSN-OVQLKQKFSA-N 0 0 342.351 3.610 10 0 EHAERN CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)O2)cc1 ZINC000009584764 201783033 /nfs/dbraw/zinc/78/30/33/201783033.db2.gz ULGXLXMJZXVMTQ-SFHVURJKSA-N 0 0 344.798 3.978 10 0 EHAERN COc1ccccc1-c1cc(-c2ccccc2)c2c(N)ncnc2n1 ZINC000009694533 201785324 /nfs/dbraw/zinc/78/53/24/201785324.db2.gz QTDNIXBKWSZDDM-UHFFFAOYSA-N 0 0 328.375 3.950 10 0 EHAERN COc1cccc(-c2cnnc(NCc3cccc(SC)c3)n2)c1 ZINC000012298792 201837056 /nfs/dbraw/zinc/83/70/56/201837056.db2.gz PMZVWKDVRRFKIL-UHFFFAOYSA-N 0 0 338.436 3.881 10 0 EHAERN Clc1ncccc1NCc1cc2c(c(Br)c1)OCO2 ZINC000036982776 201850198 /nfs/dbraw/zinc/85/01/98/201850198.db2.gz WKKCOFJIAMMYFF-UHFFFAOYSA-N 0 0 341.592 3.838 10 0 EHAERN O=c1c(Cl)c(NCc2ccc(F)cc2)cnn1-c1ccccc1 ZINC000003566554 210057484 /nfs/dbraw/zinc/05/74/84/210057484.db2.gz KXXGUNADYGJVDF-UHFFFAOYSA-N 0 0 329.762 3.637 10 0 EHAERN CCOc1ccc(/C=C/C(=O)Nc2nc(C)c(C)s2)cc1OC ZINC000001918548 209805484 /nfs/dbraw/zinc/80/54/84/209805484.db2.gz XEOCVLNUVPJGRL-VQHVLOKHSA-N 0 0 332.425 3.819 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(F)cc(F)c3)CC2=O)c1 ZINC000020374031 202040832 /nfs/dbraw/zinc/04/08/32/202040832.db2.gz ZKNNDJSISHHRDQ-ZDUSSCGKSA-N 0 0 344.361 3.573 10 0 EHAERN CCOC(=O)[C@](C)(NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000037973675 202071236 /nfs/dbraw/zinc/07/12/36/202071236.db2.gz KTNVFZSSHCQIOT-GFCCVEGCSA-N 0 0 344.160 3.924 10 0 EHAERN C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000023864145 202110231 /nfs/dbraw/zinc/11/02/31/202110231.db2.gz YLYFWVORXBYSNB-VIFPVBQESA-N 0 0 331.771 3.658 10 0 EHAERN O=C(CCc1nc2ccccc2[nH]c1=O)Nc1cccc2ccccc21 ZINC000028183038 202166047 /nfs/dbraw/zinc/16/60/47/202166047.db2.gz NCMASYVYEGMUTN-UHFFFAOYSA-N 0 0 343.386 3.648 10 0 EHAERN CCC(=O)Oc1c2ccc(C)cc2c(OC(=O)CC)c(OC)c1OC ZINC000029314104 202184361 /nfs/dbraw/zinc/18/43/61/202184361.db2.gz HRRHMBYVSMZLPP-UHFFFAOYSA-N 0 0 346.379 3.796 10 0 EHAERN Cc1cccc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)c1C ZINC000032526331 202226321 /nfs/dbraw/zinc/22/63/21/202226321.db2.gz DGYVWRXISNUJKB-UHFFFAOYSA-N 0 0 334.419 3.956 10 0 EHAERN Cc1c[nH]c(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)n1 ZINC000032523734 202226628 /nfs/dbraw/zinc/22/66/28/202226628.db2.gz RBFYNKZIEJNLRT-UHFFFAOYSA-N 0 0 332.835 3.610 10 0 EHAERN COc1ccccc1C(=O)c1sc(Nc2ccccc2)nc1N ZINC000033251789 202252719 /nfs/dbraw/zinc/25/27/19/202252719.db2.gz CBRJQALCGJQKIP-UHFFFAOYSA-N 0 0 325.393 3.709 10 0 EHAERN CCOc1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1 ZINC000033321897 202257676 /nfs/dbraw/zinc/25/76/76/202257676.db2.gz YQRSIXOGGMQMLH-KTKRTIGZSA-N 0 0 332.450 3.673 10 0 EHAERN CCOC(=O)Cc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2 ZINC000033890728 202270449 /nfs/dbraw/zinc/27/04/49/202270449.db2.gz XHLZQCCCRXCUGZ-UHFFFAOYSA-N 0 0 329.783 3.959 10 0 EHAERN O=C(CSc1ccccc1)Nc1ccn(-c2ccc(F)cc2F)n1 ZINC000034909363 202279788 /nfs/dbraw/zinc/27/97/88/202279788.db2.gz ZNHSRRXMLTUGEW-UHFFFAOYSA-N 0 0 345.374 3.881 10 0 EHAERN OCc1ccc(Oc2ccccc2I)c(F)c1 ZINC000035454676 202303202 /nfs/dbraw/zinc/30/32/02/202303202.db2.gz WZHYOPRXFWRFHC-UHFFFAOYSA-N 0 0 344.123 3.715 10 0 EHAERN COC(=O)[C@H](C)CNc1c(Cl)cc(Br)cc1Cl ZINC000035758543 202309719 /nfs/dbraw/zinc/30/97/19/202309719.db2.gz KGUIQLUSMYQKIA-ZCFIWIBFSA-N 0 0 341.032 3.977 10 0 EHAERN O=C(COc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000036324706 202321378 /nfs/dbraw/zinc/32/13/78/202321378.db2.gz IRKOMAKTGFEXCK-UHFFFAOYSA-N 0 0 327.124 3.989 10 0 EHAERN COc1ccc(Cl)cc1-n1nnc(C(=O)OC2CCCCC2)c1C ZINC000036639128 202327787 /nfs/dbraw/zinc/32/77/87/202327787.db2.gz BDAPRFSPSSMONR-UHFFFAOYSA-N 0 0 349.818 3.727 10 0 EHAERN CCCCNC(=O)[C@@H](C)Nc1ccc(Br)cc1Cl ZINC000037392398 202340114 /nfs/dbraw/zinc/34/01/14/202340114.db2.gz MZQBSNZIXYJTEQ-SECBINFHSA-N 0 0 333.657 3.819 10 0 EHAERN CC(C)(C)[N@H+](CCC(=O)[O-])Cc1cc(Br)ccc1F ZINC000037597281 202347941 /nfs/dbraw/zinc/34/79/41/202347941.db2.gz GIGSSLUBBMDHLL-UHFFFAOYSA-N 0 0 332.213 3.663 10 0 EHAERN CCN(C)C(=O)c1cc2sccc2n1Cc1ccccc1OC ZINC000037588061 202347995 /nfs/dbraw/zinc/34/79/95/202347995.db2.gz SDPVJQIGXQJLCZ-UHFFFAOYSA-N 0 0 328.437 3.852 10 0 EHAERN COc1cc(C)ccc1NCc1ccc(I)o1 ZINC000037783282 202365469 /nfs/dbraw/zinc/36/54/69/202365469.db2.gz OLBOTZUHKUAPMS-UHFFFAOYSA-N 0 0 343.164 3.813 10 0 EHAERN O=C([O-])[C@@H]([NH2+]C1CCCCCC1)c1cccc(Br)c1 ZINC000037972468 202382722 /nfs/dbraw/zinc/38/27/22/202382722.db2.gz PSBNKGQNANYHPX-AWEZNQCLSA-N 0 0 326.234 3.887 10 0 EHAERN C[C@@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000073656836 202370340 /nfs/dbraw/zinc/37/03/40/202370340.db2.gz CEFZBGIKFDOJDH-OLZOCXBDSA-N 0 0 328.453 3.641 10 0 EHAERN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccnc(Cl)c1 ZINC000038008477 202385097 /nfs/dbraw/zinc/38/50/97/202385097.db2.gz SHAZRUZIZANLKB-UHFFFAOYSA-N 0 0 337.615 3.843 10 0 EHAERN CCOC(=O)[C@H](N[C@H](C)CC)c1ccc(Br)cc1F ZINC000038067962 202391246 /nfs/dbraw/zinc/39/12/46/202391246.db2.gz MHRVXMLEMBJXTQ-NOZJJQNGSA-N 0 0 332.213 3.581 10 0 EHAERN Nc1c(Nc2ccccc2F)ncnc1Nc1cc(F)ccc1F ZINC000040759310 202462751 /nfs/dbraw/zinc/46/27/51/202462751.db2.gz BCCXERVWANJZBQ-UHFFFAOYSA-N 0 0 331.301 3.963 10 0 EHAERN Cc1ccc2cccc(Oc3ncnc(Nc4ccccn4)c3N)c2n1 ZINC000040752289 202463310 /nfs/dbraw/zinc/46/33/10/202463310.db2.gz FQWYBCKCXKITFM-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN COc1ccc2nccc(NC(=O)COc3ccc(Cl)cc3)c2c1 ZINC000041058037 202471091 /nfs/dbraw/zinc/47/10/91/202471091.db2.gz OEXDYBXTUWKMLM-UHFFFAOYSA-N 0 0 342.782 3.914 10 0 EHAERN COc1ccc(C)cc1Nc1ncnc(Nc2cc(C)ccn2)c1N ZINC000040684121 202458603 /nfs/dbraw/zinc/45/86/03/202458603.db2.gz RYBYYJZIXLCKKV-UHFFFAOYSA-N 0 0 336.399 3.566 10 0 EHAERN CSc1cccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 ZINC000008275148 201056605 /nfs/dbraw/zinc/05/66/05/201056605.db2.gz RPPAIGWQDFGHSH-OAHLLOKOSA-N 0 0 344.461 3.850 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)o1 ZINC000195659350 201148725 /nfs/dbraw/zinc/14/87/25/201148725.db2.gz XRWDGYADRYVXGP-RLFYNMQTSA-N 0 0 328.412 3.821 10 0 EHAERN Clc1nc(NCC2CC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000057345933 201139550 /nfs/dbraw/zinc/13/95/50/201139550.db2.gz MXXUFNBXSQTWMH-UHFFFAOYSA-N 0 0 328.847 3.510 10 0 EHAERN C[C@@H](c1ccccc1)N1CCN(CC(=O)c2ccc(Cl)s2)CC1 ZINC000090488141 201371890 /nfs/dbraw/zinc/37/18/90/201371890.db2.gz WQKFHJGUZHDTFW-AWEZNQCLSA-N 0 0 348.899 3.963 10 0 EHAERN FC(F)(F)c1ccn2c(-c3cccc(Br)n3)cnc2n1 ZINC000028569712 201388002 /nfs/dbraw/zinc/38/80/02/201388002.db2.gz KMGQMDWTLIZLHG-UHFFFAOYSA-N 0 0 343.106 3.573 10 0 EHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000000162065 201441679 /nfs/dbraw/zinc/44/16/79/201441679.db2.gz ACAWGULOCOEAFW-WPGHFRTFSA-N 0 0 327.877 3.833 10 0 EHAERN CCCCCOc1ccc(OC(=O)c2cccc(C(=O)OC)n2)cc1 ZINC000003898298 201584043 /nfs/dbraw/zinc/58/40/43/201584043.db2.gz OQFOHEVARKNZMR-UHFFFAOYSA-N 0 0 343.379 3.656 10 0 EHAERN CCn1ccc2c(cc(C(=O)Nc3c(C)cc(C)cc3C)n2C)c1=O ZINC000065118673 202824713 /nfs/dbraw/zinc/82/47/13/202824713.db2.gz RMHRAUYGJOWLJI-UHFFFAOYSA-N 0 0 337.423 3.537 10 0 EHAERN COc1ccc(CC(=O)Nc2nc(-c3ccc(N)cc3)cs2)cc1 ZINC000020335978 212120339 /nfs/dbraw/zinc/12/03/39/212120339.db2.gz LIXBNBGNLXZWJB-UHFFFAOYSA-N 0 0 339.420 3.582 10 0 EHAERN O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3cccs3)c12 ZINC000072441149 203226120 /nfs/dbraw/zinc/22/61/20/203226120.db2.gz LNTOEVUDGGKZLQ-UHFFFAOYSA-N 0 0 334.404 3.659 10 0 EHAERN COC(=O)c1c(C)nc(C)c2c1ccn(CCC1=CCCCC1)c2=O ZINC000072452115 203227052 /nfs/dbraw/zinc/22/70/52/203227052.db2.gz QUDRLHVYHQZGIH-UHFFFAOYSA-N 0 0 340.423 3.690 10 0 EHAERN Cc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000072464987 203229125 /nfs/dbraw/zinc/22/91/25/203229125.db2.gz NATBNYXFSOQPCC-UHFFFAOYSA-N 0 0 348.809 3.820 10 0 EHAERN O=C(CNc1ccc2c(c1)CCC2)Nc1ccccc1Br ZINC000020048672 212098194 /nfs/dbraw/zinc/09/81/94/212098194.db2.gz BVHPHDIYQUOECL-UHFFFAOYSA-N 0 0 345.240 3.988 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)C(=O)NC2=O)c1cccc(Br)c1 ZINC000019966452 212090886 /nfs/dbraw/zinc/09/08/86/212090886.db2.gz UAHJCXYHJXTNDE-SECBINFHSA-N 0 0 345.196 3.506 10 0 EHAERN O=C(Nc1nc2nc(Br)ccc2s1)c1ccccc1 ZINC000089229781 203570728 /nfs/dbraw/zinc/57/07/28/203570728.db2.gz SJHOATIIBZOERW-UHFFFAOYSA-N 0 0 334.198 3.706 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](CNc2nsc3ccccc32)C1 ZINC000095083942 203711942 /nfs/dbraw/zinc/71/19/42/203711942.db2.gz BWWKEQDTCOVFRP-LBPRGKRZSA-N 0 0 333.457 3.965 10 0 EHAERN C[C@@H](OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089456 203712707 /nfs/dbraw/zinc/71/27/07/203712707.db2.gz WRPYOORPZWWDES-CABCVRRESA-N 0 0 335.448 3.734 10 0 EHAERN C[C@@H](c1ccccc1)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1=O ZINC000095936753 203769301 /nfs/dbraw/zinc/76/93/01/203769301.db2.gz KYRRSVXWTJYURJ-YWZLYKJASA-N 0 0 344.455 3.750 10 0 EHAERN CN(C(=O)CN1c2ccccc2N=C2CCC[C@H]2C1=O)c1ccccc1 ZINC000101320621 204003958 /nfs/dbraw/zinc/00/39/58/204003958.db2.gz IVWBPTKTONKOKM-MRXNPFEDSA-N 0 0 347.418 3.569 10 0 EHAERN CC(=O)N1c2ccccc2C(=O)[C@@H]1N(Cc1ccccc1)C(C)(C)C ZINC000101459413 204008003 /nfs/dbraw/zinc/00/80/03/204008003.db2.gz LZPOJASYSKWTIF-HXUWFJFHSA-N 0 0 336.435 3.863 10 0 EHAERN Cc1ccc(C(=O)N(C)Cc2csc(Br)c2)cc1N ZINC000042359938 204089120 /nfs/dbraw/zinc/08/91/20/204089120.db2.gz XDDSLBWZGZMWDZ-UHFFFAOYSA-N 0 0 339.258 3.673 10 0 EHAERN OCc1c(Cl)n(-c2ccccc2Br)nc1C1CC1 ZINC000103961863 204091195 /nfs/dbraw/zinc/09/11/95/204091195.db2.gz OUEBEZXGQOMZGT-UHFFFAOYSA-N 0 0 327.609 3.658 10 0 EHAERN CC[C@@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)CC(C)C ZINC000102847037 204052003 /nfs/dbraw/zinc/05/20/03/204052003.db2.gz RCKLOHUSHPLFTE-OAHLLOKOSA-N 0 0 329.444 3.952 10 0 EHAERN CC(=O)c1ccc(N(C)C[C@H]2CCCOC2)c(Br)c1 ZINC000104192566 204099834 /nfs/dbraw/zinc/09/98/34/204099834.db2.gz CNSNHWYAVLHFPB-GFCCVEGCSA-N 0 0 326.234 3.515 10 0 EHAERN Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1F ZINC000008083502 206446143 /nfs/dbraw/zinc/44/61/43/206446143.db2.gz FDWJYSGQMWBRSZ-OAHLLOKOSA-N 0 0 330.384 3.576 10 0 EHAERN CN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)n1)c1ccccc1 ZINC000114640414 220719378 /nfs/dbraw/zinc/71/93/78/220719378.db2.gz FSJRUSXQNWEHKS-UHFFFAOYSA-N 0 0 345.402 3.635 10 0 EHAERN Cc1c[nH]c(CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)n1 ZINC000299759732 258077160 /nfs/dbraw/zinc/07/71/60/258077160.db2.gz QYYCEVURFRPKEA-IBGZPJMESA-N 0 0 337.398 3.993 10 0 EHAERN CC[C@H](NC(=O)N[C@H]1CCCc2c(O)cccc21)c1nc(C)cs1 ZINC000188659399 522477070 /nfs/dbraw/zinc/47/70/70/522477070.db2.gz RJOYEMMSXVOZMF-GJZGRUSLSA-N 0 0 345.468 3.985 10 0 EHAERN C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@@H]1CCCO1 ZINC000027866998 525210786 /nfs/dbraw/zinc/21/07/86/525210786.db2.gz OTSNBPNXAUALQG-WFASDCNBSA-N 0 0 337.510 3.853 10 0 EHAERN COC(=O)c1cccc2c1C=C1c3[nH]c4ccccc4c3CCN1C2 ZINC000013460572 560217040 /nfs/dbraw/zinc/21/70/40/560217040.db2.gz XXMFILHAOYZMSG-UHFFFAOYSA-N 0 0 330.387 3.824 10 0 in-vitro EHAERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)CCOCc1ccccc1 ZINC000285549030 563430526 /nfs/dbraw/zinc/43/05/26/563430526.db2.gz OPYLMBNIMTYDRX-DYXWJJEUSA-N 0 0 345.483 3.526 10 0 EHAERN Cc1noc(C)c1C[C@H](C)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299745124 563967851 /nfs/dbraw/zinc/96/78/51/563967851.db2.gz WHNRTPMJSDXSDJ-XEGUGMAKSA-N 0 0 333.432 3.939 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000583621253 564018114 /nfs/dbraw/zinc/01/81/14/564018114.db2.gz FEMDOSYIZUURNH-SJORKVTESA-N 0 0 349.352 3.638 10 0 EHAERN CCCOC(=O)c1nc2ccccc2nc1Nc1ccccc1OC ZINC000045901154 564028813 /nfs/dbraw/zinc/02/88/13/564028813.db2.gz MWOZPQUGAAZRSA-UHFFFAOYSA-N 0 0 337.379 3.949 10 0 EHAERN COc1ccc(Cl)cc1-c1nc2c(-c3ccccn3)[nH]n(C)c-2n1 ZINC000048130426 564029953 /nfs/dbraw/zinc/02/99/53/564029953.db2.gz TYWBYVBYGSCPFJ-UHFFFAOYSA-N 0 0 339.786 3.687 10 0 EHAERN Cc1ccc2c(cc3c(=O)n(Cc4ccccc4Cl)nc(C)n32)c1 ZINC000006803371 564033545 /nfs/dbraw/zinc/03/35/45/564033545.db2.gz AJGYOYSBNVSQQF-UHFFFAOYSA-N 0 0 337.810 3.968 10 0 EHAERN O=C(Nc1ccc(-c2ccsc2)cc1)c1cn[nH]c1[C@@H]1CCOC1 ZINC000575603123 564087113 /nfs/dbraw/zinc/08/71/13/564087113.db2.gz AMJCKXFMICKPRQ-CYBMUJFWSA-N 0 0 339.420 3.894 10 0 EHAERN Cc1nc(CO[C@@H]2CCN(c3nc4cc(F)ccc4o3)C2)cs1 ZINC000170601913 564109339 /nfs/dbraw/zinc/10/93/39/564109339.db2.gz MVVVONORYYVSHW-CYBMUJFWSA-N 0 0 333.388 3.527 10 0 EHAERN C[C@@H]1N=C(c2ccccc2F)c2cc(Br)ccc2NC1=O ZINC000115478780 564128793 /nfs/dbraw/zinc/12/87/93/564128793.db2.gz QEFZCKUXGLDPPT-VIFPVBQESA-N 0 0 347.187 3.766 10 0 EHAERN CC1=C(C#N)[C@H](c2cccnc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545752 564129383 /nfs/dbraw/zinc/12/93/83/564129383.db2.gz LGGGSWNWWFFXKD-HNNXBMFYSA-N 0 0 327.815 3.863 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)c21 ZINC000253396239 564130526 /nfs/dbraw/zinc/13/05/26/564130526.db2.gz MIKFGQNPSNGWFX-QXAKKESOSA-N 0 0 340.467 3.561 10 0 EHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncnc2sc(C)cc21 ZINC000328619284 564136927 /nfs/dbraw/zinc/13/69/27/564136927.db2.gz FQNGYJRKGPOCSQ-KBPBESRZSA-N 0 0 343.456 3.548 10 0 EHAERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccc(OCc2ccccc2)cc1 ZINC000381730522 564177699 /nfs/dbraw/zinc/17/76/99/564177699.db2.gz UTGIXLZEJWRNSI-QZTJIDSGSA-N 0 0 332.783 3.619 10 0 EHAERN C/C=C(/CC)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000588569125 1029297753 /nfs/dbraw/zinc/29/77/53/1029297753.db2.gz TZHQOIHGWLPWPT-KMFOOYFMSA-N 0 0 326.234 3.991 10 0 EHAERN O=C([O-])c1ccc(C[NH2+][C@H]2CCCCCN(Cc3ccccc3)C2)o1 ZINC000709625895 977461852 /nfs/dbraw/zinc/46/18/52/977461852.db2.gz VHUNXUNPADDZNE-KRWDZBQOSA-N 0 0 342.439 3.512 10 0 EHAERN C[N@H+](CCCCC(=O)[O-])Cc1cc(Br)ccc1Cl ZINC000719355494 977999747 /nfs/dbraw/zinc/99/97/47/977999747.db2.gz NDRRYLNBGBLXLI-UHFFFAOYSA-N 0 0 334.641 3.789 10 0 EHAERN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)c1Br ZINC000719565619 978011470 /nfs/dbraw/zinc/01/14/70/978011470.db2.gz YKPNIWXWLDYFGQ-SMDDNHRTSA-N 0 0 340.261 3.609 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000245953363 1015541558 /nfs/dbraw/zinc/54/15/58/1015541558.db2.gz LMNSLZQBBAKQKY-MCIONIFRSA-N 0 0 344.381 3.767 10 0 EHAERN c1cc(-c2nc(CN3CCCC[C@H]3c3nc[nH]n3)cs2)cs1 ZINC000182676940 1032119160 /nfs/dbraw/zinc/11/91/60/1032119160.db2.gz QFFYAQPJUCJNEC-ZDUSSCGKSA-N 0 0 331.470 3.717 10 0 EHAERN CC1(O)CCN(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000177571637 1016377882 /nfs/dbraw/zinc/37/78/82/1016377882.db2.gz UQBDJUPQLIKPRN-KRWDZBQOSA-N 0 0 334.435 3.613 10 0 EHAERN C[C@H]1CCc2nc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)sc2C1 ZINC000407993668 1016777539 /nfs/dbraw/zinc/77/75/39/1016777539.db2.gz QUNWUMKRLMAAIF-WCQYABFASA-N 0 0 345.472 3.750 10 0 EHAERN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CC[C@@H]4CCC[C@H]43)n2)n1 ZINC000330016885 1016827714 /nfs/dbraw/zinc/82/77/14/1016827714.db2.gz QGBAEAINIXXFIM-DZGCQCFKSA-N 0 0 344.846 3.552 10 0 EHAERN O=C(/C=C\c1ccccc1Cl)Nc1cn(Cc2ccccc2)nn1 ZINC000588593937 1032161755 /nfs/dbraw/zinc/16/17/55/1032161755.db2.gz KWIVECPOXWZCKQ-KHPPLWFESA-N 0 0 338.798 3.632 10 0 EHAERN C[C@@H](CN(C)C(=O)Nc1c[nH]nc1-c1ccccc1)c1nccs1 ZINC000183971680 1032218403 /nfs/dbraw/zinc/21/84/03/1032218403.db2.gz WWRHYIZBFJIJIP-LBPRGKRZSA-N 0 0 341.440 3.801 10 0 EHAERN CC(C)C[C@@H](C)S(=O)(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000118431830 1032241807 /nfs/dbraw/zinc/24/18/07/1032241807.db2.gz IYTNSRYATCOEJV-HIFRSBDPSA-N 0 0 338.498 3.587 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000184226234 1032274293 /nfs/dbraw/zinc/27/42/93/1032274293.db2.gz ZIGCWTFXTKDCDU-GDBMZVCRSA-N 0 0 325.412 3.809 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000184226248 1032274482 /nfs/dbraw/zinc/27/44/82/1032274482.db2.gz ZIGCWTFXTKDCDU-ZBFHGGJFSA-N 0 0 325.412 3.809 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)nc1 ZINC000184241291 1032276083 /nfs/dbraw/zinc/27/60/83/1032276083.db2.gz PGPNUIKHHBWHGT-UHFFFAOYSA-N 0 0 328.391 3.638 10 0 EHAERN CC(C)(C)OCc1cc(C(=O)N2CC=C(c3ccccc3)CC2)no1 ZINC000184747737 1032305640 /nfs/dbraw/zinc/30/56/40/1032305640.db2.gz MXXPALJTYZMYQO-UHFFFAOYSA-N 0 0 340.423 3.919 10 0 EHAERN COc1cccc([C@H]2CN(CCC(Cl)(Cl)Cl)CCO2)c1 ZINC000184625414 1032310877 /nfs/dbraw/zinc/31/08/77/1032310877.db2.gz SFYODJWGAVGMFU-CYBMUJFWSA-N 0 0 338.662 3.829 10 0 EHAERN CC(=O)c1c(F)cccc1N1CCC(COc2ccccn2)CC1 ZINC000085689503 1032465963 /nfs/dbraw/zinc/46/59/63/1032465963.db2.gz PAFXTZHARWBYOU-UHFFFAOYSA-N 0 0 328.387 3.719 10 0 EHAERN C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(F)c(F)c1 ZINC000118950602 1032476205 /nfs/dbraw/zinc/47/62/05/1032476205.db2.gz SVEWVELZTPTCEG-ZWNOBZJWSA-N 0 0 331.318 3.695 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3cccc(F)c3)C2)c1 ZINC000081521203 1032573551 /nfs/dbraw/zinc/57/35/51/1032573551.db2.gz CHWAZDHPFIAUJC-CYBMUJFWSA-N 0 0 344.386 3.864 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000333212537 1018850763 /nfs/dbraw/zinc/85/07/63/1018850763.db2.gz UFWFQQMLUDFJDD-UJDVCPFMSA-N 0 0 345.830 3.530 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000588390932 1020142670 /nfs/dbraw/zinc/14/26/70/1020142670.db2.gz NJYFFBLZCDGWEI-BYPUDFOVSA-N 0 0 346.789 3.917 10 0 EHAERN Cc1ccc(Oc2ccc(NC(=O)/C=C\c3ccncn3)cn2)cc1C ZINC000588393335 1020211220 /nfs/dbraw/zinc/21/12/20/1020211220.db2.gz QAIKJGHHWNFLFM-DAXSKMNVSA-N 0 0 346.390 3.933 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N2CCC[C@@H](C)[C@@H]2CO)cc1Cl ZINC000089876612 1020317582 /nfs/dbraw/zinc/31/75/82/1020317582.db2.gz XHFHWGDSBOOVAF-OTYXRUKQSA-N 0 0 331.243 3.927 10 0 EHAERN O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120954137 1021160904 /nfs/dbraw/zinc/16/09/04/1021160904.db2.gz ONKDNNDNVNQCOP-SFHLNBCPSA-N 0 0 342.483 3.864 10 0 EHAERN O=C(/C=C\c1ccnc2ccccc12)Nc1ncn(C2CCCCC2)n1 ZINC000588431913 1021969488 /nfs/dbraw/zinc/96/94/88/1021969488.db2.gz JSZGEROQGDGWKJ-KHPPLWFESA-N 0 0 347.422 3.983 10 0 EHAERN C[C@H](NC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000333790513 1022129953 /nfs/dbraw/zinc/12/99/53/1022129953.db2.gz DFZWZQMYDWGYGY-CWRNSKLLSA-N 0 0 344.455 3.739 10 0 EHAERN CCc1cccc(Oc2ccc(NC(=O)/C=C\c3ccncn3)cn2)c1 ZINC000588437023 1022269799 /nfs/dbraw/zinc/26/97/99/1022269799.db2.gz RDJHURYZYXGYPH-VURMDHGXSA-N 0 0 346.390 3.878 10 0 EHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128164633 1022414392 /nfs/dbraw/zinc/41/43/92/1022414392.db2.gz DVUMUZXHVABHII-MLGOLLRUSA-N 0 0 328.239 3.761 10 0 EHAERN O[C@]12CCCC[C@@H]1C[N@H+](Cc1coc(-c3ccc(F)cc3)n1)CC2 ZINC000128423428 1022435721 /nfs/dbraw/zinc/43/57/21/1022435721.db2.gz OCEYHDDEKHXAOD-BEFAXECRSA-N 0 0 330.403 3.608 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@H](C)CCc2cccc(F)c2)[nH]1 ZINC000328742054 1022478392 /nfs/dbraw/zinc/47/83/92/1022478392.db2.gz NTVAVQXSRMFAOT-CXAGYDPISA-N 0 0 344.434 3.575 10 0 EHAERN COc1c(C)cc(CN(C)CC(=O)Nc2ccccc2C)cc1C ZINC000101566497 1022511806 /nfs/dbraw/zinc/51/18/06/1022511806.db2.gz UICBHVLPAFXXTJ-UHFFFAOYSA-N 0 0 326.440 3.691 10 0 EHAERN COc1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1C ZINC000101698291 1022665185 /nfs/dbraw/zinc/66/51/85/1022665185.db2.gz HVGATJXSOKSSNA-UHFFFAOYSA-N 0 0 334.297 3.926 10 0 EHAERN CC(C)Cc1ccc([C@H](NC(=O)NCc2ccnn2C)C2CC2)cc1 ZINC000101791824 1022734250 /nfs/dbraw/zinc/73/42/50/1022734250.db2.gz SLGPKWWOKSWZEP-IBGZPJMESA-N 0 0 340.471 3.569 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1cc2c(c(Cl)c1)OCO2 ZINC000588451588 1023007307 /nfs/dbraw/zinc/00/73/07/1023007307.db2.gz SZLMXARAIMRCLS-PLNGDYQASA-N 0 0 331.755 3.529 10 0 EHAERN CCOC(=O)c1c(C)csc1NC(=O)/C=C\c1ncccc1C ZINC000588451210 1023011600 /nfs/dbraw/zinc/01/16/00/1023011600.db2.gz XRGGVFMDCZYHOR-FPLPWBNLSA-N 0 0 330.409 3.589 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000588451964 1023020972 /nfs/dbraw/zinc/02/09/72/1023020972.db2.gz BCANYBBFQZTATI-HJWRWDBZSA-N 0 0 336.313 3.618 10 0 EHAERN Cc1cc(NC(=O)/C=C\c2ncccc2C)n(-c2ccc(F)cc2)n1 ZINC000588451796 1023021416 /nfs/dbraw/zinc/02/14/16/1023021416.db2.gz ADIWKFUNLJHYSX-KTKRTIGZSA-N 0 0 336.370 3.675 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(Br)cc1C ZINC000588452909 1023033820 /nfs/dbraw/zinc/03/38/20/1023033820.db2.gz YILOWQXZBQESMT-FPLPWBNLSA-N 0 0 345.240 3.791 10 0 EHAERN COc1ccc(COC(=O)/C=C\c2ncccc2C)c(OC(F)F)c1 ZINC000588453138 1023037230 /nfs/dbraw/zinc/03/72/30/1023037230.db2.gz DTODRQCGJZFBHH-FPLPWBNLSA-N 0 0 349.333 3.757 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1ccc(F)c(Cl)c1 ZINC000333890442 1023193836 /nfs/dbraw/zinc/19/38/36/1023193836.db2.gz WYXSLRWVGCCKRH-WCQYABFASA-N 0 0 340.826 3.629 10 0 EHAERN C[C@](CO)(NC(=O)/C=C\c1ccnc2ccccc12)C1CCCCC1 ZINC000588460051 1023224119 /nfs/dbraw/zinc/22/41/19/1023224119.db2.gz UYGQALBGNPWHAD-AXUYNXDZSA-N 0 0 338.451 3.696 10 0 EHAERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)/C=C\c1cncc(C)c1 ZINC000588462733 1023285611 /nfs/dbraw/zinc/28/56/11/1023285611.db2.gz ADTKJDSFSDOSAZ-ZBTAVZRMSA-N 0 0 335.451 3.531 10 0 EHAERN O=C(/C=C\c1ccc(O)cc1)NCc1cccc(-c2ccccn2)c1 ZINC000588466209 1023350975 /nfs/dbraw/zinc/35/09/75/1023350975.db2.gz STNRWNOZWHNKEK-XFXZXTDPSA-N 0 0 330.387 3.784 10 0 EHAERN C/C(=C/C(=O)Nc1cccc2c1OCC[C@@H]2O)c1ccc(F)cc1 ZINC000588479253 1023881988 /nfs/dbraw/zinc/88/19/88/1023881988.db2.gz ARXXVVHROQQQSG-CPFIRTDXSA-N 0 0 327.355 3.684 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113886101 1024028248 /nfs/dbraw/zinc/02/82/48/1024028248.db2.gz LIVPQBBTFNMIPP-QZEKMECESA-N 0 0 332.407 3.725 10 0 EHAERN CC[C@H](C)OCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000151289674 1024085537 /nfs/dbraw/zinc/08/55/37/1024085537.db2.gz HEYFULJUYSKHJB-RDJZCZTQSA-N 0 0 341.455 3.598 10 0 EHAERN Cc1ccn2c(c1)ncc(-c1nc([C@H]3C[C@H](C)C[C@H](C)C3)no1)c2=O ZINC000329748449 1024173264 /nfs/dbraw/zinc/17/32/64/1024173264.db2.gz ZZCTVRYIVIJYCT-WDNDVIMCSA-N 0 0 338.411 3.593 10 0 EHAERN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000329901476 1024242164 /nfs/dbraw/zinc/24/21/64/1024242164.db2.gz GYSWXHDCAWPMJK-LBDLBZGHSA-N 0 0 332.831 3.606 10 0 EHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccnc(C2CC2)n1 ZINC000330142582 1024334569 /nfs/dbraw/zinc/33/45/69/1024334569.db2.gz YJNPRAFZCVLRSU-KRWDZBQOSA-N 0 0 349.434 3.920 10 0 EHAERN CCC(CC)c1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)on1 ZINC000151803327 1024701176 /nfs/dbraw/zinc/70/11/76/1024701176.db2.gz PICYHHBVFRFECT-QGZVFWFLSA-N 0 0 332.400 3.693 10 0 EHAERN CCO[C@@H]1C[C@H](OC(=O)/C(C)=C\c2ccc(C)cc2)C12CCOCC2 ZINC000588492882 1024931103 /nfs/dbraw/zinc/93/11/03/1024931103.db2.gz HGSKNSHIAWRZSK-BLTVVPKDSA-N 0 0 344.451 3.916 10 0 EHAERN COC(=O)c1cnc(/C=C/c2ccc(O)c(Br)c2)s1 ZINC000102598923 1025459864 /nfs/dbraw/zinc/45/98/64/1025459864.db2.gz RTRPFKSMNACNJW-HWKANZROSA-N 0 0 340.198 3.568 10 0 EHAERN O=S(=O)(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccsc1 ZINC000329087505 1025595775 /nfs/dbraw/zinc/59/57/75/1025595775.db2.gz VGAFIKWCZHMHKC-OAHLLOKOSA-N 0 0 349.477 3.863 10 0 EHAERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccc2c(c1)CCC=C2 ZINC000329117265 1025608921 /nfs/dbraw/zinc/60/89/21/1025608921.db2.gz UJNCPRHBAVGBFR-VQTJNVASSA-N 0 0 334.419 3.691 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)C12CCCC2 ZINC000329345570 1025770337 /nfs/dbraw/zinc/77/03/37/1025770337.db2.gz BZLVXDUIPXOMMU-DLBZAZTESA-N 0 0 345.418 3.512 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCCC1(C)C ZINC000153694818 1025838254 /nfs/dbraw/zinc/83/82/54/1025838254.db2.gz MUARPLQJQDIMES-KGLIPLIRSA-N 0 0 333.480 3.504 10 0 EHAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329443123 1025857241 /nfs/dbraw/zinc/85/72/41/1025857241.db2.gz NIURXDGNMRJSLN-FUHWJXTLSA-N 0 0 342.439 3.570 10 0 EHAERN O=C(NCc1cc(F)cc(Br)c1)[C@H]1C[C@@H]1c1ccco1 ZINC000121961642 1026064159 /nfs/dbraw/zinc/06/41/59/1026064159.db2.gz MEJZKTFZCXMFHM-STQMWFEESA-N 0 0 338.176 3.601 10 0 EHAERN COc1ccc(CCC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103129175 1026066435 /nfs/dbraw/zinc/06/64/35/1026066435.db2.gz OEIHFAWMJPGXJO-UHFFFAOYSA-N 0 0 336.435 3.776 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(OC)c3)C2)cc1 ZINC000121978629 1026066743 /nfs/dbraw/zinc/06/67/43/1026066743.db2.gz QNMIQWZOMGMPMH-WMLDXEAASA-N 0 0 325.408 3.722 10 0 EHAERN CCCC[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000103316763 1026074983 /nfs/dbraw/zinc/07/49/83/1026074983.db2.gz UYELUFPRLFKGIT-MSOLQXFVSA-N 0 0 334.460 3.747 10 0 EHAERN CC(C)(C)CCCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000103860339 1026128550 /nfs/dbraw/zinc/12/85/50/1026128550.db2.gz YNUDZCKYIUPHCG-UHFFFAOYSA-N 0 0 332.492 3.566 10 0 EHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)cc1 ZINC000122028563 1026156478 /nfs/dbraw/zinc/15/64/78/1026156478.db2.gz KWSGQFBPDHHRAO-RCBQFDQVSA-N 0 0 326.396 3.550 10 0 EHAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@H](C)c2cc(C)oc2C)C1 ZINC000152562197 1026340570 /nfs/dbraw/zinc/34/05/70/1026340570.db2.gz BLXQBWMQZCGPNR-ZBFHGGJFSA-N 0 0 344.459 3.763 10 0 EHAERN COc1ccsc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122327118 1026409772 /nfs/dbraw/zinc/40/97/72/1026409772.db2.gz XRYCJCMKWYPYSA-TZMCWYRMSA-N 0 0 331.437 3.784 10 0 EHAERN CCCN(C(=O)C(F)=C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000152645032 1026482145 /nfs/dbraw/zinc/48/21/45/1026482145.db2.gz ZAQFKEOKCURAOP-UHFFFAOYSA-N 0 0 346.446 3.793 10 0 EHAERN CCCCC[C@H](C)NC(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000119947153 1026679191 /nfs/dbraw/zinc/67/91/91/1026679191.db2.gz AGDITWYETKTCNI-LRDDRELGSA-N 0 0 348.422 3.875 10 0 EHAERN CC(C)(C)C(=O)N1CCCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000301600491 1026868198 /nfs/dbraw/zinc/86/81/98/1026868198.db2.gz YXYXYJYPKAECDA-UHFFFAOYSA-N 0 0 345.874 3.973 10 0 EHAERN CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000588537648 1026931376 /nfs/dbraw/zinc/93/13/76/1026931376.db2.gz LQFDEBVJYHHORX-GZTJUZNOSA-N 0 0 344.361 3.914 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 ZINC000248706457 1027143441 /nfs/dbraw/zinc/14/34/41/1027143441.db2.gz AVZJSASESORXOY-OYYCAODRSA-N 0 0 328.456 3.882 10 0 EHAERN C[C@]1(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1(Cl)Cl ZINC000126206571 1027174441 /nfs/dbraw/zinc/17/44/41/1027174441.db2.gz YTLDYQYZRXBOCF-UKRRQHHQSA-N 0 0 327.255 3.673 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1OCC(F)F ZINC000123409306 1027294278 /nfs/dbraw/zinc/29/42/78/1027294278.db2.gz NUNOITNNQLPBMW-PIGZYNQJSA-N 0 0 333.334 3.834 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1OCC(F)F ZINC000123408928 1027295098 /nfs/dbraw/zinc/29/50/98/1027295098.db2.gz NUNOITNNQLPBMW-DIFFPNOSSA-N 0 0 333.334 3.834 10 0 EHAERN Cc1cc([C@@H]2CN(C(=O)[C@]3(C)CC3(Cl)Cl)CCO2)ccc1F ZINC000129032876 1027513040 /nfs/dbraw/zinc/51/30/40/1027513040.db2.gz XIXYPTABTOPKKP-ZFWWWQNUSA-N 0 0 346.229 3.618 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000129108321 1027523654 /nfs/dbraw/zinc/52/36/54/1027523654.db2.gz CHEZQHBPCRDUNG-CQSZACIVSA-N 0 0 340.427 3.606 10 0 EHAERN CCc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)cnn1CC(C)C ZINC000129968012 1027622459 /nfs/dbraw/zinc/62/24/59/1027622459.db2.gz CYVGULWTTCNOGF-CQSZACIVSA-N 0 0 346.500 3.578 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)c(C)c3)CC2)nc1 ZINC000131383149 1027770545 /nfs/dbraw/zinc/77/05/45/1027770545.db2.gz ANCMAGVHWXUFCG-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN CCC(CC)n1ncc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1C ZINC000153370183 1027783951 /nfs/dbraw/zinc/78/39/51/1027783951.db2.gz CGGUTYRADSWIOC-SFHVURJKSA-N 0 0 345.443 3.668 10 0 EHAERN Cc1nnc([C@H](NC(=O)C2CCC(C)(C)CC2)c2ccccc2)[nH]1 ZINC000131741523 1027816909 /nfs/dbraw/zinc/81/69/09/1027816909.db2.gz KILFCLZLNBGNSY-MRXNPFEDSA-N 0 0 326.444 3.535 10 0 EHAERN Cc1cc([C@@H](C)NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(C)o1 ZINC000112746624 1027953442 /nfs/dbraw/zinc/95/34/42/1027953442.db2.gz BQWYTRMIKCKRQS-CYBMUJFWSA-N 0 0 344.459 3.582 10 0 EHAERN CC1(C)[C@H](Nc2ccc(N3CCSCC3)cc2)[C@H]2CCCO[C@H]21 ZINC000246198185 1027957539 /nfs/dbraw/zinc/95/75/39/1027957539.db2.gz UMXASUOSSNHTTR-KZNAEPCWSA-N 0 0 332.513 3.855 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000132789794 1027964892 /nfs/dbraw/zinc/96/48/92/1027964892.db2.gz GVFZSQAEMBKHFB-UGSOOPFHSA-N 0 0 334.375 3.523 10 0 EHAERN Cc1c2cccc(C)c2oc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246207356 1027993975 /nfs/dbraw/zinc/99/39/75/1027993975.db2.gz UZKQWPJQPIUJHC-ZTFGCOKTSA-N 0 0 325.408 3.737 10 0 EHAERN CCOc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C)c1 ZINC000246209720 1028000711 /nfs/dbraw/zinc/00/07/11/1028000711.db2.gz FAEQKAMCDBHOKR-CGTJXYLNSA-N 0 0 344.455 3.863 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)CCOc3ccccc3)CCO2)o1 ZINC000133348400 1028022171 /nfs/dbraw/zinc/02/21/71/1028022171.db2.gz WMNPEGKUEJJEDF-HNAYVOBHSA-N 0 0 343.423 3.593 10 0 EHAERN CCOCCC1(CNC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CCCC1 ZINC000134144467 1028097205 /nfs/dbraw/zinc/09/72/05/1028097205.db2.gz ALRYHWKZYHJBSW-MAUKXSAKSA-N 0 0 331.456 3.654 10 0 EHAERN C[C@@H](NC(=O)N[C@H](C)c1ccncc1)c1ncc(-c2ccccc2)o1 ZINC000153534362 1028108368 /nfs/dbraw/zinc/10/83/68/1028108368.db2.gz XIYWZUSQVFFPLH-ZIAGYGMSSA-N 0 0 336.395 3.858 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C[C@@H](O)c1cccs1 ZINC000246263393 1028109373 /nfs/dbraw/zinc/10/93/73/1028109373.db2.gz AAKGEIBYVKDNDQ-YIYPIFLZSA-N 0 0 335.494 3.850 10 0 EHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246368303 1028290177 /nfs/dbraw/zinc/29/01/77/1028290177.db2.gz HBQJQCKACVEJES-GFEQUFNTSA-N 0 0 331.431 3.676 10 0 EHAERN CC1CCC(N(C)C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000078885874 1028290818 /nfs/dbraw/zinc/29/08/18/1028290818.db2.gz WHHFKVPTAKMUFN-HWOWSKLDSA-N 0 0 348.512 3.637 10 0 EHAERN Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048542 1028354388 /nfs/dbraw/zinc/35/43/88/1028354388.db2.gz JUHUCXRIHNNBEE-CYBMUJFWSA-N 0 0 325.437 3.953 10 0 EHAERN O=C(CCc1cccc(F)c1F)N1CCC[C@@H](c2nccs2)C1 ZINC000067047757 1028355088 /nfs/dbraw/zinc/35/50/88/1028355088.db2.gz VWLOIPXLDHTAMO-CYBMUJFWSA-N 0 0 336.407 3.760 10 0 EHAERN C[C@H]1CCC[C@H](OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000070674237 1028458039 /nfs/dbraw/zinc/45/80/39/1028458039.db2.gz XKPBDRYNOVOJHX-KSSFIOAISA-N 0 0 347.430 3.800 10 0 EHAERN Cn1ccc2cccc(NS(=O)(=O)/C=C\c3ccc(F)cc3)c21 ZINC000588563649 1028474767 /nfs/dbraw/zinc/47/47/67/1028474767.db2.gz UWBOPHUJAXJMDL-BENRWUELSA-N 0 0 330.384 3.730 10 0 EHAERN Cc1ccc([C@H]2CN([C@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)o1 ZINC000246430626 1028496951 /nfs/dbraw/zinc/49/69/51/1028496951.db2.gz IMAUESZRPVZDFK-VQIMIIECSA-N 0 0 342.439 3.605 10 0 EHAERN CC(C)(C)c1nc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000246449652 1028532776 /nfs/dbraw/zinc/53/27/76/1028532776.db2.gz FHINVDSUJDEKFD-CHWSQXEVSA-N 0 0 335.473 3.517 10 0 EHAERN CC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCc3cccnc32)c1 ZINC000194702265 1028541088 /nfs/dbraw/zinc/54/10/88/1028541088.db2.gz SMKYEESGACTICM-AWEZNQCLSA-N 0 0 328.799 3.996 10 0 EHAERN Fc1ccc2c(c1)[C@@H](N[C@H](c1cccs1)c1ncc[nH]1)CCO2 ZINC000195125415 1028582646 /nfs/dbraw/zinc/58/26/46/1028582646.db2.gz ISHKFIARNWNDOH-XJKSGUPXSA-N 0 0 329.400 3.813 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2C[C@H](O)c2ccccc2Cl)no1 ZINC000195373496 1028598763 /nfs/dbraw/zinc/59/87/63/1028598763.db2.gz SFVOEQAMLIJDOS-CABCVRRESA-N 0 0 335.835 3.717 10 0 EHAERN CC(C)(C)c1nc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246481447 1028608556 /nfs/dbraw/zinc/60/85/56/1028608556.db2.gz GPUPBGZQZDYRNY-HZPDHXFCSA-N 0 0 347.434 3.594 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(F)cc1C(F)(F)F ZINC000246639734 1028672625 /nfs/dbraw/zinc/67/26/25/1028672625.db2.gz KTFGLPBUFXMSFQ-YUTCNCBUSA-N 0 0 331.309 3.532 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(CCC(F)(F)F)cc1 ZINC000246786898 1028691293 /nfs/dbraw/zinc/69/12/93/1028691293.db2.gz SABQFBFOBTXHDF-ARFHVFGLSA-N 0 0 341.373 3.869 10 0 EHAERN CCCCc1nc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246933469 1028748274 /nfs/dbraw/zinc/74/82/74/1028748274.db2.gz TWULYVZWBWFPQN-DLBZAZTESA-N 0 0 347.434 3.639 10 0 EHAERN C[C@H](O)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000247237557 1028762658 /nfs/dbraw/zinc/76/26/58/1028762658.db2.gz OKRDESJBFYXKDN-TWOQFEAHSA-N 0 0 338.451 3.828 10 0 EHAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1)c1nccs1 ZINC000247342415 1028779268 /nfs/dbraw/zinc/77/92/68/1028779268.db2.gz ADSJEVNZUQNCTQ-JMSVASOKSA-N 0 0 349.431 3.515 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@H](C)c3ccccn3)C2)cc1 ZINC000247354802 1028781316 /nfs/dbraw/zinc/78/13/16/1028781316.db2.gz LTJBXCPPJTVKCW-BFYDXBDKSA-N 0 0 339.439 3.739 10 0 EHAERN Cc1nc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000247403423 1028785290 /nfs/dbraw/zinc/78/52/90/1028785290.db2.gz MFIRYDFRUYWNNN-ARFHVFGLSA-N 0 0 342.464 3.806 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Oc2ccccc2)o1 ZINC000247490304 1028795518 /nfs/dbraw/zinc/79/55/18/1028795518.db2.gz RNPHVQFPQXAMHA-XHSDSOJGSA-N 0 0 327.380 3.759 10 0 EHAERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OC(F)F ZINC000247641007 1028807032 /nfs/dbraw/zinc/80/70/32/1028807032.db2.gz VQHIFZDLSNKENH-MJBXVCDLSA-N 0 0 340.370 3.676 10 0 EHAERN Cc1cnc(C(C)(C)NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)s1 ZINC000247650010 1028807356 /nfs/dbraw/zinc/80/73/56/1028807356.db2.gz WEZODTNNUPARMO-BZUAXINKSA-N 0 0 341.480 3.572 10 0 EHAERN Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1-c1ncco1 ZINC000248141896 1028851774 /nfs/dbraw/zinc/85/17/74/1028851774.db2.gz PSDCVRZSHSRRLT-FVQBIDKESA-N 0 0 341.411 3.585 10 0 EHAERN O[C@H](CN1CCO[C@H](c2cccs2)C1)c1ccc(F)cc1Cl ZINC000248543207 1028886302 /nfs/dbraw/zinc/88/63/02/1028886302.db2.gz CWMBPSYAZFFEGR-CABCVRRESA-N 0 0 341.835 3.648 10 0 EHAERN Cc1ccc(C)c([C@@H]2CN(Cc3cn(C(C)(C)C)nn3)[C@@H](C)CO2)c1 ZINC000248830654 1028956814 /nfs/dbraw/zinc/95/68/14/1028956814.db2.gz ICAMJHUHKQGMJK-LPHOPBHVSA-N 0 0 342.487 3.612 10 0 EHAERN C[C@@H]1CN(C(=O)NCC[C@@](C)(O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000249281389 1028972793 /nfs/dbraw/zinc/97/27/93/1028972793.db2.gz PMKUEWDYZQJWPA-LKUPVBHCSA-N 0 0 338.451 3.687 10 0 EHAERN CC(=O)Nc1ccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000245698814 1029035767 /nfs/dbraw/zinc/03/57/67/1029035767.db2.gz CUDKJYQUTVVMCX-ACJLOTCBSA-N 0 0 330.453 3.669 10 0 EHAERN CN(C(=O)/C=C/c1cc2ccccc2o1)[C@@H]1CCCc2c1cnn2C ZINC000154517203 1029208080 /nfs/dbraw/zinc/20/80/80/1029208080.db2.gz GJCSUVVXJIZGQQ-SXSDINLZSA-N 0 0 335.407 3.716 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3sc(C)nc3C)C2)cc1 ZINC000078185667 1029222091 /nfs/dbraw/zinc/22/20/91/1029222091.db2.gz XPBWHGCBSSXOKX-NHYWBVRUSA-N 0 0 330.453 3.787 10 0 EHAERN Cc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000253558664 1029338893 /nfs/dbraw/zinc/33/88/93/1029338893.db2.gz LQYFZHFEJDMPPS-DFQSSKMNSA-N 0 0 342.483 3.591 10 0 EHAERN CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](COC)CC2)on1 ZINC000458446219 1029375757 /nfs/dbraw/zinc/37/57/57/1029375757.db2.gz COLWZZUTUHXCTC-CQSZACIVSA-N 0 0 337.464 3.536 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)c2cc(N)ccc2C)c(OC)c1 ZINC000262345360 1029586578 /nfs/dbraw/zinc/58/65/78/1029586578.db2.gz HPCVYACNTFFFFG-GOSISDBHSA-N 0 0 340.423 3.572 10 0 EHAERN CCc1noc(C)c1NC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155618010 1029589597 /nfs/dbraw/zinc/58/95/97/1029589597.db2.gz JKQKDEPEMZURIM-SWLSCSKDSA-N 0 0 343.427 3.964 10 0 EHAERN CC(C)(C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C1CCCC1 ZINC000156191607 1029775767 /nfs/dbraw/zinc/77/57/67/1029775767.db2.gz SFBFDISALZTPAG-UHFFFAOYSA-N 0 0 348.531 3.844 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)n1 ZINC000114828810 1029865560 /nfs/dbraw/zinc/86/55/60/1029865560.db2.gz KQJNTOLEOIADOR-NEPJUHHUSA-N 0 0 336.486 3.558 10 0 EHAERN O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000080222755 1029881013 /nfs/dbraw/zinc/88/10/13/1029881013.db2.gz IXELUBUZACOCOR-UHFFFAOYSA-N 0 0 348.512 3.783 10 0 EHAERN O=C(c1cccc(Cl)n1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089763091 1029986262 /nfs/dbraw/zinc/98/62/62/1029986262.db2.gz QXZWGJRIXYBCEQ-ZDUSSCGKSA-N 0 0 337.206 3.682 10 0 EHAERN COCCC1(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)CCC1 ZINC000156832092 1030054848 /nfs/dbraw/zinc/05/48/48/1030054848.db2.gz PACMTIKDAJYCIY-DOTOQJQBSA-N 0 0 331.456 3.606 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000246071488 1030346422 /nfs/dbraw/zinc/34/64/22/1030346422.db2.gz FFIMLFIRQMPYCA-HBUWYVDXSA-N 0 0 326.444 3.761 10 0 EHAERN O=Cc1cn(-c2ccc(Br)cc2)nc1/C=C\c1cocn1 ZINC000588580339 1030350289 /nfs/dbraw/zinc/35/02/89/1030350289.db2.gz ZSENZFYAJKGOSA-UTCJRWHESA-N 0 0 344.168 3.606 10 0 EHAERN Cc1c(NC(=O)N[C@@H](C)c2ccncc2)cnn1-c1ccccc1F ZINC000157337626 1030468289 /nfs/dbraw/zinc/46/82/89/1030468289.db2.gz STCWSOKGAJUBNF-LBPRGKRZSA-N 0 0 339.374 3.598 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000170632170 1030690362 /nfs/dbraw/zinc/69/03/62/1030690362.db2.gz MEAIXEUUVFRPMC-ZWKOTPCHSA-N 0 0 349.390 3.843 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2ccccc2N(C)C)c2ccccc2)[nH]1 ZINC000093944368 1030698325 /nfs/dbraw/zinc/69/83/25/1030698325.db2.gz GLJNFCFHQPQQAJ-IFXJQAMLSA-N 0 0 335.455 3.619 10 0 EHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1F ZINC000171191067 1030747081 /nfs/dbraw/zinc/74/70/81/1030747081.db2.gz PDUQQJDPXAMULB-UHFFFAOYSA-N 0 0 346.427 3.687 10 0 EHAERN CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000171643851 1030769491 /nfs/dbraw/zinc/76/94/91/1030769491.db2.gz JRYCZMKECKLNLW-OJXHRBAXSA-N 0 0 342.464 3.961 10 0 EHAERN CCOc1ccccc1CCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171645630 1030771500 /nfs/dbraw/zinc/77/15/00/1030771500.db2.gz IUEXIPOJZWPTLV-MRXNPFEDSA-N 0 0 344.480 3.881 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccccc3C)CC2)nc1 ZINC000157705444 1030783396 /nfs/dbraw/zinc/78/33/96/1030783396.db2.gz FPRNKTFPCZDDSC-UXHICEINSA-N 0 0 349.478 3.587 10 0 EHAERN Cc1ccc(O[C@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171613628 1030800517 /nfs/dbraw/zinc/80/05/17/1030800517.db2.gz ODAAWRDFADXHKB-QGZVFWFLSA-N 0 0 338.451 3.639 10 0 EHAERN CC(C)(CCC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000157736948 1030813777 /nfs/dbraw/zinc/81/37/77/1030813777.db2.gz OSUZUOAPNQPVJF-GOSISDBHSA-N 0 0 325.456 3.632 10 0 EHAERN CC[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000172570601 1030972097 /nfs/dbraw/zinc/97/20/97/1030972097.db2.gz IIEVFVSFMCRJRE-ZBFHGGJFSA-N 0 0 348.512 3.685 10 0 EHAERN Cc1ccc(N2CCC(Nc3nc4cc(F)ccc4o3)CC2)nc1 ZINC000172763971 1030994014 /nfs/dbraw/zinc/99/40/14/1030994014.db2.gz AGBZGCAAPTWJED-UHFFFAOYSA-N 0 0 326.375 3.751 10 0 EHAERN Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1-n1cncn1 ZINC000172938352 1031032640 /nfs/dbraw/zinc/03/26/40/1031032640.db2.gz QTIVEJSRSNWCJL-UHFFFAOYSA-N 0 0 344.418 3.505 10 0 EHAERN O=C(NCCC1CC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000173305203 1031078072 /nfs/dbraw/zinc/07/80/72/1031078072.db2.gz BLXFKFALCLTSNH-QGZVFWFLSA-N 0 0 338.455 3.766 10 0 EHAERN Cc1csc([C@H](NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)C2CC2)n1 ZINC000173391029 1031084140 /nfs/dbraw/zinc/08/41/40/1031084140.db2.gz LPFPNBJOPYNESL-HFBAOOFYSA-N 0 0 328.437 3.584 10 0 EHAERN CC(C)Nc1ncccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000173699849 1031129534 /nfs/dbraw/zinc/12/95/34/1031129534.db2.gz CGBQEMWGRJBURN-UHFFFAOYSA-N 0 0 327.453 3.893 10 0 EHAERN C[C@H]1CCCC[C@H]1OCc1noc(Cc2ccc3c(c2)NC(=O)C3)n1 ZINC000329583743 1031210795 /nfs/dbraw/zinc/21/07/95/1031210795.db2.gz QQWIAMVAQVNKJO-BLLLJJGKSA-N 0 0 341.411 3.900 10 0 EHAERN CC[C@@H]1CCC[C@H](NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000155992330 1031290736 /nfs/dbraw/zinc/29/07/36/1031290736.db2.gz IHSHCZSRFIRQBG-CABCVRRESA-N 0 0 332.492 3.580 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCCC[C@H]1c1ncon1 ZINC000249272638 1031386657 /nfs/dbraw/zinc/38/66/57/1031386657.db2.gz JKOKIZGWUPRZNU-ZENOOKHLSA-N 0 0 347.365 3.595 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c(F)c1 ZINC000176349851 1031429354 /nfs/dbraw/zinc/42/93/54/1031429354.db2.gz ZYEFMAKJIYGSJA-CQSZACIVSA-N 0 0 346.406 3.506 10 0 EHAERN COc1ccc([C@H](NC(=O)C(C)=C2CCCC2)c2nccn2C)cc1 ZINC000176522756 1031456431 /nfs/dbraw/zinc/45/64/31/1031456431.db2.gz KHQGHOYEZWADJC-SFHVURJKSA-N 0 0 339.439 3.525 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(F)c(C)c3)CC2)n1 ZINC000117006244 1031539344 /nfs/dbraw/zinc/53/93/44/1031539344.db2.gz KAEMFFSGALDTMP-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN CC(C)CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177736159 1031561867 /nfs/dbraw/zinc/56/18/67/1031561867.db2.gz WZUAOMVDBYDCPF-GOSISDBHSA-N 0 0 341.455 3.613 10 0 EHAERN O=C(c1csc([C@@H]2CCCO2)n1)N1CC=C(c2ccccc2)CC1 ZINC000158790975 1031628485 /nfs/dbraw/zinc/62/84/85/1031628485.db2.gz NCXLPAJUNBIKFO-KRWDZBQOSA-N 0 0 340.448 3.924 10 0 EHAERN COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000177874208 1031633216 /nfs/dbraw/zinc/63/32/16/1031633216.db2.gz RJNNIUPSJNDKQO-UHFFFAOYSA-N 0 0 337.379 3.662 10 0 EHAERN Nc1cccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c1 ZINC000178734369 1031701114 /nfs/dbraw/zinc/70/11/14/1031701114.db2.gz SDIGBOAEZLZILO-SFHVURJKSA-N 0 0 332.407 3.643 10 0 EHAERN CC(C)Sc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178709920 1031718430 /nfs/dbraw/zinc/71/84/30/1031718430.db2.gz WMARSVZMYQAJFF-MSOLQXFVSA-N 0 0 327.449 3.575 10 0 EHAERN Cn1cccc1[C@H]1CCCN1C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179497741 1031778410 /nfs/dbraw/zinc/77/84/10/1031778410.db2.gz OCJXVUAGPIXAHW-QGZVFWFLSA-N 0 0 335.411 3.784 10 0 EHAERN COc1ccc(OC(F)F)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117611054 1031778888 /nfs/dbraw/zinc/77/88/88/1031778888.db2.gz WEERCIQTSPTGRV-QLJPJBMISA-N 0 0 349.333 3.800 10 0 EHAERN CCOc1ccc(C(C)=O)cc1CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000179507693 1031781319 /nfs/dbraw/zinc/78/13/19/1031781319.db2.gz XUTQQSGMAMBCSJ-FQEVSTJZSA-N 0 0 343.423 3.763 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000179627029 1031793119 /nfs/dbraw/zinc/79/31/19/1031793119.db2.gz HOCLDJFYABLRKN-DLBZAZTESA-N 0 0 345.826 3.794 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-n2cncn2)cc1 ZINC000179816314 1031813134 /nfs/dbraw/zinc/81/31/34/1031813134.db2.gz YGJGRCCIJHGMRF-CQSZACIVSA-N 0 0 347.422 3.715 10 0 EHAERN COc1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000180063616 1031836637 /nfs/dbraw/zinc/83/66/37/1031836637.db2.gz JUGHPEFWWIBPSA-SFHVURJKSA-N 0 0 333.815 3.628 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cn(C)nc3-c3ccccc3)CCO2)o1 ZINC000180644127 1031894580 /nfs/dbraw/zinc/89/45/80/1031894580.db2.gz PEPUIQFTQDDBRX-IBGZPJMESA-N 0 0 337.423 3.562 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc4ccc(C)cc4[nH]3)CC2)nc1 ZINC000181190444 1031990489 /nfs/dbraw/zinc/99/04/89/1031990489.db2.gz PMTKHYUJACKIDR-UHFFFAOYSA-N 0 0 349.434 3.863 10 0 EHAERN CC(C)C[C@@H]1CCCN(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000158779695 1033335108 /nfs/dbraw/zinc/33/51/08/1033335108.db2.gz RZHLCUDGSCBAIB-HOTGVXAUSA-N 0 0 347.507 3.704 10 0 EHAERN COc1ccsc1C(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000106022542 1033523812 /nfs/dbraw/zinc/52/38/12/1033523812.db2.gz OXTCUGIRPWASLO-UHFFFAOYSA-N 0 0 345.464 3.860 10 0 EHAERN O=C(/C=C/SCc1ccco1)Nc1cccc(-c2ncon2)c1 ZINC000084972783 1033936535 /nfs/dbraw/zinc/93/65/35/1033936535.db2.gz QBTUMCPSPQAOGR-SOFGYWHQSA-N 0 0 327.365 3.715 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccncc1 ZINC000173499680 1033996048 /nfs/dbraw/zinc/99/60/48/1033996048.db2.gz JSZVEIYMVCQOEL-GJZGRUSLSA-N 0 0 330.457 3.578 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2c(F)cccc2F)cc1 ZINC000086191470 1034064328 /nfs/dbraw/zinc/06/43/28/1034064328.db2.gz GIBSASVXSUOILN-QGZVFWFLSA-N 0 0 346.377 3.749 10 0 EHAERN CCc1nc(C[S@@](=O)Cc2nc(-c3cccc(C)c3)no2)cs1 ZINC000101716083 1034100702 /nfs/dbraw/zinc/10/07/02/1034100702.db2.gz IVJYUAAOUNQZRJ-QHCPKHFHSA-N 0 0 347.465 3.513 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3nc(C)cs3)C2)cc1 ZINC000120821076 1034176065 /nfs/dbraw/zinc/17/60/65/1034176065.db2.gz UISGLQHLDOCDSG-GXTWGEPZSA-N 0 0 331.441 3.870 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3n[nH]c4ccccc43)C2)cc1 ZINC000121271099 1034619418 /nfs/dbraw/zinc/61/94/18/1034619418.db2.gz IFYGTPAAUMIMOI-UKRRQHHQSA-N 0 0 335.407 3.590 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3c(C)noc3Cl)C2)cc1 ZINC000121294378 1034639391 /nfs/dbraw/zinc/63/93/91/1034639391.db2.gz HOLATAWBIDADJR-BXUZGUMPSA-N 0 0 348.830 3.592 10 0 EHAERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H]2CCCCC(=O)N2)no1 ZINC000329926936 1034806512 /nfs/dbraw/zinc/80/65/12/1034806512.db2.gz WOUVNJOGYDHXCQ-KGLIPLIRSA-N 0 0 348.447 3.536 10 0 EHAERN CCCCn1cc(C(=O)N2CC=C(c3cccs3)CC2)c(C)n1 ZINC000185766905 1035529837 /nfs/dbraw/zinc/52/98/37/1035529837.db2.gz LPLCTRVHJCBPMG-UHFFFAOYSA-N 0 0 329.469 3.983 10 0 EHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185845903 1035547282 /nfs/dbraw/zinc/54/72/82/1035547282.db2.gz WSRVHHZUZOPWDP-SJORKVTESA-N 0 0 335.407 3.715 10 0 EHAERN CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186696242 1035689280 /nfs/dbraw/zinc/68/92/80/1035689280.db2.gz LMESXJNMVKCINE-GXTWGEPZSA-N 0 0 330.432 3.754 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)C/C=C/c1ccccc1F)[C@@H]2C ZINC000188783431 1035972202 /nfs/dbraw/zinc/97/22/02/1035972202.db2.gz SJZQQYBMHBOXGX-IZPAUZPXSA-N 0 0 342.418 3.547 10 0 EHAERN Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1C ZINC000188792838 1035975065 /nfs/dbraw/zinc/97/50/65/1035975065.db2.gz ISLXUBGWHNWFBC-ICSRJNTNSA-N 0 0 347.414 3.952 10 0 EHAERN O=C(Nc1cccc2[nH]ccc21)N1CCC(Nc2nccs2)CC1 ZINC000188819845 1035987654 /nfs/dbraw/zinc/98/76/54/1035987654.db2.gz VCIPRJWVODAYTE-UHFFFAOYSA-N 0 0 341.440 3.733 10 0 EHAERN Cc1nnc([C@H](NCc2ccc3nc(C)ccc3c2)c2ccccc2)[nH]1 ZINC000189311088 1036057480 /nfs/dbraw/zinc/05/74/80/1036057480.db2.gz FMCKRLLKTJJIFC-HXUWFJFHSA-N 0 0 343.434 3.849 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCCC[C@@H]1c1ncon1 ZINC000189564339 1036086375 /nfs/dbraw/zinc/08/63/75/1036086375.db2.gz JKOKIZGWUPRZNU-XJKCOSOUSA-N 0 0 347.365 3.595 10 0 EHAERN O=C(/C=C/c1cccnc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189639596 1036102924 /nfs/dbraw/zinc/10/29/24/1036102924.db2.gz UDZMSSMDTPSKRU-SBJJXXPASA-N 0 0 328.362 3.779 10 0 EHAERN CC(C)Cc1ncc(CN2CCC(Nc3nccs3)CC2)s1 ZINC000189955047 1036166479 /nfs/dbraw/zinc/16/64/79/1036166479.db2.gz KSQBXXJJDJSMGL-UHFFFAOYSA-N 0 0 336.530 3.875 10 0 EHAERN Cc1noc([C@@H]2CCN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)C2)n1 ZINC000332799106 1036179879 /nfs/dbraw/zinc/17/98/79/1036179879.db2.gz UGHJZBNQVRSDDI-MRRJBJDNSA-N 0 0 340.427 3.516 10 0 EHAERN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190287361 1036219258 /nfs/dbraw/zinc/21/92/58/1036219258.db2.gz AKEPMQUHOYITCB-LBPRGKRZSA-N 0 0 331.366 3.585 10 0 EHAERN Cc1noc(C)c1CNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190341370 1036225963 /nfs/dbraw/zinc/22/59/63/1036225963.db2.gz DDUFCRASGLUYRD-ZDUSSCGKSA-N 0 0 349.381 3.659 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CNC(=O)CC2CCCCC2)n1 ZINC000190382147 1036231509 /nfs/dbraw/zinc/23/15/09/1036231509.db2.gz URQOTZHYEYJEDH-YOEHRIQHSA-N 0 0 349.475 3.575 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(Cc2ccc(O)cc2Cl)n1 ZINC000190394310 1036235019 /nfs/dbraw/zinc/23/50/19/1036235019.db2.gz KPMIXIKKXZTOPN-WFASDCNBSA-N 0 0 336.819 3.938 10 0 EHAERN CCc1ccc(CCC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190417522 1036236980 /nfs/dbraw/zinc/23/69/80/1036236980.db2.gz IRUUCJPZTQFXKH-UHFFFAOYSA-N 0 0 343.496 3.741 10 0 EHAERN CC[C@@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCO1 ZINC000157743102 1036319249 /nfs/dbraw/zinc/31/92/49/1036319249.db2.gz MIDDEDWDACXDLU-NVXWUHKLSA-N 0 0 344.455 3.643 10 0 EHAERN O=C(Nc1cccc(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000191142375 1036341791 /nfs/dbraw/zinc/34/17/91/1036341791.db2.gz CCIBBJWJYYLTDV-UHFFFAOYSA-N 0 0 326.371 3.926 10 0 EHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191211138 1036349010 /nfs/dbraw/zinc/34/90/10/1036349010.db2.gz XZUCFIHVTLFCBM-FZMZJTMJSA-N 0 0 347.409 3.814 10 0 EHAERN O=C(c1c[nH]nc1C1CC1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191536808 1036412163 /nfs/dbraw/zinc/41/21/63/1036412163.db2.gz KYUKMNDRUWRAIM-GFCCVEGCSA-N 0 0 331.366 3.585 10 0 EHAERN Cc1csc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000102940054 1036788203 /nfs/dbraw/zinc/78/82/03/1036788203.db2.gz FRMPYVRLLLHRKN-GFCCVEGCSA-N 0 0 331.397 3.549 10 0 EHAERN Cc1noc2nc(C)cc(C(=O)NCCc3c[nH]c4cccc(C)c34)c12 ZINC000103129050 1036845593 /nfs/dbraw/zinc/84/55/93/1036845593.db2.gz KEHCDUNAUYRTQD-UHFFFAOYSA-N 0 0 348.406 3.602 10 0 EHAERN Cc1cccc(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)n1 ZINC000103308702 1036956467 /nfs/dbraw/zinc/95/64/67/1036956467.db2.gz ZPBBXDRIMCPLNZ-UHFFFAOYSA-N 0 0 331.366 3.542 10 0 EHAERN C[C@@H](NC(=O)NCCCCNc1ccccn1)c1cccc(Cl)c1 ZINC000105080625 1037148738 /nfs/dbraw/zinc/14/87/38/1037148738.db2.gz BPKAVELFTLQMNO-CQSZACIVSA-N 0 0 346.862 3.988 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)c2ccccc2O1 ZINC000285483493 1037166407 /nfs/dbraw/zinc/16/64/07/1037166407.db2.gz QXEMHLBHIQMLQH-BQFCYCMXSA-N 0 0 344.455 3.642 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@@H]2CCCC[C@H]21 ZINC000176850461 1037217363 /nfs/dbraw/zinc/21/73/63/1037217363.db2.gz HCFRJAQLXFXSNU-ZIAGYGMSSA-N 0 0 331.309 3.628 10 0 EHAERN O=C(/C=C/c1ccc(-n2ccnc2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000193557483 1037284470 /nfs/dbraw/zinc/28/44/70/1037284470.db2.gz WZKPSECWWSHKEL-QPGLYAHGSA-N 0 0 345.402 3.526 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1ccccc1OC(C)C ZINC000104461062 1037297305 /nfs/dbraw/zinc/29/73/05/1037297305.db2.gz FTEDIXYOSATRIC-UHFFFAOYSA-N 0 0 341.451 3.726 10 0 EHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccnc1Cl ZINC000101532075 1037568697 /nfs/dbraw/zinc/56/86/97/1037568697.db2.gz KNXNSIQNAAGKGW-UHFFFAOYSA-N 0 0 345.761 3.502 10 0 EHAERN CN(C)C(=O)c1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc1 ZINC000102849244 1037585743 /nfs/dbraw/zinc/58/57/43/1037585743.db2.gz QIZFLKLKHPMBMS-IBGZPJMESA-N 0 0 348.402 3.501 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109096787 1037660135 /nfs/dbraw/zinc/66/01/35/1037660135.db2.gz GJMABLCOWHNTCK-ZIAGYGMSSA-N 0 0 341.317 3.757 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000112721362 1037769768 /nfs/dbraw/zinc/76/97/68/1037769768.db2.gz GYWKPPIJHRXCIQ-HNNXBMFYSA-N 0 0 340.471 3.839 10 0 EHAERN O=C(/C=C/C1CCCCC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000117746111 1037861616 /nfs/dbraw/zinc/86/16/16/1037861616.db2.gz DHBCPDXYVCDLDE-ZHACJKMWSA-N 0 0 346.515 3.764 10 0 EHAERN CC[C@]1(C)CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000119076431 1037880178 /nfs/dbraw/zinc/88/01/78/1037880178.db2.gz XZJBQPKVSCGXGP-MEDUHNTESA-N 0 0 343.393 3.572 10 0 EHAERN CC[C@]1(C)CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000119076156 1037881086 /nfs/dbraw/zinc/88/10/86/1037881086.db2.gz XZJBQPKVSCGXGP-BDJLRTHQSA-N 0 0 343.393 3.572 10 0 EHAERN Fc1cccc(F)c1-c1nc(CSc2ncnc3[nH]cnc32)co1 ZINC000119448563 1037901146 /nfs/dbraw/zinc/90/11/46/1037901146.db2.gz JUYDMMGSKOEGJN-UHFFFAOYSA-N 0 0 345.334 3.578 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000332783553 1037953832 /nfs/dbraw/zinc/95/38/32/1037953832.db2.gz ZYFODDSEHAOQGL-FSNPWBFUSA-N 0 0 347.503 3.873 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Cl)ccc32)no1 ZINC000332804069 1037957315 /nfs/dbraw/zinc/95/73/15/1037957315.db2.gz DDPYETODGPGEFM-HUUCEWRRSA-N 0 0 346.818 3.565 10 0 EHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@H]2CCC[C@@H]21 ZINC000330179336 1037959225 /nfs/dbraw/zinc/95/92/25/1037959225.db2.gz FHQINVZIJBEJLZ-RISCZKNCSA-N 0 0 331.803 3.823 10 0 EHAERN CCc1oc(C(=O)N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)cc1C ZINC000124463256 1038191132 /nfs/dbraw/zinc/19/11/32/1038191132.db2.gz DWRKIGCNNHESQY-CQSZACIVSA-N 0 0 343.423 3.797 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000125519313 1038339295 /nfs/dbraw/zinc/33/92/95/1038339295.db2.gz QFYJVHPFVWHVSV-WMLDXEAASA-N 0 0 332.444 3.897 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C(C)C)C3)C2)no1 ZINC000245825580 1039004972 /nfs/dbraw/zinc/00/49/72/1039004972.db2.gz OHMCKQNCFNOPOQ-GVDBMIGSSA-N 0 0 348.491 3.557 10 0 EHAERN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151178100 1039766168 /nfs/dbraw/zinc/76/61/68/1039766168.db2.gz NGYMLUAYVXSRNT-KUHUBIRLSA-N 0 0 346.858 3.517 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)n1 ZINC000245500896 1040067093 /nfs/dbraw/zinc/06/70/93/1040067093.db2.gz AFJXJQHWOPMETG-GUDVDZBRSA-N 0 0 346.519 3.596 10 0 EHAERN O=C(NCC1CC(c2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332729329 1040110583 /nfs/dbraw/zinc/11/05/83/1040110583.db2.gz XSUOGPMOFWLHBY-JBZVSFTFSA-N 0 0 342.483 3.517 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000332873142 1040167326 /nfs/dbraw/zinc/16/73/26/1040167326.db2.gz PQPQBZILTJDJLW-AJNGGQMLSA-N 0 0 348.409 3.612 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1nnc2ccccn21 ZINC000245739041 1040506461 /nfs/dbraw/zinc/50/64/61/1040506461.db2.gz UNHPSNSMQGQXFJ-XUWVNRHRSA-N 0 0 326.444 3.513 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000408445271 1040855504 /nfs/dbraw/zinc/85/55/04/1040855504.db2.gz ZYTRJHIQSMATKT-QGZVFWFLSA-N 0 0 332.444 3.898 10 0 EHAERN Cc1nc([C@@H]2CCCN2c2nc(C)nc3sc(C)c(C)c32)no1 ZINC000408100753 1041209099 /nfs/dbraw/zinc/20/90/99/1041209099.db2.gz UPPTUJBHFWBRDJ-LBPRGKRZSA-N 0 0 329.429 3.649 10 0 EHAERN O=C1NC2(CCCCCC2)C(=O)N1[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333125216 1041330474 /nfs/dbraw/zinc/33/04/74/1041330474.db2.gz AFMOSJBAOWYUSN-KGLIPLIRSA-N 0 0 348.468 3.613 10 0 EHAERN COc1ccc(-c2noc(CNc3cc(F)ccc3C)n2)cc1OC ZINC000198411821 1041735788 /nfs/dbraw/zinc/73/57/88/1041735788.db2.gz PBHPJRSQVLPHGU-UHFFFAOYSA-N 0 0 343.358 3.813 10 0 EHAERN CC[C@H]1COCCN1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123555697 1041983454 /nfs/dbraw/zinc/98/34/54/1041983454.db2.gz HPBLJYDKMZCOIZ-RDJZCZTQSA-N 0 0 344.455 3.643 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)[C@@H]2CCCC[C@@H]21 ZINC000408175094 1042121678 /nfs/dbraw/zinc/12/16/78/1042121678.db2.gz POESKGXRQSZUIV-XNRPHZJLSA-N 0 0 342.443 3.936 10 0 EHAERN CC(C)(C)[C@H]1CCCN(C(=O)NCc2cn3c(n2)CCCC3)CC1 ZINC000408180378 1042157630 /nfs/dbraw/zinc/15/76/30/1042157630.db2.gz QDOCEXQCWWZHKW-HNNXBMFYSA-N 0 0 332.492 3.577 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000408209208 1042575345 /nfs/dbraw/zinc/57/53/45/1042575345.db2.gz ZCMJMGWQIXRWME-RDJZCZTQSA-N 0 0 341.455 3.804 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000162540671 1042736953 /nfs/dbraw/zinc/73/69/53/1042736953.db2.gz VSEHRUDXYPLJIT-BMLIUANNSA-N 0 0 346.356 3.971 10 0 EHAERN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1 ZINC000408231139 1042801870 /nfs/dbraw/zinc/80/18/70/1042801870.db2.gz LCZTUWGMDLCMJP-GDBMZVCRSA-N 0 0 346.500 3.540 10 0 EHAERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@@H]2[C@H](C)C2(F)F)no1 ZINC000408232633 1042806445 /nfs/dbraw/zinc/80/64/45/1042806445.db2.gz VDNRWCAEIFBPIJ-SRVKXCTJSA-N 0 0 327.375 3.538 10 0 EHAERN Cc1c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)sc2nccc(C)c12 ZINC000408349823 1043535198 /nfs/dbraw/zinc/53/51/98/1043535198.db2.gz MHVAMMLBKJLISO-LIRRHRJNSA-N 0 0 344.480 3.680 10 0 EHAERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000408397879 1044874315 /nfs/dbraw/zinc/87/43/15/1044874315.db2.gz VLTQDFRQDRUEKL-XYVMCAHJSA-N 0 0 347.503 3.702 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2O)N1CCCC[C@@H]1c1nccs1 ZINC000267091606 1127217276 /nfs/dbraw/zinc/21/72/76/1127217276.db2.gz USQKAMSUKVVCDH-HUUCEWRRSA-N 0 0 343.452 3.773 10 0 EHAERN CCn1cnnc1-c1ccccc1NC(=O)CCc1ccc(C)cc1 ZINC000104265353 1127878719 /nfs/dbraw/zinc/87/87/19/1127878719.db2.gz PFBXFZXSKXOPDB-UHFFFAOYSA-N 0 0 334.423 3.845 10 0 EHAERN Cc1nc(C)c(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000268125304 1128445214 /nfs/dbraw/zinc/44/52/14/1128445214.db2.gz CWIRWCFVSKFXRA-NSHDSACASA-N 0 0 335.433 3.635 10 0 EHAERN CCOc1ccc(CNC(=O)CCCc2ccc(OC)cc2)cc1F ZINC000105984420 1128477045 /nfs/dbraw/zinc/47/70/45/1128477045.db2.gz AGCVWZSSIBXIQW-UHFFFAOYSA-N 0 0 345.414 3.872 10 0 EHAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@H](C)[C@H](C)C3CCCCC3)C2)n1 ZINC000370103477 1120899366 /nfs/dbraw/zinc/89/93/66/1120899366.db2.gz XKGKYWUSPMYSFX-JJRVBVJISA-N 0 0 348.491 3.872 10 0 EHAERN Cc1cccc(CNC(=O)NCc2ccccc2OCCC(C)C)n1 ZINC000101615681 1123762658 /nfs/dbraw/zinc/76/26/58/1123762658.db2.gz CMAWQSBOIWOGPP-UHFFFAOYSA-N 0 0 341.455 3.814 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)[C@H]2CCCO2)s1 ZINC000189478287 1132446031 /nfs/dbraw/zinc/44/60/31/1132446031.db2.gz NBYYTAMAEFZTRJ-GXTWGEPZSA-N 0 0 331.441 3.808 10 0 EHAERN CCOCCOC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000103330993 1132825261 /nfs/dbraw/zinc/82/52/61/1132825261.db2.gz CVJBATVEFNYCCP-ZIAGYGMSSA-N 0 0 331.437 3.926 10 0 EHAERN CC(=O)N(CCC(=O)Oc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000101808060 1135398161 /nfs/dbraw/zinc/39/81/61/1135398161.db2.gz IJBZWIIKWOQHOV-UHFFFAOYSA-N 0 0 337.419 3.520 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(Cl)c2)c1 ZINC000101964480 1135434680 /nfs/dbraw/zinc/43/46/80/1135434680.db2.gz ZONDSWQFNXHHTD-IAQYHMDHSA-N 0 0 344.798 3.687 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CC3CCCCC3)C2)o1 ZINC000102143449 1135464940 /nfs/dbraw/zinc/46/49/40/1135464940.db2.gz OMRRPSIWFDDFFJ-KRWDZBQOSA-N 0 0 347.455 3.954 10 0 EHAERN COC(=O)c1cc2ccccc2cc1NCc1nc(-c2ccoc2)no1 ZINC000105606771 1135957544 /nfs/dbraw/zinc/95/75/44/1135957544.db2.gz IAPYDFPQTCDGGW-UHFFFAOYSA-N 0 0 349.346 3.882 10 0 EHAERN CC[C@H]1CCCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000102567427 1137873416 /nfs/dbraw/zinc/87/34/16/1137873416.db2.gz VAVIWYWTUMSENW-AWEZNQCLSA-N 0 0 345.418 3.855 10 0 EHAERN C[C@H](NC(=O)Nc1ccnn1[C@@H](C)C1CC1)c1nc2ccccc2[nH]1 ZINC000105777396 1137882012 /nfs/dbraw/zinc/88/20/12/1137882012.db2.gz FAUXLENHDIVUNN-RYUDHWBXSA-N 0 0 338.415 3.613 10 0 EHAERN CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)s1 ZINC000333230893 1137958866 /nfs/dbraw/zinc/95/88/66/1137958866.db2.gz YGHGXWAUYBGPKA-CRWXNKLISA-N 0 0 342.530 3.525 10 0 EHAERN CSc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000003524417 1138101436 /nfs/dbraw/zinc/10/14/36/1138101436.db2.gz JIVUECSFGXNPIH-UHFFFAOYSA-N 0 0 326.377 3.816 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCCC[C@@H]2c2ncon2)cc1 ZINC000333322022 1138276834 /nfs/dbraw/zinc/27/68/34/1138276834.db2.gz UQKDMCDIEXBLHS-YESZJQIVSA-N 0 0 325.412 3.625 10 0 EHAERN CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@@H]2CCCN2CC(F)(F)F)n1 ZINC000333355775 1138280327 /nfs/dbraw/zinc/28/03/27/1138280327.db2.gz CAEXHPFKPMOCLQ-GRYCIOLGSA-N 0 0 347.381 3.687 10 0 EHAERN C[C@H]1OCC[C@H]1NC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000333712814 1138324062 /nfs/dbraw/zinc/32/40/62/1138324062.db2.gz MMWMPHMFPWYMSD-NXEZZACHSA-N 0 0 337.832 3.762 10 0 EHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333920641 1138347947 /nfs/dbraw/zinc/34/79/47/1138347947.db2.gz QBLLSGPKUDODBR-YESZJQIVSA-N 0 0 336.435 3.563 10 0 EHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333920639 1138348181 /nfs/dbraw/zinc/34/81/81/1138348181.db2.gz QBLLSGPKUDODBR-GVDBMIGSSA-N 0 0 336.435 3.563 10 0 EHAERN CCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187018944 1140233328 /nfs/dbraw/zinc/23/33/28/1140233328.db2.gz VEPWESXREOGZMW-INIZCTEOSA-N 0 0 343.452 3.777 10 0 EHAERN CCCc1cc(NC(=O)N2CCC[C@H]2c2csc(C)n2)n(C)n1 ZINC000189283480 1140332348 /nfs/dbraw/zinc/33/23/48/1140332348.db2.gz NLRLVRXQORPDAE-AWEZNQCLSA-N 0 0 333.461 3.507 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000190153977 1140389785 /nfs/dbraw/zinc/38/97/85/1140389785.db2.gz BGGZVYSTNGBOCS-UONOGXRCSA-N 0 0 342.226 3.647 10 0 EHAERN COc1ccc([C@H](O)Cc2ccc(Br)s2)cc1OC ZINC000053781540 214197978 /nfs/dbraw/zinc/19/79/78/214197978.db2.gz QHUIVGVQPXQHNC-LLVKDONJSA-N 0 0 343.242 3.804 10 0 EHAERN C[C@H]1CCC[C@H](S(=O)(=O)Cc2ccc(N)cc2Br)C1 ZINC000054691968 214251095 /nfs/dbraw/zinc/25/10/95/214251095.db2.gz KEOSYJIFGHXYIY-GWCFXTLKSA-N 0 0 346.290 3.525 10 0 EHAERN CSc1cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(Cl)n1 ZINC000098091290 219082867 /nfs/dbraw/zinc/08/28/67/219082867.db2.gz DQSYEBAPSZGWAJ-SNVBAGLBSA-N 0 0 344.864 3.845 10 0 EHAERN C[C@@H](Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cccs1 ZINC000037129817 201885685 /nfs/dbraw/zinc/88/56/85/201885685.db2.gz SKZXKFFVIIZGCA-SSDOTTSWSA-N 0 0 338.230 3.853 10 0 EHAERN O=C(c1cc(CCc2ccccc2)no1)N1CCc2ccccc2C1 ZINC000014985852 201946268 /nfs/dbraw/zinc/94/62/68/201946268.db2.gz GSZYIVUYIGLFKX-UHFFFAOYSA-N 0 0 332.403 3.658 10 0 EHAERN COc1ccc(Br)c2c(N)c(C)c(C(F)(F)F)nc12 ZINC000104204761 219361152 /nfs/dbraw/zinc/36/11/52/219361152.db2.gz USINXHIBMQTWRA-UHFFFAOYSA-N 0 0 335.123 3.915 10 0 EHAERN COC(=O)c1sc2nc(C)nc(Nc3ccc(O)cc3)c2c1C ZINC000020325835 202037575 /nfs/dbraw/zinc/03/75/75/202037575.db2.gz MHBFBPHBKCFRGL-UHFFFAOYSA-N 0 0 329.381 3.544 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)CC2=O)c1 ZINC000020373884 202040694 /nfs/dbraw/zinc/04/06/94/202040694.db2.gz RFGBHHXDVUMVQT-INIZCTEOSA-N 0 0 344.499 3.987 10 0 EHAERN C[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3[nH]2)C1)c1ccccc1 ZINC000021159052 202063441 /nfs/dbraw/zinc/06/34/41/202063441.db2.gz IBTVPYZZBPIXRD-NVXWUHKLSA-N 0 0 348.450 3.657 10 0 EHAERN Nc1ccc(Cl)cc1C(=O)Nc1ccccc1Br ZINC000022219920 202081492 /nfs/dbraw/zinc/08/14/92/202081492.db2.gz NHAUSGZTALKKHF-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN C[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000022044155 202077585 /nfs/dbraw/zinc/07/75/85/202077585.db2.gz RQBBOHCZTLJVMW-STQMWFEESA-N 0 0 325.437 3.921 10 0 EHAERN CCOc1ccccc1CNC(=O)c1c(C)noc1-c1ccco1 ZINC000022643090 202088629 /nfs/dbraw/zinc/08/86/29/202088629.db2.gz YWZYLJFZWYLQNU-UHFFFAOYSA-N 0 0 326.352 3.572 10 0 EHAERN COc1ccc2c(c1)-c1onc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c1CC2 ZINC000022620723 202089036 /nfs/dbraw/zinc/08/90/36/202089036.db2.gz ZCYXFQHNGFJYTH-STQMWFEESA-N 0 0 340.423 3.567 10 0 EHAERN Cc1nc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)n[nH]1 ZINC000029130833 202181765 /nfs/dbraw/zinc/18/17/65/202181765.db2.gz MJEBBSBLMQZLPI-UHFFFAOYSA-N 0 0 346.434 3.895 10 0 EHAERN COc1cccc2c(C)cc(=O)n(CC(=O)c3ccc(Cl)cc3)c12 ZINC000032530943 202226334 /nfs/dbraw/zinc/22/63/34/202226334.db2.gz FVAYEXGXCHGYNS-UHFFFAOYSA-N 0 0 341.794 3.855 10 0 EHAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(=O)Nc1ccccc1 ZINC000032527331 202226707 /nfs/dbraw/zinc/22/67/07/202226707.db2.gz DMBDMNNJBOSHHZ-UHFFFAOYSA-N 0 0 334.419 3.956 10 0 EHAERN CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc21 ZINC000032605732 202229343 /nfs/dbraw/zinc/22/93/43/202229343.db2.gz IPUBCHVRHXNJDL-UHFFFAOYSA-N 0 0 342.345 3.860 10 0 EHAERN CCOC(=O)c1c(C=O)c2ccccc2n1Cc1cccc(F)c1 ZINC000032917059 202241994 /nfs/dbraw/zinc/24/19/94/202241994.db2.gz DQHGRYRJDVSRGD-UHFFFAOYSA-N 0 0 325.339 3.818 10 0 EHAERN CC[C@H](C(=O)NC1CCCCCC1)N1c2ccccc2CCCC1=O ZINC000032929355 202243188 /nfs/dbraw/zinc/24/31/88/202243188.db2.gz ZLHLWKBNYNXEBK-GOSISDBHSA-N 0 0 342.483 3.974 10 0 EHAERN COC(=O)c1c(NC(=O)/C=C\c2ccc(C)o2)sc2c1CCC2 ZINC000033316738 202257112 /nfs/dbraw/zinc/25/71/12/202257112.db2.gz FHQKVLCKBGLOHW-HJWRWDBZSA-N 0 0 331.393 3.577 10 0 EHAERN CCCCCOc1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000033488630 202262777 /nfs/dbraw/zinc/26/27/77/202262777.db2.gz UOXVWPQZEIZBLA-UHFFFAOYSA-N 0 0 332.425 3.975 10 0 EHAERN COc1ccc(C=C2CCCc3c(C(F)(F)F)nc(=O)[nH]c32)cc1 ZINC000034561694 202273467 /nfs/dbraw/zinc/27/34/67/202273467.db2.gz FCMAPXSWHAFHCW-PKNBQFBNSA-N 0 0 336.313 3.674 10 0 EHAERN Nc1cc(Br)ccc1Nc1ccc2c(c1)OCCCO2 ZINC000034964440 202282595 /nfs/dbraw/zinc/28/25/95/202282595.db2.gz HGDJDFMQIOWNSJ-UHFFFAOYSA-N 0 0 335.201 3.936 10 0 EHAERN O=C(c1cccs1)N1CCC[C@@H](OCc2cc(F)cc(F)c2)C1 ZINC000036315345 202321076 /nfs/dbraw/zinc/32/10/76/202321076.db2.gz ACTGOJXWVIYFDD-OAHLLOKOSA-N 0 0 337.391 3.848 10 0 EHAERN Cc1ccc([C@H](C)N(C)C(=O)c2cc(Br)c[nH]2)s1 ZINC000037845925 202371076 /nfs/dbraw/zinc/37/10/76/202371076.db2.gz TWLFQPGMACSNHK-VIFPVBQESA-N 0 0 327.247 3.980 10 0 EHAERN NC(=O)[C@@H](Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000037944261 202379918 /nfs/dbraw/zinc/37/99/18/202379918.db2.gz HJPLOEAKISWEKK-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN C[C@H]1C[C@H](N(C)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000073656834 202370111 /nfs/dbraw/zinc/37/01/11/202370111.db2.gz CEFZBGIKFDOJDH-QWHCGFSZSA-N 0 0 328.453 3.641 10 0 EHAERN O=C([O-])[C@@H](c1ccc(F)c(Br)c1)[NH+]1CCCCCC1 ZINC000038086468 202391485 /nfs/dbraw/zinc/39/14/85/202391485.db2.gz KYQDNHIFLMOCPI-CYBMUJFWSA-N 0 0 330.197 3.590 10 0 EHAERN O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1C[C@H]1c1ccco1 ZINC000123536840 201089883 /nfs/dbraw/zinc/08/98/83/201089883.db2.gz MIMUHIAFQNTYMR-KGLIPLIRSA-N 0 0 346.224 3.951 10 0 EHAERN COc1cccc(-c2cc(=O)[nH]c(Nc3cc(F)c(F)c(F)c3)n2)c1 ZINC000057341699 201138590 /nfs/dbraw/zinc/13/85/90/201138590.db2.gz RUJNEOZREFCHSY-UHFFFAOYSA-N 0 0 347.296 3.606 10 0 EHAERN CC(C)N(CC(=O)c1cccc(Br)c1)CC(F)(F)F ZINC000042776788 202502402 /nfs/dbraw/zinc/50/24/02/202502402.db2.gz QAIPJBFEESJZSY-UHFFFAOYSA-N 0 0 338.167 3.905 10 0 EHAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](O)CCCO ZINC000090729724 201373048 /nfs/dbraw/zinc/37/30/48/201373048.db2.gz YOHBWDANMARVMU-GFCCVEGCSA-N 0 0 331.359 3.943 10 0 EHAERN S=C(NN=c1[nH]c2ccccc2nc1Cl)Nc1ccccc1 ZINC000090742038 201373434 /nfs/dbraw/zinc/37/34/34/201373434.db2.gz RQAMQFARZLLEDL-UHFFFAOYSA-N 0 0 329.816 3.597 10 0 EHAERN CC(C)CNC(=O)c1cc2cc(NC(=O)c3cccs3)ccc2[nH]1 ZINC000044854650 202529343 /nfs/dbraw/zinc/52/93/43/202529343.db2.gz OXCVPACJTFEMIC-UHFFFAOYSA-N 0 0 341.436 3.868 10 0 EHAERN CCCn1cc(-c2cc(C(=O)N(C)C)c3cc(Cl)ccc3n2)cn1 ZINC000023145538 212355671 /nfs/dbraw/zinc/35/56/71/212355671.db2.gz UPSOEEDIDWLGCG-UHFFFAOYSA-N 0 0 342.830 3.864 10 0 EHAERN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(C)sc1C ZINC000000122315 201437812 /nfs/dbraw/zinc/43/78/12/201437812.db2.gz QFBYVELELOUGOQ-KRWDZBQOSA-N 0 0 345.464 3.896 10 0 EHAERN Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000022216295 212283084 /nfs/dbraw/zinc/28/30/84/212283084.db2.gz ZKQBSWWXIHWQRE-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN O=C(N[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000196134176 241034125 /nfs/dbraw/zinc/03/41/25/241034125.db2.gz WEAARGOMUYPMNN-WOJBJXKFSA-N 0 0 342.398 3.573 10 0 EHAERN O=C(N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000196134167 241034397 /nfs/dbraw/zinc/03/43/97/241034397.db2.gz WEAARGOMUYPMNN-VQTJNVASSA-N 0 0 342.398 3.573 10 0 EHAERN CN(Cc1ccccc1Br)c1nc(Cl)nc(Cl)n1 ZINC000061053213 202785822 /nfs/dbraw/zinc/78/58/22/202785822.db2.gz BYMSPEXESDMEEE-UHFFFAOYSA-N 0 0 348.031 3.577 10 0 EHAERN Fc1cc(Br)ccc1Oc1nc(Cl)nc(Cl)n1 ZINC000061053207 202785966 /nfs/dbraw/zinc/78/59/66/202785966.db2.gz MQERSZMUKXEIAY-UHFFFAOYSA-N 0 0 338.951 3.872 10 0 EHAERN Cc1nn(-c2ccc([C@H](C)O)cc2Br)c(C)c1Cl ZINC000061697276 202789081 /nfs/dbraw/zinc/78/90/81/202789081.db2.gz ZZOOYERPRDXPNV-VIFPVBQESA-N 0 0 329.625 3.958 10 0 EHAERN O[C@H](Cc1ccc(F)cc1)c1ccc(I)cc1 ZINC000062140390 202794170 /nfs/dbraw/zinc/79/41/70/202794170.db2.gz UPAULYBENZCPQV-CQSZACIVSA-N 0 0 342.151 3.706 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2C(F)(F)F)C(=O)C1 ZINC000071790702 203113074 /nfs/dbraw/zinc/11/30/74/203113074.db2.gz MKIZXFQAHVTDNW-LBPRGKRZSA-N 0 0 343.345 3.999 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2C(F)(F)F)[C@H](O)C1 ZINC000071790698 203113144 /nfs/dbraw/zinc/11/31/44/203113144.db2.gz DCGPFMBWRAEWML-GXTWGEPZSA-N 0 0 345.361 3.791 10 0 EHAERN COC(=O)Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000071974096 203155174 /nfs/dbraw/zinc/15/51/74/203155174.db2.gz QKFIBWUHWFWYLW-UHFFFAOYSA-N 0 0 335.197 3.744 10 0 EHAERN O=C([O-])c1ccccc1[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072156759 203175200 /nfs/dbraw/zinc/17/52/00/203175200.db2.gz LAXVWIHTERHBEC-INIZCTEOSA-N 0 0 332.403 3.923 10 0 EHAERN COC(=O)COc1cc(C)nc2cc(C(F)(F)F)c(Cl)cc21 ZINC000072237293 203183904 /nfs/dbraw/zinc/18/39/04/203183904.db2.gz FQKIQHRDOQXDIR-UHFFFAOYSA-N 0 0 333.693 3.767 10 0 EHAERN Cc1cc2c(nc(-c3cccnc3)nc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000072260798 203185852 /nfs/dbraw/zinc/18/58/52/203185852.db2.gz APAFPSDITZGWPU-TXEJJXNPSA-N 0 0 340.452 3.675 10 0 EHAERN CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1Cc1cccnc1 ZINC000072359247 203205478 /nfs/dbraw/zinc/20/54/78/203205478.db2.gz RKSBMJGEEWNGKB-KRWDZBQOSA-N 0 0 348.454 3.518 10 0 EHAERN NC(=S)c1ccc(F)c(COc2ccc(Br)cc2)c1 ZINC000019806087 212071138 /nfs/dbraw/zinc/07/11/38/212071138.db2.gz UKWQJEPOCUWMRL-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN COc1ccc2[nH]cc(C=C3NC(=S)N(c4ccccc4)C3=O)c2c1 ZINC000100367068 203992174 /nfs/dbraw/zinc/99/21/74/203992174.db2.gz ZESRHQMIXDGOHA-MFOYZWKCSA-N 0 0 349.415 3.850 10 0 EHAERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccc(Cl)cc2)CCC1 ZINC000097616747 203953826 /nfs/dbraw/zinc/95/38/26/203953826.db2.gz OBWPHVSLGIFXPB-UHFFFAOYSA-N 0 0 341.798 3.570 10 0 EHAERN Cc1cccc(N)c1C(=O)OCc1ccc(Br)s1 ZINC000103981989 204091410 /nfs/dbraw/zinc/09/14/10/204091410.db2.gz HYNKEOLWORQLAM-UHFFFAOYSA-N 0 0 326.215 3.758 10 0 EHAERN CCC(CC)[C@H](C)NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000104434682 204109661 /nfs/dbraw/zinc/10/96/61/204109661.db2.gz RTFVMJFYDUWGDU-NSHDSACASA-N 0 0 348.306 3.861 10 0 EHAERN COc1ccc([C@H](O)c2cc(C)ccc2F)cc1Br ZINC000052998804 206254296 /nfs/dbraw/zinc/25/42/96/206254296.db2.gz LMEUMRLVULRXER-HNNXBMFYSA-N 0 0 325.177 3.987 10 0 EHAERN Cn1c2ccccc2nc1CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328622664 258034427 /nfs/dbraw/zinc/03/44/27/258034427.db2.gz BLQOPFXGXIEVRG-GOSISDBHSA-N 0 0 335.455 3.512 10 0 EHAERN C[C@H]1C(=O)N(c2ccccc2Cl)CCN1Cc1ccc(F)cc1 ZINC000037519522 132393790 /nfs/dbraw/zinc/39/37/90/132393790.db2.gz CCPFOLIRDUDDKY-ZDUSSCGKSA-N 0 0 332.806 3.716 10 0 EHAERN COC(=O)c1occc1CN[C@@H](C)c1ccccc1Br ZINC000035055196 522414003 /nfs/dbraw/zinc/41/40/03/522414003.db2.gz UHWMGDYTOZXLBK-JTQLQIEISA-N 0 0 338.201 3.680 10 0 EHAERN CC[C@@H]1CO[C@@H](C)CN1c1ccc([C@@H](C)O)cc1Br ZINC000061695974 535843998 /nfs/dbraw/zinc/84/39/98/535843998.db2.gz VDJAIVBMPPAUND-DMDPSCGWSA-N 0 0 328.250 3.506 10 0 EHAERN O=S(=O)(Nc1c(F)c(F)c(Cl)c(F)c1F)c1ccccc1 ZINC000003207081 563476832 /nfs/dbraw/zinc/47/68/32/563476832.db2.gz OEXYTCKBAOEWEF-UHFFFAOYSA-N 0 0 339.697 3.697 10 0 EHAERN COc1ccc2c(c1)O[C@H](C)CN(C(=O)/C(F)=C/c1ccccc1)C2 ZINC000014960899 563768721 /nfs/dbraw/zinc/76/87/21/563768721.db2.gz SFOAXWGMLCETHZ-FNHQQPGVSA-N 0 0 341.382 3.815 10 0 EHAERN Cc1ccc(NC(=S)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1 ZINC000017071459 563834667 /nfs/dbraw/zinc/83/46/67/563834667.db2.gz ZVDWAZBMOUINBN-SFHVURJKSA-N 0 0 341.480 3.768 10 0 EHAERN Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)CC[C@@H]2C)cc1 ZINC000039931100 563922705 /nfs/dbraw/zinc/92/27/05/563922705.db2.gz RHHILGKMDCRNLT-AWEZNQCLSA-N 0 0 329.421 3.555 10 0 EHAERN FC(F)(F)Oc1cccc(-c2nnc(Br)s2)c1 ZINC000088675405 563974548 /nfs/dbraw/zinc/97/45/48/563974548.db2.gz JOGXPTMBVJKSLR-UHFFFAOYSA-N 0 0 325.109 3.866 10 0 EHAERN O=C(Cc1ccnc2ccc(Br)cc12)c1ccccn1 ZINC000091301536 563975238 /nfs/dbraw/zinc/97/52/38/563975238.db2.gz KXIHRMCVFLFLHQ-UHFFFAOYSA-N 0 0 327.181 3.818 10 0 EHAERN COC(=O)c1ccc2c(c1)nc(Cl)nc2NCc1ccccc1 ZINC000097673672 563981772 /nfs/dbraw/zinc/98/17/72/563981772.db2.gz MQHITRDWRDCXBK-UHFFFAOYSA-N 0 0 327.771 3.682 10 0 EHAERN CC(C)(C)OC(=O)N1CCC([C@@H](CO)CCNc2ccccc2)CC1 ZINC000725267374 563987431 /nfs/dbraw/zinc/98/74/31/563987431.db2.gz BKWPNUDOWVBGNY-QGZVFWFLSA-N 0 0 348.487 3.744 10 0 EHAERN C[C@@H]1CCc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)cc2C1 ZINC000005148031 563994692 /nfs/dbraw/zinc/99/46/92/563994692.db2.gz DWJBVSRPUHCDTB-LLVKDONJSA-N 0 0 337.345 3.665 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000583615475 564018108 /nfs/dbraw/zinc/01/81/08/564018108.db2.gz GYIBONSMGSTHAM-UXIGCNINSA-N 0 0 329.375 3.585 10 0 EHAERN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC(=S)C2C#N)cc1 ZINC000048524183 564129272 /nfs/dbraw/zinc/12/92/72/564129272.db2.gz PJWBVWBWAKMHCL-MRXNPFEDSA-N 0 0 340.448 3.690 10 0 EHAERN CC1=C(C#N)[C@@H](c2ccc(Cl)nc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545371 564129333 /nfs/dbraw/zinc/12/93/33/564129333.db2.gz MKKFHVLVARGCQU-MRXNPFEDSA-N 0 0 327.815 3.863 10 0 EHAERN CC1=C(C#N)[C@H](c2ccc(Cl)nc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545369 564129348 /nfs/dbraw/zinc/12/93/48/564129348.db2.gz MKKFHVLVARGCQU-INIZCTEOSA-N 0 0 327.815 3.863 10 0 EHAERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cccn1C1CC1 ZINC000328624119 564136978 /nfs/dbraw/zinc/13/69/78/564136978.db2.gz JSCZXPHVNCPXSP-CYBMUJFWSA-N 0 0 329.469 3.780 10 0 EHAERN CCc1ncc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)s1 ZINC000328626778 564137060 /nfs/dbraw/zinc/13/70/60/564137060.db2.gz MCJSUOUYCWKTCU-LLVKDONJSA-N 0 0 335.498 3.663 10 0 EHAERN CC[C@H](C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961494 564177213 /nfs/dbraw/zinc/17/72/13/564177213.db2.gz JTLYPBAYTVCZBE-RDJZCZTQSA-N 0 0 348.487 3.627 10 0 EHAERN C[C@@H](COCc1ccccc1)CC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000685962021 564177238 /nfs/dbraw/zinc/17/72/38/564177238.db2.gz RBJDZEGWLJMZDQ-CABCVRRESA-N 0 0 335.444 3.712 10 0 EHAERN C[C@H](C(=O)CCCOCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000405510193 564177557 /nfs/dbraw/zinc/17/75/57/564177557.db2.gz RDASBBMZKNTWAW-OAHLLOKOSA-N 0 0 335.444 3.808 10 0 EHAERN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000706399904 954948284 /nfs/dbraw/zinc/94/82/84/954948284.db2.gz IYBLIOWFLUKDOA-KOLCDFICSA-N 0 0 346.652 3.645 10 0 EHAERN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C)c1Br ZINC000719576534 955169660 /nfs/dbraw/zinc/16/96/60/955169660.db2.gz HFWRLWMPUCVTCV-YGRLFVJLSA-N 0 0 340.261 3.609 10 0 EHAERN CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2ccc(C(=O)[O-])o2)c1 ZINC000691783200 976382283 /nfs/dbraw/zinc/38/22/83/976382283.db2.gz DDHDLEHPTBEPSG-UHFFFAOYSA-N 0 0 346.383 3.615 10 0 EHAERN CC1(C)CC(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000701653527 977032536 /nfs/dbraw/zinc/03/25/36/977032536.db2.gz LJDLDAVEPYIVRI-UHFFFAOYSA-N 0 0 326.234 3.673 10 0 EHAERN COC(=O)c1c2c(sc1NC(=O)N1CCC13CCC3)CCCCC2 ZINC000407972833 1016645027 /nfs/dbraw/zinc/64/50/27/1016645027.db2.gz WCFNFIDGJIQRDJ-UHFFFAOYSA-N 0 0 348.468 3.964 10 0 EHAERN C[C@H]1CCCC[C@@H]1OCc1noc(-c2cccc3c2OCCO3)n1 ZINC000329766879 1032169114 /nfs/dbraw/zinc/16/91/14/1032169114.db2.gz YRXXYTHWEVMVGV-JSGCOSHPSA-N 0 0 330.384 3.603 10 0 EHAERN O=C(Nc1cccc(Oc2ccncc2)c1)[C@H]1CCCn2ccnc21 ZINC000080652452 1032224050 /nfs/dbraw/zinc/22/40/50/1032224050.db2.gz IECJRNVPSDEFIP-KRWDZBQOSA-N 0 0 334.379 3.587 10 0 EHAERN CCCCc1nc(CN2CCCN(c3ccccn3)CC2)cs1 ZINC000183811582 1032230792 /nfs/dbraw/zinc/23/07/92/1032230792.db2.gz DLSTUDSMSUUSDX-UHFFFAOYSA-N 0 0 330.501 3.593 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cc(C)ccn3)C2)cc1 ZINC000184062063 1032267770 /nfs/dbraw/zinc/26/77/70/1032267770.db2.gz YXMYZZZVFXENHO-GOEBONIOSA-N 0 0 325.412 3.809 10 0 EHAERN CC(C)c1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1F ZINC000184449433 1032271819 /nfs/dbraw/zinc/27/18/19/1032271819.db2.gz BZAWQMHNPFJBTO-UHFFFAOYSA-N 0 0 347.434 3.568 10 0 EHAERN COCC[C@H](Cc1cccc(F)c1)Nc1cccc2c1OCC[C@H]2O ZINC000184572003 1032297062 /nfs/dbraw/zinc/29/70/62/1032297062.db2.gz OCNMUNUEMCOYGG-VQIMIIECSA-N 0 0 345.414 3.701 10 0 EHAERN C[C@H](CCc1ccc2c(c1)OCO2)Nc1cccc2c1OCC[C@H]2O ZINC000184574779 1032298615 /nfs/dbraw/zinc/29/86/15/1032298615.db2.gz PSAFQDWEDMTHCW-CXAGYDPISA-N 0 0 341.407 3.664 10 0 EHAERN C[C@H](NCCC(Cl)(Cl)Cl)c1cn(-c2ccccc2)nn1 ZINC000185447523 1032397386 /nfs/dbraw/zinc/39/73/86/1032397386.db2.gz ZFXHJKULFRUOLB-JTQLQIEISA-N 0 0 333.650 3.678 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3oc(C)cc3C)C2)c1 ZINC000081642382 1032615213 /nfs/dbraw/zinc/61/52/13/1032615213.db2.gz SZXZYHTWCNMYMS-CQSZACIVSA-N 0 0 329.396 3.543 10 0 EHAERN Fc1cccc2oc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc21 ZINC000408030734 1017112017 /nfs/dbraw/zinc/11/20/17/1017112017.db2.gz HTFMCSBSDIBYAT-AWEZNQCLSA-N 0 0 326.375 3.910 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(N2CCCNC2=O)c1 ZINC000176665889 1017437214 /nfs/dbraw/zinc/43/72/14/1017437214.db2.gz XBEZYVVJGLPAMT-PBHICJAKSA-N 0 0 343.471 3.551 10 0 EHAERN c1cc2c(ncnc2N2CCC[C@H]2c2nc3c([nH]2)CCCC3)s1 ZINC000275689222 1018156358 /nfs/dbraw/zinc/15/63/58/1018156358.db2.gz QTMVMWHHDIDMPS-AWEZNQCLSA-N 0 0 325.441 3.635 10 0 EHAERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccoc1C(F)(F)F ZINC000291771407 1019651090 /nfs/dbraw/zinc/65/10/90/1019651090.db2.gz BTJKEIBTPGSYGN-WWGRRREGSA-N 0 0 345.361 3.844 10 0 EHAERN COc1cc(OC)c(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1F ZINC000333508782 1019808852 /nfs/dbraw/zinc/80/88/52/1019808852.db2.gz LQCXCJMCVFEOCZ-VWQQLOEOSA-N 0 0 348.418 3.743 10 0 EHAERN Cc1c(C(=O)N(C)C2CCC(C)(C)CC2)cccc1N1CCNC1=O ZINC000088288193 1020145483 /nfs/dbraw/zinc/14/54/83/1020145483.db2.gz NLKQNDOZCVNWQU-UHFFFAOYSA-N 0 0 343.471 3.565 10 0 EHAERN COc1cccc2c1CCN(C(=O)/C=C\c1ccnc3ccccc13)C2 ZINC000588422475 1021329538 /nfs/dbraw/zinc/32/95/38/1021329538.db2.gz PTQZLMCCYARLIG-KTKRTIGZSA-N 0 0 344.414 3.842 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000246608810 1022089518 /nfs/dbraw/zinc/08/95/18/1022089518.db2.gz XZGXEWQWCAQJKB-OQMKEHIESA-N 0 0 343.427 3.591 10 0 EHAERN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127932735 1022405110 /nfs/dbraw/zinc/40/51/10/1022405110.db2.gz BJBUJCBRFVBWRR-BLLLJJGKSA-N 0 0 345.336 3.612 10 0 EHAERN CCc1cnc(CCNC(=O)/C(C)=C\c2ccc(OC)c(F)c2)s1 ZINC000588439775 1022446237 /nfs/dbraw/zinc/44/62/37/1022446237.db2.gz ZYOPYOLKJQYKAI-XFXZXTDPSA-N 0 0 348.443 3.615 10 0 EHAERN CCS[C@@H](C)c1noc(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000125639367 1022656835 /nfs/dbraw/zinc/65/68/35/1022656835.db2.gz AEYXNCIYTAAREW-RYUDHWBXSA-N 0 0 338.502 3.720 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCCCOc1ccc(F)cc1 ZINC000588451839 1023021178 /nfs/dbraw/zinc/02/11/78/1023021178.db2.gz DTGQQGQSFPJBNP-KHPPLWFESA-N 0 0 328.387 3.518 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000588453628 1023040516 /nfs/dbraw/zinc/04/05/16/1023040516.db2.gz CFAFVJMJNBVNHD-CMUBDUJZSA-N 0 0 330.815 3.640 10 0 EHAERN COc1cccc(Br)c1OC(=O)/C=C\c1ncccc1C ZINC000588454314 1023059108 /nfs/dbraw/zinc/05/91/08/1023059108.db2.gz PEUGGFJRJNJVDE-HJWRWDBZSA-N 0 0 348.196 3.780 10 0 EHAERN CC/C=C(/C)C(=O)OCc1cc(=O)c(OCc2ccccc2)co1 ZINC000588456622 1023079034 /nfs/dbraw/zinc/07/90/34/1023079034.db2.gz FKPTYZFBVVYFKV-AUWJEWJLSA-N 0 0 328.364 3.618 10 0 EHAERN CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 ZINC000333889129 1023162754 /nfs/dbraw/zinc/16/27/54/1023162754.db2.gz YHQSZAJSQDYZAY-RPWFAHAXSA-N 0 0 341.455 3.853 10 0 EHAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000119506826 1033115849 /nfs/dbraw/zinc/11/58/49/1033115849.db2.gz WLDUBHMIXYJGRC-KURKYZTESA-N 0 0 344.503 3.781 10 0 EHAERN O=C(Nc1cc(Cl)ccc1F)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000080738742 1023280539 /nfs/dbraw/zinc/28/05/39/1023280539.db2.gz GTPLFTDLRMKUPR-DZGCQCFKSA-N 0 0 336.798 3.981 10 0 EHAERN COc1ccccc1/C(C)=C\C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000588479399 1023883375 /nfs/dbraw/zinc/88/33/75/1023883375.db2.gz RRNTVDRUBJEAND-QOHRORDFSA-N 0 0 339.391 3.553 10 0 EHAERN CCC[C@]1(C)NC(=O)N(Cc2ncc(-c3ccccc3Cl)o2)C1=O ZINC000150893239 1023981295 /nfs/dbraw/zinc/98/12/95/1023981295.db2.gz IBSYKMIXKMXOPE-KRWDZBQOSA-N 0 0 347.802 3.606 10 0 EHAERN Cc1cc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)ccc1F ZINC000103025317 1024019046 /nfs/dbraw/zinc/01/90/46/1024019046.db2.gz VXIXEIFAKAOYOW-MEDUHNTESA-N 0 0 326.371 3.981 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000093282489 1024096179 /nfs/dbraw/zinc/09/61/79/1024096179.db2.gz GUELNDMDHGMEPY-MNOVXSKESA-N 0 0 332.370 3.881 10 0 EHAERN Cc1nc(CC(C)C)c(NC(=O)N(C)[C@@H](C)c2cnn(C)c2)s1 ZINC000182501093 1024104921 /nfs/dbraw/zinc/10/49/21/1024104921.db2.gz VYNMRHYXLIAUOG-NSHDSACASA-N 0 0 335.477 3.608 10 0 EHAERN O=C(Nc1ncn(C2CCCCC2)n1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000182675546 1024120270 /nfs/dbraw/zinc/12/02/70/1024120270.db2.gz KGWZNIJZPKHYDX-ZIAGYGMSSA-N 0 0 346.381 3.804 10 0 EHAERN O=C(CSCc1cscn1)N1CC=C(c2cccs2)CC1 ZINC000151428393 1024122194 /nfs/dbraw/zinc/12/21/94/1024122194.db2.gz VHZHXTUCWNSZFL-UHFFFAOYSA-N 0 0 336.507 3.754 10 0 EHAERN Cc1ccc2cc(C(=O)Nc3cccc(-c4ncon4)c3)ccc2n1 ZINC000151530745 1024155276 /nfs/dbraw/zinc/15/52/76/1024155276.db2.gz IZZHJFWNOZEWRK-UHFFFAOYSA-N 0 0 330.347 3.846 10 0 EHAERN C[C@H]1C[C@H](c2noc(-c3cnc4c(c3)NC(=O)CO4)n2)C[C@@H](C)C1 ZINC000329737158 1024167007 /nfs/dbraw/zinc/16/70/07/1024167007.db2.gz SXRBSFUNIHIFGY-URLYPYJESA-N 0 0 328.372 3.652 10 0 EHAERN Cc1cc(NC(=O)N2C[C@H]3CCC[C@H]32)ccc1OC1CCOCC1 ZINC000329974983 1024271850 /nfs/dbraw/zinc/27/18/50/1024271850.db2.gz XWPCWDBXCKKFNS-RHSMWYFYSA-N 0 0 330.428 3.569 10 0 EHAERN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000330204232 1024352756 /nfs/dbraw/zinc/35/27/56/1024352756.db2.gz BMCCWLZPZFGILO-NZVBXONLSA-N 0 0 333.819 3.608 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000103249629 1024382174 /nfs/dbraw/zinc/38/21/74/1024382174.db2.gz FBNOADJIIHKCLC-SJLPKXTDSA-N 0 0 345.487 3.871 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3nc4ccccc4s3)CCO2)o1 ZINC000165799009 1024474259 /nfs/dbraw/zinc/47/42/59/1024474259.db2.gz XCFOAVJTXWUQRZ-CQSZACIVSA-N 0 0 343.408 3.803 10 0 EHAERN COc1cccc(C)c1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000195012430 1024481072 /nfs/dbraw/zinc/48/10/72/1024481072.db2.gz ZQXHKKLCLOFCGI-CABCVRRESA-N 0 0 328.416 3.506 10 0 EHAERN CCc1csc([C@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)n1 ZINC000113205229 1024870099 /nfs/dbraw/zinc/87/00/99/1024870099.db2.gz YJGIONLMAZGPQZ-HNNXBMFYSA-N 0 0 328.437 3.538 10 0 EHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000280865540 1025123593 /nfs/dbraw/zinc/12/35/93/1025123593.db2.gz ACWXXXACHAMCDS-UAFMIMERSA-N 0 0 342.483 3.789 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NC1CCCCCCC1 ZINC000152054666 1025130222 /nfs/dbraw/zinc/13/02/22/1025130222.db2.gz PLYQBZZRTJWVSH-OAHLLOKOSA-N 0 0 333.480 3.649 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)c3ccccc32)cs1 ZINC000284948899 1025213495 /nfs/dbraw/zinc/21/34/95/1025213495.db2.gz OODYEOXXIDDQMX-WBVHZDCISA-N 0 0 340.448 3.875 10 0 EHAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCO[C@H](C2CCCCC2)C1 ZINC000329443120 1025856563 /nfs/dbraw/zinc/85/65/63/1025856563.db2.gz NIURXDGNMRJSLN-AEFFLSMTSA-N 0 0 342.439 3.570 10 0 EHAERN CCOc1cc(/C=C\C(=O)N2Cc3ccccc3C3(CC3)C2)ccc1O ZINC000588513507 1025893000 /nfs/dbraw/zinc/89/30/00/1025893000.db2.gz FONJCBVEKFZVRC-NTMALXAHSA-N 0 0 349.430 3.878 10 0 EHAERN Cc1sc2[nH]c(Cc3noc([C@H]4CCC[C@H]4C)n3)nc(=O)c2c1C ZINC000329571399 1026022661 /nfs/dbraw/zinc/02/26/61/1026022661.db2.gz MQIVTWJHDCXJTC-KCJUWKMLSA-N 0 0 344.440 3.891 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000121917000 1026040430 /nfs/dbraw/zinc/04/04/30/1026040430.db2.gz JISGOFZSBRIEKV-QKCSRTOESA-N 0 0 328.239 3.593 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C(C)=O)cc3)C2)cc1 ZINC000121946019 1026054843 /nfs/dbraw/zinc/05/48/43/1026054843.db2.gz BRCYGXPWGMSMPM-AUUYWEPGSA-N 0 0 337.419 3.916 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)Cc1cccs1 ZINC000103853999 1026118557 /nfs/dbraw/zinc/11/85/57/1026118557.db2.gz YMZHXRXOEFOYIN-CQSZACIVSA-N 0 0 332.469 3.572 10 0 EHAERN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c(OC[C@@H]2CCCO2)c1 ZINC000122071714 1026173474 /nfs/dbraw/zinc/17/34/74/1026173474.db2.gz HJXZHLCKRYHGJP-HRCADAONSA-N 0 0 341.407 3.888 10 0 EHAERN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000122087234 1026178443 /nfs/dbraw/zinc/17/84/43/1026178443.db2.gz UGWZYPCCWCBEBE-GJZGRUSLSA-N 0 0 326.396 3.504 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3nc(C)cs3)C2)cc1 ZINC000122123126 1026247829 /nfs/dbraw/zinc/24/78/29/1026247829.db2.gz BVGTWRPMIMDGTJ-DZGCQCFKSA-N 0 0 345.468 3.548 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)nc3)C2)cc1 ZINC000122178076 1026261094 /nfs/dbraw/zinc/26/10/94/1026261094.db2.gz AJJRNQSQMALTQL-DOMZBBRYSA-N 0 0 330.815 3.762 10 0 EHAERN C/C(=C/C(=O)N1CCC(=O)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000588532443 1026713287 /nfs/dbraw/zinc/71/32/87/1026713287.db2.gz IGYUFNLNWVOEJU-UCQJPZFISA-N 0 0 325.330 3.546 10 0 EHAERN CCCc1nc([C@H](Nc2cc(Cl)nc(C)n2)c2ccccc2)no1 ZINC000301672871 1026895107 /nfs/dbraw/zinc/89/51/07/1026895107.db2.gz OYZUXMRKOWXLPX-MRXNPFEDSA-N 0 0 343.818 3.975 10 0 EHAERN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1nc(-c2cccnc2)no1 ZINC000123436135 1027306613 /nfs/dbraw/zinc/30/66/13/1027306613.db2.gz QUDGPGRVXNPWJU-NWDGAFQWSA-N 0 0 342.374 3.691 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)o1 ZINC000127480017 1027311429 /nfs/dbraw/zinc/31/14/29/1027311429.db2.gz ZUTYPCSEANZUOP-LJQANCHMSA-N 0 0 338.407 3.900 10 0 EHAERN CN(C)C(=O)c1cccc(CN2CC=C(c3ccccc3F)CC2)c1 ZINC000127554964 1027324872 /nfs/dbraw/zinc/32/48/72/1027324872.db2.gz BFEVQXJRGGDQEO-UHFFFAOYSA-N 0 0 338.426 3.817 10 0 EHAERN CCCC[C@H](CC)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000127838465 1027362818 /nfs/dbraw/zinc/36/28/18/1027362818.db2.gz VJSCZBXNRAYGQE-KRWDZBQOSA-N 0 0 336.520 3.844 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)c2cccnc12 ZINC000246095753 1027719983 /nfs/dbraw/zinc/71/99/83/1027719983.db2.gz MIHHPTWTWZFENH-IAOVAPTHSA-N 0 0 342.826 3.576 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)n1 ZINC000588548199 1027782624 /nfs/dbraw/zinc/78/26/24/1027782624.db2.gz SNCNZBZJTMYJNX-FPLPWBNLSA-N 0 0 347.198 3.940 10 0 EHAERN CC[C@H](CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(OC)cc1 ZINC000246183575 1027900602 /nfs/dbraw/zinc/90/06/02/1027900602.db2.gz SQKIZBMFHHDDKN-SJFSSXKUSA-N 0 0 343.467 3.653 10 0 EHAERN Cn1cc(CCC(=O)Nc2cccc(-c3ncon3)c2)c2ccccc21 ZINC000132352280 1027912020 /nfs/dbraw/zinc/91/20/20/1027912020.db2.gz AXYBQAGEGWLBRT-UHFFFAOYSA-N 0 0 346.390 3.800 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)Cc3ccccc3F)CCO2)o1 ZINC000133339465 1028019998 /nfs/dbraw/zinc/01/99/98/1028019998.db2.gz RXWPEEVSCDSZFZ-SCLBCKFNSA-N 0 0 331.387 3.506 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3SCCc4sccc43)CCO2)o1 ZINC000133347277 1028021289 /nfs/dbraw/zinc/02/12/89/1028021289.db2.gz PCYXPUXVKFBKQV-HOCLYGCPSA-N 0 0 349.477 3.580 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3ccc(Cl)s3)CCO2)o1 ZINC000133407366 1028030099 /nfs/dbraw/zinc/03/00/99/1028030099.db2.gz USSIUWIMYYXXDQ-AWEZNQCLSA-N 0 0 339.844 3.836 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)s1 ZINC000246238459 1028052283 /nfs/dbraw/zinc/05/22/83/1028052283.db2.gz GFVDDDBNHLQRMD-JXXFODFXSA-N 0 0 339.460 3.722 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3cccc(OC(C)C)c3)CCO2)o1 ZINC000133720667 1028060162 /nfs/dbraw/zinc/06/01/62/1028060162.db2.gz UJLQAKYCSIHBEM-LJQANCHMSA-N 0 0 343.423 3.518 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCc3ccc(C)cc3C)CCO2)o1 ZINC000133760340 1028062793 /nfs/dbraw/zinc/06/27/93/1028062793.db2.gz SALHFODJLQXZKQ-LJQANCHMSA-N 0 0 327.424 3.738 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CCO2)o1 ZINC000134035165 1028087845 /nfs/dbraw/zinc/08/78/45/1028087845.db2.gz VPFMLGDFUJRIAF-DCGLDWPTSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccccc3OCC3CC3)CCO2)o1 ZINC000134039502 1028090130 /nfs/dbraw/zinc/09/01/30/1028090130.db2.gz RQKCFBUIAZBCLY-LJQANCHMSA-N 0 0 341.407 3.591 10 0 EHAERN COc1ccccc1[C@H](NC(=O)N[C@H](C)CC1CC1)c1ccccn1 ZINC000134234403 1028105484 /nfs/dbraw/zinc/10/54/84/1028105484.db2.gz IOACLWFKRFIGRR-KUHUBIRLSA-N 0 0 339.439 3.667 10 0 EHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246368329 1028289515 /nfs/dbraw/zinc/28/95/15/1028289515.db2.gz HBQJQCKACVEJES-QXCZDIPSSA-N 0 0 331.431 3.676 10 0 EHAERN Cc1nnc(-c2ccccc2C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)o1 ZINC000246377915 1028299344 /nfs/dbraw/zinc/29/93/44/1028299344.db2.gz OMJFQUMAUOEXLC-IPMKNSEASA-N 0 0 345.402 3.503 10 0 EHAERN CC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 ZINC000055967544 1028301858 /nfs/dbraw/zinc/30/18/58/1028301858.db2.gz QZRQTQKEOLEAKM-CHWSQXEVSA-N 0 0 332.400 3.581 10 0 EHAERN O=C(Nc1cccc(C(F)F)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137311503 1028308609 /nfs/dbraw/zinc/30/86/09/1028308609.db2.gz LVUZTXFYTXESHC-OAHLLOKOSA-N 0 0 333.338 3.704 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1CCCc2sccc21 ZINC000137373352 1028309760 /nfs/dbraw/zinc/30/97/60/1028309760.db2.gz ICYAWWCMWXJKDM-LRDDRELGSA-N 0 0 329.421 3.522 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3cc(C)cc(C)c3)CC2)n1 ZINC000062130831 1028440863 /nfs/dbraw/zinc/44/08/63/1028440863.db2.gz DBQSOCOREOWFFO-UHFFFAOYSA-N 0 0 325.456 3.669 10 0 EHAERN C[C@@H]1CCC[C@@H](OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000070674241 1028458757 /nfs/dbraw/zinc/45/87/57/1028458757.db2.gz XKPBDRYNOVOJHX-RDTXWAMCSA-N 0 0 347.430 3.800 10 0 EHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1cccc(-n2cccn2)c1 ZINC000073204571 1028545332 /nfs/dbraw/zinc/54/53/32/1028545332.db2.gz SZLDPUVHCDQWTO-AUSJPIAWSA-N 0 0 347.418 3.614 10 0 EHAERN O=C(CCCc1nc2ccccc2s1)N[C@H]1COc2ccccc21 ZINC000194857866 1028553906 /nfs/dbraw/zinc/55/39/06/1028553906.db2.gz DXBNZPLTMYAWPE-HNNXBMFYSA-N 0 0 338.432 3.869 10 0 EHAERN C[C@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1cccnc1 ZINC000073525119 1028561437 /nfs/dbraw/zinc/56/14/37/1028561437.db2.gz OQAKHLSOPLRTRA-AWEZNQCLSA-N 0 0 342.418 3.568 10 0 EHAERN C[C@H](CC1CC1)NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000073616838 1028564179 /nfs/dbraw/zinc/56/41/79/1028564179.db2.gz NJRMMEBWQVKGGF-LLVKDONJSA-N 0 0 333.819 3.627 10 0 EHAERN c1csc([C@H]2CCCN(Cc3nc(-c4ccsc4)no3)C2)n1 ZINC000195348197 1028636470 /nfs/dbraw/zinc/63/64/70/1028636470.db2.gz MGZJSIDGXOOTTI-NSHDSACASA-N 0 0 332.454 3.634 10 0 EHAERN CC(C)c1noc([C@H](C)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000246509252 1028641333 /nfs/dbraw/zinc/64/13/33/1028641333.db2.gz ICCKBYVOLGMYED-JQFCIGGWSA-N 0 0 347.434 3.981 10 0 EHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[C@H]2CSCCS2)C1 ZINC000246572677 1028659697 /nfs/dbraw/zinc/65/96/97/1028659697.db2.gz FOWXDUUYMYVJBZ-UHOFOFEASA-N 0 0 339.501 3.974 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@H]2CSCCS2)[C@H](c2ccco2)C1 ZINC000246650485 1028672338 /nfs/dbraw/zinc/67/23/38/1028672338.db2.gz KCKANYWOMWPPCZ-RDBSUJKOSA-N 0 0 325.499 3.818 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246706683 1028680470 /nfs/dbraw/zinc/68/04/70/1028680470.db2.gz NFGOCJXAGAIGBJ-HFBAOOFYSA-N 0 0 332.831 3.673 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000246764823 1028690128 /nfs/dbraw/zinc/69/01/28/1028690128.db2.gz UHKABNOAZLUASI-YXMPFFBPSA-N 0 0 327.346 3.788 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)CCO1 ZINC000248424403 1028898440 /nfs/dbraw/zinc/89/84/40/1028898440.db2.gz ZXXNWOAIRCVDIH-XMTFNYHQSA-N 0 0 349.471 3.680 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248645933 1028933531 /nfs/dbraw/zinc/93/35/31/1028933531.db2.gz OVPAJOFDDBYHBR-OHNRDTAOSA-N 0 0 346.446 3.562 10 0 EHAERN CN(Cc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245682995 1029000796 /nfs/dbraw/zinc/00/07/96/1029000796.db2.gz KJHVKXHHRMARGZ-MAZHCROVSA-N 0 0 340.826 3.578 10 0 EHAERN Cc1ccsc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245694984 1029024903 /nfs/dbraw/zinc/02/49/03/1029024903.db2.gz PNOLWFCBQPYJSU-CABCVRRESA-N 0 0 336.407 3.510 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@@H]1c1ccccc1 ZINC000077854781 1029163640 /nfs/dbraw/zinc/16/36/40/1029163640.db2.gz OUJCVCBNVIVLGX-WOJBJXKFSA-N 0 0 338.451 3.699 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3c(C)noc3C)C2)cc1 ZINC000078187802 1029240419 /nfs/dbraw/zinc/24/04/19/1029240419.db2.gz VXKDLMCQXCOKEB-SUMWQHHRSA-N 0 0 342.439 3.637 10 0 EHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2noc3c2CCCCC3)C12CCCC2 ZINC000154276006 1029431863 /nfs/dbraw/zinc/43/18/63/1029431863.db2.gz JYMYDEAUBAZHHO-IRXDYDNUSA-N 0 0 346.471 3.753 10 0 EHAERN CC(C)[C@@H](C)N(C(=O)NC1CCN(c2cccs2)CC1)C1CC1 ZINC000155766805 1029653780 /nfs/dbraw/zinc/65/37/80/1029653780.db2.gz UQHUSHOEZUBRQI-CQSZACIVSA-N 0 0 335.517 3.935 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114806561 1029835107 /nfs/dbraw/zinc/83/51/07/1029835107.db2.gz YUFDLJAAXFNRNN-CYBMUJFWSA-N 0 0 344.440 3.513 10 0 EHAERN COCCC1(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)CCC1 ZINC000156831652 1030052367 /nfs/dbraw/zinc/05/23/67/1030052367.db2.gz PACMTIKDAJYCIY-WBVHZDCISA-N 0 0 331.456 3.606 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(OC)c3F)C2)cc1 ZINC000090420176 1030112834 /nfs/dbraw/zinc/11/28/34/1030112834.db2.gz ANAZKFQZZDBZCK-DZGCQCFKSA-N 0 0 343.398 3.861 10 0 EHAERN O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1c1ccccc1C(F)(F)F ZINC000194335077 1030457486 /nfs/dbraw/zinc/45/74/86/1030457486.db2.gz CFKHPQNPFFFHLL-OSMZGAPFSA-N 0 0 338.329 3.805 10 0 EHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1c1ccccc1C(F)(F)F ZINC000194335042 1030457807 /nfs/dbraw/zinc/45/78/07/1030457807.db2.gz CFKHPQNPFFFHLL-JKOKRWQUSA-N 0 0 338.329 3.805 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)c3ccc(COC)o3)CC2)cc1 ZINC000092992742 1030547035 /nfs/dbraw/zinc/54/70/35/1030547035.db2.gz DRMXXLNQXARLCQ-UHFFFAOYSA-N 0 0 325.408 3.918 10 0 EHAERN CCOc1cc(CN2CCO[C@H](c3ccc(C)o3)C2)ccc1OC ZINC000093864813 1030686626 /nfs/dbraw/zinc/68/66/26/1030686626.db2.gz LUOSWXHMYBBOLD-IBGZPJMESA-N 0 0 331.412 3.569 10 0 EHAERN c1cn2cc(CN3CCC(c4nc5ccccc5o4)CC3)nc2s1 ZINC000171074790 1030760266 /nfs/dbraw/zinc/76/02/66/1030760266.db2.gz UGKQNXRVLPGAJM-UHFFFAOYSA-N 0 0 338.436 3.917 10 0 EHAERN O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000171645087 1030772934 /nfs/dbraw/zinc/77/29/34/1030772934.db2.gz RGYYKQRXFARZLM-MRXNPFEDSA-N 0 0 337.448 3.954 10 0 EHAERN Cc1ccccc1CCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000172194035 1030845696 /nfs/dbraw/zinc/84/56/96/1030845696.db2.gz CEFZTUQRRNVPEX-INIZCTEOSA-N 0 0 329.469 3.583 10 0 EHAERN CC(C)(C(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(F)c1 ZINC000172513251 1030969823 /nfs/dbraw/zinc/96/98/23/1030969823.db2.gz AZRNJCYPQGCMIO-CYBMUJFWSA-N 0 0 332.444 3.966 10 0 EHAERN C[C@@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1cccnc1 ZINC000173641251 1031124727 /nfs/dbraw/zinc/12/47/27/1031124727.db2.gz NWWXJTYOUUZHSE-CQSZACIVSA-N 0 0 335.407 3.733 10 0 EHAERN O=C(c1ccc(Cl)nc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174075777 1031163562 /nfs/dbraw/zinc/16/35/62/1031163562.db2.gz LNZLBHVZBWEVTA-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN Cc1c(Cl)cc(NC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1Cl ZINC000251691305 1031195157 /nfs/dbraw/zinc/19/51/57/1031195157.db2.gz JLLHIWSYCMCVPY-ZLKJLUDKSA-N 0 0 329.227 3.991 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3c(C)cccc3C)CC2)nc1 ZINC000174490836 1031223904 /nfs/dbraw/zinc/22/39/04/1031223904.db2.gz AIIYNYMQCZXCII-UHFFFAOYSA-N 0 0 338.455 3.797 10 0 EHAERN CC[C@H](C)[C@H](C)N(C(=O)NCC[C@@H]1c2ccccc2NC1=O)C1CC1 ZINC000175192093 1031311562 /nfs/dbraw/zinc/31/15/62/1031311562.db2.gz JZZDDEPQMJGJFF-GRDNDAEWSA-N 0 0 343.471 3.721 10 0 EHAERN O=C(c1ncncc1Cl)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000175299289 1031322663 /nfs/dbraw/zinc/32/26/63/1031322663.db2.gz RXVQXVSSUOYZQG-KRWDZBQOSA-N 0 0 349.821 3.918 10 0 EHAERN COC[C@@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(C)o1 ZINC000175662189 1031326216 /nfs/dbraw/zinc/32/62/16/1031326216.db2.gz SHESVTYSAUENHG-GOSISDBHSA-N 0 0 340.423 3.774 10 0 EHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000175438351 1031334069 /nfs/dbraw/zinc/33/40/69/1031334069.db2.gz NUPFUDSPXJNTNQ-QEEYODRMSA-N 0 0 347.418 3.614 10 0 EHAERN Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3nccs3)c2)n1 ZINC000158588676 1031458935 /nfs/dbraw/zinc/45/89/35/1031458935.db2.gz CUXBBHPESAVPDH-NSHDSACASA-N 0 0 328.397 3.989 10 0 EHAERN CCN(C(=O)NC1CCN(c2cccc(C)n2)CC1)C1CCCCC1 ZINC000117057187 1031545814 /nfs/dbraw/zinc/54/58/14/1031545814.db2.gz NXDMQOBISZTQMY-UHFFFAOYSA-N 0 0 344.503 3.723 10 0 EHAERN O=C(CCc1ccc(F)cc1F)N1CCC(Cc2ccccn2)CC1 ZINC000178551226 1031677548 /nfs/dbraw/zinc/67/75/48/1031677548.db2.gz PYNOMAQGGXMXHA-UHFFFAOYSA-N 0 0 344.405 3.774 10 0 EHAERN Cc1cc(F)cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000178796454 1031704171 /nfs/dbraw/zinc/70/41/71/1031704171.db2.gz PEJCZBNZWKBISW-UHFFFAOYSA-N 0 0 346.427 3.687 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NCc3cccc(Cl)c3)CCO2)o1 ZINC000179037166 1031728621 /nfs/dbraw/zinc/72/86/21/1031728621.db2.gz WNSPOICCSIKZMV-MRXNPFEDSA-N 0 0 334.803 3.525 10 0 EHAERN COc1cc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(OC)cc1Cl ZINC000117573402 1031757044 /nfs/dbraw/zinc/75/70/44/1031757044.db2.gz PQDIBILDZLWEQF-BTDLBPIBSA-N 0 0 347.798 3.860 10 0 EHAERN O=C(/C=C/c1ccnc(Cl)c1)N1CCC(Cc2ccccn2)CC1 ZINC000179232784 1031760494 /nfs/dbraw/zinc/76/04/94/1031760494.db2.gz BSCCZKUBOJDNRE-SNAWJCMRSA-N 0 0 341.842 3.625 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCC[C@@H]1c1ccncc1 ZINC000179509251 1031781368 /nfs/dbraw/zinc/78/13/68/1031781368.db2.gz HIJIKLCKEXMDRN-QGZVFWFLSA-N 0 0 333.395 3.841 10 0 EHAERN O=C(C[C@@H]1CCOc2ccccc21)NCC(=O)c1ccc(Cl)cc1 ZINC000179556276 1031785410 /nfs/dbraw/zinc/78/54/10/1031785410.db2.gz UXEJRJXSAPUFAH-AWEZNQCLSA-N 0 0 343.810 3.595 10 0 EHAERN COc1c(C)cc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1C ZINC000180081569 1031840458 /nfs/dbraw/zinc/84/04/58/1031840458.db2.gz WQYVQWGCUOHVLH-UHFFFAOYSA-N 0 0 338.451 3.802 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000117758403 1031849193 /nfs/dbraw/zinc/84/91/93/1031849193.db2.gz ZCEOWNURMNNVMQ-XIKOKIGWSA-N 0 0 337.375 3.505 10 0 EHAERN Cc1ccc([C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3C)CCO2)o1 ZINC000159085344 1031865637 /nfs/dbraw/zinc/86/56/37/1031865637.db2.gz XOOUZEKTHPXQID-KRWDZBQOSA-N 0 0 348.830 3.562 10 0 EHAERN Clc1cccc([C@@H]2C[C@@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000329704225 1031892027 /nfs/dbraw/zinc/89/20/27/1031892027.db2.gz IQTMMDWAFBHOIJ-VGWMRTNUSA-N 0 0 345.830 3.530 10 0 EHAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)Nc3ccc(C)cc3C)CCO2)o1 ZINC000159165900 1031918400 /nfs/dbraw/zinc/91/84/00/1031918400.db2.gz WKNQSHMVDSPYOR-APWZRJJASA-N 0 0 342.439 3.605 10 0 EHAERN Cc1ccc(C[C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(C)c1 ZINC000246860718 1033412482 /nfs/dbraw/zinc/41/24/82/1033412482.db2.gz BYVPVVGEZKPOLG-CUWPLCDZSA-N 0 0 344.499 3.571 10 0 EHAERN Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)CC(=O)NC(C)(C)C ZINC000105662928 1033503713 /nfs/dbraw/zinc/50/37/13/1033503713.db2.gz ANZWEPXFGZYSMW-QHCPKHFHSA-N 0 0 337.529 3.764 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3c(C)noc3Cl)C2)cc1 ZINC000121294058 1034638938 /nfs/dbraw/zinc/63/89/38/1034638938.db2.gz HOLATAWBIDADJR-SMDDNHRTSA-N 0 0 348.830 3.592 10 0 EHAERN Fc1ccccc1C1=CCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000185554640 1035494816 /nfs/dbraw/zinc/49/48/16/1035494816.db2.gz HRTNHHDCIZYORL-UHFFFAOYSA-N 0 0 339.336 3.874 10 0 EHAERN CCC1(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCCC1 ZINC000185605964 1035501815 /nfs/dbraw/zinc/50/18/15/1035501815.db2.gz UMQBOUXJMOXAHE-UHFFFAOYSA-N 0 0 348.531 3.988 10 0 EHAERN C[C@@H](CC(=O)Nc1ccccc1)NCc1ncc(-c2ccccc2)cn1 ZINC000185867092 1035551298 /nfs/dbraw/zinc/55/12/98/1035551298.db2.gz IBFRCVSSRDSNNG-INIZCTEOSA-N 0 0 346.434 3.651 10 0 EHAERN Cc1cc2cc(C(=O)N3CCCN(c4ccccn4)CC3)oc2cc1C ZINC000186445903 1035635955 /nfs/dbraw/zinc/63/59/55/1035635955.db2.gz GXSUTIKLPNUPMD-UHFFFAOYSA-N 0 0 349.434 3.797 10 0 EHAERN COc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c(OC)c1 ZINC000186539117 1035658000 /nfs/dbraw/zinc/65/80/00/1035658000.db2.gz AKQVWVQSWRQPKM-GFCCVEGCSA-N 0 0 341.411 3.854 10 0 EHAERN CC[C@]1(C)CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186636997 1035674926 /nfs/dbraw/zinc/67/49/26/1035674926.db2.gz ISSFDAXQNFNNTG-GOSISDBHSA-N 0 0 330.432 3.708 10 0 EHAERN CC[C@@]1(C)CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186637021 1035676071 /nfs/dbraw/zinc/67/60/71/1035676071.db2.gz ISSFDAXQNFNNTG-SFHVURJKSA-N 0 0 330.432 3.708 10 0 EHAERN C[C@@H]1C[C@H](C)CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186677494 1035685254 /nfs/dbraw/zinc/68/52/54/1035685254.db2.gz MPNITYXRYZOMQL-CHWSQXEVSA-N 0 0 330.432 3.564 10 0 EHAERN COc1ccc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000000514508 1035705438 /nfs/dbraw/zinc/70/54/38/1035705438.db2.gz RXSYPYRBKCVGKD-LLVKDONJSA-N 0 0 328.393 3.711 10 0 EHAERN O=C(CCN1CCO[C@@H](c2ccccc2F)C1)c1ccc(F)cc1F ZINC000186932003 1035725309 /nfs/dbraw/zinc/72/53/09/1035725309.db2.gz ZGPJHPHZUMZCEG-LJQANCHMSA-N 0 0 349.352 3.750 10 0 EHAERN CSc1ccccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188351906 1035916355 /nfs/dbraw/zinc/91/63/55/1035916355.db2.gz OSULHXISDXFHOM-UHFFFAOYSA-N 0 0 348.497 3.973 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(-c2ccc(F)cc2)cc1F ZINC000188510524 1035945103 /nfs/dbraw/zinc/94/51/03/1035945103.db2.gz OHIYPQYOMOCDCD-BHIYHBOVSA-N 0 0 343.373 3.929 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1ccccc1F ZINC000188586641 1035951668 /nfs/dbraw/zinc/95/16/68/1035951668.db2.gz LECCBOWSBKTPKU-KRWDZBQOSA-N 0 0 328.387 3.799 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000188706409 1035956756 /nfs/dbraw/zinc/95/67/56/1035956756.db2.gz UCIXCFQERDQXBK-KRWDZBQOSA-N 0 0 331.456 3.624 10 0 EHAERN c1c[nH]c([C@@H](N[C@H](c2nccs2)c2ccccc2)c2ccncc2)n1 ZINC000189099572 1036015037 /nfs/dbraw/zinc/01/50/37/1036015037.db2.gz RSRNCPCGWHWIKQ-IRXDYDNUSA-N 0 0 347.447 3.730 10 0 EHAERN Cc1csc([C@H]2COCCN2c2nc(C)nc3scc(C)c32)n1 ZINC000189133740 1036019189 /nfs/dbraw/zinc/01/91/89/1036019189.db2.gz VUHPKWOATFDIOP-GFCCVEGCSA-N 0 0 346.481 3.651 10 0 EHAERN COc1ccc([C@H]2CCCCCN2C(=O)Nc2cn(C)nc2C)cc1 ZINC000189682425 1036114453 /nfs/dbraw/zinc/11/44/53/1036114453.db2.gz KBWWOICSQYSSDL-GOSISDBHSA-N 0 0 342.443 3.886 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000189699378 1036116695 /nfs/dbraw/zinc/11/66/95/1036116695.db2.gz DVWMXBRBNAQFQJ-UHFFFAOYSA-N 0 0 340.471 3.914 10 0 EHAERN Cc1nc(Cl)ccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189789669 1036128711 /nfs/dbraw/zinc/12/87/11/1036128711.db2.gz NLWMILBBVRAHQI-UHFFFAOYSA-N 0 0 342.826 3.752 10 0 EHAERN COC(=O)c1cc(F)ccc1CN1CCC[C@H]1c1csc(C)n1 ZINC000189795845 1036129012 /nfs/dbraw/zinc/12/90/12/1036129012.db2.gz INXPUGLTDQXYNA-INIZCTEOSA-N 0 0 334.416 3.714 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2c(C)cc(Cl)cc2C)C1 ZINC000190158930 1036200747 /nfs/dbraw/zinc/20/07/47/1036200747.db2.gz FQARMWUUFTVQRF-GDBMZVCRSA-N 0 0 335.835 3.610 10 0 EHAERN C/C(=C\C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190404813 1036235343 /nfs/dbraw/zinc/23/53/43/1036235343.db2.gz CPTYMKFOHJLBJL-BUHFOSPRSA-N 0 0 327.453 3.650 10 0 EHAERN CSc1ccsc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190433908 1036241098 /nfs/dbraw/zinc/24/10/98/1036241098.db2.gz NFPWJPPFVUJIDY-UHFFFAOYSA-N 0 0 339.511 3.643 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCC(=O)c1ccc(F)cc1 ZINC000190654678 1036270019 /nfs/dbraw/zinc/27/00/19/1036270019.db2.gz WINZRUMWWYHGHW-KRWDZBQOSA-N 0 0 341.382 3.737 10 0 EHAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191208768 1036346804 /nfs/dbraw/zinc/34/68/04/1036346804.db2.gz NJVNPORFMPCTRB-GXTWGEPZSA-N 0 0 345.393 3.514 10 0 EHAERN C[C@@H](C(=O)Nc1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000192287848 1036492829 /nfs/dbraw/zinc/49/28/29/1036492829.db2.gz MOXCIHKTQPIIKI-INIZCTEOSA-N 0 0 336.435 3.582 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(-n4cccn4)cc3)c21 ZINC000103129629 1036846451 /nfs/dbraw/zinc/84/64/51/1036846451.db2.gz PALINZNBDFLWNK-UHFFFAOYSA-N 0 0 344.418 3.635 10 0 EHAERN CCOCCOCC(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000104484410 1037050798 /nfs/dbraw/zinc/05/07/98/1037050798.db2.gz PYPVUASAQUWRAQ-UHFFFAOYSA-N 0 0 331.865 3.832 10 0 EHAERN c1csc([C@@H](NCc2nc(-c3ccoc3)no2)c2ccccc2)n1 ZINC000105607311 1037202056 /nfs/dbraw/zinc/20/20/56/1037202056.db2.gz FIELVQHOLMTSSX-HNNXBMFYSA-N 0 0 338.392 3.665 10 0 EHAERN c1csc(Cc2nnc(SCc3nc(-c4ccoc4)no3)o2)c1 ZINC000105573714 1037213945 /nfs/dbraw/zinc/21/39/45/1037213945.db2.gz SNXFSWVMTWAJQQ-UHFFFAOYSA-N 0 0 346.393 3.657 10 0 EHAERN C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1nccs1 ZINC000105999047 1037292066 /nfs/dbraw/zinc/29/20/66/1037292066.db2.gz DEVCGOAXWWGOTK-JTQLQIEISA-N 0 0 347.440 3.826 10 0 EHAERN CC(C)(C)c1csc(CCNC(=O)c2cccc3ncccc32)n1 ZINC000104577583 1037306659 /nfs/dbraw/zinc/30/66/59/1037306659.db2.gz OYFGVKDIHNUCEW-UHFFFAOYSA-N 0 0 339.464 3.961 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1nnc(-c2ccccc2)o1 ZINC000105403876 1037601667 /nfs/dbraw/zinc/60/16/67/1037601667.db2.gz MLLLDPUCFMBORT-ZDUSSCGKSA-N 0 0 348.406 3.819 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c2ccccc21 ZINC000153199813 1037705709 /nfs/dbraw/zinc/70/57/09/1037705709.db2.gz UPEJRQRBSWDVMU-XCXWGBRNSA-N 0 0 336.435 3.583 10 0 EHAERN CN1CC[C@@H](CNC(=O)C(C)(C)c2cccs2)c2ccccc21 ZINC000115039688 1037815616 /nfs/dbraw/zinc/81/56/16/1037815616.db2.gz ZSEUTYOAIOLRJU-AWEZNQCLSA-N 0 0 328.481 3.766 10 0 EHAERN Cc1ncc(CN(C)C(=O)Nc2c[nH]nc2-c2ccccc2)s1 ZINC000179498367 1037816455 /nfs/dbraw/zinc/81/64/55/1037816455.db2.gz FYPRWDQIRYQNIG-UHFFFAOYSA-N 0 0 327.413 3.506 10 0 EHAERN Cc1ccc(C)c(NC(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000116995783 1037846803 /nfs/dbraw/zinc/84/68/03/1037846803.db2.gz YIZYNNJUEYPEHQ-UHFFFAOYSA-N 0 0 338.455 3.797 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000117652697 1037858078 /nfs/dbraw/zinc/85/80/78/1037858078.db2.gz ITEMYJMFTBVFKS-SJKOYZFVSA-N 0 0 344.480 3.664 10 0 EHAERN CC(=O)c1cccc(OCC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117719678 1037860107 /nfs/dbraw/zinc/86/01/07/1037860107.db2.gz ABGKZCFNZXVDDC-UHFFFAOYSA-N 0 0 341.432 3.645 10 0 EHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCO[C@@H](c2ccco2)C1 ZINC000119212948 1037891426 /nfs/dbraw/zinc/89/14/26/1037891426.db2.gz LMVVQPIPLCALGF-FUHWJXTLSA-N 0 0 344.386 3.579 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NCC(C)(C)c3cccs3)CCO2)o1 ZINC000119492941 1037901562 /nfs/dbraw/zinc/90/15/62/1037901562.db2.gz OLTCGPYAZAUKPR-OAHLLOKOSA-N 0 0 348.468 3.710 10 0 EHAERN Cn1ccnc1CC1CCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000120553071 1037940722 /nfs/dbraw/zinc/94/07/22/1037940722.db2.gz HVEDHJMMYQRVTA-UHFFFAOYSA-N 0 0 332.517 3.629 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](C)c1cc(C)cc(C)c1)CCC2 ZINC000332681236 1037950014 /nfs/dbraw/zinc/95/00/14/1037950014.db2.gz IJGPAXZUAMZICE-IAGOWNOFSA-N 0 0 340.471 3.746 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCCC[C@@H]1CC(C)C)CCC2 ZINC000332675381 1037950459 /nfs/dbraw/zinc/95/04/59/1037950459.db2.gz BFUCWCOANYZBLA-IAGOWNOFSA-N 0 0 332.492 3.679 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)[C@H](C)C1CCCCC1)CCC2 ZINC000332741922 1037950766 /nfs/dbraw/zinc/95/07/66/1037950766.db2.gz GVBWPQNPOVNCBM-NVXWUHKLSA-N 0 0 332.492 3.679 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000121320853 1037958400 /nfs/dbraw/zinc/95/84/00/1037958400.db2.gz NKYADWNWEZPJSN-XOBRGWDASA-N 0 0 347.418 3.600 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1cccc(F)c1 ZINC000123934653 1038107417 /nfs/dbraw/zinc/10/74/17/1038107417.db2.gz JPJGSAXLLJHVPH-APWZRJJASA-N 0 0 334.435 3.735 10 0 EHAERN Cn1nccc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000124297762 1038165243 /nfs/dbraw/zinc/16/52/43/1038165243.db2.gz FKEHAAVMVWUCHV-DLBZAZTESA-N 0 0 343.858 3.583 10 0 EHAERN COc1cc(C(=O)Nc2cccc(-c3ncon3)c2)ccc1Cl ZINC000125101056 1038279267 /nfs/dbraw/zinc/27/92/67/1038279267.db2.gz ASWCGBRPKBJURE-UHFFFAOYSA-N 0 0 329.743 3.651 10 0 EHAERN COC(=O)c1sccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000043628322 1038339694 /nfs/dbraw/zinc/33/96/94/1038339694.db2.gz FMHAXCYKYNYHHE-UHFFFAOYSA-N 0 0 342.420 3.856 10 0 EHAERN CN(C)c1nc2ccc(NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)cc2o1 ZINC000125524202 1039187636 /nfs/dbraw/zinc/18/76/36/1039187636.db2.gz UHDVPOVRQGMNDK-BETUJISGSA-N 0 0 328.416 3.548 10 0 EHAERN C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000408414760 1039738859 /nfs/dbraw/zinc/73/88/59/1039738859.db2.gz HDTOBVKHDXEECW-CVEARBPZSA-N 0 0 343.471 3.965 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000408437774 1040146251 /nfs/dbraw/zinc/14/62/51/1040146251.db2.gz ZHRMOXOAMJSSFR-BZUAXINKSA-N 0 0 347.507 3.689 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1CCOC2(CCC2)C1 ZINC000332983687 1040721040 /nfs/dbraw/zinc/72/10/40/1040721040.db2.gz XRGMBXPHTASQOX-JHJVBQTASA-N 0 0 334.382 3.508 10 0 EHAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)OCCCc1cccnc1 ZINC000113011882 1040907578 /nfs/dbraw/zinc/90/75/78/1040907578.db2.gz BHUHPIICDAIIPV-UHFFFAOYSA-N 0 0 340.354 3.594 10 0 EHAERN Cc1cnn([C@H]2CCCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000106225416 1041631796 /nfs/dbraw/zinc/63/17/96/1041631796.db2.gz OSJSAIJZZDBQAG-YOEHRIQHSA-N 0 0 346.862 3.509 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(C)o1 ZINC000408147355 1041800649 /nfs/dbraw/zinc/80/06/49/1041800649.db2.gz DEVQNKULGUYODU-OXXUSNJHSA-N 0 0 334.460 3.683 10 0 EHAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408173059 1042106123 /nfs/dbraw/zinc/10/61/23/1042106123.db2.gz FBNBQWBPXKCJAE-MRBRGOBGSA-N 0 0 342.483 3.645 10 0 EHAERN CC(=O)Nc1cccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000162459277 1042729965 /nfs/dbraw/zinc/72/99/65/1042729965.db2.gz MMSPLEXRUXDKOU-BFUOFWGJSA-N 0 0 349.438 3.512 10 0 EHAERN CC[C@H](N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1OC ZINC000162622483 1042740814 /nfs/dbraw/zinc/74/08/14/1042740814.db2.gz HBIPQPZMYKAVSH-PKOBYXMFSA-N 0 0 336.439 3.952 10 0 EHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000330269411 1042764735 /nfs/dbraw/zinc/76/47/35/1042764735.db2.gz JGJGWHYCZIHPKZ-QFBILLFUSA-N 0 0 344.455 3.898 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)sc1C ZINC000408231656 1042804642 /nfs/dbraw/zinc/80/46/42/1042804642.db2.gz OEKZESKIKXXBMJ-ZDUSSCGKSA-N 0 0 345.468 3.647 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@@](C)(O)CC1 ZINC000408287189 1042971268 /nfs/dbraw/zinc/97/12/68/1042971268.db2.gz PIPIXKHKJQDHLT-FXAWDEMLSA-N 0 0 330.472 3.647 10 0 EHAERN O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408307927 1043008776 /nfs/dbraw/zinc/00/87/76/1043008776.db2.gz UGRWXCNQGPTBBI-AWEZNQCLSA-N 0 0 347.720 3.616 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)cnc1N1CCCC[C@@H]1C ZINC000408333971 1043273008 /nfs/dbraw/zinc/27/30/08/1043273008.db2.gz KDCPWYCIIHJZQV-YQQAZPJKSA-N 0 0 331.460 3.522 10 0 EHAERN CC1(C)CN(C(=O)c2ncoc2[C@@H]2CCCO2)CC[C@@H]1C(F)(F)F ZINC000408342916 1043393606 /nfs/dbraw/zinc/39/36/06/1043393606.db2.gz LXZQRDOPRGUZGK-QWRGUYRKSA-N 0 0 346.349 3.577 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000162712283 1043771235 /nfs/dbraw/zinc/77/12/35/1043771235.db2.gz PBQDJESELCUPSV-UHFFFAOYSA-N 0 0 331.504 3.952 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2O)N1CCCC[C@H]1c1nccs1 ZINC000267091601 1127216952 /nfs/dbraw/zinc/21/69/52/1127216952.db2.gz USQKAMSUKVVCDH-CABCVRRESA-N 0 0 343.452 3.773 10 0 EHAERN CC1(C)C[C@@H](NC(=O)NCC2CCSCC2)c2ccccc2O1 ZINC000268487452 1128548839 /nfs/dbraw/zinc/54/88/39/1128548839.db2.gz QLHXDUUTJXKLKW-OAHLLOKOSA-N 0 0 334.485 3.731 10 0 EHAERN Cc1ccc(/C=C\CC(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000588432902 1129450795 /nfs/dbraw/zinc/45/07/95/1129450795.db2.gz ZMNQPWUVFHYPGC-ARJAWSKDSA-N 0 0 332.407 3.833 10 0 EHAERN O=C(N[C@@H]1CCCc2sccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000282656118 1131134895 /nfs/dbraw/zinc/13/48/95/1131134895.db2.gz PNLJEVLIMGWUSG-YLFCFFPRSA-N 0 0 348.512 3.851 10 0 EHAERN COc1cc(C(=O)OCC(C)(C)C)ccc1OCc1cscn1 ZINC000103701100 1131786311 /nfs/dbraw/zinc/78/63/11/1131786311.db2.gz MFWMOQXZMABHHD-UHFFFAOYSA-N 0 0 335.425 3.934 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N[C@H](C)[C@@H]2CCCO2)s1 ZINC000189478264 1132445833 /nfs/dbraw/zinc/44/58/33/1132445833.db2.gz NBYYTAMAEFZTRJ-OCCSQVGLSA-N 0 0 331.441 3.808 10 0 EHAERN O=C(CCOCC(F)(F)F)O[C@@H](c1ccccc1)c1cccnc1 ZINC000102968377 1132568489 /nfs/dbraw/zinc/56/84/89/1132568489.db2.gz UWWOAMKEBBBFAI-INIZCTEOSA-N 0 0 339.313 3.683 10 0 EHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000103745345 1132798093 /nfs/dbraw/zinc/79/80/93/1132798093.db2.gz STWFISFHQCFJIV-HZMBPMFUSA-N 0 0 329.787 3.582 10 0 EHAERN Cc1nn2cc(CCCOC(=O)CSCCC(C)C)cnc2c1C ZINC000102192341 1135480905 /nfs/dbraw/zinc/48/09/05/1135480905.db2.gz IAYPENQDLQUJTP-UHFFFAOYSA-N 0 0 349.500 3.601 10 0 EHAERN CC(C)(C(=O)OCc1cccnc1)c1cccc(Br)c1 ZINC000102213702 1135491330 /nfs/dbraw/zinc/49/13/30/1135491330.db2.gz PQASEOVSGYZSDT-UHFFFAOYSA-N 0 0 334.213 3.865 10 0 EHAERN Cn1c(SCC(=O)OC[C@H]2CC=CCC2)nnc1-c1cccs1 ZINC000102600631 1135601739 /nfs/dbraw/zinc/60/17/39/1135601739.db2.gz GFCUMGPDZJEDSP-LBPRGKRZSA-N 0 0 349.481 3.535 10 0 EHAERN C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000102778292 1135646799 /nfs/dbraw/zinc/64/67/99/1135646799.db2.gz GWBFOKWDLCBBHU-GFCCVEGCSA-N 0 0 348.422 3.516 10 0 EHAERN Cc1cccc(NC(=O)CSCc2cccc3c2OCCO3)c1 ZINC000105640929 1135959039 /nfs/dbraw/zinc/95/90/39/1135959039.db2.gz SBCFWCKZYOOBLS-UHFFFAOYSA-N 0 0 329.421 3.638 10 0 EHAERN CSc1ccccc1[C@@H](C)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000282838081 1137871793 /nfs/dbraw/zinc/87/17/93/1137871793.db2.gz MXZOGIVKAFSQTG-CLCXKQKWSA-N 0 0 348.512 3.806 10 0 EHAERN CSc1ccccc1[C@@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000282838130 1137871814 /nfs/dbraw/zinc/87/18/14/1137871814.db2.gz MXZOGIVKAFSQTG-ZRGWGRIASA-N 0 0 348.512 3.806 10 0 EHAERN CC1(C)CCCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000102918640 1137874551 /nfs/dbraw/zinc/87/45/51/1137874551.db2.gz MMEYQVFVARLZNH-UHFFFAOYSA-N 0 0 327.403 3.515 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3cncnc3C2)CC1 ZINC000333313787 1138276161 /nfs/dbraw/zinc/27/61/61/1138276161.db2.gz JRLLNUXMPJAXSD-HZPDHXFCSA-N 0 0 330.476 3.539 10 0 EHAERN Cn1cc(C2CCN(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)CC2)cn1 ZINC000333560721 1138303970 /nfs/dbraw/zinc/30/39/70/1138303970.db2.gz WGNKWHDMSDPABP-HKUYNNGSSA-N 0 0 344.503 3.526 10 0 EHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333920640 1138348170 /nfs/dbraw/zinc/34/81/70/1138348170.db2.gz QBLLSGPKUDODBR-ULQDDVLXSA-N 0 0 336.435 3.563 10 0 EHAERN Cc1cc(C)c2c(c1)[C@@H](Nc1cccc3c1CCNC3=O)CCCO2 ZINC000333932835 1138349535 /nfs/dbraw/zinc/34/95/35/1138349535.db2.gz HCTKNNRWJDQNAS-IBGZPJMESA-N 0 0 336.435 3.915 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](O)C23CCCC3)c2ccccc21 ZINC000333986934 1138357675 /nfs/dbraw/zinc/35/76/75/1138357675.db2.gz HEKJYYBOURTGKD-OLMNPRSZSA-N 0 0 328.456 3.714 10 0 EHAERN C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@H]1n1ccnc1 ZINC000334067485 1138367473 /nfs/dbraw/zinc/36/74/73/1138367473.db2.gz DUSORYLVZJRSNT-XGXHKWSGSA-N 0 0 344.503 3.692 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000334117911 1138373023 /nfs/dbraw/zinc/37/30/23/1138373023.db2.gz ITMHLJPMYHOUPW-ODVANORSSA-N 0 0 336.863 3.531 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2c(C)cccc2C)cs1 ZINC000187014182 1140232589 /nfs/dbraw/zinc/23/25/89/1140232589.db2.gz UMXXUIQRBGPRTB-INIZCTEOSA-N 0 0 330.453 3.811 10 0 EHAERN CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2csc(C)n2)ccc1F ZINC000187119780 1140240210 /nfs/dbraw/zinc/24/02/10/1140240210.db2.gz PFPPYQZDEKABBA-INIZCTEOSA-N 0 0 347.415 3.526 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc(Cl)c2Cl)C1 ZINC000190152770 1140389705 /nfs/dbraw/zinc/38/97/05/1140389705.db2.gz VNACBZUJUWHNAN-DGCLKSJQSA-N 0 0 342.226 3.647 10 0 EHAERN COc1cccc([C@H](O)Cc2ccc(F)cc2Br)c1 ZINC000053781295 214198228 /nfs/dbraw/zinc/19/82/28/214198228.db2.gz VKPCIZPSQPNKGO-OAHLLOKOSA-N 0 0 325.177 3.873 10 0 EHAERN Cc1cc(C)c(C(N)=S)c(Nc2cccc(Br)c2)n1 ZINC000104173978 219355924 /nfs/dbraw/zinc/35/59/24/219355924.db2.gz MDJPRODMDRAGDY-UHFFFAOYSA-N 0 0 336.258 3.839 10 0 EHAERN NC(=S)c1nccnc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000104183941 219356997 /nfs/dbraw/zinc/35/69/97/219356997.db2.gz WQDLOAIZOZDZKX-UHFFFAOYSA-N 0 0 333.631 3.815 10 0 EHAERN CCN(Cc1ccc(Br)s1)C(=O)c1cccc(N)c1 ZINC000037800500 202037842 /nfs/dbraw/zinc/03/78/42/202037842.db2.gz TZKTUGKDFVQSOB-UHFFFAOYSA-N 0 0 339.258 3.755 10 0 EHAERN Cc1sc2ncnc(N(C)CCO)c2c1-c1ccc(Cl)cc1 ZINC000020318560 202037877 /nfs/dbraw/zinc/03/78/77/202037877.db2.gz ZROWYTRZZGMKAS-UHFFFAOYSA-N 0 0 333.844 3.749 10 0 EHAERN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(F)cc(F)c3)CC2=O)c1 ZINC000020374034 202040722 /nfs/dbraw/zinc/04/07/22/202040722.db2.gz ZKNNDJSISHHRDQ-CYBMUJFWSA-N 0 0 344.361 3.573 10 0 EHAERN C[C@](NC1CCCCC1)(C(N)=O)c1cc(F)c(Cl)cc1Cl ZINC000037971525 202070592 /nfs/dbraw/zinc/07/05/92/202070592.db2.gz ZIMRMCZOLQWNLE-OAHLLOKOSA-N 0 0 333.234 3.755 10 0 EHAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000022705319 202090159 /nfs/dbraw/zinc/09/01/59/202090159.db2.gz MJRQIUOJZABSPX-SUMWQHHRSA-N 0 0 328.387 3.609 10 0 EHAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000025383391 202131533 /nfs/dbraw/zinc/13/15/33/202131533.db2.gz NXWMDDXKPLQIKA-CXAGYDPISA-N 0 0 328.387 3.609 10 0 EHAERN COc1ccc(NC(=O)/C=C/c2cccs2)cc1N1CCCC1=O ZINC000028041941 202164251 /nfs/dbraw/zinc/16/42/51/202164251.db2.gz KBGYHEUYAKBOGR-VQHVLOKHSA-N 0 0 342.420 3.535 10 0 EHAERN Cc1cccc2c(C)cc(=O)n(CC(=O)Nc3ccc(Cl)cc3)c12 ZINC000032530586 202226672 /nfs/dbraw/zinc/22/66/72/202226672.db2.gz YZAVBWSQQBEHSD-UHFFFAOYSA-N 0 0 340.810 3.910 10 0 EHAERN Cc1ccc(/C=C\C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)o1 ZINC000033316725 202257242 /nfs/dbraw/zinc/25/72/42/202257242.db2.gz BPEFITAPUXTXOI-KTKRTIGZSA-N 0 0 344.436 3.669 10 0 EHAERN COc1cc(-c2nnc(/C=C\c3ccccc3)o2)cc(OC)c1OC ZINC000033757660 202268880 /nfs/dbraw/zinc/26/88/80/202268880.db2.gz GMSLFLJHBCUBOB-KTKRTIGZSA-N 0 0 338.363 3.933 10 0 EHAERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Br)cn1C1CC1 ZINC000036859936 202332844 /nfs/dbraw/zinc/33/28/44/202332844.db2.gz XODFOKBWLDTWPJ-GHMZBOCLSA-N 0 0 325.250 3.989 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000036859954 202333503 /nfs/dbraw/zinc/33/35/03/202333503.db2.gz FJRZJWSIMCDGAA-VXGBXAGGSA-N 0 0 327.266 3.779 10 0 EHAERN Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccccc2Cl)C1=O ZINC000036635504 202328374 /nfs/dbraw/zinc/32/83/74/202328374.db2.gz ZWDJBWCUFOBEPG-HNNXBMFYSA-N 0 0 328.799 3.701 10 0 EHAERN C[C@](Nc1cccc(Br)c1)(C(N)=O)C1CCCCC1 ZINC000037944562 202379583 /nfs/dbraw/zinc/37/95/83/202379583.db2.gz AFCPXCAYHNRDKC-OAHLLOKOSA-N 0 0 325.250 3.685 10 0 EHAERN Cc1nc(Nc2ncnc(Nc3cccnc3Cl)c2N)sc1C ZINC000040783155 202464228 /nfs/dbraw/zinc/46/42/28/202464228.db2.gz KUKUOBIBAHQVHM-UHFFFAOYSA-N 0 0 347.835 3.668 10 0 EHAERN C[C@](C(=O)[O-])(c1ccccc1Br)[NH+]1CCCCCC1 ZINC000041661014 202486092 /nfs/dbraw/zinc/48/60/92/202486092.db2.gz MPYGPKOAJIMUMQ-OAHLLOKOSA-N 0 0 326.234 3.625 10 0 EHAERN COCc1cc(Cl)nc(NCc2ccc(Br)cc2)n1 ZINC000057343559 201139015 /nfs/dbraw/zinc/13/90/15/201139015.db2.gz PWORUWKKURPUJP-UHFFFAOYSA-N 0 0 342.624 3.651 10 0 EHAERN O=C(c1ccccc1OCC1CC1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253623476 201188249 /nfs/dbraw/zinc/18/82/49/201188249.db2.gz VTYVZXSWIIEILY-QRQLOZEOSA-N 0 0 343.467 3.631 10 0 EHAERN CN(Cc1csc(Br)c1)c1ccc(F)cc1CO ZINC000042363025 202494284 /nfs/dbraw/zinc/49/42/84/202494284.db2.gz WLBQEFWBSLOWTC-UHFFFAOYSA-N 0 0 330.222 3.778 10 0 EHAERN O=C(NCc1cccc(-c2cccc(Br)c2)n1)C1CC1 ZINC000090623752 201371857 /nfs/dbraw/zinc/37/18/57/201371857.db2.gz QMBLMSJPKMTIFD-UHFFFAOYSA-N 0 0 331.213 3.537 10 0 EHAERN CC(C)(C)Cc1nnc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)o1 ZINC000023140490 212354690 /nfs/dbraw/zinc/35/46/90/212354690.db2.gz ZCUFIRHGDCLHOO-CQSZACIVSA-N 0 0 348.491 3.880 10 0 EHAERN COCc1nc2cc(C)nn2c(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000211796398 241086059 /nfs/dbraw/zinc/08/60/59/241086059.db2.gz BNEDFCNSYUKIPC-UHFFFAOYSA-N 0 0 337.210 3.740 10 0 EHAERN O=C(N[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1)c1ccccc1 ZINC000001694810 201517287 /nfs/dbraw/zinc/51/72/87/201517287.db2.gz PUVHDYRMHFECEZ-FPOVZHCZSA-N 0 0 343.382 3.802 10 0 EHAERN CC(C)(C)n1nc2c(c1NC(=O)COc1ccccc1F)CSC2 ZINC000004341911 201598788 /nfs/dbraw/zinc/59/87/88/201598788.db2.gz KCIYKVBEIGTTAP-UHFFFAOYSA-N 0 0 349.431 3.542 10 0 EHAERN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(-c2ccccn2)no1 ZINC000065152722 202826206 /nfs/dbraw/zinc/82/62/06/202826206.db2.gz UFJJMYZGKAEYFM-UHFFFAOYSA-N 0 0 347.296 3.937 10 0 EHAERN O=C(Cc1ccccc1Cl)N(c1ccc(F)cn1)C1CCOCC1 ZINC000069840444 203055590 /nfs/dbraw/zinc/05/55/90/203055590.db2.gz MOAFCQVMUJSPFJ-UHFFFAOYSA-N 0 0 348.805 3.629 10 0 EHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1c(C)cc(Br)cc1C ZINC000020420383 212128075 /nfs/dbraw/zinc/12/80/75/212128075.db2.gz SMHVPYSYPBJFNG-RYUDHWBXSA-N 0 0 327.266 3.781 10 0 EHAERN Cc1ccc(S(=O)(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1 ZINC000072266415 203185198 /nfs/dbraw/zinc/18/51/98/203185198.db2.gz FABKRTMVIFCMCH-UHFFFAOYSA-N 0 0 335.856 3.512 10 0 EHAERN CCCCN1CN(c2ccc(C)cc2C)c2nc(C)c(C)c(=O)n2C1 ZINC000072443068 203225227 /nfs/dbraw/zinc/22/52/27/203225227.db2.gz HOBUFMAJCXANBG-UHFFFAOYSA-N 0 0 340.471 3.646 10 0 EHAERN CCc1ccc(Nc2nc3nccc(-c4ccccn4)c3c(=O)[nH]2)cc1 ZINC000072440962 203225326 /nfs/dbraw/zinc/22/53/26/203225326.db2.gz QSOMPTXLMSMNIF-UHFFFAOYSA-N 0 0 343.390 3.686 10 0 EHAERN COc1cccc(-c2c(C)nn3cc4c(nc23)CC(C)(C)CC4=O)c1 ZINC000072464088 203229543 /nfs/dbraw/zinc/22/95/43/203229543.db2.gz WRKBVCWSJMMHRT-UHFFFAOYSA-N 0 0 335.407 3.868 10 0 EHAERN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(N)=S)cc1 ZINC000072412795 203218971 /nfs/dbraw/zinc/21/89/71/203218971.db2.gz JTNRTAGENXEBCD-INIZCTEOSA-N 0 0 345.855 3.743 10 0 EHAERN Cc1ccc(NCc2cc(C(N)=O)ccc2F)c(Br)c1 ZINC000020039940 212096037 /nfs/dbraw/zinc/09/60/37/212096037.db2.gz MLOQGLPVJKNEFE-UHFFFAOYSA-N 0 0 337.192 3.608 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1cccc(Br)c1 ZINC000019874495 212078447 /nfs/dbraw/zinc/07/84/47/212078447.db2.gz MXHNICZYTTUZNL-UHFFFAOYSA-N 0 0 331.213 3.624 10 0 EHAERN O=C(Nc1cc(N2CCCCC2)ncn1)c1cccc2ccccc21 ZINC000077197421 203374679 /nfs/dbraw/zinc/37/46/79/203374679.db2.gz LDYYSSFAGDBXEY-UHFFFAOYSA-N 0 0 332.407 3.872 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2N)CC1 ZINC000091353201 203632732 /nfs/dbraw/zinc/63/27/32/203632732.db2.gz VRAGYUCQMRISHW-UHFFFAOYSA-N 0 0 325.840 3.734 10 0 EHAERN NC(=S)c1ccc(F)c(COc2ccccc2Br)c1 ZINC000019432539 212026722 /nfs/dbraw/zinc/02/67/22/212026722.db2.gz ADADUUKPZGWKKI-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN NC(=O)c1ccc(N)c(Oc2ccc(Br)cc2Cl)c1 ZINC000103955763 204090894 /nfs/dbraw/zinc/09/08/94/204090894.db2.gz JCLNLYICBCYUNG-UHFFFAOYSA-N 0 0 341.592 3.576 10 0 EHAERN CC(C)Oc1nc(Cl)nc(Nc2ccc(Br)cc2)n1 ZINC000104164881 204099243 /nfs/dbraw/zinc/09/92/43/204099243.db2.gz IKDJMUVIIZMJPH-UHFFFAOYSA-N 0 0 343.612 3.818 10 0 EHAERN CCn1cc([C@H]2OCCC[C@@H]2Nc2ncnc3sc(C)cc32)cn1 ZINC000328617889 258036554 /nfs/dbraw/zinc/03/65/54/258036554.db2.gz DDTFNJHJAXWPLD-LSDHHAIUSA-N 0 0 343.456 3.548 10 0 EHAERN CC(C)(C)n1cc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cn1 ZINC000328651046 258020830 /nfs/dbraw/zinc/02/08/30/258020830.db2.gz VUJOVDASSZRKRT-QGZVFWFLSA-N 0 0 327.476 3.577 10 0 EHAERN CC[C@@H](NC(=O)N[C@H]1CCCc2c(O)cccc21)c1nc(C)cs1 ZINC000188659425 522744008 /nfs/dbraw/zinc/74/40/08/522744008.db2.gz RJOYEMMSXVOZMF-CABCVRRESA-N 0 0 345.468 3.985 10 0 EHAERN C/C=C/C(=O)NCc1cccc(-c2nc(-c3cccc(OC)c3)c[nH]2)c1 ZINC000022658443 563568339 /nfs/dbraw/zinc/56/83/39/563568339.db2.gz LVSRQHCMHSPMSU-ZZXKWVIFSA-N 0 0 347.418 3.945 10 0 EHAERN COC(=O)c1ccc(CSc2ncc(CO)n2C2CCCC2)cc1 ZINC000004382950 563676724 /nfs/dbraw/zinc/67/67/24/563676724.db2.gz WSVAHJJXOVKDNB-UHFFFAOYSA-N 0 0 346.452 3.569 10 0 EHAERN CCCn1cc(-c2ccnc(N[C@H](C)c3nc(C)cs3)n2)c(C)n1 ZINC000063882688 563956396 /nfs/dbraw/zinc/95/63/96/563956396.db2.gz GQHSNCBDHWNMRX-CYBMUJFWSA-N 0 0 342.472 3.997 10 0 EHAERN Cc1noc2ncnc(NCCCc3nc4cc(Cl)ccc4[nH]3)c12 ZINC000091680041 563975663 /nfs/dbraw/zinc/97/56/63/563975663.db2.gz LVVGREOJVDPSNB-UHFFFAOYSA-N 0 0 342.790 3.501 10 0 EHAERN CC(=O)[C@H]1C[C@@H](C)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@H](O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000100023005 563982287 /nfs/dbraw/zinc/98/22/87/563982287.db2.gz BUDKLYQSLDHSFY-XKMUDSCYSA-N 0 0 346.511 3.973 10 0 EHAERN CC(C)(O)[C@H]1Cc2cc3cc(-c4cc(O)cc(O)c4)oc3cc2O1 ZINC000014610079 563982953 /nfs/dbraw/zinc/98/29/53/563982953.db2.gz HMTMYIWMPJSCAZ-GOSISDBHSA-N 0 0 326.348 3.585 10 0 endogenous,in-man EHAERN CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1c1ccc(F)cc1 ZINC000002527030 564065646 /nfs/dbraw/zinc/06/56/46/564065646.db2.gz UPAUPKRIKIUCQW-GOSISDBHSA-N 0 0 329.371 3.501 10 0 EHAERN C[Si](C)(C)c1c(F)c(C=O)cc(C(F)(F)F)c1Br ZINC000521399685 564073696 /nfs/dbraw/zinc/07/36/96/564073696.db2.gz FOOQOKICSRTXOZ-UHFFFAOYSA-N 0 0 343.190 3.965 10 0 EHAERN O[C@@]1(c2cc(Br)cc(Br)c2)CCSC1 ZINC000521401986 564073862 /nfs/dbraw/zinc/07/38/62/564073862.db2.gz UUVMBUWQSJGSGM-JTQLQIEISA-N 0 0 338.064 3.536 10 0 EHAERN CCc1[nH]nc(I)c1-c1cccc(Cl)c1 ZINC000675076024 564113291 /nfs/dbraw/zinc/11/32/91/564113291.db2.gz IRVPZBAACIUTPA-UHFFFAOYSA-N 0 0 332.572 3.897 10 0 EHAERN CC(C)OCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960532 564177118 /nfs/dbraw/zinc/17/71/18/564177118.db2.gz PGYDWIPQQMCPEP-UHFFFAOYSA-N 0 0 335.444 3.808 10 0 EHAERN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000246010766 1015714951 /nfs/dbraw/zinc/71/49/51/1015714951.db2.gz YGOLDUOJBOSSLF-NYUZSIGZSA-N 0 0 338.398 3.673 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)N1CCCC[C@H]1c1nc[nH]n1 ZINC000182755233 1032126524 /nfs/dbraw/zinc/12/65/24/1032126524.db2.gz IEWKQVFZDAJDOF-NSHDSACASA-N 0 0 340.214 3.871 10 0 EHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183419152 1032170256 /nfs/dbraw/zinc/17/02/56/1032170256.db2.gz CPYGSVNTMWBPRN-ZWKOTPCHSA-N 0 0 342.418 3.863 10 0 EHAERN O=C(Nc1ccon1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000183556747 1032179953 /nfs/dbraw/zinc/17/99/53/1032179953.db2.gz MHBNRSLOBTXVQX-UHFFFAOYSA-N 0 0 326.331 3.616 10 0 EHAERN COc1cc(CN[C@H](c2nccs2)c2ccccc2)ccc1O ZINC000183311603 1032190919 /nfs/dbraw/zinc/19/09/19/1032190919.db2.gz FYUWJEQLLTYVRJ-KRWDZBQOSA-N 0 0 326.421 3.737 10 0 EHAERN Cc1csc(CNC(=O)N2CC=C(c3ccccc3F)CC2)n1 ZINC000184367582 1032287253 /nfs/dbraw/zinc/28/72/53/1032287253.db2.gz UNCYPYBUSXGGEL-UHFFFAOYSA-N 0 0 331.416 3.590 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCc2c1cccc2F ZINC000184552358 1032295213 /nfs/dbraw/zinc/29/52/13/1032295213.db2.gz HUOQIUYETJSKMH-UHFFFAOYSA-N 0 0 345.443 3.628 10 0 EHAERN Cc1ccccc1C1(CNC(=O)N2CCC(OCC(C)C)CC2)CC1 ZINC000102464625 1032366865 /nfs/dbraw/zinc/36/68/65/1032366865.db2.gz SFCVZGSOFZLGKY-UHFFFAOYSA-N 0 0 344.499 3.873 10 0 EHAERN CC[C@@H](CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185505920 1032436837 /nfs/dbraw/zinc/43/68/37/1032436837.db2.gz NATWJZSGXFGJHZ-HNAYVOBHSA-N 0 0 348.462 3.808 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C[C@@H](C)C1 ZINC000246382883 1018141565 /nfs/dbraw/zinc/14/15/65/1018141565.db2.gz URDSGGHJVPJLMK-VKJFTORMSA-N 0 0 332.444 3.754 10 0 EHAERN Cc1nc(CC(C)C)oc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000408057690 1018522238 /nfs/dbraw/zinc/52/22/38/1018522238.db2.gz YIHFVRYTYKNFEO-QINHECLXSA-N 0 0 348.487 3.727 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000305140536 1018978044 /nfs/dbraw/zinc/97/80/44/1018978044.db2.gz MEWHRUMCONUDGW-XAUMDUMWSA-N 0 0 341.455 3.733 10 0 EHAERN CSc1cc(C)ccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000152341587 1021084335 /nfs/dbraw/zinc/08/43/35/1021084335.db2.gz QWAJSQATHKCVOS-APWZRJJASA-N 0 0 348.512 3.554 10 0 EHAERN CCOc1ccccc1C1=N/C(=C/c2cccc3cnccc23)C(=O)O1 ZINC000588423393 1021419887 /nfs/dbraw/zinc/41/98/87/1021419887.db2.gz IHVRQBMOZMGFNT-LDADJPATSA-N 0 0 344.370 3.978 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)NCCCNc1cccc(F)c1 ZINC000588432124 1021981992 /nfs/dbraw/zinc/98/19/92/1021981992.db2.gz YORHXNPVUNJSRJ-WAYWQWQTSA-N 0 0 333.794 3.506 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000123337156 1022331748 /nfs/dbraw/zinc/33/17/48/1022331748.db2.gz JNIPWHALDMZNKE-IBGZPJMESA-N 0 0 333.435 3.935 10 0 EHAERN O=C(c1cc(Cl)ccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127577630 1022378473 /nfs/dbraw/zinc/37/84/73/1022378473.db2.gz FSVWKDCXMRHREG-MEDUHNTESA-N 0 0 328.239 3.761 10 0 EHAERN O=C(N1CC[C@@]2(O)CCCC[C@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000127659116 1022395973 /nfs/dbraw/zinc/39/59/73/1022395973.db2.gz ZAHJHQYPMYACTM-KXBFYZLASA-N 0 0 333.859 3.525 10 0 EHAERN O=C([C@@H]1CCC(=O)c2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000328798042 1022504089 /nfs/dbraw/zinc/50/40/89/1022504089.db2.gz FSRUDLJTSNBJLW-CZUORRHYSA-N 0 0 340.448 3.609 10 0 EHAERN Cc1ccc2snc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)c2c1 ZINC000293613121 1022545507 /nfs/dbraw/zinc/54/55/07/1022545507.db2.gz LYSPNGRYZDUXPA-IMJJTQAJSA-N 0 0 344.480 3.760 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1F ZINC000101737660 1022687866 /nfs/dbraw/zinc/68/78/66/1022687866.db2.gz RNBJWIIVCVMILT-AWEZNQCLSA-N 0 0 349.450 3.539 10 0 EHAERN Cc1ccc(F)c(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000101738704 1022689440 /nfs/dbraw/zinc/68/94/40/1022689440.db2.gz IOXONLRLGLFEKP-CQSZACIVSA-N 0 0 349.450 3.539 10 0 EHAERN C/C=C\c1ccc(OCC(=O)OCCC[C@@H]2CCCO2)c(OC)c1 ZINC000588448986 1022907784 /nfs/dbraw/zinc/90/77/84/1022907784.db2.gz QQRMISGCXBHLCB-UYZDIKGJSA-N 0 0 334.412 3.610 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCOc1cccc2ccccc21 ZINC000588452246 1023023167 /nfs/dbraw/zinc/02/31/67/1023023167.db2.gz DAKWWMVRBRYMAD-QXMHVHEDSA-N 0 0 332.403 3.752 10 0 EHAERN C[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000073777672 1023026043 /nfs/dbraw/zinc/02/60/43/1023026043.db2.gz CMHVTELXTHTILH-DAYGRLMNSA-N 0 0 332.488 3.895 10 0 EHAERN C[C@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000073777677 1023026794 /nfs/dbraw/zinc/02/67/94/1023026794.db2.gz CMHVTELXTHTILH-MPGHIAIKSA-N 0 0 332.488 3.895 10 0 EHAERN COc1ccc(OC(F)F)c(COC(=O)/C=C\c2ncccc2C)c1 ZINC000588453157 1023036619 /nfs/dbraw/zinc/03/66/19/1023036619.db2.gz QFOPIWHZIFUKES-VURMDHGXSA-N 0 0 349.333 3.757 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N2CC3(CCCC3)OC(C)(C)C2)cn1 ZINC000190022703 1023155400 /nfs/dbraw/zinc/15/54/00/1023155400.db2.gz MQCOPUBFFXZBNV-UHFFFAOYSA-N 0 0 334.464 3.594 10 0 EHAERN Clc1ccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000333744762 1023188800 /nfs/dbraw/zinc/18/88/00/1023188800.db2.gz YDDFBGJAZDTXDG-CAOSSQGBSA-N 0 0 345.830 3.530 10 0 EHAERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)/C=C\c1ncccc1C ZINC000588462744 1023294144 /nfs/dbraw/zinc/29/41/44/1023294144.db2.gz IWTJEZFGRMNTHD-YUIUBULTSA-N 0 0 335.451 3.531 10 0 EHAERN Cc1ccc(Cl)cc1CNC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000190545636 1023297698 /nfs/dbraw/zinc/29/76/98/1023297698.db2.gz NXIZZWDZYHPDEZ-HNNXBMFYSA-N 0 0 332.835 3.808 10 0 EHAERN CC(C)Cn1ncc2cc(C(=O)N3CC[C@H](C)C[C@H](C)C3)cnc21 ZINC000158619335 1033130628 /nfs/dbraw/zinc/13/06/28/1033130628.db2.gz UCJLYBDAVNBUFN-GJZGRUSLSA-N 0 0 328.460 3.596 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)no1 ZINC000246640615 1023786540 /nfs/dbraw/zinc/78/65/40/1023786540.db2.gz NRLKUQZKLNJUFR-TUVASFSCSA-N 0 0 334.464 3.864 10 0 EHAERN Cc1nn(C)c2ncc(-c3nc(C4C[C@H](C)C[C@@H](C)C4)no3)cc12 ZINC000329747466 1024174013 /nfs/dbraw/zinc/17/40/13/1024174013.db2.gz ZKULTEWQWPHXRQ-GHMZBOCLSA-N 0 0 325.416 3.866 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)[C@H](C)CO1 ZINC000183316476 1024216149 /nfs/dbraw/zinc/21/61/49/1024216149.db2.gz KVAVMUZHECQWHJ-BFYDXBDKSA-N 0 0 344.455 3.642 10 0 EHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccnc(C2CC2)n1 ZINC000330142583 1024334917 /nfs/dbraw/zinc/33/49/17/1024334917.db2.gz YJNPRAFZCVLRSU-QGZVFWFLSA-N 0 0 349.434 3.920 10 0 EHAERN CCO[C@@H]1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)C[C@@H]1C ZINC000333661961 1024347364 /nfs/dbraw/zinc/34/73/64/1024347364.db2.gz MIPXKFRSLLMSMZ-WMLDXEAASA-N 0 0 348.491 3.747 10 0 EHAERN Cc1oc2ccccc2c1CN1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O ZINC000330252745 1024373734 /nfs/dbraw/zinc/37/37/34/1024373734.db2.gz AGBYCHWCAUATNA-JQFCIGGWSA-N 0 0 338.407 3.837 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)/C=C/SCc3ccco3)CCO2)o1 ZINC000151783514 1024625591 /nfs/dbraw/zinc/62/55/91/1024625591.db2.gz WHNQTHAUVZEPAY-DHINHOHASA-N 0 0 333.409 3.528 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000104983923 1024867513 /nfs/dbraw/zinc/86/75/13/1024867513.db2.gz UWVNMCKOXCBOBK-UHFFFAOYSA-N 0 0 340.427 3.527 10 0 EHAERN CCO[C@@H]1C[C@@H](OC(=O)CC/C=C\c2ccccc2)C12CCOCC2 ZINC000588492871 1024925375 /nfs/dbraw/zinc/92/53/75/1024925375.db2.gz CMBBJWOOEFJWIJ-NFTRUMFPSA-N 0 0 344.451 3.997 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000588499522 1025219002 /nfs/dbraw/zinc/21/90/02/1025219002.db2.gz GBRAPCHIICMNBH-HECSCLNYSA-N 0 0 343.471 3.560 10 0 EHAERN Cc1csc(C2CCN(C(=O)C[C@@H](C)c3c(C)noc3C)CC2)n1 ZINC000152192296 1025297300 /nfs/dbraw/zinc/29/73/00/1025297300.db2.gz ZFBWZDGLSGPXQL-LLVKDONJSA-N 0 0 347.484 3.956 10 0 EHAERN Cc1nc(Cl)ccc1C(=O)NC1CCN(c2cccs2)CC1 ZINC000121684762 1025643770 /nfs/dbraw/zinc/64/37/70/1025643770.db2.gz TZXGEPPXFUITBR-UHFFFAOYSA-N 0 0 335.860 3.504 10 0 EHAERN O=C(CNC(=O)N1CCCCC[C@H]1c1ccco1)Nc1ccccc1 ZINC000152376860 1025802824 /nfs/dbraw/zinc/80/28/24/1025802824.db2.gz NZHNIMAITWUJBL-INIZCTEOSA-N 0 0 341.411 3.545 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCCC1(C)C ZINC000153694469 1025836793 /nfs/dbraw/zinc/83/67/93/1025836793.db2.gz MUARPLQJQDIMES-UONOGXRCSA-N 0 0 333.480 3.504 10 0 EHAERN O=C(N1CCCC1)N1CCC[C@@H](c2nc(CC3=CCCCC3)no2)C1 ZINC000329556493 1025997732 /nfs/dbraw/zinc/99/77/32/1025997732.db2.gz HJBVTFVWIWBPAM-MRXNPFEDSA-N 0 0 344.459 3.508 10 0 EHAERN CCC1CCC(c2noc([C@H]3CCCN(C(=O)C4CC4)C3)n2)CC1 ZINC000329593020 1026042504 /nfs/dbraw/zinc/04/25/04/1026042504.db2.gz CBJBMZNRCSMSSI-XUJLQICISA-N 0 0 331.460 3.869 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCc4sccc4C3)c21 ZINC000103317172 1026075939 /nfs/dbraw/zinc/07/59/39/1026075939.db2.gz HXYKIZMOBPKSJX-UHFFFAOYSA-N 0 0 339.464 3.848 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000103857509 1026112922 /nfs/dbraw/zinc/11/29/22/1026112922.db2.gz YHIGRHQAKRDNMB-MRXNPFEDSA-N 0 0 326.440 3.949 10 0 EHAERN C[C@@H]1CN(C(=O)c2cccc(NC(=O)NC3CC3)c2)[C@@H]2CCCC[C@H]21 ZINC000248385145 1026261279 /nfs/dbraw/zinc/26/12/79/1026261279.db2.gz HJHVFQCXGVPFTA-JEBQAFNWSA-N 0 0 341.455 3.621 10 0 EHAERN COc1cc(/C=C/C(=O)N2CCC[C@H](c3nccs3)C2)ccc1F ZINC000152528942 1026294878 /nfs/dbraw/zinc/29/48/78/1026294878.db2.gz WMAFUTJNKYXBNW-DYLGSBMWSA-N 0 0 346.427 3.710 10 0 EHAERN CCCCCOCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000122336418 1026411162 /nfs/dbraw/zinc/41/11/62/1026411162.db2.gz LYAKQDWKSLNFSO-OAHLLOKOSA-N 0 0 330.428 3.741 10 0 EHAERN CC(C)(C)c1cc(N2CCC(n3cncn3)CC2)nc(C(C)(C)C)n1 ZINC000301674461 1026897263 /nfs/dbraw/zinc/89/72/63/1026897263.db2.gz PNHOULCUSCMRBW-UHFFFAOYSA-N 0 0 342.491 3.505 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(F)cn3)C2)cc1 ZINC000123393935 1027199774 /nfs/dbraw/zinc/19/97/74/1027199774.db2.gz YKWAKFNAEGNQGS-TZMCWYRMSA-N 0 0 329.375 3.639 10 0 EHAERN Cc1cnc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)s1 ZINC000302863188 1027330975 /nfs/dbraw/zinc/33/09/75/1027330975.db2.gz WPZZSBWTJMEPDW-UHFFFAOYSA-N 0 0 342.390 3.582 10 0 EHAERN c1cnn([C@H]2CCCC[C@H]2NCc2noc(C3CCCCC3)n2)c1 ZINC000128452145 1027438951 /nfs/dbraw/zinc/43/89/51/1027438951.db2.gz WGLPVXUNOCSBQM-CVEARBPZSA-N 0 0 329.448 3.587 10 0 EHAERN CC(C)CSCCCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000129954414 1027619760 /nfs/dbraw/zinc/61/97/60/1027619760.db2.gz CVSJZCRZHLSQBP-AWEZNQCLSA-N 0 0 341.546 3.811 10 0 EHAERN C[C@@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1nnc2n1CCCC2 ZINC000130972605 1027721387 /nfs/dbraw/zinc/72/13/87/1027721387.db2.gz HOYBKQUNZPOAJL-DOMZBBRYSA-N 0 0 344.434 3.707 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 ZINC000131801930 1027820917 /nfs/dbraw/zinc/82/09/17/1027820917.db2.gz KLVVRUNTVMZQJX-BBRMVZONSA-N 0 0 335.407 3.590 10 0 EHAERN CCc1cccc(CC)c1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246157392 1027847436 /nfs/dbraw/zinc/84/74/36/1027847436.db2.gz QSRNDTLZYOEBFY-KBAYOESNSA-N 0 0 328.456 3.891 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000132270663 1027905970 /nfs/dbraw/zinc/90/59/70/1027905970.db2.gz QPOZGBRLIYAWIG-LLVKDONJSA-N 0 0 336.848 3.911 10 0 EHAERN CC1(C)CN(C(=O)/C=C\c2ccnc(Cl)c2)CC2(CCCC2)O1 ZINC000588554580 1027960087 /nfs/dbraw/zinc/96/00/87/1027960087.db2.gz JGGWPKGLWSSJNY-WAYWQWQTSA-N 0 0 334.847 3.698 10 0 EHAERN Cc1csc([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)n1 ZINC000114828812 1027975673 /nfs/dbraw/zinc/97/56/73/1027975673.db2.gz KQJNTOLEOIADOR-RYUDHWBXSA-N 0 0 336.486 3.558 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCO2)o1 ZINC000133474085 1028036866 /nfs/dbraw/zinc/03/68/66/1028036866.db2.gz DSLRAUACKPIHFL-HNNXBMFYSA-N 0 0 339.313 3.821 10 0 EHAERN Clc1ccccc1-c1cnc(Cn2nnc(-c3ccsc3)n2)o1 ZINC000133986157 1028085762 /nfs/dbraw/zinc/08/57/62/1028085762.db2.gz SXLBXOJQABQICM-UHFFFAOYSA-N 0 0 343.799 3.758 10 0 EHAERN Cc1cc([C@@H](C)NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(C)s1 ZINC000134633474 1028132908 /nfs/dbraw/zinc/13/29/08/1028132908.db2.gz MHRIXASTMBILIL-CZUORRHYSA-N 0 0 345.468 3.684 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000246298389 1028178668 /nfs/dbraw/zinc/17/86/68/1028178668.db2.gz DZENADRTUNEFBE-CXUGXGMPSA-N 0 0 344.480 3.669 10 0 EHAERN CCOc1cc(C)ccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000153563114 1028194217 /nfs/dbraw/zinc/19/42/17/1028194217.db2.gz DPGFQMJEVZFMIC-GOSISDBHSA-N 0 0 344.411 3.901 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000054652475 1028243122 /nfs/dbraw/zinc/24/31/22/1028243122.db2.gz MNUHPGFITAGHCM-QWFCFKBJSA-N 0 0 337.419 3.794 10 0 EHAERN O=C(c1sccc1OC(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000067047316 1028351060 /nfs/dbraw/zinc/35/10/60/1028351060.db2.gz LHHPHFIPULBSOZ-VIFPVBQESA-N 0 0 344.408 3.826 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000068229059 1028389076 /nfs/dbraw/zinc/38/90/76/1028389076.db2.gz JJYWUHKJJOUUPP-MRXNPFEDSA-N 0 0 335.403 3.582 10 0 EHAERN CC(C)(C)N(Cc1cccnc1)C(=O)c1cc2c(s1)CCOC2 ZINC000193869560 1028473317 /nfs/dbraw/zinc/47/33/17/1028473317.db2.gz DKQCFQZFIQXRPY-UHFFFAOYSA-N 0 0 330.453 3.657 10 0 EHAERN CC1(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC000194847561 1028554438 /nfs/dbraw/zinc/55/44/38/1028554438.db2.gz HZUHLTZMARICLI-UHFFFAOYSA-N 0 0 346.446 3.517 10 0 EHAERN CN1CCOc2ccc(N[C@H](c3cccs3)c3ncc[nH]3)cc21 ZINC000195109798 1028582039 /nfs/dbraw/zinc/58/20/39/1028582039.db2.gz HJVHXCFBLVRKSY-MRXNPFEDSA-N 0 0 326.425 3.501 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3C(C)C)CC2)nc1 ZINC000074435521 1028614955 /nfs/dbraw/zinc/61/49/55/1028614955.db2.gz WGQMKELGBZBMBI-SFHVURJKSA-N 0 0 344.503 3.579 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000074486938 1028618691 /nfs/dbraw/zinc/61/86/91/1028618691.db2.gz YLKFQYFRLDSEJK-VVZAMHAXSA-N 0 0 346.434 3.745 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Oc2cccnc2)cc1 ZINC000246627184 1028670389 /nfs/dbraw/zinc/67/03/89/1028670389.db2.gz CBRFBKQGHKELNV-IPMKNSEASA-N 0 0 338.407 3.561 10 0 EHAERN FC(F)(F)c1ncc(CN2CC[C@@]3(C2)OCc2ccccc23)s1 ZINC000375734215 1028754229 /nfs/dbraw/zinc/75/42/29/1028754229.db2.gz WCXVHPCIPRZZMS-HNNXBMFYSA-N 0 0 340.370 3.793 10 0 EHAERN O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247347031 1028779218 /nfs/dbraw/zinc/77/92/18/1028779218.db2.gz JSPZDZGEHUHMLY-NILFDRSVSA-N 0 0 328.239 3.610 10 0 EHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247565722 1028802554 /nfs/dbraw/zinc/80/25/54/1028802554.db2.gz RZYNSLIWFFECKX-LZWOXQAQSA-N 0 0 341.411 3.784 10 0 EHAERN CCCCC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)C(C)C ZINC000247656282 1028807002 /nfs/dbraw/zinc/80/70/02/1028807002.db2.gz OTRLZDNIPANEDB-WDSOQIARSA-N 0 0 348.531 3.841 10 0 EHAERN O=C(Nc1ccccc1CC(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247637689 1028807018 /nfs/dbraw/zinc/80/70/18/1028807018.db2.gz VIPYLSVHYRVGOP-CFVMTHIKSA-N 0 0 342.361 3.871 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)[C@@H]2CCO[C@H]21 ZINC000248340511 1028867875 /nfs/dbraw/zinc/86/78/75/1028867875.db2.gz IQKORHDJJXJFAD-IAOVAPTHSA-N 0 0 327.380 3.615 10 0 EHAERN O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248369279 1028870171 /nfs/dbraw/zinc/87/01/71/1028870171.db2.gz WBRKEAHZIJBKGJ-FOLVSLTJSA-N 0 0 349.356 3.553 10 0 EHAERN CCOc1ccc(C(C)=O)cc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245596865 1028906511 /nfs/dbraw/zinc/90/65/11/1028906511.db2.gz LPKJSCPGXJAPCD-KXBFYZLASA-N 0 0 341.455 3.568 10 0 EHAERN CC(C)(C)c1csc([C@H]2CN(C[C@H]3CCC(C)(C)O3)CCO2)n1 ZINC000248584657 1028922055 /nfs/dbraw/zinc/92/20/55/1028922055.db2.gz UYDACECJNOPMOA-ZIAGYGMSSA-N 0 0 338.517 3.772 10 0 EHAERN CC(C)(C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(Cl)cc1F ZINC000248993064 1028973990 /nfs/dbraw/zinc/97/39/90/1028973990.db2.gz YUWFPPCENUMYGU-KCPJHIHWSA-N 0 0 339.838 3.686 10 0 EHAERN Cc1cccc(Cl)c1NC(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000245681010 1029000828 /nfs/dbraw/zinc/00/08/28/1029000828.db2.gz RULFRYINRJPJNM-HUUCEWRRSA-N 0 0 338.904 3.947 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(-c2ccco2)nc2ccccc21 ZINC000251501951 1029129323 /nfs/dbraw/zinc/12/93/23/1029129323.db2.gz BQBIOOFYZNKQJU-JNAXZKDPSA-N 0 0 348.402 3.792 10 0 EHAERN O=C(Nc1cccc(SC(F)F)c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251682632 1029145561 /nfs/dbraw/zinc/14/55/61/1029145561.db2.gz JBSVVKXDEQVPTO-XQQFMLRXSA-N 0 0 328.384 3.690 10 0 EHAERN C[C@H](CC(=O)N(C)[C@@H]1CCCc2c1cnn2C)Cc1cccc(F)c1 ZINC000154501256 1029193691 /nfs/dbraw/zinc/19/36/91/1029193691.db2.gz LEOXNZXMVJQGIN-KBXCAEBGSA-N 0 0 343.446 3.664 10 0 EHAERN CCC(CC)c1cc(CNC(=O)N2CCC[C@H](COC)CC2)on1 ZINC000458446216 1029375982 /nfs/dbraw/zinc/37/59/82/1029375982.db2.gz COLWZZUTUHXCTC-AWEZNQCLSA-N 0 0 337.464 3.536 10 0 EHAERN C[C@@H]1COCCN1c1ccc(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000246079771 1029633872 /nfs/dbraw/zinc/63/38/72/1029633872.db2.gz GRJSTUURJHGJPR-AXUOBQJMSA-N 0 0 330.472 3.527 10 0 EHAERN Cc1csc(C2CCN(C(=O)CSc3ccc(O)cc3)CC2)n1 ZINC000156356379 1029822774 /nfs/dbraw/zinc/82/27/74/1029822774.db2.gz WNLPPPNNEVBXMS-UHFFFAOYSA-N 0 0 348.493 3.655 10 0 EHAERN CN(C)c1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114807806 1029835202 /nfs/dbraw/zinc/83/52/02/1029835202.db2.gz HXVACMYLOYERCH-ZDUSSCGKSA-N 0 0 330.457 3.621 10 0 EHAERN O=C(N[C@H]1CCCc2occc21)N1CCC[C@@H](c2nccs2)C1 ZINC000114823373 1029854211 /nfs/dbraw/zinc/85/42/11/1029854211.db2.gz AROPCESHIBVLKC-OCCSQVGLSA-N 0 0 331.441 3.703 10 0 EHAERN CC1(C)CCC(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000089837550 1030010065 /nfs/dbraw/zinc/01/00/65/1030010065.db2.gz LHHRDLOGQLCOIT-INIZCTEOSA-N 0 0 346.496 3.822 10 0 EHAERN CCC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000170891686 1030714395 /nfs/dbraw/zinc/71/43/95/1030714395.db2.gz FWHVFDPTQIMLQA-AWEZNQCLSA-N 0 0 343.452 3.511 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccc(Cl)cc3O)CC2)n1 ZINC000171275249 1030751267 /nfs/dbraw/zinc/75/12/67/1030751267.db2.gz OCXMSLRAOCEUGB-UHFFFAOYSA-N 0 0 336.844 3.830 10 0 EHAERN Cc1csc(C2CCN(Cc3nccn3CC(F)(F)F)CC2)n1 ZINC000171382329 1030755375 /nfs/dbraw/zinc/75/53/75/1030755375.db2.gz KLCZMUWCTIRPKA-UHFFFAOYSA-N 0 0 344.406 3.590 10 0 EHAERN COc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171640750 1030768903 /nfs/dbraw/zinc/76/89/03/1030768903.db2.gz BRLQOXQGPWTUFC-NSHDSACASA-N 0 0 336.844 3.825 10 0 EHAERN Cc1ccccc1SCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171647192 1030772813 /nfs/dbraw/zinc/77/28/13/1030772813.db2.gz JZGCTGZPKIXLGG-AWEZNQCLSA-N 0 0 332.494 3.950 10 0 EHAERN C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)c1nccs1 ZINC000171561670 1030795359 /nfs/dbraw/zinc/79/53/59/1030795359.db2.gz ISDZPDIEWCTGLU-CQSZACIVSA-N 0 0 345.468 3.705 10 0 EHAERN O=C(CCc1c[nH]c2ccccc12)N1CCC(Cc2ccccn2)CC1 ZINC000171609822 1030799753 /nfs/dbraw/zinc/79/97/53/1030799753.db2.gz MFKKCAHYJXISHN-UHFFFAOYSA-N 0 0 347.462 3.977 10 0 EHAERN O=C([C@@H]1COc2ccccc2C1)N1CC=C(c2cccs2)CC1 ZINC000172093802 1030830938 /nfs/dbraw/zinc/83/09/38/1030830938.db2.gz FWWLOBULMQFIRJ-INIZCTEOSA-N 0 0 325.433 3.615 10 0 EHAERN C[C@@](O)(CNC(=O)/C=C\c1ccnc2ccccc12)C1CCCCC1 ZINC000588583233 1030839477 /nfs/dbraw/zinc/83/94/77/1030839477.db2.gz AIADZHZUNFZPMH-AXUYNXDZSA-N 0 0 338.451 3.696 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)/C=C/C3CCCCC3)CC2)nc1 ZINC000157780192 1030839500 /nfs/dbraw/zinc/83/95/00/1030839500.db2.gz PSNCMZYYXTWJNW-CSKARUKUSA-N 0 0 327.472 3.612 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C4CC4)on3)C2)cc1 ZINC000172369159 1030950623 /nfs/dbraw/zinc/95/06/23/1030950623.db2.gz KPQUMBKSSSCEPN-IUODEOHRSA-N 0 0 326.396 3.579 10 0 EHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)n1 ZINC000173423818 1031087488 /nfs/dbraw/zinc/08/74/88/1031087488.db2.gz UTDWWYWPHXLJFI-GXFFZTMASA-N 0 0 333.284 3.741 10 0 EHAERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CCC(O)CC2)o1 ZINC000174044533 1031156942 /nfs/dbraw/zinc/15/69/42/1031156942.db2.gz HFFQJEJVRWUSPB-ARAOSMHQSA-N 0 0 334.460 3.628 10 0 EHAERN CC(C)CCO[C@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174066597 1031161627 /nfs/dbraw/zinc/16/16/27/1031161627.db2.gz UASRFQHQIVVAKP-OAHLLOKOSA-N 0 0 336.451 3.680 10 0 EHAERN CC[C@@H](OC1CCCC1)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174089433 1031163377 /nfs/dbraw/zinc/16/33/77/1031163377.db2.gz DSNMWUSNYHWPQF-LJQANCHMSA-N 0 0 348.462 3.966 10 0 EHAERN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCCn2ccnc21 ZINC000174954079 1031259483 /nfs/dbraw/zinc/25/94/83/1031259483.db2.gz SZRLEHUXPTYUOA-PMACEKPBSA-N 0 0 345.446 3.861 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000116653482 1031261629 /nfs/dbraw/zinc/26/16/29/1031261629.db2.gz OFHLUPRVBIRTPK-MRXNPFEDSA-N 0 0 342.266 3.949 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)CCC3CCCCC3)CC2)n1 ZINC000116667618 1031265923 /nfs/dbraw/zinc/26/59/23/1031265923.db2.gz RSEMGFQOJNDPMZ-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000155957486 1031271539 /nfs/dbraw/zinc/27/15/39/1031271539.db2.gz DTFHZVBFNVDDLE-HUUCEWRRSA-N 0 0 332.492 3.959 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCCCSC)C2)c1 ZINC000175410164 1031306149 /nfs/dbraw/zinc/30/61/49/1031306149.db2.gz GAOMSDSQFIHVOU-CQSZACIVSA-N 0 0 337.485 3.553 10 0 EHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000175438374 1031335035 /nfs/dbraw/zinc/33/50/35/1031335035.db2.gz NUPFUDSPXJNTNQ-AUSJPIAWSA-N 0 0 347.418 3.614 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CC2CCCCCC2)c2ccccc2)[nH]1 ZINC000176155068 1031419500 /nfs/dbraw/zinc/41/95/00/1031419500.db2.gz VXUFVNJGBAUMEW-SFHVURJKSA-N 0 0 326.444 3.679 10 0 EHAERN C[C@H]1CC(c2noc(CN3CCc4ccccc4C3=O)n2)C[C@H](C)C1 ZINC000329633452 1031507409 /nfs/dbraw/zinc/50/74/09/1031507409.db2.gz XEHFHXCZUCRMCG-ZIAGYGMSSA-N 0 0 339.439 3.808 10 0 EHAERN O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177798376 1031569355 /nfs/dbraw/zinc/56/93/55/1031569355.db2.gz ATKRHZNEDVMLPQ-GOSISDBHSA-N 0 0 347.418 3.980 10 0 EHAERN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177797346 1031570047 /nfs/dbraw/zinc/57/00/47/1031570047.db2.gz IUDGWEPQXMGMSZ-OAHLLOKOSA-N 0 0 341.342 3.672 10 0 EHAERN C[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)c2cccnc2O1 ZINC000158760477 1031611661 /nfs/dbraw/zinc/61/16/61/1031611661.db2.gz IRKLNELBYUDVAN-JTQLQIEISA-N 0 0 343.433 3.694 10 0 EHAERN CCSc1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000178206817 1031644287 /nfs/dbraw/zinc/64/42/87/1031644287.db2.gz AVCZGVVJPDGIPE-MRXNPFEDSA-N 0 0 343.452 3.879 10 0 EHAERN O=C(c1cccc(Cl)c1F)N1CCC(Cc2ccccn2)CC1 ZINC000178240676 1031646217 /nfs/dbraw/zinc/64/62/17/1031646217.db2.gz OKNQHVCCQFREBQ-UHFFFAOYSA-N 0 0 332.806 3.969 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000179062294 1031730497 /nfs/dbraw/zinc/73/04/97/1031730497.db2.gz VAUVYKWCUWQCLU-OALUTQOASA-N 0 0 340.423 3.822 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000179062306 1031731103 /nfs/dbraw/zinc/73/11/03/1031731103.db2.gz VAUVYKWCUWQCLU-MOPGFXCFSA-N 0 0 340.423 3.822 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4ccn(C)c4c3)CCO2)o1 ZINC000179408392 1031748335 /nfs/dbraw/zinc/74/83/35/1031748335.db2.gz KJECRTGORFQWNP-GOSISDBHSA-N 0 0 339.395 3.685 10 0 EHAERN CC1(C)CCC[C@H](C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000179215629 1031759668 /nfs/dbraw/zinc/75/96/68/1031759668.db2.gz MVEUWAZQALRFLZ-SFHVURJKSA-N 0 0 348.531 3.844 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C)nc4ccccc43)CCO2)o1 ZINC000179346051 1031767567 /nfs/dbraw/zinc/76/75/67/1031767567.db2.gz RZYBPEKUQYDITG-IBGZPJMESA-N 0 0 336.391 3.658 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000117627762 1031783840 /nfs/dbraw/zinc/78/38/40/1031783840.db2.gz FZYOPVYPVVISNU-IAQYHMDHSA-N 0 0 336.313 3.542 10 0 EHAERN Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)nc1)CCCO2 ZINC000180040700 1031835015 /nfs/dbraw/zinc/83/50/15/1031835015.db2.gz XEIIBOMZUIGOJA-SFHVURJKSA-N 0 0 339.439 3.552 10 0 EHAERN CC1(C)CC[C@H](CNC(=O)[C@H]2CCCn3ccnc32)c2ccccc21 ZINC000180092497 1031840823 /nfs/dbraw/zinc/84/08/23/1031840823.db2.gz VWODUEXVJOQZFO-WBVHZDCISA-N 0 0 337.467 3.732 10 0 EHAERN CCn1c(CN2CCO[C@H](c3ccc(C)o3)C2)nc2cc(F)ccc21 ZINC000159062670 1031847898 /nfs/dbraw/zinc/84/78/98/1031847898.db2.gz GIZCIYPNLITCRR-SFHVURJKSA-N 0 0 343.402 3.670 10 0 EHAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000180326276 1031876540 /nfs/dbraw/zinc/87/65/40/1031876540.db2.gz YSHQBUGAGLHEMU-MRXNPFEDSA-N 0 0 339.464 3.963 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3csc(-c4ccoc4)n3)CCO2)o1 ZINC000159116405 1031877219 /nfs/dbraw/zinc/87/72/19/1031877219.db2.gz JNDHASMJMFSYJC-INIZCTEOSA-N 0 0 330.409 3.878 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117856184 1031910888 /nfs/dbraw/zinc/91/08/88/1031910888.db2.gz GITPGXGEMIKERP-CQSZACIVSA-N 0 0 341.432 3.644 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000181209567 1031954299 /nfs/dbraw/zinc/95/42/99/1031954299.db2.gz GGNBJEPUVWEDAW-MJGOQNOKSA-N 0 0 325.456 3.533 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000159255065 1031980552 /nfs/dbraw/zinc/98/05/52/1031980552.db2.gz SMCQUWVYXRYXLJ-OALUTQOASA-N 0 0 325.408 3.682 10 0 EHAERN C[C@@H](O)C1CCN(C(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000153025981 1033869873 /nfs/dbraw/zinc/86/98/73/1033869873.db2.gz JOFRSCLVRZBWRO-KDOFPFPSSA-N 0 0 330.472 3.503 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000084231443 1033910179 /nfs/dbraw/zinc/91/01/79/1033910179.db2.gz BTDVXXARMIKTIK-IAQYHMDHSA-N 0 0 327.346 3.742 10 0 EHAERN CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3cnn(C)c3)CC2)C1 ZINC000159045822 1034047749 /nfs/dbraw/zinc/04/77/49/1034047749.db2.gz ZEMIMYMSVRTRBM-AEFFLSMTSA-N 0 0 332.492 3.524 10 0 EHAERN C[C@H]1CN(c2ncc(Br)cc2C(F)(F)F)CCS1 ZINC000450316516 1034099243 /nfs/dbraw/zinc/09/92/43/1034099243.db2.gz RBGVMVQSOOVWSH-ZETCQYMHSA-N 0 0 341.196 3.805 10 0 EHAERN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(n2ccnc2)CC1 ZINC000101864406 1034286448 /nfs/dbraw/zinc/28/64/48/1034286448.db2.gz ONBKVLVAXPCWCU-UHFFFAOYSA-N 0 0 339.370 3.760 10 0 EHAERN CSc1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)ccc1F ZINC000121157244 1034478338 /nfs/dbraw/zinc/47/83/38/1034478338.db2.gz UWOKVSKMHBGJPH-OAHLLOKOSA-N 0 0 335.400 3.663 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc([S@@](C)=O)cc1 ZINC000186554021 1035658353 /nfs/dbraw/zinc/65/83/53/1035658353.db2.gz VULTWLOPJYDGTM-FNODVLLQSA-N 0 0 343.452 3.574 10 0 EHAERN CN1Cc2cc(NC(=O)NC3CCC(C)(C)CC3)ccc2NC1=O ZINC000186636563 1035675639 /nfs/dbraw/zinc/67/56/39/1035675639.db2.gz JQMBQHIDPKMPFP-UHFFFAOYSA-N 0 0 330.432 3.754 10 0 EHAERN C[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000105078151 1035684554 /nfs/dbraw/zinc/68/45/54/1035684554.db2.gz GVZSXUGBGRNBQZ-LLVKDONJSA-N 0 0 342.270 3.544 10 0 EHAERN O=C(CCN1CCO[C@H](c2ccccc2F)C1)c1ccc(F)cc1F ZINC000186931982 1035723905 /nfs/dbraw/zinc/72/39/05/1035723905.db2.gz ZGPJHPHZUMZCEG-IBGZPJMESA-N 0 0 349.352 3.750 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3ccc4c(c3)COC(C)(C)O4)CCO2)o1 ZINC000186847190 1035730024 /nfs/dbraw/zinc/73/00/24/1035730024.db2.gz HLZCXIOIHUZQRT-IBGZPJMESA-N 0 0 343.423 3.807 10 0 EHAERN Cc1cc(C)cc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000186955901 1035753597 /nfs/dbraw/zinc/75/35/97/1035753597.db2.gz XBPKOTYLWRVXTO-UHFFFAOYSA-N 0 0 330.457 3.868 10 0 EHAERN COc1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1F ZINC000187100683 1035774451 /nfs/dbraw/zinc/77/44/51/1035774451.db2.gz GQGOZTPEUYXYBZ-LLVKDONJSA-N 0 0 335.404 3.702 10 0 EHAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccsc1Cl ZINC000187909633 1035866282 /nfs/dbraw/zinc/86/62/82/1035866282.db2.gz GQEQKDVLJSLEIE-HNNXBMFYSA-N 0 0 348.855 3.876 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000188580745 1035951141 /nfs/dbraw/zinc/95/11/41/1035951141.db2.gz RYRZEOCCTICDAW-INIZCTEOSA-N 0 0 347.846 3.652 10 0 EHAERN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188580752 1035951850 /nfs/dbraw/zinc/95/18/50/1035951850.db2.gz JBYLYZHZXCXWBH-KPZWWZAWSA-N 0 0 338.382 3.544 10 0 EHAERN CC[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CC[C@H]1c1ccccc1 ZINC000188606179 1035963131 /nfs/dbraw/zinc/96/31/31/1035963131.db2.gz KDFDUPSMUOCNPB-DNVCBOLYSA-N 0 0 348.446 3.837 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189090974 1036015464 /nfs/dbraw/zinc/01/54/64/1036015464.db2.gz VLZNJNDSIUPCGT-HRCADAONSA-N 0 0 337.464 3.663 10 0 EHAERN Cc1cc(O)c(C(C)C)cc1NC(=O)C[C@H](C)N1CCCCC1=O ZINC000189495288 1036070781 /nfs/dbraw/zinc/07/07/81/1036070781.db2.gz XDHQBRGFRUHQGJ-AWEZNQCLSA-N 0 0 332.444 3.554 10 0 EHAERN CCCN(C(=O)Nc1cn(C)nc1C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000189727120 1036134542 /nfs/dbraw/zinc/13/45/42/1036134542.db2.gz VNVVGNUCSCUFQD-IAGOWNOFSA-N 0 0 348.491 3.710 10 0 EHAERN O=C(c1ccnc2ccccc21)N1CC2(CCOCC2)c2ccccc21 ZINC000189813505 1036149157 /nfs/dbraw/zinc/14/91/57/1036149157.db2.gz DFRYMLJLVBMNAS-UHFFFAOYSA-N 0 0 344.414 3.943 10 0 EHAERN CC(C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC000332796589 1036172542 /nfs/dbraw/zinc/17/25/42/1036172542.db2.gz UMTOARPZCAYCAA-IMBTUZDBSA-N 0 0 347.503 3.609 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000190104356 1036193472 /nfs/dbraw/zinc/19/34/72/1036193472.db2.gz WQOWLGHCQTUULR-QGZVFWFLSA-N 0 0 340.810 3.812 10 0 EHAERN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190152056 1036199052 /nfs/dbraw/zinc/19/90/52/1036199052.db2.gz ZGJOXLLEDAKOBN-FRFSOERESA-N 0 0 349.862 3.629 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)N2CC3(CCOCC3)c3ccccc32)o1 ZINC000190516495 1036255137 /nfs/dbraw/zinc/25/51/37/1036255137.db2.gz UJHCCPPXBMHFTJ-OAHLLOKOSA-N 0 0 340.423 3.927 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCC(=O)c1cccs1 ZINC000190654608 1036270550 /nfs/dbraw/zinc/27/05/50/1036270550.db2.gz WMVZGJMAHGVKKJ-AWEZNQCLSA-N 0 0 329.421 3.659 10 0 EHAERN Cc1nnc([C@H](NCc2ccc(OCC3CC3)cc2)c2ccccc2)[nH]1 ZINC000190941925 1036307542 /nfs/dbraw/zinc/30/75/42/1036307542.db2.gz FFZMURHSHOTHJQ-HXUWFJFHSA-N 0 0 348.450 3.781 10 0 EHAERN c1ccc(-c2nnc(CN3CC4(CCOCC4)c4ccccc43)o2)cc1 ZINC000192287530 1036494229 /nfs/dbraw/zinc/49/42/29/1036494229.db2.gz LEIDWLLDDPAQJD-UHFFFAOYSA-N 0 0 347.418 3.805 10 0 EHAERN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000192464753 1036509846 /nfs/dbraw/zinc/50/98/46/1036509846.db2.gz QULUYYXPFPECBI-CQSZACIVSA-N 0 0 343.814 3.752 10 0 EHAERN COCc1ccc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000192561211 1036529161 /nfs/dbraw/zinc/52/91/61/1036529161.db2.gz MLVWWPLOSIOLGU-HKUYNNGSSA-N 0 0 340.423 3.732 10 0 EHAERN O=C(NCCCCCCO)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000192713018 1036541801 /nfs/dbraw/zinc/54/18/01/1036541801.db2.gz GLSQTLUPXIQWNM-UHFFFAOYSA-N 0 0 342.439 3.567 10 0 EHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)n1 ZINC000103365857 1036874886 /nfs/dbraw/zinc/87/48/86/1036874886.db2.gz CYFHDADHOAHBLR-HOTGVXAUSA-N 0 0 325.456 3.951 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1 ZINC000175266742 1036973715 /nfs/dbraw/zinc/97/37/15/1036973715.db2.gz NDCWIOBZCQSPPM-DIECFANBSA-N 0 0 332.444 3.638 10 0 EHAERN Cc1sc2ncnc(OCC(=O)Nc3cccc(C)c3)c2c1C ZINC000003366404 1036984291 /nfs/dbraw/zinc/98/42/91/1036984291.db2.gz OUFQRRBFFNCJNT-UHFFFAOYSA-N 0 0 327.409 3.634 10 0 EHAERN COc1cc(NCc2nc(-c3ccoc3)no2)c(OC)cc1Cl ZINC000105606302 1037221589 /nfs/dbraw/zinc/22/15/89/1037221589.db2.gz XSGFJZQPXPSMSK-UHFFFAOYSA-N 0 0 335.747 3.612 10 0 EHAERN CC(C)(C)OC(=O)N1CCc2cccc(NCC3=CCCOC3)c2C1 ZINC000375804438 1037271750 /nfs/dbraw/zinc/27/17/50/1037271750.db2.gz ICUORIVBDMXHBP-UHFFFAOYSA-N 0 0 344.455 3.738 10 0 EHAERN Cc1cccc(-c2nc(CC(=O)N[C@@H](C)c3nccs3)cs2)c1 ZINC000105998101 1037293701 /nfs/dbraw/zinc/29/37/01/1037293701.db2.gz FXXFGFFHBWQVNY-LBPRGKRZSA-N 0 0 343.477 3.995 10 0 EHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000104479800 1037299264 /nfs/dbraw/zinc/29/92/64/1037299264.db2.gz GMWYRQBBABQKMK-CABZTGNLSA-N 0 0 348.324 3.951 10 0 EHAERN O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000104277318 1037468014 /nfs/dbraw/zinc/46/80/14/1037468014.db2.gz RCGCYCAGOOCEHC-JKSUJKDBSA-N 0 0 345.830 3.514 10 0 EHAERN COc1cccc2c1CCN(C(=O)Nc1cnc(Cl)cc1C)CC2 ZINC000193591022 1037515734 /nfs/dbraw/zinc/51/57/34/1037515734.db2.gz GZIWSHFYCDHVCT-UHFFFAOYSA-N 0 0 345.830 3.685 10 0 EHAERN O=C(c1cc(F)cc2nccnc21)N1CC=C(c2ccccc2)CC1 ZINC000193593711 1037519577 /nfs/dbraw/zinc/51/95/77/1037519577.db2.gz NSXKKCBRAIAHEJ-UHFFFAOYSA-N 0 0 333.366 3.698 10 0 EHAERN COc1ccc(CCCC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000101524863 1037570490 /nfs/dbraw/zinc/57/04/90/1037570490.db2.gz CEWZEBDYYXIFIM-UHFFFAOYSA-N 0 0 337.379 3.707 10 0 EHAERN Cc1csc(C2CCN(C(=O)CCC(=O)c3cccs3)CC2)n1 ZINC000102646648 1037583043 /nfs/dbraw/zinc/58/30/43/1037583043.db2.gz ZMMAFKRTLLJPSP-UHFFFAOYSA-N 0 0 348.493 3.882 10 0 EHAERN Cc1cnn([C@@H]2CCCN(C(=O)/C=C/c3cccc4cccnc34)C2)c1 ZINC000105858725 1037605458 /nfs/dbraw/zinc/60/54/58/1037605458.db2.gz REFUAGWAITUFRR-JBVUFVISSA-N 0 0 346.434 3.617 10 0 EHAERN CC(C)(C)c1ccc(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000179355783 1037764147 /nfs/dbraw/zinc/76/41/47/1037764147.db2.gz ZEOGIUOTYQOMSN-KRWDZBQOSA-N 0 0 340.471 3.789 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H](C)CC3CCCC3)CC2)n1 ZINC000116670965 1037842122 /nfs/dbraw/zinc/84/21/22/1037842122.db2.gz ONSGSRCPRKXOEB-HNNXBMFYSA-N 0 0 329.488 3.691 10 0 EHAERN COc1ccc([C@H](C)NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1F ZINC000117582588 1037855515 /nfs/dbraw/zinc/85/55/15/1037855515.db2.gz ICCXYUUQWGDJTB-OAVHHTNSSA-N 0 0 329.371 3.576 10 0 EHAERN Cc1cc(C)n2ncc(-c3noc([C@@H]4Oc5ccccc5[C@@H]4C)n3)c2n1 ZINC000118166313 1037870758 /nfs/dbraw/zinc/87/07/58/1037870758.db2.gz YBICZZIIJJPSPI-BLLLJJGKSA-N 0 0 347.378 3.633 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCO[C@H](c2ccco2)C1 ZINC000119212576 1037890320 /nfs/dbraw/zinc/89/03/20/1037890320.db2.gz LMVVQPIPLCALGF-AEFFLSMTSA-N 0 0 344.386 3.579 10 0 EHAERN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2c2csc(C)n2)n1 ZINC000330211588 1038738348 /nfs/dbraw/zinc/73/83/48/1038738348.db2.gz JITDBWRUHRUNDB-BBRMVZONSA-N 0 0 332.473 3.580 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151654227 1038781857 /nfs/dbraw/zinc/78/18/57/1038781857.db2.gz BJCWUPKLQSDTID-PXAZEXFGSA-N 0 0 338.835 3.508 10 0 EHAERN O=C(NCc1cc(F)cc2c1OCOC2)N1CCC[C@@H]1C1CCCC1 ZINC000170698010 1038787651 /nfs/dbraw/zinc/78/76/51/1038787651.db2.gz XNLRFASJBCMADI-QGZVFWFLSA-N 0 0 348.418 3.556 10 0 EHAERN C[C@@H](NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCCC2 ZINC000247142982 1039642750 /nfs/dbraw/zinc/64/27/50/1039642750.db2.gz QYDMKCNPEZHVNU-KFWWJZLASA-N 0 0 332.492 3.644 10 0 EHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151094054 1039727351 /nfs/dbraw/zinc/72/73/51/1039727351.db2.gz LVGWFGILBDMWDU-JSFADZTLSA-N 0 0 330.472 3.515 10 0 EHAERN O=C(c1cnc(-c2ccsc2)s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151186979 1039845321 /nfs/dbraw/zinc/84/53/21/1039845321.db2.gz AGYGECYWMAETBP-SUMWQHHRSA-N 0 0 348.493 3.639 10 0 EHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2nc[nH]c2cc1F ZINC000332786729 1040110905 /nfs/dbraw/zinc/11/09/05/1040110905.db2.gz AKOVRLGNZFHZBP-BDAKNGLRSA-N 0 0 329.297 3.553 10 0 EHAERN O=C(NCc1ccc(C2CCC2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332989286 1040765212 /nfs/dbraw/zinc/76/52/12/1040765212.db2.gz HZTCLFSDYHNCQT-FPOVZHCZSA-N 0 0 342.483 3.791 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000248964107 1040883888 /nfs/dbraw/zinc/88/38/88/1040883888.db2.gz NKGRPECXORTWIZ-JRBPQWBISA-N 0 0 341.455 3.650 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1cc(C)cc(C)c1 ZINC000330248899 1042401951 /nfs/dbraw/zinc/40/19/51/1042401951.db2.gz MKEYSZCLOIAXGT-FUHWJXTLSA-N 0 0 338.455 3.626 10 0 EHAERN Cc1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)c(C)n1C1CC1 ZINC000161834477 1042689443 /nfs/dbraw/zinc/68/94/43/1042689443.db2.gz ROBMUTSEEBKAOM-MRXNPFEDSA-N 0 0 330.453 3.715 10 0 EHAERN COCc1ccc([C@@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)o1 ZINC000162028492 1042705866 /nfs/dbraw/zinc/70/58/66/1042705866.db2.gz SEPFPYMAIWGHEK-FZMZJTMJSA-N 0 0 332.227 3.673 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c2ccccc21 ZINC000153145150 1042780792 /nfs/dbraw/zinc/78/07/92/1042780792.db2.gz FMRXNFKTINVCTE-NIKGAXFTSA-N 0 0 338.455 3.905 10 0 EHAERN CC(C)c1nc(C(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1cccc(F)c1 ZINC000330301187 1042863861 /nfs/dbraw/zinc/86/38/61/1042863861.db2.gz IXDWQCBGRICCQV-CZUORRHYSA-N 0 0 342.418 3.544 10 0 EHAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000408276418 1042931803 /nfs/dbraw/zinc/93/18/03/1042931803.db2.gz INXKBCCMQITQRE-QFQOKLKCSA-N 0 0 342.487 3.587 10 0 EHAERN CC(C)c1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)on1 ZINC000408340262 1043349847 /nfs/dbraw/zinc/34/98/47/1043349847.db2.gz NGTYHDVBIVIKLX-UHFFFAOYSA-N 0 0 326.396 3.507 10 0 EHAERN Cc1c(C(=O)N2CC=C(c3cccs3)CC2)cnn1CC(C)C ZINC000163049586 1043895189 /nfs/dbraw/zinc/89/51/89/1043895189.db2.gz UHRJFEQJICRDPK-UHFFFAOYSA-N 0 0 329.469 3.839 10 0 EHAERN CO[C@H]1CCC[C@H]1OC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000111967754 1044525423 /nfs/dbraw/zinc/52/54/23/1044525423.db2.gz INIIXXPYXZWUHK-LSDHHAIUSA-N 0 0 335.400 3.602 10 0 EHAERN COc1ccsc1C(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000106021568 1128479269 /nfs/dbraw/zinc/47/92/69/1128479269.db2.gz ULRDDXXRNWPBPC-UHFFFAOYSA-N 0 0 345.464 3.860 10 0 EHAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H](C)[C@@H](C)C3CCCCC3)C2)n1 ZINC000370103478 1120899748 /nfs/dbraw/zinc/89/97/48/1120899748.db2.gz XKGKYWUSPMYSFX-JKIFEVAISA-N 0 0 348.491 3.872 10 0 EHAERN CC1(C)Cc2cc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)ccc2O1 ZINC000273475346 1129753273 /nfs/dbraw/zinc/75/32/73/1129753273.db2.gz SPYTZTJGPXIBIN-INIZCTEOSA-N 0 0 340.427 3.882 10 0 EHAERN CC[C@@H](COC(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 ZINC000105774675 1135976349 /nfs/dbraw/zinc/97/63/49/1135976349.db2.gz KKRJXQLHYRTPOT-AWEZNQCLSA-N 0 0 331.437 3.735 10 0 EHAERN CC(C)c1nc(CCNC(=O)N(C)CCc2ccc(F)cc2)cs1 ZINC000102457547 1137873213 /nfs/dbraw/zinc/87/32/13/1137873213.db2.gz FITAASMMBQMQDP-UHFFFAOYSA-N 0 0 349.475 3.832 10 0 EHAERN Cc1ccccc1C1(CNC(=O)N(C)Cc2ccc(Cl)nc2)CC1 ZINC000102578843 1137873335 /nfs/dbraw/zinc/87/33/35/1137873335.db2.gz JMGOYWIUBASDHK-UHFFFAOYSA-N 0 0 343.858 3.917 10 0 EHAERN CC[C@H](NC(=O)c1coc(Br)c1)c1nc(C)cs1 ZINC000104605391 1137878837 /nfs/dbraw/zinc/87/88/37/1137878837.db2.gz KKCDZKJGOBPVPB-VIFPVBQESA-N 0 0 329.219 3.688 10 0 EHAERN CC[C@H](NC(=O)N(C)Cc1ccc(Cl)nc1)c1nc(C)cs1 ZINC000105306933 1137880753 /nfs/dbraw/zinc/88/07/53/1137880753.db2.gz LSKLNXYDPIYWBD-LBPRGKRZSA-N 0 0 338.864 3.793 10 0 EHAERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333431576 1138289463 /nfs/dbraw/zinc/28/94/63/1138289463.db2.gz UPKNDIDMQDEBEV-JYYAWHABSA-N 0 0 326.440 3.921 10 0 EHAERN O=C1CC2(CCCCC2)N(Cc2ccccc2Oc2cccnc2)N1 ZINC000333690867 1138320364 /nfs/dbraw/zinc/32/03/64/1138320364.db2.gz BXYDJGCSVAITBN-UHFFFAOYSA-N 0 0 337.423 3.814 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)Nc2cn(C)nc2C2CCCCC2)C[C@H](C)O1 ZINC000333746800 1138328028 /nfs/dbraw/zinc/32/80/28/1138328028.db2.gz YWCOTNWXEPADHS-QDMKHBRRSA-N 0 0 348.491 3.793 10 0 EHAERN Cc1cc(=O)c(-c2noc(C3=CCC(C)(C)CC3)n2)c2n1CCC2 ZINC000333764807 1138330168 /nfs/dbraw/zinc/33/01/68/1138330168.db2.gz DGMHCNPKFPKEPP-UHFFFAOYSA-N 0 0 325.412 3.746 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)CCc2cccn2C)cs1 ZINC000186894696 1140227113 /nfs/dbraw/zinc/22/71/13/1140227113.db2.gz WCXKPXZGCJHEHR-GUYCJALGSA-N 0 0 346.500 3.658 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2oc3c(c2C)C(=O)CCC3)cs1 ZINC000187084308 1140237365 /nfs/dbraw/zinc/23/73/65/1140237365.db2.gz SBVIACTXRVXNHS-ZDUSSCGKSA-N 0 0 344.436 3.849 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc3nc(C)ccc3o2)cs1 ZINC000187121633 1140240379 /nfs/dbraw/zinc/24/03/79/1140240379.db2.gz IDYFMJBLASDQOY-AWEZNQCLSA-N 0 0 327.409 3.878 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cs1 ZINC000187127942 1140240575 /nfs/dbraw/zinc/24/05/75/1140240575.db2.gz HWQBCYSYLPVPAF-ZKKXHLJNSA-N 0 0 342.420 3.557 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000188339473 1140292502 /nfs/dbraw/zinc/29/25/02/1140292502.db2.gz XRKWNPXMWMUKEL-AWEZNQCLSA-N 0 0 347.440 3.838 10 0 EHAERN CC(=O)c1ccccc1OCCN1CCC[C@H]1c1csc(C)n1 ZINC000189817554 1140365786 /nfs/dbraw/zinc/36/57/86/1140365786.db2.gz HIMSVAOAJOIUAX-KRWDZBQOSA-N 0 0 330.453 3.870 10 0 EHAERN CCCn1nc(C(=O)Nc2ccccc2-c2ccccc2)ccc1=O ZINC000011781992 201814900 /nfs/dbraw/zinc/81/49/00/201814900.db2.gz GRVJJCMCNZKIEB-UHFFFAOYSA-N 0 0 333.391 3.573 10 0 EHAERN CCCC(=O)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 ZINC000015006753 201947848 /nfs/dbraw/zinc/94/78/48/201947848.db2.gz XVIIMALZLZEBST-UHFFFAOYSA-N 0 0 326.444 3.662 10 0 EHAERN CC(=O)c1c(=O)[nH]nc(-c2ccc(F)cc2)c1-c1ccc(F)cc1 ZINC000017139044 201986012 /nfs/dbraw/zinc/98/60/12/201986012.db2.gz KHYPTVAMXRKHPB-UHFFFAOYSA-N 0 0 326.302 3.997 10 0 EHAERN CC(=O)Oc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000021025015 202060784 /nfs/dbraw/zinc/06/07/84/202060784.db2.gz OSZDQVILKYKPSD-UHFFFAOYSA-N 0 0 334.169 3.627 10 0 EHAERN Cc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1N ZINC000038001365 202080117 /nfs/dbraw/zinc/08/01/17/202080117.db2.gz GTYWDWCCUJGWRM-UHFFFAOYSA-N 0 0 325.195 3.902 10 0 EHAERN C[C@H](Nc1ccnc(C(=O)N(C)C)c1)c1cccc(Br)c1 ZINC000038012625 202084010 /nfs/dbraw/zinc/08/40/10/202084010.db2.gz JBKVCQLSEACNTJ-NSHDSACASA-N 0 0 348.244 3.719 10 0 EHAERN CCOC(=O)[C@H](NC1CCCCC1)c1ccc(Br)cc1 ZINC000037972215 202071057 /nfs/dbraw/zinc/07/10/57/202071057.db2.gz JVQXNFWBOCYKFN-OAHLLOKOSA-N 0 0 340.261 3.976 10 0 EHAERN COC(=O)[C@@](C)(NC1CCCCC1)c1cccc(Br)c1 ZINC000037971911 202071594 /nfs/dbraw/zinc/07/15/94/202071594.db2.gz KTAJSFKWARLRBD-INIZCTEOSA-N 0 0 340.261 3.760 10 0 EHAERN COc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1Br ZINC000037977081 202072183 /nfs/dbraw/zinc/07/21/83/202072183.db2.gz SJFFJSVCVPALOR-SNVBAGLBSA-N 0 0 338.201 3.850 10 0 EHAERN CCO[P@@](=O)(Oc1ccc2c(C)c(Cl)c(=O)oc2c1)N(C)C ZINC000021993298 202076802 /nfs/dbraw/zinc/07/68/02/202076802.db2.gz LFDODTSSBGRUEA-JOCHJYFZSA-N 0 0 345.719 3.840 10 0 EHAERN Cc1cc2ncnn2c(N[C@@H](C)c2cccc(Br)c2)c1 ZINC000037984130 202077924 /nfs/dbraw/zinc/07/79/24/202077924.db2.gz YAIHOKNCYQXISL-NSHDSACASA-N 0 0 331.217 3.973 10 0 EHAERN COc1cccc(-c2ccnc(C)n2)c1C(=O)N(C(C)C)C(C)C ZINC000032537241 202226681 /nfs/dbraw/zinc/22/66/81/202226681.db2.gz IRFNHPYKFOWSIT-UHFFFAOYSA-N 0 0 327.428 3.720 10 0 EHAERN CCn1cc(/C=C\C(=O)Nc2ccc(C)cc2Br)cn1 ZINC000033291206 202256385 /nfs/dbraw/zinc/25/63/85/202256385.db2.gz CVKRSLOLMSQVGL-ALCCZGGFSA-N 0 0 334.217 3.626 10 0 EHAERN Cc1ccc(/C=C\C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000033317192 202256921 /nfs/dbraw/zinc/25/69/21/202256921.db2.gz VWPDXIODABKARI-FPLPWBNLSA-N 0 0 330.815 3.603 10 0 EHAERN CCCCCn1c(=O)oc(=O)c2cc(Br)cc(Cl)c21 ZINC000033494503 202263302 /nfs/dbraw/zinc/26/33/02/202263302.db2.gz OJYHMNFXBCPNSC-UHFFFAOYSA-N 0 0 346.608 3.561 10 0 EHAERN Cc1ccsc1C(=O)c1cc2c(cc1Br)OCCO2 ZINC000035369543 202300335 /nfs/dbraw/zinc/30/03/35/202300335.db2.gz MRLFDSDCXTWBKK-UHFFFAOYSA-N 0 0 339.210 3.821 10 0 EHAERN Cc1cccc(CO[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000036314770 202321270 /nfs/dbraw/zinc/32/12/70/202321270.db2.gz YEONVAFOZIZEFY-LJQANCHMSA-N 0 0 327.399 3.956 10 0 EHAERN CCCNC(=O)CCn1c(Cc2ccccc2F)nc2ccccc21 ZINC000037398182 202339913 /nfs/dbraw/zinc/33/99/13/202339913.db2.gz WBSOGXCNKPRRSP-UHFFFAOYSA-N 0 0 339.414 3.683 10 0 EHAERN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccncc2)cc1 ZINC000037522250 202344829 /nfs/dbraw/zinc/34/48/29/202344829.db2.gz LMHMWKVANAQQEZ-NRFANRHFSA-N 0 0 333.435 3.887 10 0 EHAERN Cc1ccc(Br)cc1S(=O)(=O)N1[C@H](C)CCC[C@H]1C ZINC000037574850 202348007 /nfs/dbraw/zinc/34/80/07/202348007.db2.gz BIOBCZKVWUEHJU-VXGBXAGGSA-N 0 0 346.290 3.709 10 0 EHAERN NC(=O)[C@H](Nc1ccccc1Br)c1cccc(Cl)c1 ZINC000037944058 202379687 /nfs/dbraw/zinc/37/96/87/202379687.db2.gz MYFLOOWVMVEDNZ-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=O)[C@H](Nc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000037942531 202380264 /nfs/dbraw/zinc/38/02/64/202380264.db2.gz ISDYTSMXVLYJIC-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN O=C([O-])[C@@H]([NH2+]Cc1cccs1)c1ccc(F)c(Br)c1 ZINC000037966570 202381481 /nfs/dbraw/zinc/38/14/81/202381481.db2.gz UIGAYFCAWUYSJU-LBPRGKRZSA-N 0 0 344.205 3.565 10 0 EHAERN CCOC(=O)[C@H](CCSC)Nc1ccccc1Br ZINC000037960138 202381488 /nfs/dbraw/zinc/38/14/88/202381488.db2.gz DSZOVOJFOULAGQ-LBPRGKRZSA-N 0 0 332.263 3.546 10 0 EHAERN O=Cc1csc(-c2cc(Br)c3c(c2)OCCCO3)n1 ZINC000037974113 202381925 /nfs/dbraw/zinc/38/19/25/202381925.db2.gz PJQPPSABVGIECR-UHFFFAOYSA-N 0 0 340.198 3.546 10 0 EHAERN Cc1cc2nc(CO)n(Cc3ccc(Br)cc3)c2cc1C ZINC000040308836 202434425 /nfs/dbraw/zinc/43/44/25/202434425.db2.gz NLVJVRNLDCBKKP-UHFFFAOYSA-N 0 0 345.240 3.956 10 0 EHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCc2ccccc21 ZINC000040687357 202459119 /nfs/dbraw/zinc/45/91/19/202459119.db2.gz YBDSNDCEPPELNW-UHFFFAOYSA-N 0 0 338.802 3.545 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040758032 202463272 /nfs/dbraw/zinc/46/32/72/202463272.db2.gz CYWKCQOROBGXFX-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN COc1ccccc1Oc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040800286 202464647 /nfs/dbraw/zinc/46/46/47/202464647.db2.gz OYQVGLDBIGRBSI-UHFFFAOYSA-N 0 0 344.321 3.882 10 0 EHAERN CCOC(=O)c1sc(Cl)nc1-c1ccc(OC)c(OC)c1 ZINC000032500064 201070558 /nfs/dbraw/zinc/07/05/58/201070558.db2.gz HSJQZHCFHNXIRE-UHFFFAOYSA-N 0 0 327.789 3.657 10 0 EHAERN CCOCn1c(=S)[nH]c(=O)c(C2CC2)c1Sc1ccccc1 ZINC000013775987 201366324 /nfs/dbraw/zinc/36/63/24/201366324.db2.gz USUVLNAUWPBOKC-UHFFFAOYSA-N 0 0 334.466 3.928 10 0 EHAERN CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccccc1 ZINC000001693184 201359345 /nfs/dbraw/zinc/35/93/45/201359345.db2.gz SPHYEGOGWPUGBP-UHFFFAOYSA-N 0 0 338.432 3.924 10 0 EHAERN CCn1c2ccccc2c(Cl)c(S(=O)(=O)c2ccccc2)c1=O ZINC000085346629 202614199 /nfs/dbraw/zinc/61/41/99/202614199.db2.gz QQXFQDFGQSFJKL-UHFFFAOYSA-N 0 0 347.823 3.508 10 0 EHAERN Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000022214026 212282864 /nfs/dbraw/zinc/28/28/64/212282864.db2.gz ZQMNRGLDEXKCCI-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000022173636 212279921 /nfs/dbraw/zinc/27/99/21/212279921.db2.gz JDEVYLMAKPLUQA-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN Nc1ccccc1NC(=O)CCCOc1ccc(Br)cc1 ZINC000022168946 212280121 /nfs/dbraw/zinc/28/01/21/212280121.db2.gz LHKQBQFPHXEFHL-UHFFFAOYSA-N 0 0 349.228 3.829 10 0 EHAERN NS(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)cc2)s1 ZINC000211818384 241085527 /nfs/dbraw/zinc/08/55/27/241085527.db2.gz DQEPHDMNIYMOLT-UHFFFAOYSA-N 0 0 339.385 3.566 10 0 EHAERN CCOC(=O)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1 ZINC000005152151 201641268 /nfs/dbraw/zinc/64/12/68/201641268.db2.gz ABLNCXPVGQUDAC-UHFFFAOYSA-N 0 0 342.380 3.512 10 0 EHAERN COc1ccccc1[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000069528510 203013811 /nfs/dbraw/zinc/01/38/11/203013811.db2.gz RCQXMRVAIJOHMK-HUUCEWRRSA-N 0 0 331.362 3.736 10 0 EHAERN CC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000254846496 244045140 /nfs/dbraw/zinc/04/51/40/244045140.db2.gz MDCCMZGGNCMFPQ-NAQYUPBGSA-N 0 0 346.511 3.876 10 0 EHAERN N[C@H](c1ccc(Cl)c(I)c1)C(F)(F)F ZINC000072190923 203183315 /nfs/dbraw/zinc/18/33/15/203183315.db2.gz WIMVNRFLOCKKMJ-SSDOTTSWSA-N 0 0 335.494 3.507 10 0 EHAERN Nc1cccc(OCc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)c1 ZINC000072236692 203184148 /nfs/dbraw/zinc/18/41/48/203184148.db2.gz CIDPFGTUPKYZJX-UHFFFAOYSA-N 0 0 334.301 3.652 10 0 EHAERN Cc1ccc(N2CN(CCC(C)C)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000072441797 203225522 /nfs/dbraw/zinc/22/55/22/203225522.db2.gz OGECXKISUSFIBT-UHFFFAOYSA-N 0 0 340.471 3.583 10 0 EHAERN CCc1c(C)nc2n(c1=O)CN(C(C)C)CN2c1ccc(C)c(C)c1 ZINC000072442901 203225796 /nfs/dbraw/zinc/22/57/96/203225796.db2.gz UVNDNDRTKQKDIX-UHFFFAOYSA-N 0 0 340.471 3.508 10 0 EHAERN CCc1c(C)nc2n(c1=O)CN(C(C)C)CN2c1ccc(C)cc1C ZINC000072443096 203225848 /nfs/dbraw/zinc/22/58/48/203225848.db2.gz HJDTZPADMDMWQJ-UHFFFAOYSA-N 0 0 340.471 3.508 10 0 EHAERN CCc1ccc(Nc2nc3nccc(-c4ccncc4)c3c(=O)[nH]2)cc1 ZINC000072441012 203226172 /nfs/dbraw/zinc/22/61/72/203226172.db2.gz INLBKMRDOAWODL-UHFFFAOYSA-N 0 0 343.390 3.686 10 0 EHAERN Cc1nn2c3c(cnc2c1-c1ccc(Br)cc1)CCC3 ZINC000072451868 203227249 /nfs/dbraw/zinc/22/72/49/203227249.db2.gz FPNGXLUTXGZEGV-UHFFFAOYSA-N 0 0 328.213 3.956 10 0 EHAERN O=C(CCC1CCCC1)N1CC[C@@H](n2cnnc2-c2ccccc2)C1 ZINC000075874689 203326031 /nfs/dbraw/zinc/32/60/31/203326031.db2.gz JQEVIBJRKJOZOZ-GOSISDBHSA-N 0 0 338.455 3.689 10 0 EHAERN Cc1cc(O)cc(C)c1NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000077293620 203378954 /nfs/dbraw/zinc/37/89/54/203378954.db2.gz IHMIBONFSMMQPV-OAHLLOKOSA-N 0 0 348.443 3.737 10 0 in-vitro EHAERN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccs1 ZINC000054618295 203708849 /nfs/dbraw/zinc/70/88/49/203708849.db2.gz GBGYMOCGJNMTMV-UHFFFAOYSA-N 0 0 333.409 3.780 10 0 EHAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccccc2Cl)C1 ZINC000095078262 203710697 /nfs/dbraw/zinc/71/06/97/203710697.db2.gz VSHNFUPGQNJLTB-OAHLLOKOSA-N 0 0 341.842 3.699 10 0 EHAERN Cc1cc(C)nc(OCC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089861 203712677 /nfs/dbraw/zinc/71/26/77/203712677.db2.gz DJDAFDKHEXMTNR-OAHLLOKOSA-N 0 0 335.448 3.652 10 0 EHAERN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cc(Br)ccc1Cl ZINC000103738107 204086040 /nfs/dbraw/zinc/08/60/40/204086040.db2.gz CPKYJGVPAJXCRS-NXEZZACHSA-N 0 0 342.620 3.782 10 0 EHAERN CN[C@H](c1sccc1Br)c1cc(F)ccc1OC ZINC000104285684 204102685 /nfs/dbraw/zinc/10/26/85/204102685.db2.gz ZBTCNGWCBSARHQ-LBPRGKRZSA-N 0 0 330.222 3.967 10 0 EHAERN COc1ccc(CNCc2nc3ccccc3[nH]2)cc1Br ZINC000048435806 204349193 /nfs/dbraw/zinc/34/91/93/204349193.db2.gz SKDFJXZTKLJPKA-UHFFFAOYSA-N 0 0 346.228 3.624 10 0 EHAERN CC(=O)[C@H]1C[C@H](C)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@@H](O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000118913372 204615411 /nfs/dbraw/zinc/61/54/11/204615411.db2.gz BUDKLYQSLDHSFY-ITVAAHSOSA-N 0 0 346.511 3.973 10 0 EHAERN CCc1nc(-c2cccc(Cl)c2)nc(N2CCC(=O)CC2)c1C ZINC000073679027 135619962 /nfs/dbraw/zinc/61/99/62/135619962.db2.gz HJFLEPAFBHTVAR-UHFFFAOYSA-N 0 0 329.831 3.837 10 0 EHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@@H](C)c1cnn(C)c1)CC2 ZINC000188130376 519840696 /nfs/dbraw/zinc/84/06/96/519840696.db2.gz YYXSIBKLTYXGKA-IFXJQAMLSA-N 0 0 340.471 3.933 10 0 EHAERN Cc1cccc(-c2cc(=O)[nH]c(NCc3cc(F)cc(F)c3)n2)c1 ZINC000057342017 524106463 /nfs/dbraw/zinc/10/64/63/524106463.db2.gz WSUOHJLYPHLFQH-UHFFFAOYSA-N 0 0 327.334 3.636 10 0 EHAERN COc1ccc(OCCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000042850588 524941229 /nfs/dbraw/zinc/94/12/29/524941229.db2.gz HRNXELOAHPGCPD-OLZOCXBDSA-N 0 0 345.361 3.701 10 0 EHAERN CCN(CC)P(=O)(c1c(C)n(C)c2ccccc21)N(CC)CC ZINC000003468204 563485259 /nfs/dbraw/zinc/48/52/59/563485259.db2.gz MQAQDCZRVXVJFU-UHFFFAOYSA-N 0 0 335.432 3.989 10 0 EHAERN C[C@@H](O)c1nc2ccccc2n1Cc1ccccc1Br ZINC000005587060 563541483 /nfs/dbraw/zinc/54/14/83/563541483.db2.gz JXYPRJXESJSZJX-LLVKDONJSA-N 0 0 331.213 3.900 10 0 EHAERN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)ns1)c1ccccn1 ZINC000065307719 563855911 /nfs/dbraw/zinc/85/59/11/563855911.db2.gz GBEVGDLHPDTDOG-NSHDSACASA-N 0 0 327.384 3.835 10 0 EHAERN Cc1cc(C)n(CCCn2ccnc2-c2c(F)ccc(F)c2F)n1 ZINC000067881242 563962961 /nfs/dbraw/zinc/96/29/61/563962961.db2.gz XRWJJCFOVLBTLU-UHFFFAOYSA-N 0 0 334.345 3.871 10 0 EHAERN CSc1nc2c(SC)nc(SC)n(Cc3ccccc3)c-2n1 ZINC000048533164 564031785 /nfs/dbraw/zinc/03/17/85/564031785.db2.gz ZQRWJUVPCSJLBJ-UHFFFAOYSA-N 0 0 348.522 3.992 10 0 EHAERN Cc1ccc(N2C(=O)C(=N)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000048546973 564031849 /nfs/dbraw/zinc/03/18/49/564031849.db2.gz WVWIATKECXWOBP-UHFFFAOYSA-N 0 0 347.296 3.964 10 0 EHAERN Fc1cc(-c2cnc(Br)cn2)ccc1Br ZINC000667414513 564079360 /nfs/dbraw/zinc/07/93/60/564079360.db2.gz JDJGKZFKUVTGIJ-UHFFFAOYSA-N 0 0 331.970 3.808 10 0 EHAERN COc1ccc(C)cc1N(C)C(=O)NCc1noc2ccc(C)cc12 ZINC000006866051 564100077 /nfs/dbraw/zinc/10/00/77/564100077.db2.gz MLZNYYMSWQRWAW-UHFFFAOYSA-N 0 0 339.395 3.799 10 0 EHAERN CCc1ncsc1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 ZINC000328614223 564136898 /nfs/dbraw/zinc/13/68/98/564136898.db2.gz ABAHEQCKFKIQIR-NSHDSACASA-N 0 0 335.498 3.663 10 0 EHAERN CCOC(=O)C(C)(C)[C@@H](O)c1ccc(Br)c(Cl)c1 ZINC000233643457 564177636 /nfs/dbraw/zinc/17/76/36/564177636.db2.gz IGUGDTFIIUDVPA-NSHDSACASA-N 0 0 335.625 3.725 10 0 EHAERN c1ccc2c(c1)cccc2-c1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329740475 1032060191 /nfs/dbraw/zinc/06/01/91/1032060191.db2.gz VKIFRBXUFVPGOL-YJBOKZPZSA-N 0 0 335.407 3.816 10 0 EHAERN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1Cl ZINC000706413953 954948592 /nfs/dbraw/zinc/94/85/92/954948592.db2.gz JSHZWOMIZSXPBX-NSHDSACASA-N 0 0 332.625 3.542 10 0 EHAERN O=C([O-])CC[N@H+](Cc1nc2ccccc2s1)Cc1ccccc1 ZINC000692453583 976487956 /nfs/dbraw/zinc/48/79/56/976487956.db2.gz BLTIPIKUQWBICT-UHFFFAOYSA-N 0 0 326.421 3.773 10 0 EHAERN Cc1oc(C(=O)[O-])cc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702222574 977071230 /nfs/dbraw/zinc/07/12/30/977071230.db2.gz QWXSLGPHOQUKML-UHFFFAOYSA-N 0 0 343.423 3.763 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2[nH]c3c(c2C)C(=O)CCC3)cs1 ZINC000275142993 1016094418 /nfs/dbraw/zinc/09/44/18/1016094418.db2.gz OWQGHGDCOFTTFI-AWEZNQCLSA-N 0 0 343.452 3.584 10 0 EHAERN CCn1cnnc1C1CCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000407963930 1016517687 /nfs/dbraw/zinc/51/76/87/1016517687.db2.gz FMNFCMSCLZNXJC-CVEARBPZSA-N 0 0 346.519 3.857 10 0 EHAERN O=C(CC1(O)CCCCC1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000179725942 1016880407 /nfs/dbraw/zinc/88/04/07/1016880407.db2.gz FOSPUJBETLEGOG-HNNXBMFYSA-N 0 0 337.847 3.755 10 0 EHAERN Cc1csc(-c2cccc(NC(=O)N3CCCO[C@H](C)C3)c2)n1 ZINC000408011435 1016908639 /nfs/dbraw/zinc/90/86/39/1016908639.db2.gz QXDSISXZNSFDJL-CYBMUJFWSA-N 0 0 331.441 3.761 10 0 EHAERN CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3occc32)cc1F ZINC000183477663 1032174275 /nfs/dbraw/zinc/17/42/75/1032174275.db2.gz UYALPEVMFGXFGK-MRXNPFEDSA-N 0 0 344.386 3.674 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3cccc(O)c3)CC2)n1 ZINC000183563591 1032181367 /nfs/dbraw/zinc/18/13/67/1032181367.db2.gz KMOZTESTZMSYAF-AATRIKPKSA-N 0 0 328.437 3.577 10 0 EHAERN CCSc1cc(Cl)ccc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000184219172 1032274881 /nfs/dbraw/zinc/27/48/81/1032274881.db2.gz GMXAUOBJXUKNJM-DOTOQJQBSA-N 0 0 347.867 3.840 10 0 EHAERN O=C(c1ncncc1Cl)N1CCc2c1cccc2-c1ccccc1 ZINC000184383427 1032288975 /nfs/dbraw/zinc/28/89/75/1032288975.db2.gz JUVVHHYWJRJMFJ-UHFFFAOYSA-N 0 0 335.794 4.000 10 0 EHAERN OCC[C@@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccco1 ZINC000185069512 1032362032 /nfs/dbraw/zinc/36/20/32/1032362032.db2.gz GNFDWQNOLGPRJB-CQSZACIVSA-N 0 0 332.787 3.801 10 0 EHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000185388661 1032387081 /nfs/dbraw/zinc/38/70/81/1032387081.db2.gz CERCSOYIOLTUIH-ZQIUZPCESA-N 0 0 343.810 3.898 10 0 EHAERN CCC(CC)CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185507490 1032437296 /nfs/dbraw/zinc/43/72/96/1032437296.db2.gz QRGOYTGDDGSFAR-GOSISDBHSA-N 0 0 334.435 3.562 10 0 EHAERN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000332984715 1017282691 /nfs/dbraw/zinc/28/26/91/1017282691.db2.gz ZJNIFZWRWOVDMG-YYAJDYIMSA-N 0 0 330.472 3.875 10 0 EHAERN C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1ccncc1 ZINC000175333345 1017980157 /nfs/dbraw/zinc/98/01/57/1017980157.db2.gz ONDVLOJFVYACSL-OAHLLOKOSA-N 0 0 331.460 3.523 10 0 EHAERN Cc1ccc2oc(SCc3noc(C4CCOCC4)n3)nc2c1 ZINC000113776849 1018077082 /nfs/dbraw/zinc/07/70/82/1018077082.db2.gz NNVSLKYMFHMRNF-UHFFFAOYSA-N 0 0 331.397 3.706 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cccc4c3OCCC4=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333522858 1019856023 /nfs/dbraw/zinc/85/60/23/1019856023.db2.gz OGKMLUZRSYBDKG-VVILHGPQSA-N 0 0 340.423 3.552 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000333999664 1021571023 /nfs/dbraw/zinc/57/10/23/1021571023.db2.gz QNHPAIRZGVCNPW-UPJWGTAASA-N 0 0 344.427 3.845 10 0 EHAERN Clc1cccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000333814617 1022174267 /nfs/dbraw/zinc/17/42/67/1022174267.db2.gz IQTMMDWAFBHOIJ-QKPAOTATSA-N 0 0 345.830 3.530 10 0 EHAERN O=C(NC[C@@H]1CCCCS1)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333818952 1022197940 /nfs/dbraw/zinc/19/79/40/1022197940.db2.gz JKRUCGWVXAOWDU-RDBSUJKOSA-N 0 0 340.514 3.553 10 0 EHAERN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000333719488 1022200269 /nfs/dbraw/zinc/20/02/69/1022200269.db2.gz NRKIBAIZGVAYQL-MEDUHNTESA-N 0 0 346.381 3.772 10 0 EHAERN COc1ccc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c(OC)c1 ZINC000333823593 1022210323 /nfs/dbraw/zinc/21/03/23/1022210323.db2.gz KGKMGJBTWUQBBQ-FCIKYMEBSA-N 0 0 330.428 3.604 10 0 EHAERN O=C(c1cccc(Cl)c1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127816681 1022401001 /nfs/dbraw/zinc/40/10/01/1022401001.db2.gz ACRJEZHTDLIFSB-ZBEGNZNMSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128219294 1022419716 /nfs/dbraw/zinc/41/97/16/1022419716.db2.gz VSTYXICFGROLHS-XJKSGUPXSA-N 0 0 342.361 3.864 10 0 EHAERN Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128443571 1022435365 /nfs/dbraw/zinc/43/53/65/1022435365.db2.gz OELWUPPSWZOLBL-KDOFPFPSSA-N 0 0 332.469 3.839 10 0 EHAERN O=C(CC[C@H]1CCCO1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000328726464 1022487896 /nfs/dbraw/zinc/48/78/96/1022487896.db2.gz ZQLZATAWVCVWLV-BEFAXECRSA-N 0 0 342.439 3.570 10 0 EHAERN CC(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000101850837 1022745358 /nfs/dbraw/zinc/74/53/58/1022745358.db2.gz VSAFOXPDPGURML-XIRDDKMYSA-N 0 0 348.874 3.638 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1ccccc1OC(F)(F)F ZINC000588451803 1023020600 /nfs/dbraw/zinc/02/06/00/1023020600.db2.gz DOOSWVIWKLHFHO-HJWRWDBZSA-N 0 0 336.313 3.618 10 0 EHAERN CC[C@H](CNC(=O)/C=C\c1ncccc1C)Oc1cccc(F)c1 ZINC000588453348 1023050756 /nfs/dbraw/zinc/05/07/56/1023050756.db2.gz HFYUGUNUYHOLRE-ZBTGYSDGSA-N 0 0 328.387 3.516 10 0 EHAERN CCOc1ccc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)cn1 ZINC000119547675 1033121301 /nfs/dbraw/zinc/12/13/01/1033121301.db2.gz GORHDNBUZWKUNM-DOMZBBRYSA-N 0 0 347.440 3.536 10 0 EHAERN C[C@](O)(CNC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1Cl ZINC000588470319 1023644103 /nfs/dbraw/zinc/64/41/03/1023644103.db2.gz WERUITPTPOFNCT-HMECNJMJSA-N 0 0 347.817 3.906 10 0 EHAERN C[C@@](O)(CNC(=O)C/C=C\c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000588470368 1023645414 /nfs/dbraw/zinc/64/54/14/1023645414.db2.gz OPDDTTLYDRUERE-VSERLBFKSA-N 0 0 347.817 3.906 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000588474692 1023782433 /nfs/dbraw/zinc/78/24/33/1023782433.db2.gz OZWBJMKLLDOVFE-BENRWUELSA-N 0 0 344.361 3.709 10 0 EHAERN O=C(C=Cc1ccnc(Cl)c1)Nc1ccc2[nH]c(=S)[nH]c2c1 ZINC000588478984 1023885129 /nfs/dbraw/zinc/88/51/29/1023885129.db2.gz ODSPSBMBXIEQJW-RJRFIUFISA-N 0 0 330.800 3.552 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)CC2)cn1 ZINC000247435243 1023955534 /nfs/dbraw/zinc/95/55/34/1023955534.db2.gz WZXQGHWOCZTIPZ-HDMKZQKVSA-N 0 0 332.492 3.617 10 0 EHAERN CC(C)c1cc(C(=O)N[C@@H]2COc3ccccc32)nn1C(C)(C)C ZINC000058730007 1023991332 /nfs/dbraw/zinc/99/13/32/1023991332.db2.gz CHTXFMJGPYKRRO-OAHLLOKOSA-N 0 0 327.428 3.625 10 0 EHAERN CC(C)CO[C@H](C)c1noc(CN2NC(=O)CC23CCCCC3)n1 ZINC000329668388 1024025361 /nfs/dbraw/zinc/02/53/61/1024025361.db2.gz LUUGCKLYSGYIMS-CYBMUJFWSA-N 0 0 336.436 3.583 10 0 EHAERN CCC[C@H]1CCCCN1C(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000183050613 1024162276 /nfs/dbraw/zinc/16/22/76/1024162276.db2.gz KFQGMWUNVZNKGZ-HNNXBMFYSA-N 0 0 341.455 3.772 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)CC(C)(C)C1 ZINC000329739483 1024166432 /nfs/dbraw/zinc/16/64/32/1024166432.db2.gz UWNCMNMOAHFLCR-VHDGCEQUSA-N 0 0 331.460 3.725 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)[C@@H](C)c1ccccc1 ZINC000248060673 1024245294 /nfs/dbraw/zinc/24/52/94/1024245294.db2.gz LVGWFGILBDMWDU-NDUPCHFUSA-N 0 0 330.472 3.515 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CCO2)o1 ZINC000151724307 1024498778 /nfs/dbraw/zinc/49/87/78/1024498778.db2.gz NWSCDYISNWFWOB-FMKPAKJESA-N 0 0 331.437 3.662 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000588506142 1025368254 /nfs/dbraw/zinc/36/82/54/1025368254.db2.gz MUJRTHDLLJAZFM-RBJHHQRMSA-N 0 0 340.261 3.591 10 0 EHAERN CN(C)C(=O)N1CCC(c2nc(C(C3CCC3)C3CCC3)no2)CC1 ZINC000329031881 1025574314 /nfs/dbraw/zinc/57/43/14/1025574314.db2.gz XLMYSICGHMISQS-UHFFFAOYSA-N 0 0 346.475 3.614 10 0 EHAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@@H](C)OC1CCCCCC1 ZINC000329258186 1025698233 /nfs/dbraw/zinc/69/82/33/1025698233.db2.gz CGSSPSHKBSRBJK-NVXWUHKLSA-N 0 0 338.492 3.718 10 0 EHAERN C[C@@H]1CCC[C@@H]1c1nc(-c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)no1 ZINC000329555624 1025996619 /nfs/dbraw/zinc/99/66/19/1025996619.db2.gz HCMSGGJAZHDQQE-SBOFIZKASA-N 0 0 340.383 3.740 10 0 EHAERN C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc4c(c3)CCC=C4)n1)OC2 ZINC000329615188 1026077244 /nfs/dbraw/zinc/07/72/44/1026077244.db2.gz SFBAAUMPDVXWSJ-XLIONFOSSA-N 0 0 337.423 3.622 10 0 EHAERN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000047923466 1026214810 /nfs/dbraw/zinc/21/48/10/1026214810.db2.gz OWISPYOXHIVKAR-IAGOWNOFSA-N 0 0 345.830 3.514 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3nc(C)cs3)C2)cc1 ZINC000122123720 1026247597 /nfs/dbraw/zinc/24/75/97/1026247597.db2.gz BVGTWRPMIMDGTJ-HIFRSBDPSA-N 0 0 345.468 3.548 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2cccc(C)c2Cl)c2ccccc2)[nH]1 ZINC000122201898 1026319640 /nfs/dbraw/zinc/31/96/40/1026319640.db2.gz XPKWDIRUZMRANR-INIZCTEOSA-N 0 0 340.814 3.594 10 0 EHAERN O=C(/C=C\c1ccnc2ccccc12)Oc1ccc2c(c1)NC(=O)CC2 ZINC000588538339 1026936201 /nfs/dbraw/zinc/93/62/01/1026936201.db2.gz TVEVTLFMPCPBBY-YFHOEESVSA-N 0 0 344.370 3.738 10 0 EHAERN FC(F)(F)c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)nc1 ZINC000302181028 1027080645 /nfs/dbraw/zinc/08/06/45/1027080645.db2.gz QOQWVTOSYZPMMD-UHFFFAOYSA-N 0 0 338.333 3.745 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)cc1C ZINC000127208538 1027286946 /nfs/dbraw/zinc/28/69/46/1027286946.db2.gz UAUFLKCDEBZLCT-HNNXBMFYSA-N 0 0 342.266 3.867 10 0 EHAERN CCc1cc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)oc1CC ZINC000127407585 1027305907 /nfs/dbraw/zinc/30/59/07/1027305907.db2.gz YYCRPILYVPKOFC-UHFFFAOYSA-N 0 0 341.455 3.507 10 0 EHAERN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC=C(c2ccccc2F)CC1 ZINC000127632814 1027334466 /nfs/dbraw/zinc/33/44/66/1027334466.db2.gz RKMWMOWNSLMTFE-AWEZNQCLSA-N 0 0 349.409 3.913 10 0 EHAERN CCOc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000128257963 1027412486 /nfs/dbraw/zinc/41/24/86/1027412486.db2.gz BFFZRYXJOAALMP-UHFFFAOYSA-N 0 0 345.468 3.937 10 0 EHAERN O=C(/C=C/c1ccc(Cl)nc1)N1CCC[C@H](c2nccs2)C1 ZINC000128613990 1027457398 /nfs/dbraw/zinc/45/73/98/1027457398.db2.gz UVPDHOPLEUTDMU-BPJJOFIESA-N 0 0 333.844 3.611 10 0 EHAERN CCNc1ncc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)s1 ZINC000129122628 1027522389 /nfs/dbraw/zinc/52/23/89/1027522389.db2.gz GBWVHUFXEHYSOB-JSGCOSHPSA-N 0 0 345.468 3.602 10 0 EHAERN Cc1cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)n(-c2ccccn2)n1 ZINC000248419945 1027622925 /nfs/dbraw/zinc/62/29/25/1027622925.db2.gz LKJGLBZGKRCXSQ-CWRNSKLLSA-N 0 0 339.443 3.618 10 0 EHAERN COc1cc(F)c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1OC ZINC000130582241 1027682876 /nfs/dbraw/zinc/68/28/76/1027682876.db2.gz PMIFYAIHTFOWOK-IBGZPJMESA-N 0 0 333.403 3.805 10 0 EHAERN C[C@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1nnc2n1CCCC2 ZINC000130971937 1027720423 /nfs/dbraw/zinc/72/04/23/1027720423.db2.gz HOYBKQUNZPOAJL-SWLSCSKDSA-N 0 0 344.434 3.707 10 0 EHAERN C[C@@H]1COCCN1c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000246111525 1027754431 /nfs/dbraw/zinc/75/44/31/1027754431.db2.gz NNMKXYGWRZEBON-XWPNQZOQSA-N 0 0 342.483 3.671 10 0 EHAERN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C\c1ccc[nH]1 ZINC000588549653 1027790141 /nfs/dbraw/zinc/79/01/41/1027790141.db2.gz KPYWFZXTJPPLKK-ZDILWKDISA-N 0 0 344.455 3.529 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000132790216 1027964192 /nfs/dbraw/zinc/96/41/92/1027964192.db2.gz GVFZSQAEMBKHFB-SCLBCKFNSA-N 0 0 334.375 3.523 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)CCc3ccccc3F)CCO2)o1 ZINC000133658613 1028054353 /nfs/dbraw/zinc/05/43/53/1028054353.db2.gz YQUNRQFVTPEGNB-KUHUBIRLSA-N 0 0 345.414 3.896 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Oc2ccccc2)o1 ZINC000246248335 1028071809 /nfs/dbraw/zinc/07/18/09/1028071809.db2.gz YBNXUGLOJCACST-ZTFGCOKTSA-N 0 0 339.391 3.759 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@H](C)c3ccccc3C)CCO2)o1 ZINC000133840624 1028074023 /nfs/dbraw/zinc/07/40/23/1028074023.db2.gz ASZLOPXKRMOZLS-KXBFYZLASA-N 0 0 327.424 3.990 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)o1 ZINC000134150651 1028099239 /nfs/dbraw/zinc/09/92/39/1028099239.db2.gz VVSKQXGSIAUHIA-KRWDZBQOSA-N 0 0 325.364 3.856 10 0 EHAERN O=C(NCc1ccc(O)c(F)c1)N1CC=C(c2ccccc2F)CC1 ZINC000135300677 1028179632 /nfs/dbraw/zinc/17/96/32/1028179632.db2.gz KLMWTLQXMIFZGL-UHFFFAOYSA-N 0 0 344.361 3.669 10 0 EHAERN O=C(c1c(O)cnc2ccccc21)N1CCC(Oc2ccccc2)CC1 ZINC000136326148 1028247748 /nfs/dbraw/zinc/24/77/48/1028247748.db2.gz HJFGKLORWANFKB-UHFFFAOYSA-N 0 0 348.402 3.624 10 0 EHAERN C[C@@H]1CCC[C@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000055481344 1028274256 /nfs/dbraw/zinc/27/42/56/1028274256.db2.gz KOCOHABBBKMRCG-CABCVRRESA-N 0 0 348.512 3.543 10 0 EHAERN CC(C)Oc1ccccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000137084686 1028287216 /nfs/dbraw/zinc/28/72/16/1028287216.db2.gz BZAGXXHAGVNSLD-INIZCTEOSA-N 0 0 341.411 3.554 10 0 EHAERN CCOc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c(C)c1 ZINC000153604670 1028325222 /nfs/dbraw/zinc/32/52/22/1028325222.db2.gz DKLKIWJIIKUXPA-SFHVURJKSA-N 0 0 344.411 3.901 10 0 EHAERN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000067048210 1028353600 /nfs/dbraw/zinc/35/36/00/1028353600.db2.gz RMIIASMGLBJENT-CQSZACIVSA-N 0 0 338.436 3.553 10 0 EHAERN C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048084 1028355049 /nfs/dbraw/zinc/35/50/49/1028355049.db2.gz UVGNTLLKDXAWHN-UKRRQHHQSA-N 0 0 332.444 3.867 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)COc2c(F)cccc2F)cc1 ZINC000193669054 1028454785 /nfs/dbraw/zinc/45/47/85/1028454785.db2.gz UZVRFHNVGCKUEI-QGZVFWFLSA-N 0 0 347.361 3.716 10 0 EHAERN CC1(C)CCCC[C@@H]1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000194162376 1028496007 /nfs/dbraw/zinc/49/60/07/1028496007.db2.gz WJWKRGFFYUSOPA-GOSISDBHSA-N 0 0 348.531 3.844 10 0 EHAERN CC(C)(C)OC(=O)NCCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000072778117 1028518124 /nfs/dbraw/zinc/51/81/24/1028518124.db2.gz LFIUCXBVSKCVAS-UHFFFAOYSA-N 0 0 344.455 3.607 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(Cl)nc3C)CCO2)o1 ZINC000194599692 1028523577 /nfs/dbraw/zinc/52/35/77/1028523577.db2.gz CCIBCAOHRUYMHS-CQSZACIVSA-N 0 0 335.791 3.550 10 0 EHAERN COCC(C)(C)N(Cc1ccccc1)C(=O)/C=C\c1ncccc1C ZINC000588564574 1028553187 /nfs/dbraw/zinc/55/31/87/1028553187.db2.gz VNANNFRZPYDWRP-SEYXRHQNSA-N 0 0 338.451 3.857 10 0 EHAERN C[C@H](c1ccco1)N(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000195059579 1028572293 /nfs/dbraw/zinc/57/22/93/1028572293.db2.gz ZDGUOOZGBJKMFW-CABCVRRESA-N 0 0 327.428 3.606 10 0 EHAERN C[C@H](c1ccco1)N(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000195059597 1028572596 /nfs/dbraw/zinc/57/25/96/1028572596.db2.gz ZDGUOOZGBJKMFW-HUUCEWRRSA-N 0 0 327.428 3.606 10 0 EHAERN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246474772 1028599383 /nfs/dbraw/zinc/59/93/83/1028599383.db2.gz GDWNIVXUDDGGFM-DQYPLSBCSA-N 0 0 345.418 3.735 10 0 EHAERN CC(=O)Nc1cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1C ZINC000248435128 1028608514 /nfs/dbraw/zinc/60/85/14/1028608514.db2.gz RKHVYDDFZVMODG-QANKJYHBSA-N 0 0 329.444 3.996 10 0 EHAERN Cc1ccc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000195352421 1028634646 /nfs/dbraw/zinc/63/46/46/1028634646.db2.gz DZUKXHQGTYUDII-CYBMUJFWSA-N 0 0 349.887 3.923 10 0 EHAERN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)C[C@H](c2ccsc2)O1 ZINC000246590529 1028667633 /nfs/dbraw/zinc/66/76/33/1028667633.db2.gz TWAYMCCETNIVAD-IRUJWGPZSA-N 0 0 334.268 3.620 10 0 EHAERN O=C(Nc1cc(F)ccc1OC(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246667962 1028675778 /nfs/dbraw/zinc/67/57/78/1028675778.db2.gz DCFLPGNSBPTROZ-DMDPSCGWSA-N 0 0 344.333 3.506 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)C1(c2ccccc2)CCOCC1 ZINC000246727319 1028682450 /nfs/dbraw/zinc/68/24/50/1028682450.db2.gz VSAXESRKLDSEAM-PWRODBHTSA-N 0 0 347.458 3.579 10 0 EHAERN COc1cc(Cl)c(CN2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000246801166 1028695003 /nfs/dbraw/zinc/69/50/03/1028695003.db2.gz QTPPRJVLTWOHKW-HIFRSBDPSA-N 0 0 348.295 3.708 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1C(F)(F)F ZINC000246813436 1028697938 /nfs/dbraw/zinc/69/79/38/1028697938.db2.gz PXACXFLELZNAPW-BPLDGKMQSA-N 0 0 339.357 3.783 10 0 EHAERN COc1c(C)ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1C ZINC000247214476 1028761360 /nfs/dbraw/zinc/76/13/60/1028761360.db2.gz YXIJXSZWMKBCJN-ZTFGCOKTSA-N 0 0 344.455 3.781 10 0 EHAERN O=C(CSc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247669469 1028808299 /nfs/dbraw/zinc/80/82/99/1028808299.db2.gz YJJDPEVUKXRNNI-RRFJBIMHSA-N 0 0 325.861 3.506 10 0 EHAERN Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000247676011 1028810528 /nfs/dbraw/zinc/81/05/28/1028810528.db2.gz ZCLIQJBMPPYJHI-IPMKNSEASA-N 0 0 331.456 3.618 10 0 EHAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000248427878 1028899499 /nfs/dbraw/zinc/89/94/99/1028899499.db2.gz OCTSYPYVUHORSY-YMCQQKJTSA-N 0 0 349.858 3.623 10 0 EHAERN Cc1nc(C(C)(C)NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)sc1C ZINC000076476014 1028991120 /nfs/dbraw/zinc/99/11/20/1028991120.db2.gz LQYLBWSKBBDISR-MEBBXXQBSA-N 0 0 330.453 3.676 10 0 EHAERN CN(Cc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245682985 1029001247 /nfs/dbraw/zinc/00/12/47/1029001247.db2.gz KJHVKXHHRMARGZ-APHBMKBZSA-N 0 0 340.826 3.578 10 0 EHAERN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000245693486 1029019906 /nfs/dbraw/zinc/01/99/06/1029019906.db2.gz PGVNMLRLUUBLLJ-ZBFHGGJFSA-N 0 0 336.407 3.510 10 0 EHAERN O=C(Nc1cccc(SC(F)F)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251682636 1029144671 /nfs/dbraw/zinc/14/46/71/1029144671.db2.gz JBSVVKXDEQVPTO-YNEHKIRRSA-N 0 0 328.384 3.690 10 0 EHAERN CC(=O)Nc1ccccc1CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000245781716 1029290871 /nfs/dbraw/zinc/29/08/71/1029290871.db2.gz ULXMKOLNMROKKB-UGSOOPFHSA-N 0 0 330.453 3.669 10 0 EHAERN CC(C)Oc1cccc(CN(C)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000245856586 1029386787 /nfs/dbraw/zinc/38/67/87/1029386787.db2.gz CMDHUCMFOPCLOL-IPMKNSEASA-N 0 0 346.471 3.573 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000245951182 1029509111 /nfs/dbraw/zinc/50/91/11/1029509111.db2.gz PGFXZLSPDPVSRQ-SIXLDLHFSA-N 0 0 329.465 3.788 10 0 EHAERN C[C@H]1Cc2ccccc2N1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155552612 1029570788 /nfs/dbraw/zinc/57/07/88/1029570788.db2.gz YONUMJWFTRGKRO-AWEZNQCLSA-N 0 0 341.480 3.878 10 0 EHAERN O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246043019 1029595702 /nfs/dbraw/zinc/59/57/02/1029595702.db2.gz OEGWHSPZERLUFA-ZWKOPEQDSA-N 0 0 330.762 3.697 10 0 EHAERN Cc1nnc([C@H](NC(=O)CCCC2CCCC2)c2ccccc2)[nH]1 ZINC000079960082 1029766995 /nfs/dbraw/zinc/76/69/95/1029766995.db2.gz ASUFHVRFSFFBAZ-GOSISDBHSA-N 0 0 326.444 3.679 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(F)ccc3O)C2)cc1 ZINC000080029375 1029813212 /nfs/dbraw/zinc/81/32/12/1029813212.db2.gz BNEYGWWINRLCMS-JSGCOSHPSA-N 0 0 329.371 3.558 10 0 EHAERN C[NH+](C)Cc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000156625832 1029905334 /nfs/dbraw/zinc/90/53/34/1029905334.db2.gz ZVIMBUJCAYXROT-UHFFFAOYSA-N 0 0 326.465 3.739 10 0 EHAERN CCc1onc(C)c1NC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000089419375 1029906073 /nfs/dbraw/zinc/90/60/73/1029906073.db2.gz XLMSQPFSVQHILN-IUODEOHRSA-N 0 0 343.427 3.964 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CSCC(F)(F)F)C2)cc1 ZINC000090420180 1030112772 /nfs/dbraw/zinc/11/27/72/1030112772.db2.gz LZAAHKNIRFKBDI-WCQYABFASA-N 0 0 347.402 3.695 10 0 EHAERN Cc1ccccc1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678297 1030157824 /nfs/dbraw/zinc/15/78/24/1030157824.db2.gz MKJRXNDPXVYFGV-UHFFFAOYSA-N 0 0 347.418 3.622 10 0 EHAERN CC1=NN(c2ccc(C(=O)Nc3cccc(-c4ncon4)c3)cc2)CC1 ZINC000170632271 1030689242 /nfs/dbraw/zinc/68/92/42/1030689242.db2.gz KKDWLKAGDRFICR-UHFFFAOYSA-N 0 0 347.378 3.575 10 0 EHAERN O=C(CCOc1ccccc1Cl)Nc1cccc(-c2ncon2)c1 ZINC000170632332 1030690972 /nfs/dbraw/zinc/69/09/72/1030690972.db2.gz VOTZEXVXIANXKE-UHFFFAOYSA-N 0 0 343.770 3.798 10 0 EHAERN O=C(C=Cc1cccc2ccccc12)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170670752 1030692613 /nfs/dbraw/zinc/69/26/13/1030692613.db2.gz PBWSHMKBHINZJY-ZGKFYVQTSA-N 0 0 331.419 3.982 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3ccsc3)C2)c1 ZINC000157669338 1030730868 /nfs/dbraw/zinc/73/08/68/1030730868.db2.gz PDBHYCLTRYDXQM-LBPRGKRZSA-N 0 0 332.425 3.787 10 0 EHAERN C[C@@]1(C(=O)N[C@@H](c2ccccc2)c2cccnc2)CC1(Cl)Cl ZINC000171226382 1030747780 /nfs/dbraw/zinc/74/77/80/1030747780.db2.gz DBOVSKOPNVFJQH-HOCLYGCPSA-N 0 0 335.234 3.871 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)nc1 ZINC000157705296 1030783134 /nfs/dbraw/zinc/78/31/34/1030783134.db2.gz FPRNKTFPCZDDSC-WOJBJXKFSA-N 0 0 349.478 3.587 10 0 EHAERN CSc1ccccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171612727 1030800039 /nfs/dbraw/zinc/80/00/39/1030800039.db2.gz UJGPAMOGWCVORU-UHFFFAOYSA-N 0 0 326.465 3.898 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)n1 ZINC000171906943 1030850089 /nfs/dbraw/zinc/85/00/89/1030850089.db2.gz IXYIHPGABWZZIE-CQSZACIVSA-N 0 0 344.484 3.572 10 0 EHAERN CCOc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1C ZINC000172018890 1030864188 /nfs/dbraw/zinc/86/41/88/1030864188.db2.gz MMUVVBFVJDNEOJ-OAHLLOKOSA-N 0 0 330.453 3.870 10 0 EHAERN Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000172287217 1030879043 /nfs/dbraw/zinc/87/90/43/1030879043.db2.gz DQCLFHDKLIBRAV-UHFFFAOYSA-N 0 0 348.406 3.898 10 0 EHAERN O=C(Cc1ccccc1OC(F)F)Nc1cccc(-c2ncon2)c1 ZINC000172378699 1030949601 /nfs/dbraw/zinc/94/96/01/1030949601.db2.gz DCYRTVAALFYPEZ-UHFFFAOYSA-N 0 0 345.305 3.519 10 0 EHAERN O=C(c1cccs1)N1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000172920082 1031030814 /nfs/dbraw/zinc/03/08/14/1031030814.db2.gz JWOGSMQTFAGUNK-UHFFFAOYSA-N 0 0 348.512 3.783 10 0 EHAERN CCOCOc1ccc(COC(=O)/C=C\c2ncccc2C)cc1 ZINC000588586032 1031056589 /nfs/dbraw/zinc/05/65/89/1031056589.db2.gz KAJKRHMNBPPDBO-KHPPLWFESA-N 0 0 327.380 3.519 10 0 EHAERN O=C(CCOCC(F)F)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588586034 1031059474 /nfs/dbraw/zinc/05/94/74/1031059474.db2.gz LXJYYTYIPIUPRU-RQOWECAXSA-N 0 0 338.272 3.934 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2ccc(F)c(F)c2)c2ccccc2)[nH]1 ZINC000173379165 1031086128 /nfs/dbraw/zinc/08/61/28/1031086128.db2.gz IXQOPYHEEADBAM-DIFFPNOSSA-N 0 0 328.366 3.832 10 0 EHAERN C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)[C@H]1c1ccccc1 ZINC000173979250 1031140729 /nfs/dbraw/zinc/14/07/29/1031140729.db2.gz QAACJDSACCWJHB-IIBYNOLFSA-N 0 0 348.446 3.642 10 0 EHAERN Cc1cc2cc(NC(=O)N[C@H]3CCCC[C@@H]3n3cccn3)ccc2[nH]1 ZINC000174366742 1031203735 /nfs/dbraw/zinc/20/37/35/1031203735.db2.gz RCAZSBDSNUKFJT-ROUUACIJSA-N 0 0 337.427 3.978 10 0 EHAERN C[C@@H](CC(=O)N1CCC[C@H](c2cc[nH]n2)C1)Cc1cccc(F)c1 ZINC000174305538 1031227069 /nfs/dbraw/zinc/22/70/69/1031227069.db2.gz PNPZWSFBWXDLFK-ZBFHGGJFSA-N 0 0 329.419 3.524 10 0 EHAERN CCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000174918630 1031258833 /nfs/dbraw/zinc/25/88/33/1031258833.db2.gz ZVZBOBGFACZIRO-QZTJIDSGSA-N 0 0 339.439 3.523 10 0 EHAERN CO[C@H](C)c1nc(CN2CCC(c3nc(C)cs3)CC2)cs1 ZINC000175147635 1031282082 /nfs/dbraw/zinc/28/20/82/1031282082.db2.gz OMWICLMJZVAHHJ-GFCCVEGCSA-N 0 0 337.514 3.995 10 0 EHAERN CCc1nnc(-c2cccc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2)o1 ZINC000175364761 1031297701 /nfs/dbraw/zinc/29/77/01/1031297701.db2.gz XGISFFVTTPLIRZ-AWEZNQCLSA-N 0 0 340.210 3.821 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](c4ccccc4)C3)nc21 ZINC000175939229 1031369684 /nfs/dbraw/zinc/36/96/84/1031369684.db2.gz IBTNJFVVBVDVLJ-QGZVFWFLSA-N 0 0 333.435 3.820 10 0 EHAERN Cc1nnc([C@H](NC(=O)CC2CCCCCC2)c2ccccc2)[nH]1 ZINC000176155053 1031419101 /nfs/dbraw/zinc/41/91/01/1031419101.db2.gz VXUFVNJGBAUMEW-GOSISDBHSA-N 0 0 326.444 3.679 10 0 EHAERN CC[C@H](C)CN(CC)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000176649261 1031469069 /nfs/dbraw/zinc/46/90/69/1031469069.db2.gz KYCNIEKICPDAPJ-HNNXBMFYSA-N 0 0 348.462 3.573 10 0 EHAERN C[C@@H]1C[C@H](Cc2nc([C@@H]3CN4CCC[C@H]4CO3)no2)CC(C)(C)C1 ZINC000329641989 1031568229 /nfs/dbraw/zinc/56/82/29/1031568229.db2.gz CUIAGBFGDOCNSV-WCVJEAGWSA-N 0 0 333.476 3.610 10 0 EHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ncncc1Cl ZINC000178069762 1031617444 /nfs/dbraw/zinc/61/74/44/1031617444.db2.gz SZWSMAJRNNOLHR-CQSZACIVSA-N 0 0 343.814 3.696 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3coc(-c4cccs4)n3)CCO2)o1 ZINC000158790061 1031628110 /nfs/dbraw/zinc/62/81/10/1031628110.db2.gz NPAOOROZHKNYMK-OAHLLOKOSA-N 0 0 330.409 3.878 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NCc3cc4ccccc4o3)CCO2)o1 ZINC000179159944 1031753679 /nfs/dbraw/zinc/75/36/79/1031753679.db2.gz GOWMQKQXBBQALA-SFHVURJKSA-N 0 0 340.379 3.617 10 0 EHAERN COc1cc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(OC)cc1Cl ZINC000117573408 1031756549 /nfs/dbraw/zinc/75/65/49/1031756549.db2.gz PQDIBILDZLWEQF-DYZYQPBXSA-N 0 0 347.798 3.860 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1coc(-c2cccs2)n1 ZINC000117588470 1031759147 /nfs/dbraw/zinc/75/91/47/1031759147.db2.gz CTTQFFJROSCCCL-BZNIZROVSA-N 0 0 340.404 3.584 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000117623262 1031783328 /nfs/dbraw/zinc/78/33/28/1031783328.db2.gz RFZHGBKBVDUFCK-KZULUSFZSA-N 0 0 337.354 3.515 10 0 EHAERN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2Oc3ccccc3[C@H]2C)s1 ZINC000117654487 1031790332 /nfs/dbraw/zinc/79/03/32/1031790332.db2.gz OGFFDANWMXTYNX-RSAASHCRSA-N 0 0 330.453 3.844 10 0 EHAERN CC[C@@]1(c2ccc(N[C@@H](C)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000179608512 1031793318 /nfs/dbraw/zinc/79/33/18/1031793318.db2.gz APSASKTVPFZHCI-BTYIYWSLSA-N 0 0 336.435 3.944 10 0 EHAERN CC[C@@H](CSC)NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000179960396 1031824314 /nfs/dbraw/zinc/82/43/14/1031824314.db2.gz ZTYNVNCPLGKANU-ZDUSSCGKSA-N 0 0 339.480 3.553 10 0 EHAERN O=C(c1ncccc1C(F)(F)F)N1CCC(Cc2ccccn2)CC1 ZINC000180183651 1031865116 /nfs/dbraw/zinc/86/51/16/1031865116.db2.gz NDBPHRNOQMAWPI-UHFFFAOYSA-N 0 0 349.356 3.590 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)CCCc3ccccc3)CC2)nc1 ZINC000180861282 1031916705 /nfs/dbraw/zinc/91/67/05/1031916705.db2.gz LGLYWVXJXPZEQN-UHFFFAOYSA-N 0 0 338.451 3.783 10 0 EHAERN Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc(C)cc3C)CCO2)o1 ZINC000159166030 1031919831 /nfs/dbraw/zinc/91/98/31/1031919831.db2.gz WKNQSHMVDSPYOR-LPHOPBHVSA-N 0 0 342.439 3.605 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)NCCCCOC(C)C)C2)cc1 ZINC000181946818 1032045188 /nfs/dbraw/zinc/04/51/88/1032045188.db2.gz IYDUKPNDLMXJQX-WMZOPIPTSA-N 0 0 348.487 3.788 10 0 EHAERN CC[C@@H](NC(=O)N(C)CCc1ccccc1OC)c1nc(C)cs1 ZINC000105303530 1033433189 /nfs/dbraw/zinc/43/31/89/1033433189.db2.gz LXOZWIOKXSZDCQ-OAHLLOKOSA-N 0 0 347.484 3.795 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC(n2ccnc2)CC1 ZINC000120331427 1033700030 /nfs/dbraw/zinc/70/00/30/1033700030.db2.gz NLGVYZWYQJTWHX-UHFFFAOYSA-N 0 0 344.465 3.545 10 0 EHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000120707651 1034079831 /nfs/dbraw/zinc/07/98/31/1034079831.db2.gz QUVGCFHQIPNGRZ-ZTHSPGPESA-N 0 0 339.357 3.746 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3n[nH]c4ccccc43)C2)cc1 ZINC000121271262 1034618972 /nfs/dbraw/zinc/61/89/72/1034618972.db2.gz IFYGTPAAUMIMOI-DZGCQCFKSA-N 0 0 335.407 3.590 10 0 EHAERN CCCN(C(=O)c1cnc(C2CC2)nc1)[C@@H]1CCCc2cccnc21 ZINC000451010797 1035028466 /nfs/dbraw/zinc/02/84/66/1035028466.db2.gz VTTPPXNVJDEMIN-QGZVFWFLSA-N 0 0 336.439 3.679 10 0 EHAERN O=C(c1ccc2c(c1O)CCCC2)N1CCC[C@H](c2nccs2)C1 ZINC000185815457 1035516194 /nfs/dbraw/zinc/51/61/94/1035516194.db2.gz HJCKZLCQYPLSIF-AWEZNQCLSA-N 0 0 342.464 3.747 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)/C(C)=C/C(C)(C)C)c2ccc(F)cc2C1 ZINC000185939116 1035543986 /nfs/dbraw/zinc/54/39/86/1035543986.db2.gz DIFORNSHZSAQFF-IYPOZPNPSA-N 0 0 346.446 3.728 10 0 EHAERN O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000185941368 1035544129 /nfs/dbraw/zinc/54/41/29/1035544129.db2.gz HYRPFGMVFMBBCM-RBUKOAKNSA-N 0 0 348.406 3.728 10 0 EHAERN O=C(CSC[C@@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 ZINC000186138011 1035588610 /nfs/dbraw/zinc/58/86/10/1035588610.db2.gz NTCHHAUUKZSWGQ-INIZCTEOSA-N 0 0 349.471 3.744 10 0 EHAERN COc1ccccc1C[C@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186529671 1035655566 /nfs/dbraw/zinc/65/55/66/1035655566.db2.gz CVBXTPFRSIVPQK-ZDUSSCGKSA-N 0 0 325.412 3.716 10 0 EHAERN CCc1ccccc1CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186594332 1035663414 /nfs/dbraw/zinc/66/34/14/1035663414.db2.gz ZADUCMSQGWVDPQ-UHFFFAOYSA-N 0 0 338.411 3.548 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@@H]2CCCC[C@@H]21 ZINC000186663015 1035680705 /nfs/dbraw/zinc/68/07/05/1035680705.db2.gz QNXSEJGDZSREQQ-SRCQZFHVSA-N 0 0 342.443 3.706 10 0 EHAERN CN1Cc2cc(NC(=O)NCCC3=CCCCC3)ccc2NC1=O ZINC000186683326 1035683542 /nfs/dbraw/zinc/68/35/42/1035683542.db2.gz HKHORZBVWPHMNK-UHFFFAOYSA-N 0 0 328.416 3.676 10 0 EHAERN CCCO[C@@H]1CCCN(C(=O)Cc2ccc(OC(C)C)cc2)CC1 ZINC000187770392 1035860725 /nfs/dbraw/zinc/86/07/25/1035860725.db2.gz ILQVHOCTNLTCPZ-GOSISDBHSA-N 0 0 333.472 3.824 10 0 EHAERN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000188262207 1035925206 /nfs/dbraw/zinc/92/52/06/1035925206.db2.gz IJHUDLOJCMMBKX-ZDUSSCGKSA-N 0 0 341.361 3.861 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1cccc(F)c1 ZINC000188565203 1035952008 /nfs/dbraw/zinc/95/20/08/1035952008.db2.gz QIJXCUQPHYSKMY-KRWDZBQOSA-N 0 0 328.387 3.799 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccccc1N(C)C ZINC000188613796 1035963569 /nfs/dbraw/zinc/96/35/69/1035963569.db2.gz QKCVKCQVGQJXKR-HNNXBMFYSA-N 0 0 325.412 3.706 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CC2(CCCC2)c2ccccc21 ZINC000188624272 1035966707 /nfs/dbraw/zinc/96/67/07/1035966707.db2.gz MBHSOVYFBIKPQZ-UHFFFAOYSA-N 0 0 332.403 3.653 10 0 EHAERN O=C(c1csc(C(F)(F)F)n1)N1CCC[C@@H](c2nccs2)C1 ZINC000189386945 1036064061 /nfs/dbraw/zinc/06/40/61/1036064061.db2.gz MAXSVJOJRSWBJA-MRVPVSSYSA-N 0 0 347.387 3.638 10 0 EHAERN CC(C)c1csc(CNC(=O)N[C@@H]2CCCc3c(O)cccc32)n1 ZINC000189596128 1036094076 /nfs/dbraw/zinc/09/40/76/1036094076.db2.gz ZBGYKWOVXKPOSQ-CQSZACIVSA-N 0 0 345.468 3.849 10 0 EHAERN COc1ccc(NC(=O)N[C@H]2CCOc3c(C)cccc32)c(C)c1 ZINC000189632763 1036102374 /nfs/dbraw/zinc/10/23/74/1036102374.db2.gz GBXKTOZXRSVRDL-KRWDZBQOSA-N 0 0 326.396 3.957 10 0 EHAERN O=C(c1cc(F)cc(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189853321 1036155853 /nfs/dbraw/zinc/15/58/53/1036155853.db2.gz ZEILXJFCOYNSRW-UHFFFAOYSA-N 0 0 329.346 3.673 10 0 EHAERN CC1CCN(c2ccc(NC(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)cc2)CC1 ZINC000189908598 1036162439 /nfs/dbraw/zinc/16/24/39/1036162439.db2.gz AWSHHYMONHXNEO-QRVBRYPASA-N 0 0 343.471 3.612 10 0 EHAERN Fc1cc(CN2CCC(Nc3nccs3)CC2)cc(F)c1F ZINC000189951046 1036167880 /nfs/dbraw/zinc/16/78/80/1036167880.db2.gz VLYIKKIGVCHVJT-UHFFFAOYSA-N 0 0 327.375 3.637 10 0 EHAERN COCCC[C@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190263182 1036212872 /nfs/dbraw/zinc/21/28/72/1036212872.db2.gz YAVFFDRSZTZWOA-KBPBESRZSA-N 0 0 325.399 3.734 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)N[C@H]2CCOc3c(C)cccc32)n1 ZINC000190502286 1036255803 /nfs/dbraw/zinc/25/58/03/1036255803.db2.gz HZBKTELUVBCIHU-OCCSQVGLSA-N 0 0 331.441 3.644 10 0 EHAERN CN1Cc2cc(NCc3ccc(Br)o3)ccc2NC1=O ZINC000191615232 1036400298 /nfs/dbraw/zinc/40/02/98/1036400298.db2.gz XUHHUKIDIRIPMA-UHFFFAOYSA-N 0 0 336.189 3.632 10 0 EHAERN O=S1(=O)CC[C@@H](Nc2ccsc2Cl)c2cc(F)ccc21 ZINC000373689349 1036858841 /nfs/dbraw/zinc/85/88/41/1036858841.db2.gz FCFTVEOPXFBIKF-SNVBAGLBSA-N 0 0 331.821 3.871 10 0 EHAERN Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103729325 1036936847 /nfs/dbraw/zinc/93/68/47/1036936847.db2.gz ATYKYXWLVGVZRE-UHFFFAOYSA-N 0 0 348.193 3.530 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)c1coc(Br)c1 ZINC000104462087 1037043424 /nfs/dbraw/zinc/04/34/24/1037043424.db2.gz SJNVBOCXDYGRGB-UHFFFAOYSA-N 0 0 340.173 3.702 10 0 EHAERN O=C(c1ccoc1Br)N1CCC[C@H](c2nccs2)C1 ZINC000193537974 1037162839 /nfs/dbraw/zinc/16/28/39/1037162839.db2.gz GPJJRQOGRFAOAB-VIFPVBQESA-N 0 0 341.230 3.518 10 0 EHAERN CC[C@H](CC(=O)NCc1ccc(OC)c(OC(F)F)c1)C(C)C ZINC000104252141 1037249699 /nfs/dbraw/zinc/24/96/99/1037249699.db2.gz XKRULZYFSHFMRK-CYBMUJFWSA-N 0 0 329.387 3.985 10 0 EHAERN COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000104710024 1037349968 /nfs/dbraw/zinc/34/99/68/1037349968.db2.gz MPIHJVLZMRMCLH-KRWDZBQOSA-N 0 0 340.467 3.814 10 0 EHAERN CC(C)[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(F)cc1F ZINC000366333579 1037799404 /nfs/dbraw/zinc/79/94/04/1037799404.db2.gz YKKNNCFEDCGEIN-AEFFLSMTSA-N 0 0 340.414 3.608 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114804266 1037811513 /nfs/dbraw/zinc/81/15/13/1037811513.db2.gz NYIQNWIESMEQDJ-ZDUSSCGKSA-N 0 0 331.441 3.953 10 0 EHAERN O=C(COC1CCCCC1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115219710 1037821648 /nfs/dbraw/zinc/82/16/48/1037821648.db2.gz YSGHRILNSAZKGV-UHFFFAOYSA-N 0 0 335.419 3.545 10 0 EHAERN C[C@H](NC(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccncc1 ZINC000115648860 1037829559 /nfs/dbraw/zinc/82/95/59/1037829559.db2.gz MULHDZKBWSBNBZ-AWEZNQCLSA-N 0 0 343.402 3.535 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116186415 1037837439 /nfs/dbraw/zinc/83/74/39/1037837439.db2.gz MVZMIYUHPGVEJQ-QWHCGFSZSA-N 0 0 341.317 3.757 10 0 EHAERN CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117601288 1037855494 /nfs/dbraw/zinc/85/54/94/1037855494.db2.gz JNWABBPLFUVPPI-FZKQIMNGSA-N 0 0 338.407 3.784 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117652093 1037857141 /nfs/dbraw/zinc/85/71/41/1037857141.db2.gz CTCHCMHEEGRWBF-KPZWWZAWSA-N 0 0 327.380 3.597 10 0 EHAERN COCCOc1cc(C)ccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117621055 1037858320 /nfs/dbraw/zinc/85/83/20/1037858320.db2.gz FSKXERCINOZTMI-KUHUBIRLSA-N 0 0 341.407 3.523 10 0 EHAERN O=C(c1ccn(-c2ccccc2)n1)N1CC=C(c2cccs2)CC1 ZINC000117719437 1037861664 /nfs/dbraw/zinc/86/16/64/1037861664.db2.gz OYQSBRVLJWRINT-UHFFFAOYSA-N 0 0 335.432 3.863 10 0 EHAERN COCc1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117958667 1037864047 /nfs/dbraw/zinc/86/40/47/1037864047.db2.gz IKHKSPPBAHSSRC-UHFFFAOYSA-N 0 0 342.464 3.893 10 0 EHAERN CCc1nnc(NC(=O)N2CC=C(c3ccccc3F)CC2)s1 ZINC000119598555 1037905919 /nfs/dbraw/zinc/90/59/19/1037905919.db2.gz KUAIJQYWXNAQAV-UHFFFAOYSA-N 0 0 332.404 3.561 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@H](C)c2cc3ccccc3o2)no1 ZINC000332812445 1037957334 /nfs/dbraw/zinc/95/73/34/1037957334.db2.gz NMMZXPHGEGSTDY-BXUZGUMPSA-N 0 0 340.383 3.732 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@H]1c1ncon1 ZINC000123860872 1038092730 /nfs/dbraw/zinc/09/27/30/1038092730.db2.gz DWBNCDJGOILPMU-LBPRGKRZSA-N 0 0 346.437 3.622 10 0 EHAERN COCCC1(CNC(=O)N2CC=C(c3cccs3)CC2)CCC1 ZINC000124247457 1038157869 /nfs/dbraw/zinc/15/78/69/1038157869.db2.gz BDEDBIJNPDDJPR-UHFFFAOYSA-N 0 0 334.485 3.754 10 0 EHAERN COc1ccccc1-c1nnc(CNc2cccc(C)c2C(C)=O)o1 ZINC000125071074 1038272894 /nfs/dbraw/zinc/27/28/94/1038272894.db2.gz CLYFAECUCVLDOG-UHFFFAOYSA-N 0 0 337.379 3.868 10 0 EHAERN COc1ccc(C[C@@H](C)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000125104075 1038281769 /nfs/dbraw/zinc/28/17/69/1038281769.db2.gz BWVYEPSTIGSHSC-CYBMUJFWSA-N 0 0 337.379 3.563 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(F)nc3)C2)cc1 ZINC000125351664 1038316723 /nfs/dbraw/zinc/31/67/23/1038316723.db2.gz IMVHKIAGSYDDIE-TZMCWYRMSA-N 0 0 329.375 3.639 10 0 EHAERN CCn1cnnc1[C@@H]1CCCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000247746512 1039044439 /nfs/dbraw/zinc/04/44/39/1039044439.db2.gz YFEJENWMIVXVOJ-BRWVUGGUSA-N 0 0 346.519 3.857 10 0 EHAERN O=C(c1cnc(-c2ccsc2)s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151186926 1039844999 /nfs/dbraw/zinc/84/49/99/1039844999.db2.gz AGYGECYWMAETBP-DYVFJYSZSA-N 0 0 348.493 3.639 10 0 EHAERN CCc1ccc(CC)c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000151424770 1040103092 /nfs/dbraw/zinc/10/30/92/1040103092.db2.gz KXYYVTPULHVLTQ-YLJYHZDGSA-N 0 0 330.472 3.970 10 0 EHAERN COc1cc(OC)c(CN[C@H]2CCOc3c(C)cccc32)c(OC)c1 ZINC000188945714 1040124881 /nfs/dbraw/zinc/12/48/81/1040124881.db2.gz UFYAMHVMAKCMGB-KRWDZBQOSA-N 0 0 343.423 3.634 10 0 EHAERN Cc1nc(-c2ccc(C)c(NC(=O)N3CC[C@H](C)C[C@@H](C)C3)c2)n[nH]1 ZINC000408437542 1040141539 /nfs/dbraw/zinc/14/15/39/1040141539.db2.gz WUAFAOJXMLWRKB-QWHCGFSZSA-N 0 0 341.459 3.988 10 0 EHAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCc3c(O)cccc32)C1 ZINC000250744354 1040153968 /nfs/dbraw/zinc/15/39/68/1040153968.db2.gz QQVBUGNBPZEQPH-ZENOOKHLSA-N 0 0 334.485 3.743 10 0 EHAERN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151527699 1040201812 /nfs/dbraw/zinc/20/18/12/1040201812.db2.gz GRTWXTYAWJQOQC-UGSOOPFHSA-N 0 0 333.815 3.853 10 0 EHAERN CCc1nccn1[C@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000105897397 1040908622 /nfs/dbraw/zinc/90/86/22/1040908622.db2.gz VUFIHQFLRQKLAZ-KBPBESRZSA-N 0 0 331.464 3.524 10 0 EHAERN O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000333038625 1041096402 /nfs/dbraw/zinc/09/64/02/1041096402.db2.gz AAIHGZFKUWBPNS-AGIUHOORSA-N 0 0 344.427 3.703 10 0 EHAERN C[C@@H](NC(=O)NC1CCC2(CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000333069266 1041203937 /nfs/dbraw/zinc/20/39/37/1041203937.db2.gz UQSKGJBOJRRAKI-CYBMUJFWSA-N 0 0 330.428 3.541 10 0 EHAERN Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(C)c1 ZINC000408147906 1041801603 /nfs/dbraw/zinc/80/16/03/1041801603.db2.gz JGJZWWJZILIHRC-DFQSSKMNSA-N 0 0 344.499 3.837 10 0 EHAERN O[C@]12CCCC[C@@H]1CN(c1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000301721104 1041849912 /nfs/dbraw/zinc/84/99/12/1041849912.db2.gz QGAYFVXOXRVVSP-DYVFJYSZSA-N 0 0 333.819 3.521 10 0 EHAERN CC(C)c1nc([C@H]2COCCN2C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000408156783 1041894416 /nfs/dbraw/zinc/89/44/16/1041894416.db2.gz BYRKDBWEHOSIEW-RBSFLKMASA-N 0 0 349.475 3.555 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N(C)C2CCC(CO)CC2)c2ccccc21 ZINC000153116368 1042560872 /nfs/dbraw/zinc/56/08/72/1042560872.db2.gz FMBHFQKZRKSYLI-QAVIERHMSA-N 0 0 330.472 3.818 10 0 EHAERN CC[C@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1nccs1 ZINC000162526820 1042733422 /nfs/dbraw/zinc/73/34/22/1042733422.db2.gz WWTHKEQFVCKNRD-INIZCTEOSA-N 0 0 345.468 3.847 10 0 EHAERN COc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162510966 1042736463 /nfs/dbraw/zinc/73/64/63/1042736463.db2.gz QIJQUBXPFDJMNY-KZULUSFZSA-N 0 0 340.402 3.701 10 0 EHAERN CC[C@@H](N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000162516097 1042736473 /nfs/dbraw/zinc/73/64/73/1042736473.db2.gz XHFLWGBOACZDOR-UYAOXDASSA-N 0 0 348.450 3.878 10 0 EHAERN COc1ccc(-c2cnc(CCC(=O)N3CC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000330291979 1042836985 /nfs/dbraw/zinc/83/69/85/1042836985.db2.gz DBAKDOVQNGTHBB-PBHICJAKSA-N 0 0 340.423 3.684 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCS[C@H](C)CC2)c(Cl)c1 ZINC000408364948 1043812145 /nfs/dbraw/zinc/81/21/45/1043812145.db2.gz CQUSENBVLIZFDY-SNVBAGLBSA-N 0 0 341.864 3.658 10 0 EHAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000408365691 1043815147 /nfs/dbraw/zinc/81/51/47/1043815147.db2.gz IAULTMMTUPVUSJ-GGZOMVNGSA-N 0 0 333.190 3.822 10 0 EHAERN CC1(C)Cc2cc(NC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc2O1 ZINC000268944978 1128729484 /nfs/dbraw/zinc/72/94/84/1128729484.db2.gz AZWDNMTZYZVKGB-YWZLYKJASA-N 0 0 344.455 3.559 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cc4ccccc4oc3=O)c21 ZINC000103129885 1132710771 /nfs/dbraw/zinc/71/07/71/1132710771.db2.gz JYPKPUIRKARDRK-UHFFFAOYSA-N 0 0 346.386 3.555 10 0 EHAERN CC[C@@H](C)c1ccc(OC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000105755239 1135969512 /nfs/dbraw/zinc/96/95/12/1135969512.db2.gz XNPHSCGBMDNBSB-RHSMWYFYSA-N 0 0 329.440 3.754 10 0 EHAERN Cc1ccc(C(C)C)cc1OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000105755196 1135969531 /nfs/dbraw/zinc/96/95/31/1135969531.db2.gz SHWFHUSNFWCHPU-KRWDZBQOSA-N 0 0 329.440 3.672 10 0 EHAERN COCc1ccccc1NC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103235299 1137875580 /nfs/dbraw/zinc/87/55/80/1137875580.db2.gz MYQAXAUPWGTWCH-UHFFFAOYSA-N 0 0 337.423 3.987 10 0 EHAERN CC1(C)OCC[C@@H]1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333243984 1137959182 /nfs/dbraw/zinc/95/91/82/1137959182.db2.gz QOPNYSMYURSGMU-WBVHZDCISA-N 0 0 344.455 3.690 10 0 EHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000333814465 1138334142 /nfs/dbraw/zinc/33/41/42/1138334142.db2.gz QCRVTSXETPHBGX-CQSZACIVSA-N 0 0 337.851 3.712 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc([C@H](C)O)cc2)cs1 ZINC000186706212 1140217903 /nfs/dbraw/zinc/21/79/03/1140217903.db2.gz MLZVNHLMZNXRFN-SJCJKPOMSA-N 0 0 345.468 3.552 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(F)c(F)c2F)cs1 ZINC000187124618 1140240332 /nfs/dbraw/zinc/24/03/32/1140240332.db2.gz UTDXMWLWTVQOSL-LBPRGKRZSA-N 0 0 326.343 3.846 10 0 EHAERN Cc1nc([C@@H]2CCCN2C[C@@H]2CN(c3ccccc3)C(=O)O2)cs1 ZINC000189848641 1140368378 /nfs/dbraw/zinc/36/83/78/1140368378.db2.gz UFCGJITYFVRWEP-WBVHZDCISA-N 0 0 343.452 3.614 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CNc2c(C)cccc2C)cs1 ZINC000190009068 1140379698 /nfs/dbraw/zinc/37/96/98/1140379698.db2.gz SHOWIHSERSVXIV-INIZCTEOSA-N 0 0 329.469 3.844 10 0 EHAERN COCCC[C@H](O)c1ccc(Br)cc1C(F)(F)F ZINC000054270170 214228297 /nfs/dbraw/zinc/22/82/97/214228297.db2.gz CCMRYWPTONYPLC-NSHDSACASA-N 0 0 327.140 3.928 10 0 EHAERN Cc1cc2ccccc2n1-c1ccc(C(=O)NC[C@@H]2CCCO2)s1 ZINC000006914102 201705719 /nfs/dbraw/zinc/70/57/19/201705719.db2.gz IBARYKVVOGTVIK-HNNXBMFYSA-N 0 0 340.448 3.909 10 0 EHAERN Cc1cc(Br)cc(C)c1OCC(=O)N1CCCCCC1 ZINC000012489707 201849630 /nfs/dbraw/zinc/84/96/30/201849630.db2.gz SEHVUVYGJVHOTR-UHFFFAOYSA-N 0 0 340.261 3.847 10 0 EHAERN C[C@H]1CN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)C[C@H](C)O1 ZINC000017325783 201989286 /nfs/dbraw/zinc/98/92/86/201989286.db2.gz HDDHJGHJKFLAEZ-GJZGRUSLSA-N 0 0 347.418 3.546 10 0 EHAERN O[C@H](CNc1cc(Br)ccc1F)c1ccccc1F ZINC000037891762 202052705 /nfs/dbraw/zinc/05/27/05/202052705.db2.gz OOHIKXURKJBTMJ-CQSZACIVSA-N 0 0 328.156 3.873 10 0 EHAERN O=C(Nc1ccc(NC(=O)C2CCCCC2)c(O)c1)c1ccco1 ZINC000021126118 202061973 /nfs/dbraw/zinc/06/19/73/202061973.db2.gz PXCAFAKEFGCGTG-UHFFFAOYSA-N 0 0 328.368 3.756 10 0 EHAERN C[C@@H](Nc1ccnc(C(=O)N(C)C)c1)c1cccc(Br)c1 ZINC000038012626 202084693 /nfs/dbraw/zinc/08/46/93/202084693.db2.gz JBKVCQLSEACNTJ-LLVKDONJSA-N 0 0 348.244 3.719 10 0 EHAERN CCOC(=O)[C@@](C)(NCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037973763 202070601 /nfs/dbraw/zinc/07/06/01/202070601.db2.gz WYMXFGJWWWCPMK-LBPRGKRZSA-N 0 0 344.160 3.924 10 0 EHAERN CCOC(=O)[C@H](NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000037973886 202070793 /nfs/dbraw/zinc/07/07/93/202070793.db2.gz HWNHOFDENRLVEN-SNVBAGLBSA-N 0 0 330.133 3.750 10 0 EHAERN Nc1ccc(-c2nccn2Cc2ccc(Br)cc2)cc1 ZINC000037974208 202071425 /nfs/dbraw/zinc/07/14/25/202071425.db2.gz VBOUYEOVBNOXKE-UHFFFAOYSA-N 0 0 328.213 3.943 10 0 EHAERN C[C@@H](NC(=O)c1ccnc(Cl)c1)c1ccccc1Br ZINC000025385424 202131451 /nfs/dbraw/zinc/13/14/51/202131451.db2.gz AKOWJOTYOQSCQK-SECBINFHSA-N 0 0 339.620 3.989 10 0 EHAERN CC(C)(C)c1cccc(NC(=O)CCc2nc3ccccc3[nH]c2=O)c1 ZINC000028183006 202165316 /nfs/dbraw/zinc/16/53/16/202165316.db2.gz XZWVMMRZXNLDPH-UHFFFAOYSA-N 0 0 349.434 3.792 10 0 EHAERN COc1ccc(C)cc1NC(=O)CN1C[C@@H](C)Sc2ccccc21 ZINC000033059239 202248728 /nfs/dbraw/zinc/24/87/28/202248728.db2.gz MUBKJCGKBXWWDZ-CQSZACIVSA-N 0 0 342.464 3.943 10 0 EHAERN CCN(C1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(OC)cc1 ZINC000032911862 202241648 /nfs/dbraw/zinc/24/16/48/202241648.db2.gz AQXISCGAGAAJNM-UHFFFAOYSA-N 0 0 349.496 3.531 10 0 EHAERN CC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 ZINC000033297233 202256080 /nfs/dbraw/zinc/25/60/80/202256080.db2.gz IXNTXFIQHQTZPW-WCIBSUBMSA-N 0 0 342.395 3.555 10 0 EHAERN O=C(OCc1ccc(Cl)cc1)C(=O)OCc1ccc(Cl)cc1 ZINC000034257418 202272723 /nfs/dbraw/zinc/27/27/23/202272723.db2.gz QWHCTYYBLDCYIT-UHFFFAOYSA-N 0 0 339.174 3.780 10 0 EHAERN COc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCCC2)c(OC)c1 ZINC000034795979 202277942 /nfs/dbraw/zinc/27/79/42/202277942.db2.gz JNTKFWOSUXSWBP-UHFFFAOYSA-N 0 0 329.400 3.531 10 0 EHAERN CCCC(=O)Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1 ZINC000035512449 202305723 /nfs/dbraw/zinc/30/57/23/202305723.db2.gz NEUHHWPIIVOWHG-UHFFFAOYSA-N 0 0 328.456 3.906 10 0 EHAERN Cc1c(N)cccc1COc1ccc(I)cc1 ZINC000035649490 202308326 /nfs/dbraw/zinc/30/83/26/202308326.db2.gz UBPXCVTVWHPJAS-UHFFFAOYSA-N 0 0 339.176 3.761 10 0 EHAERN CCN(Cc1cc(-c2ccc(OC)cc2)on1)C(=O)c1ccco1 ZINC000036004644 202311593 /nfs/dbraw/zinc/31/15/93/202311593.db2.gz VGDBGOLQDRRJTN-UHFFFAOYSA-N 0 0 326.352 3.606 10 0 EHAERN CCOC(=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OC)cc13 ZINC000036433507 202325944 /nfs/dbraw/zinc/32/59/44/202325944.db2.gz PQYFVPFRIKQRBG-KPFFTGBYSA-N 0 0 329.440 3.910 10 0 in-vitro EHAERN COc1ccc(F)cc1C(=O)c1cc(F)ccc1Br ZINC000037362402 202340523 /nfs/dbraw/zinc/34/05/23/202340523.db2.gz YRQCGCFMRCSKMP-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN CCOC(=O)[C@](CC)(NC(C)C)c1ccc(Br)cc1 ZINC000037446130 202342632 /nfs/dbraw/zinc/34/26/32/202342632.db2.gz KTMJZKPIHMYVOD-OAHLLOKOSA-N 0 0 328.250 3.616 10 0 EHAERN CCn1cc(N[C@H](C)c2sccc2Br)ccc1=O ZINC000037774057 202363548 /nfs/dbraw/zinc/36/35/48/202363548.db2.gz ZTYUZJMTEYHMKB-SECBINFHSA-N 0 0 327.247 3.865 10 0 EHAERN NC(=O)[C@@H](Nc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000037942530 202379231 /nfs/dbraw/zinc/37/92/31/202379231.db2.gz ISDYTSMXVLYJIC-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN C[C@@H](CCc1ccccc1)n1c(=O)[nH]c2ccc(Cl)cc2c1=O ZINC000073658256 202370526 /nfs/dbraw/zinc/37/05/26/202370526.db2.gz HYADVYGJECVPBT-LBPRGKRZSA-N 0 0 328.799 3.537 10 0 EHAERN CCOC(=O)[C@@H](N[C@H](C)CC)c1ccc(F)c(Br)c1 ZINC000038067596 202391442 /nfs/dbraw/zinc/39/14/42/202391442.db2.gz YJWPLCMECCBGGQ-RNCFNFMXSA-N 0 0 332.213 3.581 10 0 EHAERN CCOC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000040226061 202429563 /nfs/dbraw/zinc/42/95/63/202429563.db2.gz KVXKIWFCCISTKZ-UHFFFAOYSA-N 0 0 328.799 3.844 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3ccccc3F)c2N)cc1 ZINC000040759172 202463355 /nfs/dbraw/zinc/46/33/55/202463355.db2.gz MSXXNPSRNKGXSS-UHFFFAOYSA-N 0 0 325.347 3.694 10 0 EHAERN Cc1nc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)sc1C ZINC000040783135 202464191 /nfs/dbraw/zinc/46/41/91/202464191.db2.gz ZRUWSTSZJIPFGA-UHFFFAOYSA-N 0 0 348.382 3.898 10 0 EHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779308 202464520 /nfs/dbraw/zinc/46/45/20/202464520.db2.gz NVRUOUNAONCTHP-UHFFFAOYSA-N 0 0 348.197 3.643 10 0 EHAERN COc1ccccc1Oc1ncnc(Nc2ccc(F)cc2)c1N ZINC000040782539 202464655 /nfs/dbraw/zinc/46/46/55/202464655.db2.gz FNZPRWJSODLWCI-UHFFFAOYSA-N 0 0 326.331 3.742 10 0 EHAERN CCCc1ccc(OCC(=O)N(CC)CC)c(Br)c1 ZINC000040944086 202468639 /nfs/dbraw/zinc/46/86/39/202468639.db2.gz DEOKUTUBZHJMPZ-UHFFFAOYSA-N 0 0 328.250 3.649 10 0 EHAERN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2OCC)c1 ZINC000040950161 202468793 /nfs/dbraw/zinc/46/87/93/202468793.db2.gz WLOWOIKSQFCVIG-OUKQBFOZSA-N 0 0 339.391 3.914 10 0 EHAERN CCCCOC(=O)Nc1cc(OC)c(C(=O)OCC)cc1Cl ZINC000041013015 202469973 /nfs/dbraw/zinc/46/99/73/202469973.db2.gz RNISATOHGIFTDJ-UHFFFAOYSA-N 0 0 329.780 3.874 10 0 EHAERN O=c1cc(C(F)(F)F)nc(Nc2cccc(Br)c2)[nH]1 ZINC000057342352 201138477 /nfs/dbraw/zinc/13/84/77/201138477.db2.gz SUVXRERQMGOMNN-UHFFFAOYSA-N 0 0 334.095 3.707 10 0 EHAERN C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cnc4cccnc43)cc2)[C@H]1C ZINC000245245972 201152169 /nfs/dbraw/zinc/15/21/69/201152169.db2.gz XVJMVGZRYKVTQV-VKJFTORMSA-N 0 0 348.450 3.975 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(C2=Cc3ccccc3OC2)o1 ZINC000299739301 202544298 /nfs/dbraw/zinc/54/42/98/202544298.db2.gz NCBDRAJIGSDCSG-HOCLYGCPSA-N 0 0 326.396 3.921 10 0 EHAERN Cc1nc(C)c([C@H](C)Nc2ncc(Br)cc2N)s1 ZINC000049533782 202624775 /nfs/dbraw/zinc/62/47/75/202624775.db2.gz ITBQJWVDDANNPE-ZETCQYMHSA-N 0 0 327.251 3.673 10 0 EHAERN COc1ccc(Br)cc1NC[C@@H](O)c1cccs1 ZINC000049566658 202626042 /nfs/dbraw/zinc/62/60/42/202626042.db2.gz CGLUEDINDHMEAL-LLVKDONJSA-N 0 0 328.231 3.665 10 0 EHAERN Cc1cc(N)ccc1NC(=O)CCOc1cccc(Br)c1 ZINC000022170182 212280144 /nfs/dbraw/zinc/28/01/44/212280144.db2.gz YZHCKAHCJKHNQC-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN CCC1=NN2C(=NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)C2=N)S1 ZINC000000210943 201449071 /nfs/dbraw/zinc/44/90/71/201449071.db2.gz ICTBIDUGMVKWJV-GPHIBNKYSA-N 0 0 337.408 3.505 10 0 EHAERN COCCNc1nc(-c2ccc(F)c(Br)c2)cs1 ZINC000061714758 202789761 /nfs/dbraw/zinc/78/97/61/202789761.db2.gz VMWZRSAHTQKQFP-UHFFFAOYSA-N 0 0 331.210 3.770 10 0 EHAERN C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C12CC3CC(CC(C3)C1)C2 ZINC000005454506 201651407 /nfs/dbraw/zinc/65/14/07/201651407.db2.gz SXMSGQOOFCQZGO-YFERZYKDSA-N 0 0 341.451 3.548 10 0 EHAERN CC(C)CCNC(=O)[C@H](C)Nc1ccc(F)cc1Br ZINC000020430751 212128045 /nfs/dbraw/zinc/12/80/45/212128045.db2.gz QQKDDEUDKDXWIU-JTQLQIEISA-N 0 0 331.229 3.551 10 0 EHAERN O=c1[nH]c(Nc2ccccc2)nc2nccc(-c3ccc(F)cc3)c21 ZINC000072440714 203225659 /nfs/dbraw/zinc/22/56/59/203225659.db2.gz WOTPRTGMVZOUEW-UHFFFAOYSA-N 0 0 332.338 3.868 10 0 EHAERN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(N)=S)cc1 ZINC000072412796 203218517 /nfs/dbraw/zinc/21/85/17/203218517.db2.gz JTNRTAGENXEBCD-MRXNPFEDSA-N 0 0 345.855 3.743 10 0 EHAERN FC(F)(F)CC(Br)(Br)Br ZINC000075758220 203323435 /nfs/dbraw/zinc/32/34/35/203323435.db2.gz GVOPOJRHRVELNW-UHFFFAOYSA-N 0 0 334.755 3.777 10 0 EHAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)c5n[nH]cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000077300992 203378546 /nfs/dbraw/zinc/37/85/46/203378546.db2.gz OCUSYXNRARMJHS-JEZHLNCLSA-N 0 0 344.499 3.609 10 0 in-vitro EHAERN CN(Cc1csc(Br)c1)C(=O)c1ccc(F)c(N)c1 ZINC000042359947 204088803 /nfs/dbraw/zinc/08/88/03/204088803.db2.gz SZFFDDPAJOFIAP-UHFFFAOYSA-N 0 0 343.221 3.504 10 0 EHAERN Fc1c(F)c(F)c(-c2nnc(Br)s2)c(F)c1F ZINC000103921778 204089530 /nfs/dbraw/zinc/08/95/30/204089530.db2.gz STDXIRYGAWDVCM-UHFFFAOYSA-N 0 0 331.063 3.663 10 0 EHAERN CCCOc1nc(Cl)nc(Nc2cccc(Br)c2)n1 ZINC000104165900 204098374 /nfs/dbraw/zinc/09/83/74/204098374.db2.gz MBFJCEICTPPLSC-UHFFFAOYSA-N 0 0 343.612 3.820 10 0 EHAERN Cc1nc2c(s1)c(-c1cccs1)nn(Cc1ccccc1)c2=O ZINC000008956025 211023262 /nfs/dbraw/zinc/02/32/62/211023262.db2.gz HJYQTDOMUVBCDA-UHFFFAOYSA-N 0 0 339.445 3.938 10 0 EHAERN Nc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1)CCS2 ZINC000038051205 132396682 /nfs/dbraw/zinc/39/66/82/132396682.db2.gz UYEMDEZWPQRJAX-UHFFFAOYSA-N 0 0 349.253 3.784 10 0 EHAERN Cc1ccc(NC(=O)c2cnc(N3CCCCC3)nc2C)cc1Cl ZINC000021931011 135725675 /nfs/dbraw/zinc/72/56/75/135725675.db2.gz KKTLCQAYXCZUJQ-UHFFFAOYSA-N 0 0 344.846 3.989 10 0 EHAERN COCCn1cc(N[C@@H](C)c2ccc(Br)s2)cn1 ZINC000038003003 522110159 /nfs/dbraw/zinc/11/01/59/522110159.db2.gz WOAFLLKTWWEPOM-VIFPVBQESA-N 0 0 330.251 3.527 10 0 EHAERN O[C@H](CNc1ccccc1)Cn1c2ccccc2nc1C(F)(F)F ZINC000057340604 526282958 /nfs/dbraw/zinc/28/29/58/526282958.db2.gz BGYLTEVHEKRAIC-CYBMUJFWSA-N 0 0 335.329 3.528 10 0 EHAERN Cc1csc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000041536099 526352900 /nfs/dbraw/zinc/35/29/00/526352900.db2.gz WFROBYTYALLUFB-SECBINFHSA-N 0 0 345.251 3.842 10 0 EHAERN O=C1CCCN2N=C(SCc3c(F)cccc3Cl)SC2=N1 ZINC000000425845 563843476 /nfs/dbraw/zinc/84/34/76/563843476.db2.gz UVWYGRNHHYMMMW-UHFFFAOYSA-N 0 0 343.836 3.709 10 0 EHAERN O=S(=O)(c1ccccc1)n1ccc2cccc(Br)c21 ZINC000038534282 563921868 /nfs/dbraw/zinc/92/18/68/563921868.db2.gz MLHVZUNBUWHKNY-UHFFFAOYSA-N 0 0 336.210 3.641 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3C[C@H]3c3cccnc3)o2)cc1 ZINC000299743503 563963755 /nfs/dbraw/zinc/96/37/55/563963755.db2.gz NVQIPYDWEVFQTE-WNRNVDISSA-N 0 0 333.391 3.981 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000583615473 564018137 /nfs/dbraw/zinc/01/81/37/564018137.db2.gz GYIBONSMGSTHAM-KYOSRNDESA-N 0 0 329.375 3.585 10 0 EHAERN Cc1ccc(C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000104973192 564024482 /nfs/dbraw/zinc/02/44/82/564024482.db2.gz RPBAXLBINGKNDC-VXKWHMMOSA-N 0 0 339.479 3.580 10 0 EHAERN CCC[NH2+]Cc1c(C)n(Cc2cc(C)ccc2C)c(C)c1C(=O)[O-] ZINC000015776997 564073857 /nfs/dbraw/zinc/07/38/57/564073857.db2.gz MREPXZLGZDLODZ-UHFFFAOYSA-N 0 0 328.456 3.968 10 0 EHAERN CCc1c(NC(=O)N2CCC[C@H]2[C@H]2CCCO2)cnn1C1CCCC1 ZINC000575603168 564082290 /nfs/dbraw/zinc/08/22/90/564082290.db2.gz GDMPAEKWXWVQQU-ZWKOTPCHSA-N 0 0 346.475 3.736 10 0 EHAERN CC1=C(C#N)[C@@H](c2ccncc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545958 564129394 /nfs/dbraw/zinc/12/93/94/564129394.db2.gz MGQRNQILQHZHRI-MRXNPFEDSA-N 0 0 327.815 3.863 10 0 EHAERN CCc1ccc(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)o1 ZINC000328622927 564136981 /nfs/dbraw/zinc/13/69/81/564136981.db2.gz ITUDLCBSPXXPBN-INIZCTEOSA-N 0 0 333.432 3.606 10 0 EHAERN CC(C)CSCC(=O)c1ccc(I)cc1 ZINC000034980807 564177547 /nfs/dbraw/zinc/17/75/47/564177547.db2.gz QTGINTBPXMWJEC-UHFFFAOYSA-N 0 0 334.222 3.863 10 0 EHAERN CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1 ZINC000691777801 976382243 /nfs/dbraw/zinc/38/22/43/976382243.db2.gz SMSPEXBIICNEFN-UHFFFAOYSA-N 0 0 348.443 3.767 10 0 EHAERN O=C([O-])c1ccc(C[NH2+][C@H]2CCCC3(CC3)C2)c(Br)c1 ZINC000695650695 976799257 /nfs/dbraw/zinc/79/92/57/976799257.db2.gz OONMKCTZBBBBBH-ZDUSSCGKSA-N 0 0 338.245 3.960 10 0 EHAERN C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710296352 977500755 /nfs/dbraw/zinc/50/07/55/977500755.db2.gz CQGONVYFNBVPHX-RWSFTLGLSA-N 0 0 326.234 3.553 10 0 EHAERN Cc1ccc(C[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(Br)c1 ZINC000711648295 977560782 /nfs/dbraw/zinc/56/07/82/977560782.db2.gz KYTBJTIYMVOZEE-ZBFHGGJFSA-N 0 0 338.245 3.587 10 0 EHAERN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Br)[C@@H](C(=O)[O-])C1 ZINC000719421830 978003682 /nfs/dbraw/zinc/00/36/82/978003682.db2.gz MLHPOMMJDVHJTR-BXKDBHETSA-N 0 0 346.652 3.788 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(C)o2)cc1 ZINC000182563581 1032110782 /nfs/dbraw/zinc/11/07/82/1032110782.db2.gz DZZPJLUIRAZTAX-MAUKXSAKSA-N 0 0 342.439 3.611 10 0 EHAERN O=C(c1cnc(-c2ccsc2)s1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000112280723 1015295301 /nfs/dbraw/zinc/29/53/01/1015295301.db2.gz AHDVUHPWDDIFEE-LBPRGKRZSA-N 0 0 344.465 3.962 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCC[C@@H](C(C)C)C1)C2 ZINC000112748907 1016044684 /nfs/dbraw/zinc/04/46/84/1016044684.db2.gz OHBNXNRDKWPQSS-CVEARBPZSA-N 0 0 346.519 3.826 10 0 EHAERN O=C(NCc1cn2c(n1)CCCC2)N1CCC[C@H]1CC1CCCCC1 ZINC000407994927 1016783098 /nfs/dbraw/zinc/78/30/98/1016783098.db2.gz FLFDLBXPNFTDLR-SFHVURJKSA-N 0 0 344.503 3.864 10 0 EHAERN O=C(CC1(O)CCCCC1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000179725951 1016878825 /nfs/dbraw/zinc/87/88/25/1016878825.db2.gz FOSPUJBETLEGOG-OAHLLOKOSA-N 0 0 337.847 3.755 10 0 EHAERN c1cnn(-c2ncccc2CN[C@H](c2ccco2)c2ccccc2)c1 ZINC000183344099 1032161654 /nfs/dbraw/zinc/16/16/54/1032161654.db2.gz NJOSRUXYGMKEQT-IBGZPJMESA-N 0 0 330.391 3.740 10 0 EHAERN C[C@H]1CCCC[C@H]1OCc1noc(-c2cccc3c2OCCO3)n1 ZINC000329766878 1032168380 /nfs/dbraw/zinc/16/83/80/1032168380.db2.gz YRXXYTHWEVMVGV-GXTWGEPZSA-N 0 0 330.384 3.603 10 0 EHAERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)C2)c1 ZINC000183782093 1032205543 /nfs/dbraw/zinc/20/55/43/1032205543.db2.gz DHQFBKXJLOELKI-MRXNPFEDSA-N 0 0 348.450 3.523 10 0 EHAERN c1ccn2c(c1)nnc2CN[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000183797265 1032207291 /nfs/dbraw/zinc/20/72/91/1032207291.db2.gz KUIHAVQJBYWFLC-INIZCTEOSA-N 0 0 334.423 3.656 10 0 EHAERN Cc1cccc(C2(CNC(=O)[C@@H]3CCCn4ccnc43)CCCC2)c1 ZINC000080635441 1032223194 /nfs/dbraw/zinc/22/31/94/1032223194.db2.gz YSYPBDJFUXUGHV-GOSISDBHSA-N 0 0 337.467 3.697 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184023132 1032225595 /nfs/dbraw/zinc/22/55/95/1032225595.db2.gz LFCDSTFMDYIEFP-UHFFFAOYSA-N 0 0 344.846 3.788 10 0 EHAERN CC(C)C[C@H](C)S(=O)(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000118431839 1032241399 /nfs/dbraw/zinc/24/13/99/1032241399.db2.gz IYTNSRYATCOEJV-DZGCQCFKSA-N 0 0 338.498 3.587 10 0 EHAERN CC(C)c1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1F ZINC000184471328 1032303873 /nfs/dbraw/zinc/30/38/73/1032303873.db2.gz YIGWGDOQDDKHEE-HNNXBMFYSA-N 0 0 330.407 3.842 10 0 EHAERN ClC(Cl)(Cl)CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000184703158 1032319898 /nfs/dbraw/zinc/31/98/98/1032319898.db2.gz FTTPCJQSWJQZHP-SNVBAGLBSA-N 0 0 337.682 3.622 10 0 EHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000185346607 1032382130 /nfs/dbraw/zinc/38/21/30/1032382130.db2.gz CNFZVLRRYVJOPI-KEYYUXOJSA-N 0 0 345.345 3.523 10 0 EHAERN CCCC[C@H](CC)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185506249 1032436617 /nfs/dbraw/zinc/43/66/17/1032436617.db2.gz OTVTWCMEQAXPCQ-KXBFYZLASA-N 0 0 348.462 3.952 10 0 EHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000089400003 1032528206 /nfs/dbraw/zinc/52/82/06/1032528206.db2.gz YHGNVMFUAPTSQB-WBMJQRKESA-N 0 0 344.480 3.578 10 0 EHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000176416972 1017369589 /nfs/dbraw/zinc/36/95/89/1017369589.db2.gz KCGLAJGKWZKATG-BHYGNILZSA-N 0 0 332.492 3.580 10 0 EHAERN C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)CC(C)(C)C1 ZINC000408038414 1017502327 /nfs/dbraw/zinc/50/23/27/1017502327.db2.gz MKYMLCCEEDOCMU-UAGQMJEPSA-N 0 0 344.503 3.609 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000305140532 1018976874 /nfs/dbraw/zinc/97/68/74/1018976874.db2.gz MEWHRUMCONUDGW-VPWXQRGCSA-N 0 0 341.455 3.733 10 0 EHAERN CC(C)(C)C(=O)N1CCC[C@H](c2nc(C(C)(C)C3CCC3)no2)C1 ZINC000333259704 1018985026 /nfs/dbraw/zinc/98/50/26/1018985026.db2.gz UJGCATBHRGATOO-ZDUSSCGKSA-N 0 0 333.476 3.899 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000588390933 1020143330 /nfs/dbraw/zinc/14/33/30/1020143330.db2.gz NJYFFBLZCDGWEI-OMVNSRBRSA-N 0 0 346.789 3.917 10 0 EHAERN C[C@@H]1CCCN(C(=O)Nc2cccc(N3CCCCCC3)c2)[C@@H]1CO ZINC000089871554 1020318044 /nfs/dbraw/zinc/31/80/44/1020318044.db2.gz UUPCDGXUCVAIJN-VQIMIIECSA-N 0 0 345.487 3.692 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000588401171 1020512226 /nfs/dbraw/zinc/51/22/26/1020512226.db2.gz DNSZDCSEPXELCA-WNJRYGEDSA-N 0 0 337.419 3.704 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)c1c(Cl)ccc(F)c1Cl ZINC000093372105 1032932946 /nfs/dbraw/zinc/93/29/46/1032932946.db2.gz UIFQEKXOGBIRQG-AUTRQRHGSA-N 0 0 349.233 3.606 10 0 EHAERN CCOc1ccc(C2=N/C(=C/c3cccc4cnccc34)C(=O)O2)cc1 ZINC000588423443 1021421483 /nfs/dbraw/zinc/42/14/83/1021421483.db2.gz MMZGNCZIOPWCLQ-XDHOZWIPSA-N 0 0 344.370 3.978 10 0 EHAERN C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1(C)C ZINC000333968173 1021554718 /nfs/dbraw/zinc/55/47/18/1021554718.db2.gz SPXONKUVIWXTMG-KQTLUZQSSA-N 0 0 349.496 3.726 10 0 EHAERN O=C(c1ccc(Cl)cc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000126291923 1022196101 /nfs/dbraw/zinc/19/61/01/1022196101.db2.gz RTQGQZSWWIBQEN-BDJLRTHQSA-N 0 0 328.239 3.761 10 0 EHAERN Cc1cc(NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)nn1C ZINC000123086477 1022313547 /nfs/dbraw/zinc/31/35/47/1022313547.db2.gz OUGIFYZGCFRFEM-OAHLLOKOSA-N 0 0 340.427 3.687 10 0 EHAERN O=C(N1CC[C@]2(O)CCCC[C@@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000127658414 1022393176 /nfs/dbraw/zinc/39/31/76/1022393176.db2.gz ZAHJHQYPMYACTM-DNVCBOLYSA-N 0 0 333.859 3.525 10 0 EHAERN CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@H]2CCCCNC2=O)s1 ZINC000328875622 1022523501 /nfs/dbraw/zinc/52/35/01/1022523501.db2.gz SERCEBGTJOWPAC-QWHCGFSZSA-N 0 0 337.489 3.680 10 0 EHAERN C/C(=C/C(=O)OC1CCN(CC(F)F)CC1)c1cccc(F)c1 ZINC000588448258 1022873676 /nfs/dbraw/zinc/87/36/76/1022873676.db2.gz QRZAIYPFAWAQSQ-XFXZXTDPSA-N 0 0 327.346 3.502 10 0 EHAERN Clc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000333744773 1023189830 /nfs/dbraw/zinc/18/98/30/1023189830.db2.gz YDDFBGJAZDTXDG-QXSJWSMHSA-N 0 0 345.830 3.530 10 0 EHAERN CCc1ccccc1NCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000198414927 1033113341 /nfs/dbraw/zinc/11/33/41/1033113341.db2.gz TVBZEPZUZGCVEW-UHFFFAOYSA-N 0 0 339.395 3.928 10 0 EHAERN CC(C)(C)c1nc(CC(=O)N[C@H]2CCCc3c(O)cccc32)cs1 ZINC000190303673 1023281275 /nfs/dbraw/zinc/28/12/75/1023281275.db2.gz HTOYDLCTAWWDEC-HNNXBMFYSA-N 0 0 344.480 3.883 10 0 EHAERN COc1ccc(OC(=O)/C=C\c2ncccc2C)c(Br)c1 ZINC000588462730 1023285632 /nfs/dbraw/zinc/28/56/32/1023285632.db2.gz BLCDYIQGBVPDKW-VURMDHGXSA-N 0 0 348.196 3.780 10 0 EHAERN C[C@](O)(CNC(=O)C/C=C\c1cccc(F)c1)c1ccccc1Cl ZINC000588470282 1023641184 /nfs/dbraw/zinc/64/11/84/1023641184.db2.gz UQAXFRLHGPCPCI-WPGJWXSHSA-N 0 0 347.817 3.906 10 0 EHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)c1nncs1 ZINC000588473193 1023755615 /nfs/dbraw/zinc/75/56/15/1023755615.db2.gz HLYZEVMWNZHHFE-VURMDHGXSA-N 0 0 328.224 3.911 10 0 EHAERN COc1ccc(C)cc1NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191308473 1024070919 /nfs/dbraw/zinc/07/09/19/1024070919.db2.gz OCWGFJSIROGMKU-OAHLLOKOSA-N 0 0 326.396 3.908 10 0 EHAERN CC(C)(C)c1ncc(NC(=O)N[C@H]2CCCc3c(O)cccc32)cn1 ZINC000192154080 1024238367 /nfs/dbraw/zinc/23/83/67/1024238367.db2.gz DEFMUWFMLVVNGH-HNNXBMFYSA-N 0 0 340.427 3.679 10 0 EHAERN CCO[C@@H]1C[C@@H](Nc2ccc(NC(=O)C(C)C)cc2)C12CCOCC2 ZINC000329910171 1024246492 /nfs/dbraw/zinc/24/64/92/1024246492.db2.gz NAHCJBKIRKMRHY-QZTJIDSGSA-N 0 0 346.471 3.667 10 0 EHAERN C[C@H](CC1CCCCC1)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000193027273 1024301279 /nfs/dbraw/zinc/30/12/79/1024301279.db2.gz IBEIFSHXDKWPRF-CXAGYDPISA-N 0 0 346.496 3.965 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3csc(-c4ccoc4)n3)CCO2)o1 ZINC000151667798 1024373307 /nfs/dbraw/zinc/37/33/07/1024373307.db2.gz FSNNAXKVUNAITR-OAHLLOKOSA-N 0 0 344.392 3.518 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCCc3ccc(C)cc3)CCO2)o1 ZINC000151691655 1024415877 /nfs/dbraw/zinc/41/58/77/1024415877.db2.gz UARMYGFJCHUVGU-LJQANCHMSA-N 0 0 327.424 3.819 10 0 EHAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000280907201 1024421663 /nfs/dbraw/zinc/42/16/63/1024421663.db2.gz DBCCACMKYGUUQJ-SSRYDLFMSA-N 0 0 342.483 3.645 10 0 EHAERN CCC1(CC)CN(C(=O)/C(C)=C\c2ccc(C)cc2)CC[S@]1=O ZINC000588487643 1024477815 /nfs/dbraw/zinc/47/78/15/1024477815.db2.gz XQTRYXHBAONKTO-AONZOJHOSA-N 0 0 333.497 3.548 10 0 EHAERN COc1cccc(C)c1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000195012442 1024479572 /nfs/dbraw/zinc/47/95/72/1024479572.db2.gz ZQXHKKLCLOFCGI-GJZGRUSLSA-N 0 0 328.416 3.506 10 0 EHAERN COc1ccccc1[C@@H](C)CC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000151808841 1024713439 /nfs/dbraw/zinc/71/34/39/1024713439.db2.gz CQCRPDSFUSYSSL-LIRRHRJNSA-N 0 0 343.423 3.690 10 0 EHAERN CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000333682963 1024818897 /nfs/dbraw/zinc/81/88/97/1024818897.db2.gz PRKNQMUJGIHXKD-MRXNPFEDSA-N 0 0 349.434 3.969 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000588497822 1025216483 /nfs/dbraw/zinc/21/64/83/1025216483.db2.gz AXSROQYAWLYLQY-PFONDFGASA-N 0 0 334.504 3.666 10 0 EHAERN O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329169174 1025638912 /nfs/dbraw/zinc/63/89/12/1025638912.db2.gz JLHXGXNCRVWAKG-QMCVQRASSA-N 0 0 343.471 3.869 10 0 EHAERN CC(C)c1nnc([C@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)[nH]1 ZINC000329602298 1026058942 /nfs/dbraw/zinc/05/89/42/1026058942.db2.gz KVWYPMVMGBHICM-DLBZAZTESA-N 0 0 338.455 3.712 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Cc3c[nH]c4cc(F)ccc34)c21 ZINC000103128047 1026063676 /nfs/dbraw/zinc/06/36/76/1026063676.db2.gz PDAMLXKHROJHDU-UHFFFAOYSA-N 0 0 349.409 3.998 10 0 EHAERN COc1ccccc1CCN(C)C(=O)CCc1cc(F)ccc1F ZINC000104460307 1026257410 /nfs/dbraw/zinc/25/74/10/1026257410.db2.gz MNKXUYGQOKOIRR-UHFFFAOYSA-N 0 0 333.378 3.607 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)nc3)C2)cc1 ZINC000122178458 1026260833 /nfs/dbraw/zinc/26/08/33/1026260833.db2.gz AJJRNQSQMALTQL-IUODEOHRSA-N 0 0 330.815 3.762 10 0 EHAERN CCc1onc(C)c1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122369409 1026422635 /nfs/dbraw/zinc/42/26/35/1026422635.db2.gz VEEOLJFBGXPJLY-DOMZBBRYSA-N 0 0 328.412 3.572 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@@H](C)c3ccncc3)C2)cc1 ZINC000122434910 1026466566 /nfs/dbraw/zinc/46/65/66/1026466566.db2.gz YILBXHRQRXOHHR-RLFYNMQTSA-N 0 0 339.439 3.739 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000588537831 1026933434 /nfs/dbraw/zinc/93/34/34/1026933434.db2.gz GOIPDFISXUPSCL-RAXLEYEMSA-N 0 0 327.355 3.645 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(Cl)c3F)CCO2)o1 ZINC000153070131 1026999849 /nfs/dbraw/zinc/99/98/49/1026999849.db2.gz MLEBNMVCNLCIGY-AWEZNQCLSA-N 0 0 338.766 3.986 10 0 EHAERN CCCOc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000153072160 1027003860 /nfs/dbraw/zinc/00/38/60/1027003860.db2.gz JISPGMQVACGLQE-GOSISDBHSA-N 0 0 344.411 3.982 10 0 EHAERN Fc1ccccc1Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)s1 ZINC000302586507 1027203863 /nfs/dbraw/zinc/20/38/63/1027203863.db2.gz VJJNKOFFLITMAB-INIZCTEOSA-N 0 0 347.459 3.663 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2Nc1ccc2nnc(C(C)(C)C)n2n1 ZINC000302841557 1027320821 /nfs/dbraw/zinc/32/08/21/1027320821.db2.gz MCTQDNSXHZFLBU-AWEZNQCLSA-N 0 0 337.427 3.666 10 0 EHAERN Cc1cccc([C@H](NS(=O)(=O)[C@H](C)CC(C)C)c2ccccn2)c1 ZINC000129899739 1027613061 /nfs/dbraw/zinc/61/30/61/1027613061.db2.gz DFYGVSLQKQDBMP-APWZRJJASA-N 0 0 346.496 3.833 10 0 EHAERN CC[C@@H](SC)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131096852 1027735964 /nfs/dbraw/zinc/73/59/64/1027735964.db2.gz RSHKVTBARVSUHJ-DOTOQJQBSA-N 0 0 343.496 3.924 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 ZINC000131802362 1027822402 /nfs/dbraw/zinc/82/24/02/1027822402.db2.gz KLVVRUNTVMZQJX-XJKSGUPXSA-N 0 0 335.407 3.590 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)CCOc3ccccc3)CCO2)o1 ZINC000133348829 1028022152 /nfs/dbraw/zinc/02/21/52/1028022152.db2.gz WMNPEGKUEJJEDF-DNVCBOLYSA-N 0 0 343.423 3.593 10 0 EHAERN CSc1ccc(C)c(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000133747618 1028062542 /nfs/dbraw/zinc/06/25/42/1028062542.db2.gz DRVBEUSFOIOBAQ-KRWDZBQOSA-N 0 0 331.437 3.832 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@@H](C)c3cccc(F)c3)CCO2)o1 ZINC000133839754 1028072035 /nfs/dbraw/zinc/07/20/35/1028072035.db2.gz BKPHXARMPPNIAN-FZKQIMNGSA-N 0 0 331.387 3.821 10 0 EHAERN CCOc1ccccc1CCC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000134134755 1028095458 /nfs/dbraw/zinc/09/54/58/1028095458.db2.gz PBXPUNBSZCCDFS-LJQANCHMSA-N 0 0 343.423 3.519 10 0 EHAERN Cc1cccnc1CNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000135101798 1028169985 /nfs/dbraw/zinc/16/99/85/1028169985.db2.gz WWMCQHYYLVBOCA-UHFFFAOYSA-N 0 0 325.387 3.528 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000246298404 1028179162 /nfs/dbraw/zinc/17/91/62/1028179162.db2.gz DZENADRTUNEFBE-IARIHHJXSA-N 0 0 344.480 3.669 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000054652480 1028244081 /nfs/dbraw/zinc/24/40/81/1028244081.db2.gz MNUHPGFITAGHCM-NSHGMRRFSA-N 0 0 337.419 3.794 10 0 EHAERN CCCc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000136960644 1028281296 /nfs/dbraw/zinc/28/12/96/1028281296.db2.gz FHDHOHWYKTXMPT-SFHVURJKSA-N 0 0 325.412 3.719 10 0 EHAERN CCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153596729 1028282633 /nfs/dbraw/zinc/28/26/33/1028282633.db2.gz SNCNLWZIWDQNLO-QGZVFWFLSA-N 0 0 330.384 3.592 10 0 EHAERN CN1CC[C@H](CNC(=O)Nc2c(F)cccc2F)c2ccccc21 ZINC000056541036 1028330743 /nfs/dbraw/zinc/33/07/43/1028330743.db2.gz PVDVRMYUNHXMOM-GFCCVEGCSA-N 0 0 331.366 3.710 10 0 EHAERN COc1cccc(C(=O)N2CCC[C@H](COc3ccccc3)C2)c1 ZINC000062078779 1028442082 /nfs/dbraw/zinc/44/20/82/1028442082.db2.gz HNFRKOCMOCXPJL-INIZCTEOSA-N 0 0 325.408 3.626 10 0 EHAERN CC(=O)SCCCCCCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000193860642 1028474411 /nfs/dbraw/zinc/47/44/11/1028474411.db2.gz PTTVMHSNAGPMIQ-GUYCJALGSA-N 0 0 335.469 3.507 10 0 EHAERN CC(=O)c1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1C ZINC000194021368 1028484295 /nfs/dbraw/zinc/48/42/95/1028484295.db2.gz ZCMONSXYRDNCLY-HNNXBMFYSA-N 0 0 328.437 3.674 10 0 EHAERN CCc1ccccc1NC(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000195354468 1028600046 /nfs/dbraw/zinc/60/00/46/1028600046.db2.gz IJPPHMNNJKOBHE-OAHLLOKOSA-N 0 0 329.469 3.524 10 0 EHAERN CC(C)N(C(=O)CN1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000195355633 1028600077 /nfs/dbraw/zinc/60/00/77/1028600077.db2.gz IJSNTSOBVVVVBX-INIZCTEOSA-N 0 0 343.496 3.764 10 0 EHAERN c1csc([C@@H]2CCCN(Cc3noc(-c4ccccc4)n3)C2)n1 ZINC000195441656 1028610422 /nfs/dbraw/zinc/61/04/22/1028610422.db2.gz OQYHLCHXBYMEEY-CQSZACIVSA-N 0 0 326.425 3.573 10 0 EHAERN CC(C)c1noc([C@H](C)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246509268 1028641641 /nfs/dbraw/zinc/64/16/41/1028641641.db2.gz ICCKBYVOLGMYED-RRQGHBQHSA-N 0 0 347.434 3.981 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)CCO2)o1 ZINC000246595999 1028667649 /nfs/dbraw/zinc/66/76/49/1028667649.db2.gz MORNVTQRGIOETR-YEWWUXTCSA-N 0 0 347.361 3.570 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000246635283 1028669862 /nfs/dbraw/zinc/66/98/62/1028669862.db2.gz JGXIQBVRYYJWQL-SLHNCBLASA-N 0 0 327.468 3.927 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccs1 ZINC000247000259 1028723014 /nfs/dbraw/zinc/72/30/14/1028723014.db2.gz PYEXKBDWHRWRQR-MYPMTAMASA-N 0 0 336.501 3.948 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245536098 1028778521 /nfs/dbraw/zinc/77/85/21/1028778521.db2.gz IFRQUVLHWCIJBF-LERXQTSPSA-N 0 0 340.345 3.785 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000247690451 1028811904 /nfs/dbraw/zinc/81/19/04/1028811904.db2.gz QTZQBLKOXYHHIM-LNLFQRSKSA-N 0 0 348.531 3.985 10 0 EHAERN Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248395873 1028891993 /nfs/dbraw/zinc/89/19/93/1028891993.db2.gz JQJIKBJTBWOTMK-XHSDSOJGSA-N 0 0 341.411 3.729 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248633650 1028930949 /nfs/dbraw/zinc/93/09/49/1028930949.db2.gz JAJBYKNRZHZXPL-OHNRDTAOSA-N 0 0 346.446 3.562 10 0 EHAERN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000248634379 1028931953 /nfs/dbraw/zinc/93/19/53/1028931953.db2.gz XJHCTWVCWGNNBC-RRFJBIMHSA-N 0 0 329.444 3.686 10 0 EHAERN CC(C)N(C)c1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC000248907272 1028964494 /nfs/dbraw/zinc/96/44/94/1028964494.db2.gz UZUNXIWUYYGSLT-MAUKXSAKSA-N 0 0 349.450 3.749 10 0 EHAERN CCO[C@@H]1C[C@@H](N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C12CCC2 ZINC000249194613 1028995996 /nfs/dbraw/zinc/99/59/96/1028995996.db2.gz PZFCSCANZRWZBF-BRWVUGGUSA-N 0 0 329.419 3.576 10 0 EHAERN CC(=O)Nc1ccc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000245698822 1029035947 /nfs/dbraw/zinc/03/59/47/1029035947.db2.gz CUDKJYQUTVVMCX-UGSOOPFHSA-N 0 0 330.453 3.669 10 0 EHAERN c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc(OC2CCCC2)c1 ZINC000245700058 1029039379 /nfs/dbraw/zinc/03/93/79/1029039379.db2.gz BLPOSOCJZVHWGO-RTBURBONSA-N 0 0 333.497 3.714 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)c(F)c3)CC2)n1 ZINC000154352126 1029115275 /nfs/dbraw/zinc/11/52/75/1029115275.db2.gz WCMSKECXOYZKFO-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN Cc1ccnc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1 ZINC000053280711 1029116453 /nfs/dbraw/zinc/11/64/53/1029116453.db2.gz QYINJHLMLQECBD-UHFFFAOYSA-N 0 0 327.384 3.834 10 0 EHAERN CC(C)OCc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245790758 1029303945 /nfs/dbraw/zinc/30/39/45/1029303945.db2.gz IPKYUODCJVKEDV-RCCFBDPRSA-N 0 0 344.455 3.691 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(c3nnc(C(F)(F)F)s3)C2)cc1 ZINC000154761000 1029306473 /nfs/dbraw/zinc/30/64/73/1029306473.db2.gz OKMBHTJFDGRXHS-MWLCHTKSSA-N 0 0 343.374 3.948 10 0 EHAERN CCCCC[C@H](CC)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245853472 1029384546 /nfs/dbraw/zinc/38/45/46/1029384546.db2.gz MYYVWIBHMLRMQP-XYJFISCASA-N 0 0 334.504 3.595 10 0 EHAERN CCOCCOCc1cccc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245935166 1029497697 /nfs/dbraw/zinc/49/76/97/1029497697.db2.gz WSXKDLRYWJJWAY-IPMKNSEASA-N 0 0 333.472 3.855 10 0 EHAERN C[C@@H](C1CC1)N(C(=O)NC1CCN(c2cccs2)CC1)C1CC1 ZINC000155461698 1029545107 /nfs/dbraw/zinc/54/51/07/1029545107.db2.gz XHWUEDWAKOLFMR-ZDUSSCGKSA-N 0 0 333.501 3.689 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2c(F)cc(Cl)cc2F)[C@@H]2CCO[C@H]21 ZINC000246013000 1029570965 /nfs/dbraw/zinc/57/09/65/1029570965.db2.gz IMANTILAKOWZTC-ZEGGKSINSA-N 0 0 330.762 3.553 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000155660029 1029616675 /nfs/dbraw/zinc/61/66/75/1029616675.db2.gz SOWAIDVLCIPKAW-GOEBONIOSA-N 0 0 333.501 3.691 10 0 EHAERN CCc1cccc(C)c1NC(=O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000246083563 1029637016 /nfs/dbraw/zinc/63/70/16/1029637016.db2.gz FVELRUYKZRTICK-SJORKVTESA-N 0 0 332.513 3.856 10 0 EHAERN Cc1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)ccc1N(C)C ZINC000114808569 1029835444 /nfs/dbraw/zinc/83/54/44/1029835444.db2.gz WBTYIGPZQIIYOR-AWEZNQCLSA-N 0 0 344.484 3.929 10 0 EHAERN Cc1csc2nc(C)nc(N3CC[C@@H](C)[C@@H](n4ccnc4)C3)c12 ZINC000274720937 1029846448 /nfs/dbraw/zinc/84/64/48/1029846448.db2.gz XUKGFUNZBOLRGR-RISCZKNCSA-N 0 0 327.457 3.592 10 0 EHAERN Cc1csc(S(=O)(=O)[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000156791311 1030019185 /nfs/dbraw/zinc/01/91/85/1030019185.db2.gz XJYPLCLWTOIGSD-LLVKDONJSA-N 0 0 334.422 3.641 10 0 EHAERN Cc1cn2c(CN3CCO[C@H](c4cccs4)C3)c(C)nc2s1 ZINC000092594641 1030490803 /nfs/dbraw/zinc/49/08/03/1030490803.db2.gz OVWSALOKPKFHCF-AWEZNQCLSA-N 0 0 333.482 3.648 10 0 EHAERN CCCC1(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCC1 ZINC000157445522 1030541134 /nfs/dbraw/zinc/54/11/34/1030541134.db2.gz HJEVIFONFKTNMG-HNNXBMFYSA-N 0 0 332.469 3.576 10 0 EHAERN COC[C@@H]1CCCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000458652980 1030548516 /nfs/dbraw/zinc/54/85/16/1030548516.db2.gz PMTYHVCUWMOTEY-CQSZACIVSA-N 0 0 326.387 3.582 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(OC(F)F)cc1 ZINC000170632800 1030692786 /nfs/dbraw/zinc/69/27/86/1030692786.db2.gz IVCVORWVJWZHFF-UHFFFAOYSA-N 0 0 331.278 3.590 10 0 EHAERN CC(C)Oc1ccccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171614783 1030766830 /nfs/dbraw/zinc/76/68/30/1030766830.db2.gz XNSOFWKBPHICAL-UHFFFAOYSA-N 0 0 338.451 3.964 10 0 EHAERN O=C(CCc1cc(F)ccc1F)N1CCC[C@H](c2nccs2)C1 ZINC000171640481 1030770487 /nfs/dbraw/zinc/77/04/87/1030770487.db2.gz WZYKAJVICCRUAP-ZDUSSCGKSA-N 0 0 336.407 3.760 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000171645925 1030772067 /nfs/dbraw/zinc/77/20/67/1030772067.db2.gz ZJBLUFCMAMLXNB-INIZCTEOSA-N 0 0 342.464 3.821 10 0 EHAERN Cc1csc(C2CCN(C(=O)C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000171412036 1030775918 /nfs/dbraw/zinc/77/59/18/1030775918.db2.gz OJQTWZXCQRRFMU-UHFFFAOYSA-N 0 0 348.855 3.694 10 0 EHAERN CC(C)(CCC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccccc1 ZINC000157737090 1030814861 /nfs/dbraw/zinc/81/48/61/1030814861.db2.gz OSUZUOAPNQPVJF-SFHVURJKSA-N 0 0 325.456 3.632 10 0 EHAERN CC(=O)c1ccc(NC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171807993 1030821906 /nfs/dbraw/zinc/82/19/06/1030821906.db2.gz FAZVDDRTAJHQJL-UHFFFAOYSA-N 0 0 337.423 3.771 10 0 EHAERN CC[C@H](NC(=O)N1CCOC[C@H]1c1ccc(C)o1)c1cccs1 ZINC000172126532 1030837603 /nfs/dbraw/zinc/83/76/03/1030837603.db2.gz BMSXSHDJOOIVTR-KBPBESRZSA-N 0 0 334.441 3.884 10 0 EHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172605675 1030977531 /nfs/dbraw/zinc/97/75/31/1030977531.db2.gz DXQYIQHRKUSRSP-RTWAWAEBSA-N 0 0 334.463 3.975 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2F)cc1 ZINC000172847651 1031010823 /nfs/dbraw/zinc/01/08/23/1031010823.db2.gz MLFXVDVYQJVGGA-GOSISDBHSA-N 0 0 328.387 3.610 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000172890051 1031026868 /nfs/dbraw/zinc/02/68/68/1031026868.db2.gz TUTPILLTGOKSAW-HIFRSBDPSA-N 0 0 341.317 3.757 10 0 EHAERN CC(C)(Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1)C1CCCCC1 ZINC000329558061 1031101919 /nfs/dbraw/zinc/10/19/19/1031101919.db2.gz FGPGHFUBHKZADX-JKSUJKDBSA-N 0 0 333.476 3.754 10 0 EHAERN O=C(CCc1ccsc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174071650 1031160101 /nfs/dbraw/zinc/16/01/01/1031160101.db2.gz BDKOQAODPVEUOI-UHFFFAOYSA-N 0 0 332.444 3.923 10 0 EHAERN O=C(COC1CCCCC1)N1CCC(Nc2ccccc2F)CC1 ZINC000174070235 1031161612 /nfs/dbraw/zinc/16/16/12/1031161612.db2.gz BZPDPXOIXPBRIX-UHFFFAOYSA-N 0 0 334.435 3.578 10 0 EHAERN CCc1nc(NC(=O)N2CCC[C@H](c3nccs3)C2)sc1C ZINC000174344906 1031199120 /nfs/dbraw/zinc/19/91/20/1031199120.db2.gz QDQCDIWNNHSSRH-NSHDSACASA-N 0 0 336.486 3.882 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]2C ZINC000249233006 1031230633 /nfs/dbraw/zinc/23/06/33/1031230633.db2.gz VUBPOIZELSZBNA-RBSFLKMASA-N 0 0 332.492 3.767 10 0 EHAERN CC(C)CCO[C@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000175162873 1031281969 /nfs/dbraw/zinc/28/19/69/1031281969.db2.gz PLMURVNINYOWSS-SJORKVTESA-N 0 0 331.456 3.606 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)n1 ZINC000175871476 1031361092 /nfs/dbraw/zinc/36/10/92/1031361092.db2.gz OXGWAMSLOADQMJ-UHFFFAOYSA-N 0 0 340.370 3.889 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3C3CCCC3)nc21 ZINC000175740974 1031372357 /nfs/dbraw/zinc/37/23/57/1031372357.db2.gz LACYMGBITYJUKZ-KRWDZBQOSA-N 0 0 325.456 3.985 10 0 EHAERN O=C(Nc1nc(C2CC2)cs1)NC1CCN(c2cccs2)CC1 ZINC000176498283 1031444474 /nfs/dbraw/zinc/44/44/74/1031444474.db2.gz UMKNRZYBVLDARV-UHFFFAOYSA-N 0 0 348.497 3.873 10 0 EHAERN CS[C@H]1CCC[C@@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176624859 1031466479 /nfs/dbraw/zinc/46/64/79/1031466479.db2.gz BRZNQERBEOPWAQ-KGLIPLIRSA-N 0 0 331.485 3.594 10 0 EHAERN O=C(NCC(F)(F)F)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177235989 1031524299 /nfs/dbraw/zinc/52/42/99/1031524299.db2.gz GXODWZMHIRBRFM-HUUCEWRRSA-N 0 0 344.377 3.627 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccc2ccccc2c1 ZINC000177352326 1031559112 /nfs/dbraw/zinc/55/91/12/1031559112.db2.gz OYMZQBPQRSJYRS-OXQOHEQNSA-N 0 0 348.450 3.972 10 0 EHAERN CC(C)Sc1ccccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178549754 1031677318 /nfs/dbraw/zinc/67/73/18/1031677318.db2.gz YDDZXNGZMXNSRE-AEFFLSMTSA-N 0 0 327.449 3.575 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000178793743 1031703500 /nfs/dbraw/zinc/70/35/00/1031703500.db2.gz AXTTZEAZLDNNGE-UHFFFAOYSA-N 0 0 332.835 3.560 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3nc(C4CC4)cs3)CCO2)o1 ZINC000178942089 1031723456 /nfs/dbraw/zinc/72/34/56/1031723456.db2.gz IDQCXZPXZBMLPW-AWEZNQCLSA-N 0 0 333.413 3.527 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Oc1ccc(-c2ncnn2C)cc1 ZINC000588587762 1031747541 /nfs/dbraw/zinc/74/75/41/1031747541.db2.gz CPSZATYJUIONSN-QBFSEMIESA-N 0 0 337.354 3.630 10 0 EHAERN COc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1Cl ZINC000179320641 1031765782 /nfs/dbraw/zinc/76/57/82/1031765782.db2.gz BVOJXXCSTUZDKU-LBPRGKRZSA-N 0 0 336.844 3.825 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-n2cncn2)cc1 ZINC000179816300 1031813926 /nfs/dbraw/zinc/81/39/26/1031813926.db2.gz YGJGRCCIJHGMRF-AWEZNQCLSA-N 0 0 347.422 3.715 10 0 EHAERN C[C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)Cc1ccc(Cl)cc1 ZINC000179882199 1031817017 /nfs/dbraw/zinc/81/70/17/1031817017.db2.gz BUKBXNYQGAGSGK-HNNXBMFYSA-N 0 0 334.891 3.605 10 0 EHAERN O=C(c1cc(F)cc2nccnc21)N1CC=C(c2cccs2)CC1 ZINC000117719391 1031840411 /nfs/dbraw/zinc/84/04/11/1031840411.db2.gz LMITVMPGGKMOQB-UHFFFAOYSA-N 0 0 339.395 3.760 10 0 EHAERN O=C(c1cncc(Br)c1)N1CC=C(c2cccs2)CC1 ZINC000117724492 1031842659 /nfs/dbraw/zinc/84/26/59/1031842659.db2.gz FHFBKNDLYVVSPC-UHFFFAOYSA-N 0 0 349.253 3.835 10 0 EHAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000180444091 1031855393 /nfs/dbraw/zinc/85/53/93/1031855393.db2.gz MATQHRBIQMNUNV-DOTOQJQBSA-N 0 0 342.443 3.757 10 0 EHAERN Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000159088425 1031867951 /nfs/dbraw/zinc/86/79/51/1031867951.db2.gz OEWRIRVDBHZEEF-GUYCJALGSA-N 0 0 348.830 3.642 10 0 EHAERN O=C(c1ccc(N2CCCC2)nc1)N1CC=C(c2cccs2)CC1 ZINC000117857483 1031910812 /nfs/dbraw/zinc/91/08/12/1031910812.db2.gz IPOKGRIWLZJVNW-UHFFFAOYSA-N 0 0 339.464 3.673 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000329736924 1032033855 /nfs/dbraw/zinc/03/38/55/1032033855.db2.gz STYHBWXHLDRYKR-OWDMVUQNSA-N 0 0 337.423 3.533 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NC[C@@H](C)Cc3cccs3)CCO2)o1 ZINC000120394773 1033749752 /nfs/dbraw/zinc/74/97/52/1033749752.db2.gz BMZYQWZSPZQBTK-SUMWQHHRSA-N 0 0 348.468 3.611 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000083711894 1033891538 /nfs/dbraw/zinc/89/15/38/1033891538.db2.gz LFMFKKNFVAQDDQ-GXTWGEPZSA-N 0 0 347.488 3.570 10 0 EHAERN O=C1NCCCC[C@H]1SCc1csc(CCc2ccccc2)n1 ZINC000084504863 1033915892 /nfs/dbraw/zinc/91/58/92/1033915892.db2.gz GQQISZJYIYRMBV-MRXNPFEDSA-N 0 0 346.521 3.830 10 0 EHAERN Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000086340128 1034071505 /nfs/dbraw/zinc/07/15/05/1034071505.db2.gz GICYGZRTLRLGKF-GJZGRUSLSA-N 0 0 349.438 3.697 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)cc3C)CC2)n1 ZINC000121354088 1034843837 /nfs/dbraw/zinc/84/38/37/1034843837.db2.gz KJSUOSJQCMXLKE-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN Cc1nnc([C@H]2CC23CCN(c2ncc(Cl)cc2Cl)CC3)o1 ZINC000376220559 1035449864 /nfs/dbraw/zinc/44/98/64/1035449864.db2.gz RCXFVMLMJURDRO-LLVKDONJSA-N 0 0 339.226 3.854 10 0 EHAERN O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000185941384 1035544610 /nfs/dbraw/zinc/54/46/10/1035544610.db2.gz HYRPFGMVFMBBCM-OALUTQOASA-N 0 0 348.406 3.728 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2c(C)oc3ccccc32)c2ccccc2)[nH]1 ZINC000186153297 1035590754 /nfs/dbraw/zinc/59/07/54/1035590754.db2.gz HWUGGPMCSZJMQA-SFHVURJKSA-N 0 0 346.390 3.687 10 0 EHAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186409170 1035628815 /nfs/dbraw/zinc/62/88/15/1035628815.db2.gz CUOPKTMAHDHELP-UHFFFAOYSA-N 0 0 348.450 3.532 10 0 EHAERN CCC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000186427895 1035633271 /nfs/dbraw/zinc/63/32/71/1035633271.db2.gz UDDGLKGPDWAHQR-HUUCEWRRSA-N 0 0 333.480 3.601 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCCC[C@H](SC)C1 ZINC000186858469 1035729478 /nfs/dbraw/zinc/72/94/78/1035729478.db2.gz RKFVWTVNMLTSSP-NSHDSACASA-N 0 0 342.486 3.593 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCCC[C@@H](SC)C1 ZINC000186858491 1035730832 /nfs/dbraw/zinc/73/08/32/1035730832.db2.gz RKFVWTVNMLTSSP-LLVKDONJSA-N 0 0 342.486 3.593 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3ccc(OC(C)C)cc3)CCO2)o1 ZINC000187218897 1035788530 /nfs/dbraw/zinc/78/85/30/1035788530.db2.gz MZNUZWARZROLGJ-IBGZPJMESA-N 0 0 343.423 3.518 10 0 EHAERN Cc1ccc([C@@H]2CN(CCC(=O)c3ccc(F)cc3F)CCO2)o1 ZINC000187330765 1035793440 /nfs/dbraw/zinc/79/34/40/1035793440.db2.gz ZAGJAJMYOMHCCA-SFHVURJKSA-N 0 0 335.350 3.513 10 0 EHAERN C[C@@H](CCc1ccc(O)cc1)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000187470278 1035827171 /nfs/dbraw/zinc/82/71/71/1035827171.db2.gz NDAJZRKBQMZBSK-ZDUSSCGKSA-N 0 0 325.412 3.803 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC([C@H]2CCCO2)CC1 ZINC000187609380 1035851156 /nfs/dbraw/zinc/85/11/56/1035851156.db2.gz YKKYWGXDBUVOHM-OAHLLOKOSA-N 0 0 348.493 3.903 10 0 EHAERN Cc1c(F)cccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189069595 1036012249 /nfs/dbraw/zinc/01/22/49/1036012249.db2.gz WPXVULRNNXXGEP-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN C[C@@H]1C[C@H](Nc2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000302128765 1036065792 /nfs/dbraw/zinc/06/57/92/1036065792.db2.gz YDKSTGGXFOIXTL-GDBMZVCRSA-N 0 0 346.471 3.959 10 0 EHAERN CC[C@@H]1CN(C(=O)Nc2cn(C)nc2C)CC[C@H]1c1ccccc1 ZINC000189619267 1036100734 /nfs/dbraw/zinc/10/07/34/1036100734.db2.gz VZSIQAIDXWKSNW-NVXWUHKLSA-N 0 0 326.444 3.776 10 0 EHAERN CC[C@H](NC(=O)N[C@H]1CCCc2c(O)cccc21)c1c(C)noc1C ZINC000189683662 1036115012 /nfs/dbraw/zinc/11/50/12/1036115012.db2.gz XXZBTVPAUXLVKL-HOTGVXAUSA-N 0 0 343.427 3.825 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190446725 1036240998 /nfs/dbraw/zinc/24/09/98/1036240998.db2.gz PDGTVAWNXIMGGP-KGLIPLIRSA-N 0 0 347.509 3.720 10 0 EHAERN Cc1cccnc1CNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190549628 1036256314 /nfs/dbraw/zinc/25/63/14/1036256314.db2.gz QDZBKJSXRNKFPX-CQSZACIVSA-N 0 0 345.393 3.757 10 0 EHAERN CCC(=O)Nc1cccc(C(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000190659686 1036270594 /nfs/dbraw/zinc/27/05/94/1036270594.db2.gz GRKGFLPEVMOAFP-KRWDZBQOSA-N 0 0 338.407 3.597 10 0 EHAERN Cc1occc1S(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000191113991 1036339320 /nfs/dbraw/zinc/33/93/20/1036339320.db2.gz AWMQGCWGUGLVIV-UHFFFAOYSA-N 0 0 337.784 3.870 10 0 EHAERN COC(=O)[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C[C@H]1C ZINC000191825498 1036448924 /nfs/dbraw/zinc/44/89/24/1036448924.db2.gz LKGYVKUFELGJRA-OLZOCXBDSA-N 0 0 348.830 3.626 10 0 EHAERN CC[C@@](C)(NC(=O)[C@H]1CCCc2cccnc21)c1nc(C)cs1 ZINC000192623198 1036517417 /nfs/dbraw/zinc/51/74/17/1036517417.db2.gz SIWLPECQEPOCHR-KBXCAEBGSA-N 0 0 329.469 3.708 10 0 EHAERN COCc1ccc(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000192541812 1036526519 /nfs/dbraw/zinc/52/65/19/1036526519.db2.gz CQGIQYCKRXEFFK-KRWDZBQOSA-N 0 0 342.443 3.552 10 0 EHAERN CC[C@@H](C(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000193339682 1036595297 /nfs/dbraw/zinc/59/52/97/1036595297.db2.gz DXRJKXZMIWZRLV-QZTJIDSGSA-N 0 0 334.423 3.513 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)n1 ZINC000102646772 1036737825 /nfs/dbraw/zinc/73/78/25/1036737825.db2.gz SXHSGNNACARPPP-OAHLLOKOSA-N 0 0 344.480 3.933 10 0 EHAERN CC(=O)Nc1cc(C(=O)NCCc2c[nH]c3cccc(C)c23)ccc1C ZINC000103128430 1036845866 /nfs/dbraw/zinc/84/58/66/1036845866.db2.gz MLKJAJDIXXMCOS-UHFFFAOYSA-N 0 0 349.434 3.716 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N[C@H]3CCCc4occc43)c21 ZINC000103178403 1036848096 /nfs/dbraw/zinc/84/80/96/1036848096.db2.gz NAGBSKDOINGHLT-INIZCTEOSA-N 0 0 337.423 3.989 10 0 EHAERN Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1Cl ZINC000103723982 1036934921 /nfs/dbraw/zinc/93/49/21/1036934921.db2.gz NDULXBHTDWWSPL-UHFFFAOYSA-N 0 0 348.193 3.530 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1ccc(OC(F)F)cc1 ZINC000104456517 1037043405 /nfs/dbraw/zinc/04/34/05/1037043405.db2.gz JJJKWAOCNPIFPT-UHFFFAOYSA-N 0 0 335.350 3.611 10 0 EHAERN O=C([C@H]1CCCc2c(O)cccc21)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000248892519 1037056564 /nfs/dbraw/zinc/05/65/64/1037056564.db2.gz KACUMWASYGVVNV-KSZLIROESA-N 0 0 341.451 3.562 10 0 EHAERN CC[C@H](NS(=O)(=O)c1cccc(Cl)c1C)c1nc(C)cs1 ZINC000104760442 1037083561 /nfs/dbraw/zinc/08/35/61/1037083561.db2.gz LLIKJCQBAJGNJV-LBPRGKRZSA-N 0 0 344.889 3.843 10 0 EHAERN CCSc1nnc(SCc2nc(-c3ccoc3)no2)s1 ZINC000105571483 1037213796 /nfs/dbraw/zinc/21/37/96/1037213796.db2.gz MBTMUJHBOBMLJT-UHFFFAOYSA-N 0 0 326.428 3.585 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000104458901 1037295244 /nfs/dbraw/zinc/29/52/44/1037295244.db2.gz VJHGLLQSBYIBLE-UHFFFAOYSA-N 0 0 336.435 3.729 10 0 EHAERN Brc1ccc(N2CCC(Cc3ccccn3)CC2)nc1 ZINC000193567009 1037369361 /nfs/dbraw/zinc/36/93/61/1037369361.db2.gz TYTONLPACKXIAS-UHFFFAOYSA-N 0 0 332.245 3.698 10 0 EHAERN O=C(CCc1cccc(F)c1F)Nc1cccc(-c2ncon2)c1 ZINC000101524829 1037569921 /nfs/dbraw/zinc/56/99/21/1037569921.db2.gz FGUGLSIJMXUROR-UHFFFAOYSA-N 0 0 329.306 3.586 10 0 EHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000109053216 1037658650 /nfs/dbraw/zinc/65/86/50/1037658650.db2.gz VSZPFHNBKXPLNJ-GFCCVEGCSA-N 0 0 338.379 3.764 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000117652695 1037857650 /nfs/dbraw/zinc/85/76/50/1037857650.db2.gz ITEMYJMFTBVFKS-SJCJKPOMSA-N 0 0 344.480 3.664 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)Cc3ccc(C)s3)CCO2)o1 ZINC000119962180 1037918815 /nfs/dbraw/zinc/91/88/15/1037918815.db2.gz AFAPRNIWFNDBCE-SJKOYZFVSA-N 0 0 348.468 3.672 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000120708856 1037945549 /nfs/dbraw/zinc/94/55/49/1037945549.db2.gz RNDKMFZBAYFJLK-BJRSVTDJSA-N 0 0 343.448 3.760 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000332781726 1037953170 /nfs/dbraw/zinc/95/31/70/1037953170.db2.gz XARYVAPEGBSAGB-BVIKNXMNSA-N 0 0 333.476 3.627 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000332762245 1037953370 /nfs/dbraw/zinc/95/33/70/1037953370.db2.gz AFTHFSRVUZRNCM-BVIKNXMNSA-N 0 0 333.476 3.627 10 0 EHAERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332757413 1037953406 /nfs/dbraw/zinc/95/34/06/1037953406.db2.gz UNECZRLPPAGEMK-WPGHFRTFSA-N 0 0 345.468 3.566 10 0 EHAERN C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1nccs1 ZINC000106343907 1038021785 /nfs/dbraw/zinc/02/17/85/1038021785.db2.gz QYFJHLTXTMCREX-UKRRQHHQSA-N 0 0 330.457 3.926 10 0 EHAERN CC[C@H](C)CN(CC)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124211300 1038151371 /nfs/dbraw/zinc/15/13/71/1038151371.db2.gz PRSVZXFOAHGTKK-BLLLJJGKSA-N 0 0 348.422 3.684 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](O)C12CCCC2)c1ccc(F)c(Cl)c1 ZINC000332995975 1040811143 /nfs/dbraw/zinc/81/11/43/1040811143.db2.gz NXHQUHWKDIVVBT-IAQYHMDHSA-N 0 0 340.826 3.629 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000333020331 1040991323 /nfs/dbraw/zinc/99/13/23/1040991323.db2.gz IRVBDGUZDOPOBU-JKSUJKDBSA-N 0 0 348.512 3.800 10 0 EHAERN O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)c2ccccc2N1 ZINC000109469194 1041190556 /nfs/dbraw/zinc/19/05/56/1041190556.db2.gz YHDXHFUXUBRKIC-ZDUSSCGKSA-N 0 0 325.755 3.864 10 0 EHAERN Cc1cnn([C@H]2CCCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000106225603 1041631227 /nfs/dbraw/zinc/63/12/27/1041631227.db2.gz PEFXVDSUEXDQFS-YOEHRIQHSA-N 0 0 346.862 3.509 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)cc2c1 ZINC000408212118 1042587676 /nfs/dbraw/zinc/58/76/76/1042587676.db2.gz ULSCQKUUHQCNAX-PKOBYXMFSA-N 0 0 340.467 3.721 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2nccs2)cc1 ZINC000161833365 1042689792 /nfs/dbraw/zinc/68/97/92/1042689792.db2.gz YZJSFAIWLBPNSX-OAHLLOKOSA-N 0 0 348.493 3.749 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000162340770 1042721234 /nfs/dbraw/zinc/72/12/34/1042721234.db2.gz YAYKSNWUBBRALT-UHFFFAOYSA-N 0 0 339.464 3.730 10 0 EHAERN CCc1nc(C)c([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)s1 ZINC000162477591 1042731629 /nfs/dbraw/zinc/73/16/29/1042731629.db2.gz NQTVEQBMOSFBJW-BLLLJJGKSA-N 0 0 341.484 3.881 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000162541456 1042737360 /nfs/dbraw/zinc/73/73/60/1042737360.db2.gz IXNLWHFAFVLVGS-UHFFFAOYSA-N 0 0 339.483 3.813 10 0 EHAERN Cc1nnc([C@H](N[C@H]2CCCc3nc(C)sc32)c2ccccc2)[nH]1 ZINC000162596425 1042742411 /nfs/dbraw/zinc/74/24/11/1042742411.db2.gz BTZYTVNISGYNQN-JKSUJKDBSA-N 0 0 339.468 3.635 10 0 EHAERN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000330266086 1042749122 /nfs/dbraw/zinc/74/91/22/1042749122.db2.gz PTYSOGHOUOMALB-VQISRLSMSA-N 0 0 333.819 3.608 10 0 EHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)COC3)o1 ZINC000408235712 1042817452 /nfs/dbraw/zinc/81/74/52/1042817452.db2.gz KLAFDXKCPIJANE-QGZVFWFLSA-N 0 0 347.436 3.534 10 0 EHAERN CC(C)c1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000408320069 1043112435 /nfs/dbraw/zinc/11/24/35/1043112435.db2.gz LHZNHYSUGOJNCC-QUCCMNQESA-N 0 0 330.472 3.647 10 0 EHAERN CC(C)(C)c1cnc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)s1 ZINC000408349264 1043525523 /nfs/dbraw/zinc/52/55/23/1043525523.db2.gz OCIASBFYKDGMEG-SJCJKPOMSA-N 0 0 337.489 3.600 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc3ccccc3[nH]1)CCCC2 ZINC000279282184 1043697338 /nfs/dbraw/zinc/69/73/38/1043697338.db2.gz XPYJSFFHVLWVKN-IBGZPJMESA-N 0 0 348.450 3.758 10 0 EHAERN CC(C)(C)CCCC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306813 1044597921 /nfs/dbraw/zinc/59/79/21/1044597921.db2.gz MIMGZFFDMDQXCR-UHFFFAOYSA-N 0 0 336.501 3.639 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)C(C)(C)C)cc1OC ZINC000112462906 1044607493 /nfs/dbraw/zinc/60/74/93/1044607493.db2.gz DMLLKMFVXOOPOJ-DZGCQCFKSA-N 0 0 334.460 3.985 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)C(C)(C)C)cc1OC ZINC000112462910 1044608894 /nfs/dbraw/zinc/60/88/94/1044608894.db2.gz DMLLKMFVXOOPOJ-ZFWWWQNUSA-N 0 0 334.460 3.985 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000282193857 1128054685 /nfs/dbraw/zinc/05/46/85/1128054685.db2.gz SMCWUGVBKUBULQ-FVQBIDKESA-N 0 0 346.858 3.977 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000105067860 1120314308 /nfs/dbraw/zinc/31/43/08/1120314308.db2.gz MXCXTJMZQOPCLQ-ZDUSSCGKSA-N 0 0 348.393 3.919 10 0 EHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000184449251 1132410680 /nfs/dbraw/zinc/41/06/80/1132410680.db2.gz JNJBXUKQALJOSG-CABCVRRESA-N 0 0 345.468 3.791 10 0 EHAERN COc1c(C)cc(CN(C)CN2C(=O)C[C@H]2c2ccccc2)cc1C ZINC000101539180 1135349350 /nfs/dbraw/zinc/34/93/50/1135349350.db2.gz AZXSKFKVMFLXNR-IBGZPJMESA-N 0 0 338.451 3.675 10 0 EHAERN Cc1nn(C)c(Cl)c1C(=O)OCCc1ccccc1C(F)(F)F ZINC000105776318 1135976299 /nfs/dbraw/zinc/97/62/99/1135976299.db2.gz SQPIKRCTOCFWGP-UHFFFAOYSA-N 0 0 346.736 3.800 10 0 EHAERN CC1(C)CCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000102920217 1137874466 /nfs/dbraw/zinc/87/44/66/1137874466.db2.gz OWEZEDMPVWHHHY-UHFFFAOYSA-N 0 0 332.444 3.817 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)[C@@H](C)c3ccccn3)c21 ZINC000103317582 1137875933 /nfs/dbraw/zinc/87/59/33/1137875933.db2.gz MMDZMQAXZKDWNA-HNNXBMFYSA-N 0 0 336.439 3.816 10 0 EHAERN CN1CCC(=O)Nc2cc(-c3nc(C(C)(C)C4CCC4)no3)ccc21 ZINC000333258832 1138271750 /nfs/dbraw/zinc/27/17/50/1138271750.db2.gz UEUYRDFOYJDTRE-UHFFFAOYSA-N 0 0 340.427 3.593 10 0 EHAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC2CCC(C(C)C)CC2)cn1 ZINC000333401514 1138286280 /nfs/dbraw/zinc/28/62/80/1138286280.db2.gz FMYGXEYNPBFTOJ-YVZJPGBNSA-N 0 0 347.503 3.559 10 0 EHAERN C[C@H]1C[C@H](c2noc([C@H]3COCCN3CC(F)(F)F)n2)C[C@@H](C)C1 ZINC000333707036 1138323015 /nfs/dbraw/zinc/32/30/15/1138323015.db2.gz RQZJFCOEEUDMJV-MROQNXINSA-N 0 0 347.381 3.545 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)C1(C)C ZINC000333860867 1138340028 /nfs/dbraw/zinc/34/00/28/1138340028.db2.gz PVWRQJHHYAOTHQ-CFZJUORYSA-N 0 0 331.460 3.509 10 0 EHAERN CCSc1cc(C(=O)N2CCC[C@H]2c2csc(C)n2)ccn1 ZINC000187119709 1140240065 /nfs/dbraw/zinc/24/00/65/1140240065.db2.gz ODCIZVVJRNBKNA-AWEZNQCLSA-N 0 0 333.482 3.936 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NOCc2ccc(F)cc2)cs1 ZINC000187457928 1140256041 /nfs/dbraw/zinc/25/60/41/1140256041.db2.gz IVNPFYVVNUWRRG-HNNXBMFYSA-N 0 0 335.404 3.569 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)c2oc3c(cccc3Cl)c2C)C[C@H]1C ZINC000187969449 1140278504 /nfs/dbraw/zinc/27/85/04/1140278504.db2.gz YMYZPWOFCYUXNA-ZYHUDNBSSA-N 0 0 349.814 3.666 10 0 EHAERN Cc1cc(C)c(C(N)=S)c(Nc2ccccc2Br)n1 ZINC000104172733 219355647 /nfs/dbraw/zinc/35/56/47/219355647.db2.gz NJEBBYRKUAOCHA-UHFFFAOYSA-N 0 0 336.258 3.839 10 0 EHAERN NC(=S)c1ccnc(Oc2ccc(Cl)cc2Br)c1 ZINC000019515317 202010107 /nfs/dbraw/zinc/01/01/07/202010107.db2.gz ZBZAOYBDKPZGEQ-UHFFFAOYSA-N 0 0 343.633 3.924 10 0 EHAERN CCN1C(=S)N[C@H]2c3cc(C(C)(C)C)cc(O)c3O[C@@]13CCC[C@@H]23 ZINC000020216231 202035877 /nfs/dbraw/zinc/03/58/77/202035877.db2.gz ZITPFULEQIBETB-ZUEVXXBESA-N 0 0 346.496 3.830 10 0 EHAERN C[C@@H](N[C@H](C)c1sccc1Br)C(=O)N1CCCCC1 ZINC000037784459 202036580 /nfs/dbraw/zinc/03/65/80/202036580.db2.gz MURKOHDHNZCQBI-GHMZBOCLSA-N 0 0 345.306 3.562 10 0 EHAERN Cc1cccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 ZINC000020372651 202040929 /nfs/dbraw/zinc/04/09/29/202040929.db2.gz UOGZCSKSHUEXEG-QGZVFWFLSA-N 0 0 336.435 3.912 10 0 EHAERN COc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000021024733 202060523 /nfs/dbraw/zinc/06/05/23/202060523.db2.gz VAIMEEQUXXMDKK-UHFFFAOYSA-N 0 0 340.206 3.941 10 0 EHAERN CCn1ncc(Cl)c1C(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021719026 202069222 /nfs/dbraw/zinc/06/92/22/202069222.db2.gz BRFIFYBISHRXGQ-CYBMUJFWSA-N 0 0 336.823 3.645 10 0 EHAERN CCOC(=O)[C@H](NCC(F)(F)F)c1c(Cl)cccc1Cl ZINC000037973820 202070863 /nfs/dbraw/zinc/07/08/63/202070863.db2.gz UQTYVBQNVROHEE-SNVBAGLBSA-N 0 0 330.133 3.750 10 0 EHAERN COC(=O)c1c(C)nc(NCc2ccccc2)nc1-c1ccccc1 ZINC000021990097 202076345 /nfs/dbraw/zinc/07/63/45/202076345.db2.gz YFTNRUFZARUBNL-UHFFFAOYSA-N 0 0 333.391 3.851 10 0 EHAERN Cc1ccc(OCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000027836486 202160333 /nfs/dbraw/zinc/16/03/33/202160333.db2.gz XUMJZZXBYFRMBC-KGLIPLIRSA-N 0 0 329.362 3.920 10 0 EHAERN COc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 ZINC000027555937 202156367 /nfs/dbraw/zinc/15/63/67/202156367.db2.gz LNBHRFBGYXKMIW-UHFFFAOYSA-N 0 0 328.755 3.651 10 0 EHAERN CC(C)[C@@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000031318541 202204391 /nfs/dbraw/zinc/20/43/91/202204391.db2.gz QTYCMDBMOLSEAM-SZMVWBNQSA-N 0 0 333.863 3.588 10 0 in-vitro EHAERN COc1cccc(/C=C2/SC(=N)N(c3ccc(F)cc3)C2=O)c1 ZINC000033321878 202257575 /nfs/dbraw/zinc/25/75/75/202257575.db2.gz HHUPSBXCBIDHMR-MKODQCMXSA-N 0 0 328.368 3.890 10 0 EHAERN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126087 202250444 /nfs/dbraw/zinc/25/04/44/202250444.db2.gz AOLNJCYIJDFAJC-MRXNPFEDSA-N 0 0 348.402 3.998 10 0 EHAERN N=C1N[C@](c2ccccc2)(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000034949140 213002055 /nfs/dbraw/zinc/00/20/55/213002055.db2.gz OQEIAHGVCLXMKC-OAQYLSRUSA-N 0 0 339.483 3.952 10 0 EHAERN CCCC[C@H](CC)COC(=O)CCCCC(=O)OCCCOC ZINC000033609231 202267753 /nfs/dbraw/zinc/26/77/53/202267753.db2.gz HDPFFQNSADQKPZ-INIZCTEOSA-N 0 0 330.465 3.886 10 0 EHAERN Clc1ccc(CC2=NNC(Cc3ccc(Cl)cc3)=NN2)cc1 ZINC000033806212 202270219 /nfs/dbraw/zinc/27/02/19/202270219.db2.gz LYWYRVJEQHGTQG-UHFFFAOYSA-N 0 0 333.222 3.598 10 0 EHAERN COc1ccc(CN2C(=O)CS[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000033890315 202270430 /nfs/dbraw/zinc/27/04/30/202270430.db2.gz UKPKEFRNADSZPZ-LJQANCHMSA-N 0 0 338.432 3.951 10 0 EHAERN CC(C)COc1cccc(-c2nc(C(=O)NCC3CC3)cs2)c1 ZINC000034717466 202276137 /nfs/dbraw/zinc/27/61/37/202276137.db2.gz JZARAMNMARWHAN-UHFFFAOYSA-N 0 0 330.453 3.985 10 0 EHAERN COc1ccc(/C=C\C(=O)Nc2cc(C)ccn2)cc1Br ZINC000035657234 202308533 /nfs/dbraw/zinc/30/85/33/202308533.db2.gz FNLVDCMGRODVRQ-XQRVVYSFSA-N 0 0 347.212 3.813 10 0 EHAERN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1 ZINC000035858158 202310625 /nfs/dbraw/zinc/31/06/25/202310625.db2.gz GJYHDNFJPKFHRH-UHFFFAOYSA-N 0 0 347.418 3.987 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@@H](OCc3cccc(C)c3)C2)cc1 ZINC000036314784 202321422 /nfs/dbraw/zinc/32/14/22/202321422.db2.gz VLTRTHNYNPCFSS-HXUWFJFHSA-N 0 0 339.435 3.825 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000036859953 202333342 /nfs/dbraw/zinc/33/33/42/202333342.db2.gz FJRZJWSIMCDGAA-RYUDHWBXSA-N 0 0 327.266 3.779 10 0 EHAERN COc1ccc(C(=O)c2cc(Br)ccc2F)c(F)c1 ZINC000036766205 202332171 /nfs/dbraw/zinc/33/21/71/202332171.db2.gz VQDFDFDHKBIBGV-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)c1ccc(Br)cc1 ZINC000037345061 202339446 /nfs/dbraw/zinc/33/94/46/202339446.db2.gz FNIQDKKYDGZDPT-FZMZJTMJSA-N 0 0 327.218 3.606 10 0 EHAERN COc1ccc(C(=O)c2ccc(F)cc2F)c(Br)c1 ZINC000037444616 202342505 /nfs/dbraw/zinc/34/25/05/202342505.db2.gz FHLUNYJOEFUIGE-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN COc1ccc([C@H]2c3cccn3CCCN2Cc2cccnc2)cc1O ZINC000037523486 202344843 /nfs/dbraw/zinc/34/48/43/202344843.db2.gz MXRCJRLDHKUWQJ-NRFANRHFSA-N 0 0 349.434 3.593 10 0 EHAERN CCN(C(=O)c1cc(Br)ccc1Cl)[C@@H](C)COC ZINC000037983964 202381912 /nfs/dbraw/zinc/38/19/12/202381912.db2.gz KACKRYDCEFTWEU-VIFPVBQESA-N 0 0 334.641 3.600 10 0 EHAERN CCOC(=O)[C@H](N[C@H](C)CC)c1ccc(F)c(Br)c1 ZINC000038067598 202392235 /nfs/dbraw/zinc/39/22/35/202392235.db2.gz YJWPLCMECCBGGQ-NOZJJQNGSA-N 0 0 332.213 3.581 10 0 EHAERN Cc1ccc(OCCn2c(CCO)nc3cc(C)c(C)cc32)cc1C ZINC000040310804 202433653 /nfs/dbraw/zinc/43/36/53/202433653.db2.gz QRCATDACMYRHEE-UHFFFAOYSA-N 0 0 338.451 3.884 10 0 EHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040782516 202463704 /nfs/dbraw/zinc/46/37/04/202463704.db2.gz YMCZAXMOXAWLBK-UHFFFAOYSA-N 0 0 331.301 3.963 10 0 EHAERN CCOc1ccc(Br)cc1/C=C/C(=O)N1CCCCC1 ZINC000040890633 202466309 /nfs/dbraw/zinc/46/63/09/202466309.db2.gz SDZCCMONESXDJD-RMKNXTFCSA-N 0 0 338.245 3.874 10 0 EHAERN CC(C)(C)Nc1ncnc(Nc2ccccc2Br)c1N ZINC000040680582 202458527 /nfs/dbraw/zinc/45/85/27/202458527.db2.gz SGJITJPHMUBIRI-UHFFFAOYSA-N 0 0 336.237 3.775 10 0 EHAERN CCCSc1ncnc2ccc(I)cc21 ZINC000028819725 212637836 /nfs/dbraw/zinc/63/78/36/212637836.db2.gz YBWBPEVQPSGXTN-UHFFFAOYSA-N 0 0 330.194 3.737 10 0 EHAERN CCOC(=O)c1cc2c(Cl)cc(Cl)cc2nc1C(=O)OCC ZINC000032099479 201070697 /nfs/dbraw/zinc/07/06/97/201070697.db2.gz CECRYKISFOHKKT-UHFFFAOYSA-N 0 0 342.178 3.895 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc2cccnc21 ZINC000010914555 201056963 /nfs/dbraw/zinc/05/69/63/201056963.db2.gz RYASIATUZGYWHZ-INIZCTEOSA-N 0 0 349.415 3.676 10 0 EHAERN O=C(Nc1ccccc1NC(=O)N1CCCC1)[C@@H]1C[C@@H]1c1ccco1 ZINC000123731270 201091632 /nfs/dbraw/zinc/09/16/32/201091632.db2.gz SFFAJZDHOMFEMB-UONOGXRCSA-N 0 0 339.395 3.650 10 0 EHAERN O=c1cc(C(F)(F)F)nc(Nc2ccc(Br)cc2)[nH]1 ZINC000057342348 201138542 /nfs/dbraw/zinc/13/85/42/201138542.db2.gz BXRVYSFIIGCKBG-UHFFFAOYSA-N 0 0 334.095 3.707 10 0 EHAERN CCO[C@H]1CSc2nc(Cc3cc(C)cc(C)c3)c(CC)c(=O)n21 ZINC000006425372 201361180 /nfs/dbraw/zinc/36/11/80/201361180.db2.gz PFHMOKLEJJDAJB-KRWDZBQOSA-N 0 0 344.480 3.654 10 0 EHAERN CCNc1cc(COC)nc(-c2ccc(Br)s2)n1 ZINC000051698060 202641566 /nfs/dbraw/zinc/64/15/66/202641566.db2.gz XLQMLVFBFKWWQF-UHFFFAOYSA-N 0 0 328.235 3.546 10 0 EHAERN CC(=O)N1c2ccc(-c3csc(-c4cnccn4)n3)cc2C[C@@H]1C ZINC000058265179 202747727 /nfs/dbraw/zinc/74/77/27/202747727.db2.gz DTJRFOZTOWYBTO-NSHDSACASA-N 0 0 336.420 3.565 10 0 EHAERN Cc1c(N)cccc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000022216246 212282986 /nfs/dbraw/zinc/28/29/86/212282986.db2.gz MIVTZWQAHARRIB-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN O=C(N[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000196134171 241034382 /nfs/dbraw/zinc/03/43/82/241034382.db2.gz WEAARGOMUYPMNN-PMACEKPBSA-N 0 0 342.398 3.573 10 0 EHAERN CCn1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1)C2 ZINC000211646167 241082829 /nfs/dbraw/zinc/08/28/29/241082829.db2.gz MDAQHONOLKZUJN-UHFFFAOYSA-N 0 0 349.409 3.908 10 0 EHAERN O=C(c1ccc(Br)cc1)[C@@H](O)c1c[nH]c2ccccc21 ZINC000002699729 201540393 /nfs/dbraw/zinc/54/03/93/201540393.db2.gz OGZMABUALFEPNV-INIZCTEOSA-N 0 0 330.181 3.847 10 0 EHAERN Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)[nH]c3ncnn32)cc1 ZINC000003909990 201585564 /nfs/dbraw/zinc/58/55/64/201585564.db2.gz DSUUBGRTMXFTSQ-UHFFFAOYSA-N 0 0 332.411 3.842 10 0 EHAERN Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000065148167 202825943 /nfs/dbraw/zinc/82/59/43/202825943.db2.gz IHZKOPXVIPSUAJ-MRXNPFEDSA-N 0 0 336.439 3.645 10 0 EHAERN CC(C)Nc1cccc(C(=O)Nc2cccc(N3CCOC3=O)c2)c1 ZINC000069703744 203040144 /nfs/dbraw/zinc/04/01/44/203040144.db2.gz KHSOJCPHHCAJEV-UHFFFAOYSA-N 0 0 339.395 3.716 10 0 EHAERN COC(=O)c1ccccc1SCc1nnc(Cc2ccccc2)o1 ZINC000069869294 203058534 /nfs/dbraw/zinc/05/85/34/203058534.db2.gz ODNZAKNTNODBIG-UHFFFAOYSA-N 0 0 340.404 3.739 10 0 EHAERN CCCCNC(=O)[C@@H](C)Nc1c(C)cc(Br)cc1C ZINC000020420376 212128142 /nfs/dbraw/zinc/12/81/42/212128142.db2.gz BOPBFUSMWRDTOF-GFCCVEGCSA-N 0 0 327.266 3.783 10 0 EHAERN COc1cccc(-c2ccnc3nc(Nc4ccccc4)[nH]c(=O)c32)c1 ZINC000072440945 203225595 /nfs/dbraw/zinc/22/55/95/203225595.db2.gz HKHSYINRJJFQSR-UHFFFAOYSA-N 0 0 344.374 3.737 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4ccccn4)c3c(=O)[nH]2)c(C)c1 ZINC000072440964 203225633 /nfs/dbraw/zinc/22/56/33/203225633.db2.gz NMGKDTHEZJQFDP-UHFFFAOYSA-N 0 0 343.390 3.741 10 0 EHAERN COc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000072412564 203218967 /nfs/dbraw/zinc/21/89/67/203218967.db2.gz KVIFMTVEFGKJQI-MRXNPFEDSA-N 0 0 345.855 3.743 10 0 EHAERN O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc2ccccc2c1 ZINC000077197405 203374119 /nfs/dbraw/zinc/37/41/19/203374119.db2.gz DVSYEJYCSOPZQR-UHFFFAOYSA-N 0 0 332.407 3.872 10 0 EHAERN NC(=S)c1ccc(F)c(COc2cccc(Br)c2)c1 ZINC000019806134 212070949 /nfs/dbraw/zinc/07/09/49/212070949.db2.gz OAORJIIWFDNXPN-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN COc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)c(OC)c1 ZINC000078536925 203421134 /nfs/dbraw/zinc/42/11/34/203421134.db2.gz WEAIEIRMHNELEF-UHFFFAOYSA-N 0 0 329.396 3.991 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOCC(=O)c2ccco2)C1 ZINC000095085185 203711872 /nfs/dbraw/zinc/71/18/72/203711872.db2.gz UUMRFSARCOKVHA-AWEZNQCLSA-N 0 0 337.416 3.516 10 0 EHAERN COC(=O)[C@]1(Nc2ccccc2Br)CCC[C@@H](C)C1 ZINC000104174490 204098524 /nfs/dbraw/zinc/09/85/24/204098524.db2.gz ZECUGPWHHQLABW-ABAIWWIYSA-N 0 0 326.234 3.983 10 0 EHAERN COC(=O)[C@@]1(Nc2cccc(Br)c2)CCC[C@@H](C)C1 ZINC000104178302 204099304 /nfs/dbraw/zinc/09/93/04/204099304.db2.gz DMIPETKKLKTYLZ-IAQYHMDHSA-N 0 0 326.234 3.983 10 0 EHAERN COC(=O)c1cc(OC)ccc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000135913226 205483181 /nfs/dbraw/zinc/48/31/81/205483181.db2.gz CCDSWGLQOYLLHH-UHFFFAOYSA-N 0 0 349.427 3.596 10 0 EHAERN Cn1c2ccccc2c2cc([Si](C)(C)c3ccccc3CO)ccc21 ZINC000169975393 206567565 /nfs/dbraw/zinc/56/75/65/206567565.db2.gz SOJMKAMJIIEKPL-UHFFFAOYSA-N 0 0 345.518 3.646 10 0 EHAERN CCC(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(C)C ZINC000006696073 210680418 /nfs/dbraw/zinc/68/04/18/210680418.db2.gz OVAMQXXWALMSBG-UHFFFAOYSA-N 0 0 347.503 3.884 10 0 EHAERN Fc1ccc(Br)c2c(I)c[nH]c21 ZINC000299889342 257917226 /nfs/dbraw/zinc/91/72/26/257917226.db2.gz HYZCJBKRKUDJOL-UHFFFAOYSA-N 0 0 339.933 3.674 10 0 EHAERN Cc1ccccc1NC[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000057340608 525268918 /nfs/dbraw/zinc/26/89/18/525268918.db2.gz ZNPUYWJEYBLQPK-CYBMUJFWSA-N 0 0 349.356 3.837 10 0 EHAERN CCn1nc(C)c(Br)c1C(=O)Oc1ccc(Cl)cc1 ZINC000000121442 563234395 /nfs/dbraw/zinc/23/43/95/563234395.db2.gz ADULSNYZXFUKBW-UHFFFAOYSA-N 0 0 343.608 3.847 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)CCOCc1ccccc1 ZINC000285549042 563430457 /nfs/dbraw/zinc/43/04/57/563430457.db2.gz OPYLMBNIMTYDRX-ZVDOUQERSA-N 0 0 345.483 3.526 10 0 EHAERN Cc1ccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C)no2)c(C)c1 ZINC000064890285 563698441 /nfs/dbraw/zinc/69/84/41/563698441.db2.gz APRICBLMDWRRQC-UHFFFAOYSA-N 0 0 346.390 3.576 10 0 EHAERN CCOC(=O)C12CCC(NC(=O)OCc3ccccc3)(CC1)CC2 ZINC000039092394 563922484 /nfs/dbraw/zinc/92/24/84/563922484.db2.gz MUYWBXXEGITRCE-UHFFFAOYSA-N 0 0 331.412 3.569 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2Cc2ncc(Cl)cc2Cl)[nH]1 ZINC000408473372 563996387 /nfs/dbraw/zinc/99/63/87/563996387.db2.gz YXEBBVFLCHTXGG-ZDUSSCGKSA-N 0 0 326.231 3.542 10 0 EHAERN O=C(C[C@@H](SCCO)c1ccc2c(c1)OCO2)c1cccs1 ZINC000003199778 564051522 /nfs/dbraw/zinc/05/15/22/564051522.db2.gz ILZOKRYZRVJBOM-MRXNPFEDSA-N 0 0 336.434 3.516 10 0 EHAERN CC1(C)Oc2cc3oc(-c4cc(O)cc(O)c4)cc3cc2C[C@@H]1O ZINC000014610081 564112565 /nfs/dbraw/zinc/11/25/65/564112565.db2.gz QFUCSEIKNTUPPA-SFHVURJKSA-N 0 0 326.348 3.585 10 0 endogenous,in-man EHAERN C[C@H](CNC(=O)OC(C)(C)C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685961771 564177182 /nfs/dbraw/zinc/17/71/82/564177182.db2.gz ODUZXIMKLZEHQD-JKSUJKDBSA-N 0 0 349.471 3.959 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc(C2CCCC2)nn1C ZINC000182325284 1032089019 /nfs/dbraw/zinc/08/90/19/1032089019.db2.gz SEBWRGOEJNNYKB-XIKOKIGWSA-N 0 0 325.412 3.581 10 0 EHAERN CC(C)CC1([NH2+]Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000701921941 977053943 /nfs/dbraw/zinc/05/39/43/977053943.db2.gz XWYLUAOQCFDTBH-UHFFFAOYSA-N 0 0 326.234 3.816 10 0 EHAERN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc(C(=O)[O-])cs1 ZINC000711407775 977544417 /nfs/dbraw/zinc/54/44/17/977544417.db2.gz RCVUEPDPCPRFCV-HNNXBMFYSA-N 0 0 344.480 3.543 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H](C)c1ccncc1 ZINC000182361870 1032092433 /nfs/dbraw/zinc/09/24/33/1032092433.db2.gz KXYDINCVDIEWHR-DYVFJYSZSA-N 0 0 341.459 3.809 10 0 EHAERN CCOC(=O)C[C@@H](C)N(C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000182647292 1032119118 /nfs/dbraw/zinc/11/91/18/1032119118.db2.gz QKNAKCVTUBOMHQ-GFCCVEGCSA-N 0 0 336.819 3.769 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C)o3)s2)C[C@H]1C ZINC000188015417 1015632234 /nfs/dbraw/zinc/63/22/34/1015632234.db2.gz QKPYUHAELITSMB-DGCLKSJQSA-N 0 0 347.436 3.588 10 0 EHAERN COC[C@H](Nc1cc(-c2nnc3n2CCCCC3)ccc1C)C1CC1 ZINC000182718658 1032123881 /nfs/dbraw/zinc/12/38/81/1032123881.db2.gz NBILIHJBIZNAEO-SFHVURJKSA-N 0 0 340.471 3.817 10 0 EHAERN Cc1ccc2c(c1)OCCC[C@H]2Nc1cccc(NS(C)(=O)=O)c1 ZINC000182772803 1032128419 /nfs/dbraw/zinc/12/84/19/1032128419.db2.gz XFWPRYDXIDHJJC-QGZVFWFLSA-N 0 0 346.452 3.692 10 0 EHAERN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c(C)n1C1CC1 ZINC000080508499 1032139194 /nfs/dbraw/zinc/13/91/94/1032139194.db2.gz RCFOXZKUQJKQMY-ROUUACIJSA-N 0 0 326.444 3.550 10 0 EHAERN Cc1nnnn1-c1cccc(N[C@H](C)c2ccc3ccccc3n2)c1 ZINC000182872875 1032147474 /nfs/dbraw/zinc/14/74/74/1032147474.db2.gz GZNCOZYYGDHLEW-CYBMUJFWSA-N 0 0 330.395 3.692 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000177987059 1016508024 /nfs/dbraw/zinc/50/80/24/1016508024.db2.gz FTJLRQMAWSEDGR-YVEFUNNKSA-N 0 0 339.888 3.829 10 0 EHAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000408000209 1016825586 /nfs/dbraw/zinc/82/55/86/1016825586.db2.gz ZZAVDGDLYFPFFM-NNIGNNQHSA-N 0 0 348.531 3.793 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C(C)(C)O1 ZINC000180414260 1016902893 /nfs/dbraw/zinc/90/28/93/1016902893.db2.gz ZFGXDXUPTQADAO-SRVKXCTJSA-N 0 0 336.398 3.753 10 0 EHAERN Cc1nn(C(C)(C)C)cc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000183064029 1032159594 /nfs/dbraw/zinc/15/95/94/1032159594.db2.gz XZQLWTUDDSVHFD-UHFFFAOYSA-N 0 0 329.469 3.938 10 0 EHAERN CO[C@@H](C)CCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183607046 1032212499 /nfs/dbraw/zinc/21/24/99/1032212499.db2.gz PHJKGVPQGFBESY-DOTOQJQBSA-N 0 0 341.455 3.598 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3sc(C)nc3C(F)(F)F)CCO2)o1 ZINC000183633223 1032213997 /nfs/dbraw/zinc/21/39/97/1032213997.db2.gz INUIKTXTNNQZKH-LBPRGKRZSA-N 0 0 346.374 3.945 10 0 EHAERN C[C@H](CNC(=O)N1CC=C(c2ccccc2)CC1)c1nccs1 ZINC000184291956 1032280093 /nfs/dbraw/zinc/28/00/93/1032280093.db2.gz HLCAOVATNYSILV-CQSZACIVSA-N 0 0 327.453 3.746 10 0 EHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000089399995 1032527641 /nfs/dbraw/zinc/52/76/41/1032527641.db2.gz YHGNVMFUAPTSQB-BLLLJJGKSA-N 0 0 344.480 3.578 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCCC[C@H]1c1nccs1 ZINC000176146199 1017314102 /nfs/dbraw/zinc/31/41/02/1017314102.db2.gz VBXVOHUIAYQUDH-CABCVRRESA-N 0 0 343.452 3.904 10 0 EHAERN Cc1nc2c(c(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)n1)CCCC2 ZINC000275635970 1017847278 /nfs/dbraw/zinc/84/72/78/1017847278.db2.gz NGILRLGZJVNWQO-GOSISDBHSA-N 0 0 337.471 3.607 10 0 EHAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)NC12CC3CC(CC(C3)C1)C2 ZINC000074831759 1017999566 /nfs/dbraw/zinc/99/95/66/1017999566.db2.gz OCPHAQSHAAQFCE-KQCPESONSA-N 0 0 342.487 3.635 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000246432117 1020806092 /nfs/dbraw/zinc/80/60/92/1020806092.db2.gz LLSYTUGGKTUPJF-NQBHXWOUSA-N 0 0 330.354 3.630 10 0 EHAERN Cc1csc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000057148320 1032935151 /nfs/dbraw/zinc/93/51/51/1032935151.db2.gz JQZOUPXHMFTPDX-UHFFFAOYSA-N 0 0 342.390 3.582 10 0 EHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093279637 1020912093 /nfs/dbraw/zinc/91/20/93/1020912093.db2.gz LDJIBAMOPBHJIE-CQSZACIVSA-N 0 0 341.459 3.511 10 0 EHAERN CCOc1cc(/C=C\C(=O)NCc2ccc(SC)cc2)ccc1O ZINC000588412466 1020919470 /nfs/dbraw/zinc/91/94/70/1020919470.db2.gz QDQXZXOAPUVPJC-XFFZJAGNSA-N 0 0 343.448 3.842 10 0 EHAERN O=C(/C=C\c1ccc(Cl)cc1)OC1CCN(CC(F)F)CC1 ZINC000588413475 1020933087 /nfs/dbraw/zinc/93/30/87/1020933087.db2.gz CZIKZQPQXHDABJ-UTCJRWHESA-N 0 0 329.774 3.626 10 0 EHAERN O=C(/C=C\c1ccc(O)cc1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000588416041 1021025214 /nfs/dbraw/zinc/02/52/14/1021025214.db2.gz RNWNKEHHQTVDLC-IBWPDUFMSA-N 0 0 325.383 3.778 10 0 EHAERN O=C1OC(c2ccc(F)cc2F)=N/C1=C/c1cccc2cnccc12 ZINC000588423533 1021431182 /nfs/dbraw/zinc/43/11/82/1021431182.db2.gz VFZKFHZTYIMADI-CAOOACKPSA-N 0 0 336.297 3.858 10 0 EHAERN CNC(=O)c1ccc(C)c(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000246581058 1021738272 /nfs/dbraw/zinc/73/82/72/1021738272.db2.gz WCVYFRHMISEYNU-JKIFEVAISA-N 0 0 329.444 3.540 10 0 EHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N[C@H](C)C[S@](C)=O ZINC000588430425 1021881761 /nfs/dbraw/zinc/88/17/61/1021881761.db2.gz NPZWOYAXXKCOFO-HRQROXHSSA-N 0 0 347.480 3.672 10 0 EHAERN Cc1nn(C)cc1N[C@@H]1CCCOc2cc(Br)ccc21 ZINC000187784179 1022256976 /nfs/dbraw/zinc/25/69/76/1022256976.db2.gz ACQPDHKNKUBYAJ-CYBMUJFWSA-N 0 0 336.233 3.817 10 0 EHAERN O=S(=O)(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccs1 ZINC000122949763 1022281950 /nfs/dbraw/zinc/28/19/50/1022281950.db2.gz FTVIJYICIYJWBB-AWEZNQCLSA-N 0 0 349.477 3.863 10 0 EHAERN Cc1ccc(CNC(=O)/C=C\c2ccncn2)c(Oc2ccccc2)c1 ZINC000588440065 1022455067 /nfs/dbraw/zinc/45/50/67/1022455067.db2.gz PYWMGGYWCDPUEZ-KTKRTIGZSA-N 0 0 345.402 3.907 10 0 EHAERN CCO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C[C@H]1C ZINC000333873838 1022706921 /nfs/dbraw/zinc/70/69/21/1022706921.db2.gz SKXZIQJJRDTHDN-AUUYWEPGSA-N 0 0 344.455 3.875 10 0 EHAERN COc1cc(F)cc2sc(NC(=O)/C=C\c3ncccc3C)nc21 ZINC000588452789 1023026979 /nfs/dbraw/zinc/02/69/79/1023026979.db2.gz BTAUISAKIXCNCS-WAYWQWQTSA-N 0 0 343.383 3.799 10 0 EHAERN O=C(/C=C\c1cccc(F)c1)NCc1nc2ccccc2n1C1CC1 ZINC000588454560 1023060209 /nfs/dbraw/zinc/06/02/09/1023060209.db2.gz WRKSJXUWTYFADG-FLIBITNWSA-N 0 0 335.382 3.840 10 0 EHAERN CC[C@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)c1cccs1 ZINC000190602169 1023953658 /nfs/dbraw/zinc/95/36/58/1023953658.db2.gz PYCINCPUYSBDBR-STQMWFEESA-N 0 0 347.488 3.701 10 0 EHAERN Cc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)ccc1F ZINC000103025304 1024016411 /nfs/dbraw/zinc/01/64/11/1024016411.db2.gz JDJBIRIIOCCGMC-MEDUHNTESA-N 0 0 326.371 3.981 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)c3cccc4[nH]ncc43)C2)sc1C ZINC000329668524 1024025014 /nfs/dbraw/zinc/02/50/14/1024025014.db2.gz RANAYUGAXNQRNM-ZDUSSCGKSA-N 0 0 340.452 3.656 10 0 EHAERN O=c1c2ccoc2ccn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000151036441 1024036800 /nfs/dbraw/zinc/03/68/00/1024036800.db2.gz UJMWRPJLIKRHPI-UHFFFAOYSA-N 0 0 326.739 3.951 10 0 EHAERN COc1cc(C)ccc1NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191324244 1024073928 /nfs/dbraw/zinc/07/39/28/1024073928.db2.gz TYRJVBBAIVZLEK-OAHLLOKOSA-N 0 0 326.396 3.908 10 0 EHAERN O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247045485 1024132409 /nfs/dbraw/zinc/13/24/09/1024132409.db2.gz ONKDNNDNVNQCOP-ZVDOUQERSA-N 0 0 342.483 3.864 10 0 EHAERN O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247045475 1024132877 /nfs/dbraw/zinc/13/28/77/1024132877.db2.gz ONKDNNDNVNQCOP-QKNQBKEWSA-N 0 0 342.483 3.864 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cn1 ZINC000151539228 1024172665 /nfs/dbraw/zinc/17/26/65/1024172665.db2.gz CCNUQUDASIBUMU-CYBMUJFWSA-N 0 0 346.456 3.657 10 0 EHAERN Cc1nc2ccc(Br)cn2c1-c1nc([C@H]2CC2(C)C)no1 ZINC000329749187 1024172990 /nfs/dbraw/zinc/17/29/90/1024172990.db2.gz HHQOXYMXUAULFK-SNVBAGLBSA-N 0 0 347.216 3.969 10 0 EHAERN Cc1oc2ccccc2c1CN1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O ZINC000330252747 1024372011 /nfs/dbraw/zinc/37/20/11/1024372011.db2.gz AGBYCHWCAUATNA-XYPHTWIQSA-N 0 0 338.407 3.837 10 0 EHAERN CN(CC(F)(F)F)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000102229204 1024414867 /nfs/dbraw/zinc/41/48/67/1024414867.db2.gz IPELMWIPJOYPQB-UHFFFAOYSA-N 0 0 338.167 3.747 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3C(F)(F)F)CCO2)o1 ZINC000151701584 1024444358 /nfs/dbraw/zinc/44/43/58/1024444358.db2.gz FBGCGEJOKUPXMM-HNNXBMFYSA-N 0 0 339.313 3.821 10 0 EHAERN CCC1(CC)CN(C(=O)/C(C)=C\c2ccc(C)cc2)CC[S@@]1=O ZINC000588487642 1024477754 /nfs/dbraw/zinc/47/77/54/1024477754.db2.gz XQTRYXHBAONKTO-NPSSKHJUSA-N 0 0 333.497 3.548 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCC3)CCO2)o1 ZINC000151719991 1024495673 /nfs/dbraw/zinc/49/56/73/1024495673.db2.gz TYHFTGJZTPXHDP-IBGZPJMESA-N 0 0 339.435 3.901 10 0 EHAERN COc1ccccc1[C@@H](C)CC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000151808914 1024712903 /nfs/dbraw/zinc/71/29/03/1024712903.db2.gz CQCRPDSFUSYSSL-IFXJQAMLSA-N 0 0 343.423 3.690 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCn3ccc4ccccc43)CCO2)o1 ZINC000151817886 1024730975 /nfs/dbraw/zinc/73/09/75/1024730975.db2.gz NCUHRYQNOOYXPG-IBGZPJMESA-N 0 0 338.407 3.533 10 0 EHAERN O=C1N[C@@H](CC2CC2)C(=O)N1[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330353982 1025101482 /nfs/dbraw/zinc/10/14/82/1025101482.db2.gz PBQOZUWKYHSPHC-JKSUJKDBSA-N 0 0 340.423 3.748 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000588496969 1025101826 /nfs/dbraw/zinc/10/18/26/1025101826.db2.gz CMSDQOVIQVWOGR-SQFISAMPSA-N 0 0 328.456 3.812 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCCC1(C)C ZINC000153694743 1025838384 /nfs/dbraw/zinc/83/83/84/1025838384.db2.gz MUARPLQJQDIMES-KBPBESRZSA-N 0 0 333.480 3.504 10 0 EHAERN CCC1CCC(c2noc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)CC1 ZINC000329593022 1026042445 /nfs/dbraw/zinc/04/24/45/1026042445.db2.gz CBJBMZNRCSMSSI-ZBCRRDGASA-N 0 0 331.460 3.869 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccc(Cl)nc3C)CC2)n1 ZINC000122120293 1026246424 /nfs/dbraw/zinc/24/64/24/1026246424.db2.gz WJCMOSPHNVGONU-UHFFFAOYSA-N 0 0 335.860 3.828 10 0 EHAERN COC(=O)c1sc(N2CC=C(c3cccs3)CC2)nc1Cl ZINC000301257257 1026740578 /nfs/dbraw/zinc/74/05/78/1026740578.db2.gz BWPKHLZEKPZBOL-UHFFFAOYSA-N 0 0 340.857 3.938 10 0 EHAERN CSc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000152910900 1026837432 /nfs/dbraw/zinc/83/74/32/1026837432.db2.gz YDNVSEPKEKMCGZ-MRXNPFEDSA-N 0 0 332.425 3.915 10 0 EHAERN Cc1cnn([C@@H]2CCCN(Cc3c(Cl)n(C)nc3C(C)C)C2)c1 ZINC000123051303 1026943697 /nfs/dbraw/zinc/94/36/97/1026943697.db2.gz CKOIRGUWLGPYRJ-CQSZACIVSA-N 0 0 335.883 3.539 10 0 EHAERN Cc1ccc2c(CCNC(=O)/C=C\c3ncccc3C)cn(C)c2c1 ZINC000588540462 1026960738 /nfs/dbraw/zinc/96/07/38/1026960738.db2.gz KGOBIBDQYLLIJS-HJWRWDBZSA-N 0 0 333.435 3.562 10 0 EHAERN Clc1cc(N2CCC(c3noc(C4CC4)n3)CC2)nc(C2CC2)n1 ZINC000302166234 1027076437 /nfs/dbraw/zinc/07/64/37/1027076437.db2.gz JKZRVEIXKQPOGC-UHFFFAOYSA-N 0 0 345.834 3.652 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@@H](C)c3nccs3)C2)cc1 ZINC000126004964 1027154301 /nfs/dbraw/zinc/15/43/01/1027154301.db2.gz YAVIZSBXFBHWSA-VNHYZAJKSA-N 0 0 345.468 3.800 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C/C=C/c3ccc(F)cc3)CCO2)o1 ZINC000127129619 1027277157 /nfs/dbraw/zinc/27/71/57/1027277157.db2.gz HDNRYABCFPEUME-DCKQQPRJSA-N 0 0 329.371 3.731 10 0 EHAERN O=C(NCCc1ccc(Cl)nc1)N1CC=C(c2cccs2)CC1 ZINC000123468346 1027325932 /nfs/dbraw/zinc/32/59/32/1027325932.db2.gz SLRKNFMZEIUNJT-UHFFFAOYSA-N 0 0 347.871 3.838 10 0 EHAERN CCn1c2ccc(F)cc2nc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127756098 1027348687 /nfs/dbraw/zinc/34/86/87/1027348687.db2.gz AFPILTHFVMLILL-YJBOKZPZSA-N 0 0 341.434 3.665 10 0 EHAERN COc1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000128219003 1027411290 /nfs/dbraw/zinc/41/12/90/1027411290.db2.gz DPBKUKJPBQJBCC-UHFFFAOYSA-N 0 0 331.441 3.547 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000129256717 1027537112 /nfs/dbraw/zinc/53/71/12/1027537112.db2.gz OAPIHVBHBPSWAG-XKQJLSEDSA-N 0 0 336.451 3.858 10 0 EHAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H](C)c3cc(C)oc3C)C2)c1 ZINC000111843645 1027936833 /nfs/dbraw/zinc/93/68/33/1027936833.db2.gz WADDNZOKSAFYIL-ZBFHGGJFSA-N 0 0 330.432 3.509 10 0 EHAERN O=C(CC1CCCC1)NC1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000114449929 1027969412 /nfs/dbraw/zinc/96/94/12/1027969412.db2.gz IBZSWUFZUKBHST-UHFFFAOYSA-N 0 0 345.418 3.632 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4c(cc(F)cc4C)[nH]3)CCO2)o1 ZINC000133363849 1028022513 /nfs/dbraw/zinc/02/25/13/1028022513.db2.gz WCFMOTOPNQIFJE-SFHVURJKSA-N 0 0 342.370 3.731 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C(C)(C)c3ccccc3F)CCO2)o1 ZINC000133530007 1028040518 /nfs/dbraw/zinc/04/05/18/1028040518.db2.gz SXTMVCHDQWGSDP-KRWDZBQOSA-N 0 0 331.387 3.605 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)CCO2)o1 ZINC000133681159 1028054834 /nfs/dbraw/zinc/05/48/34/1028054834.db2.gz ADXXGFQBWZTTKO-VKJFTORMSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)s1 ZINC000134633453 1028133405 /nfs/dbraw/zinc/13/34/05/1028133405.db2.gz MHRIXASTMBILIL-BBRMVZONSA-N 0 0 345.468 3.684 10 0 EHAERN CS[C@@H]1CCCCN(C(=O)c2nn(CC(C)C)cc2C(F)F)C1 ZINC000135572922 1028204931 /nfs/dbraw/zinc/20/49/31/1028204931.db2.gz NKHKISQZCIEHPY-GFCCVEGCSA-N 0 0 345.459 3.834 10 0 EHAERN O=C(Nc1ccc(Cl)c(F)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137102420 1028291378 /nfs/dbraw/zinc/29/13/78/1028291378.db2.gz RCYMBXUJBQIMIR-CYBMUJFWSA-N 0 0 335.766 3.559 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000246400887 1028329846 /nfs/dbraw/zinc/32/98/46/1028329846.db2.gz PRMOCEBMGRGYLI-OKZBNKHCSA-N 0 0 342.826 3.518 10 0 EHAERN O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@H](c2nccs2)C1 ZINC000067047760 1028354897 /nfs/dbraw/zinc/35/48/97/1028354897.db2.gz GHYMKRXKGSUKKH-LBPRGKRZSA-N 0 0 343.427 3.712 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1cccc(C)c1Br ZINC000588561223 1028397941 /nfs/dbraw/zinc/39/79/41/1028397941.db2.gz KAZAWWNZOVZXFC-HJWRWDBZSA-N 0 0 345.240 3.791 10 0 EHAERN Cn1cnc(-c2ccc(OC(=O)C/C=C\c3cccc(F)c3)cc2)n1 ZINC000588563567 1028486550 /nfs/dbraw/zinc/48/65/50/1028486550.db2.gz JVQXDEXQUIZIIP-HYXAFXHYSA-N 0 0 337.354 3.630 10 0 EHAERN CC(=O)c1cc(C(=O)N2CCC(Cc3ccccn3)CC2)ccc1C ZINC000194064661 1028487663 /nfs/dbraw/zinc/48/76/63/1028487663.db2.gz IKIZVIYZXQRCNK-UHFFFAOYSA-N 0 0 336.435 3.688 10 0 EHAERN Cc1ccnc(-c2ccc(NC(=O)[C@@H]3CCCc4cccnc43)cc2)n1 ZINC000194372054 1028510365 /nfs/dbraw/zinc/51/03/65/1028510365.db2.gz YNNGZFWAEAZQFB-GOSISDBHSA-N 0 0 344.418 3.906 10 0 EHAERN C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000073071411 1028539536 /nfs/dbraw/zinc/53/95/36/1028539536.db2.gz SIAKXSQLOMXLJX-AWEZNQCLSA-N 0 0 337.379 3.780 10 0 EHAERN COc1cc(CN2CCO[C@H](c3cccc(Cl)c3)C2)ccc1O ZINC000194994788 1028567365 /nfs/dbraw/zinc/56/73/65/1028567365.db2.gz NMJFQMMQTCNZSJ-SFHVURJKSA-N 0 0 333.815 3.628 10 0 EHAERN C[C@H](NC(=O)N[C@@H](C)C(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000074201360 1028602318 /nfs/dbraw/zinc/60/23/18/1028602318.db2.gz GOIXEYFDUQFZKS-QWRGUYRKSA-N 0 0 334.395 3.671 10 0 EHAERN O=C(CN1CCC[C@@H](c2nccs2)C1)Nc1ccc(Cl)cc1 ZINC000195351634 1028634834 /nfs/dbraw/zinc/63/48/34/1028634834.db2.gz ZWFWOPZEFUIJQE-GFCCVEGCSA-N 0 0 335.860 3.615 10 0 EHAERN CC(C)c1ccccc1OCCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246609310 1028667670 /nfs/dbraw/zinc/66/76/70/1028667670.db2.gz HRGDBPXGFGNPSY-KFKAGJAMSA-N 0 0 331.456 3.509 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Oc2ccccc2)o1 ZINC000247490298 1028794188 /nfs/dbraw/zinc/79/41/88/1028794188.db2.gz RNPHVQFPQXAMHA-ARFHVFGLSA-N 0 0 327.380 3.759 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000247690447 1028809419 /nfs/dbraw/zinc/80/94/19/1028809419.db2.gz QTZQBLKOXYHHIM-JENIJYKNSA-N 0 0 348.531 3.985 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)CCO1 ZINC000248520061 1028882888 /nfs/dbraw/zinc/88/28/88/1028882888.db2.gz BDTXLKXIWDJWOP-XOYOTBSWSA-N 0 0 331.456 3.605 10 0 EHAERN Cc1cc(=O)[nH]c([C@@H](C)N2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000248760501 1028946421 /nfs/dbraw/zinc/94/64/21/1028946421.db2.gz QLIPBLYJBJAGIY-OCCSQVGLSA-N 0 0 340.452 3.998 10 0 EHAERN Cc1nc(C(F)(F)F)c(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)s1 ZINC000248754541 1028947001 /nfs/dbraw/zinc/94/70/01/1028947001.db2.gz VMGBGBOEIQUJDJ-PWSUYJOCSA-N 0 0 344.406 3.750 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1ccncc1 ZINC000076944433 1029060331 /nfs/dbraw/zinc/06/03/31/1029060331.db2.gz DPNONGBYUUGMQY-GOEBONIOSA-N 0 0 327.403 3.556 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)[C@@H]2CCCC[C@H]21 ZINC000248448657 1029183602 /nfs/dbraw/zinc/18/36/02/1029183602.db2.gz XNPXWSQYPSIAPA-ISTRZQFTSA-N 0 0 327.428 3.614 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4oc(C)nc4c3)CCO2)o1 ZINC000154604003 1029240552 /nfs/dbraw/zinc/24/05/52/1029240552.db2.gz RZZUKBTWWUKJSM-KRWDZBQOSA-N 0 0 341.367 3.643 10 0 EHAERN Cc1ccc(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)nc1 ZINC000078792355 1029469459 /nfs/dbraw/zinc/46/94/59/1029469459.db2.gz AMPPVBJIPYBYNW-UHFFFAOYSA-N 0 0 348.811 3.672 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000155458403 1029542584 /nfs/dbraw/zinc/54/25/84/1029542584.db2.gz CGIFJTXGSBRCLM-BLLLJJGKSA-N 0 0 344.480 3.664 10 0 EHAERN Cc1c(C(=O)N2CCC[C@H]2CCC(C)C)cccc1N1CCNC1=O ZINC000155604915 1029598215 /nfs/dbraw/zinc/59/82/15/1029598215.db2.gz HUNIPULESQEEOU-INIZCTEOSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1c(C(=O)N2CCC[C@@H]2CCC(C)C)cccc1N1CCNC1=O ZINC000155604800 1029598440 /nfs/dbraw/zinc/59/84/40/1029598440.db2.gz HUNIPULESQEEOU-MRXNPFEDSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H](c3ccccc3)C3CC3)CC2)nc1 ZINC000156014836 1029732790 /nfs/dbraw/zinc/73/27/90/1029732790.db2.gz ZOIPEZJRXOAFMG-OAQYLSRUSA-N 0 0 349.478 3.669 10 0 EHAERN O=C(NCc1ccccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000114777527 1029746480 /nfs/dbraw/zinc/74/64/80/1029746480.db2.gz HGWFCUUZGHENJF-ZDUSSCGKSA-N 0 0 335.860 3.886 10 0 EHAERN O=C(NCCCc1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114818653 1029845140 /nfs/dbraw/zinc/84/51/40/1029845140.db2.gz LPJGFBLSCVCMPI-MRXNPFEDSA-N 0 0 329.469 3.665 10 0 EHAERN CCc1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000114823413 1029854318 /nfs/dbraw/zinc/85/43/18/1029854318.db2.gz VAOUVVQEOSLTPC-LBPRGKRZSA-N 0 0 335.498 3.856 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)cc1 ZINC000089366883 1029892537 /nfs/dbraw/zinc/89/25/37/1029892537.db2.gz UUHTYAQXTDYPAZ-UHFFFAOYSA-N 0 0 349.434 3.669 10 0 EHAERN Fc1cc(F)cc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202069 1030089112 /nfs/dbraw/zinc/08/91/12/1030089112.db2.gz OTZIPBQUAOUXQU-OAHLLOKOSA-N 0 0 335.741 3.880 10 0 EHAERN Cc1nc([C@@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)sc1C ZINC000329246115 1030110102 /nfs/dbraw/zinc/11/01/02/1030110102.db2.gz AMCYFSTUTPIBRA-CQSZACIVSA-N 0 0 342.530 3.602 10 0 EHAERN CC(C)C[C@H]1NC(=O)N(c2nc3c(s2)C[C@@H](C(C)(C)C)CC3)C1=O ZINC000329268604 1030182437 /nfs/dbraw/zinc/18/24/37/1030182437.db2.gz GRCZVMHRJLPNCN-WCQYABFASA-N 0 0 349.500 3.969 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(F)c(F)cc1Cl ZINC000170632846 1030693174 /nfs/dbraw/zinc/69/31/74/1030693174.db2.gz NOQXJUDZWXKMSG-UHFFFAOYSA-N 0 0 335.697 3.921 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000170883031 1030709712 /nfs/dbraw/zinc/70/97/12/1030709712.db2.gz LWSKOERLNIWBPD-BEFAXECRSA-N 0 0 332.407 3.626 10 0 EHAERN CCO[C@@H](C(=O)N1CCC(c2nc(C)cs2)CC1)c1ccccc1 ZINC000171220742 1030747565 /nfs/dbraw/zinc/74/75/65/1030747565.db2.gz JOKLGTFUFZQKSL-QGZVFWFLSA-N 0 0 344.480 3.935 10 0 EHAERN CCOc1ccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000171640556 1030770400 /nfs/dbraw/zinc/77/04/00/1030770400.db2.gz ITNYYQZMWQYRSO-INIZCTEOSA-N 0 0 344.480 3.881 10 0 EHAERN O=C(CCCOc1ccccc1)N1CCC(Cc2ccccn2)CC1 ZINC000171612596 1030799257 /nfs/dbraw/zinc/79/92/57/1030799257.db2.gz UFXSTQUEHDTRBE-UHFFFAOYSA-N 0 0 338.451 3.722 10 0 EHAERN COc1ccc(NC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171807861 1030821884 /nfs/dbraw/zinc/82/18/84/1030821884.db2.gz AKHOUUBQPLUHIN-UHFFFAOYSA-N 0 0 325.412 3.577 10 0 EHAERN C[C@H](O)c1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000172284145 1030879786 /nfs/dbraw/zinc/87/97/86/1030879786.db2.gz ZIKKNNFXRSAUMG-AWEZNQCLSA-N 0 0 342.464 3.800 10 0 EHAERN C[C@]12CC3CC(C(=O)N4CCC[C@H](c5nnc[nH]5)C4)(C1)C[C@@](C)(C3)C2 ZINC000364085294 1030921011 /nfs/dbraw/zinc/92/10/11/1030921011.db2.gz GUWGLEUDRQQVTC-JJYOYSIOSA-N 0 0 342.487 3.507 10 0 EHAERN O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc2cc(F)ccc2oc1=O ZINC000173063301 1031020684 /nfs/dbraw/zinc/02/06/84/1031020684.db2.gz LBHKKWPMADTNSX-UHFFFAOYSA-N 0 0 349.321 3.575 10 0 EHAERN O=c1c2sccc2ncn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000173027886 1031045221 /nfs/dbraw/zinc/04/52/21/1031045221.db2.gz GLHYDDQOUFOZEP-UHFFFAOYSA-N 0 0 343.795 3.815 10 0 EHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)n1 ZINC000173423804 1031088908 /nfs/dbraw/zinc/08/89/08/1031088908.db2.gz UTDWWYWPHXLJFI-ZWNOBZJWSA-N 0 0 333.284 3.741 10 0 EHAERN C[C@@H]1CN(C(=O)NCC[C@@H]2c3ccccc3NC2=O)[C@H]1c1ccccc1 ZINC000173459948 1031092536 /nfs/dbraw/zinc/09/25/36/1031092536.db2.gz GKRLJLILOOOVBY-LSBZLQRGSA-N 0 0 349.434 3.515 10 0 EHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCC3(CCCC3)C2)c1 ZINC000174605985 1031236895 /nfs/dbraw/zinc/23/68/95/1031236895.db2.gz HNCADNOFULARAW-UHFFFAOYSA-N 0 0 343.471 3.967 10 0 EHAERN COc1cccc(/C(C)=C/C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000175976513 1031401204 /nfs/dbraw/zinc/40/12/04/1031401204.db2.gz HEWIGGGXKWQYEL-UKYUDJEDSA-N 0 0 342.464 3.961 10 0 EHAERN C[C@@H]1CCC[C@H](N(C)C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000176625592 1031466426 /nfs/dbraw/zinc/46/64/26/1031466426.db2.gz HKQWRKBZPJEASJ-ZBFHGGJFSA-N 0 0 335.517 3.937 10 0 EHAERN CCc1noc(-c2ccc(C)c(NC(=O)N[C@H](C)CC3CC3)c2)n1 ZINC000177154282 1031515205 /nfs/dbraw/zinc/51/52/05/1031515205.db2.gz SBUYUTDQSFXRFK-GFCCVEGCSA-N 0 0 328.416 3.918 10 0 EHAERN O=C(c1ccc(F)c(F)c1F)N1CCC(Cc2ccccn2)CC1 ZINC000177202933 1031521319 /nfs/dbraw/zinc/52/13/19/1031521319.db2.gz FFUAQNLWNGIWDP-UHFFFAOYSA-N 0 0 334.341 3.594 10 0 EHAERN CC(C)c1nc(C2(NCCc3ccc4c(c3)CCO4)CCCC2)no1 ZINC000329645044 1031579444 /nfs/dbraw/zinc/57/94/44/1031579444.db2.gz INFQIEFWPLBFTR-UHFFFAOYSA-N 0 0 341.455 3.730 10 0 EHAERN C[C@@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000249295346 1031603259 /nfs/dbraw/zinc/60/32/59/1031603259.db2.gz CNMCQPZGODFGAZ-IIAWOOMASA-N 0 0 332.444 3.739 10 0 EHAERN O=C(c1csc([C@H]2CCCO2)n1)N1CC=C(c2ccccc2)CC1 ZINC000158791112 1031628501 /nfs/dbraw/zinc/62/85/01/1031628501.db2.gz NCXLPAJUNBIKFO-QGZVFWFLSA-N 0 0 340.448 3.924 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000117570346 1031754844 /nfs/dbraw/zinc/75/48/44/1031754844.db2.gz ZZHWIKUHJLRCRY-BZNIZROVSA-N 0 0 337.404 3.708 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cnc2ccc(F)cc2c1 ZINC000179259289 1031761802 /nfs/dbraw/zinc/76/18/02/1031761802.db2.gz BGBLOTNNNKVLAB-UHFFFAOYSA-N 0 0 334.310 3.676 10 0 EHAERN COc1ccc(OC(F)F)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117611057 1031778462 /nfs/dbraw/zinc/77/84/62/1031778462.db2.gz WEERCIQTSPTGRV-MGPLVRAMSA-N 0 0 349.333 3.800 10 0 EHAERN C[C@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)C1CCOCC1 ZINC000158993150 1031779658 /nfs/dbraw/zinc/77/96/58/1031779658.db2.gz GOWSHDUGDYYKQV-AWEZNQCLSA-N 0 0 342.439 3.597 10 0 EHAERN Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cccc1N(C)C ZINC000180116968 1031802686 /nfs/dbraw/zinc/80/26/86/1031802686.db2.gz BPEHFGGKLLMVRQ-SJLPKXTDSA-N 0 0 341.459 3.563 10 0 EHAERN COc1c(C)cc(C(=O)NC2CCN(c3cccs3)CC2)cc1C ZINC000179969277 1031824065 /nfs/dbraw/zinc/82/40/65/1031824065.db2.gz NMBSPASXKUFDTF-UHFFFAOYSA-N 0 0 344.480 3.772 10 0 EHAERN COc1cc(CN2CCO[C@@H](c3ccccc3Cl)C2)ccc1O ZINC000180076753 1031835973 /nfs/dbraw/zinc/83/59/73/1031835973.db2.gz AVKQQZXFYJAIGD-GOSISDBHSA-N 0 0 333.815 3.628 10 0 EHAERN CC(C)CC(=O)N[C@@H](C(=O)N1CC=C(c2cccs2)CC1)C(C)C ZINC000117719370 1031839944 /nfs/dbraw/zinc/83/99/44/1031839944.db2.gz RQGPWKJDTAXHOB-GOSISDBHSA-N 0 0 348.512 3.551 10 0 EHAERN Cc1c(C(=O)N2CC=C(c3cccs3)CC2)cnn1C(C)(C)C ZINC000117722110 1031842703 /nfs/dbraw/zinc/84/27/03/1031842703.db2.gz CHUHRAYMBJZWGZ-UHFFFAOYSA-N 0 0 329.469 3.938 10 0 EHAERN CCCc1csc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)n1 ZINC000180680487 1031897394 /nfs/dbraw/zinc/89/73/94/1031897394.db2.gz GJKIEGXZRCZTLR-CQSZACIVSA-N 0 0 335.429 3.602 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)CSc3ccccc3)CC2)nc1 ZINC000180856715 1031916690 /nfs/dbraw/zinc/91/66/90/1031916690.db2.gz OCQYFHBCWNGUPJ-UHFFFAOYSA-N 0 0 342.464 3.552 10 0 EHAERN CC(C)n1nccc1NC(=O)[C@@H](C)N1CC=C(c2cccs2)CC1 ZINC000117895301 1031920956 /nfs/dbraw/zinc/92/09/56/1031920956.db2.gz IXXRLCLQLHMKCN-CQSZACIVSA-N 0 0 344.484 3.642 10 0 EHAERN CCCc1cnc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)s1 ZINC000181269585 1031965104 /nfs/dbraw/zinc/96/51/04/1031965104.db2.gz HIVSPGNVBQKZJC-ZDUSSCGKSA-N 0 0 347.465 3.537 10 0 EHAERN O=C(Nc1ccc2c(c1)OCO2)N1CC=C(c2cccs2)CC1 ZINC000117954885 1031985358 /nfs/dbraw/zinc/98/53/58/1031985358.db2.gz HAKMBCBTWRGWJY-UHFFFAOYSA-N 0 0 328.393 3.798 10 0 EHAERN Cc1ccc2c(n1)OCCN2C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000181605090 1032010593 /nfs/dbraw/zinc/01/05/93/1032010593.db2.gz HKNASYPCPSYAOV-UHFFFAOYSA-N 0 0 327.771 3.564 10 0 EHAERN CCc1cc(NC(=O)N2CCC(Cc3nccn3C)CC2)ccc1C ZINC000181974570 1032052112 /nfs/dbraw/zinc/05/21/12/1032052112.db2.gz QDCVOVASIJAXOC-UHFFFAOYSA-N 0 0 340.471 3.778 10 0 EHAERN CN(CCNC(=O)CSc1ccc2c(c1)CCC2)c1ccccc1 ZINC000105238154 1033428509 /nfs/dbraw/zinc/42/85/09/1033428509.db2.gz GICXYLGCQTXBLP-UHFFFAOYSA-N 0 0 340.492 3.520 10 0 EHAERN CCOc1ccc(CNC(=O)[C@@H](C)c2cccc(OC)c2)cc1F ZINC000105984617 1033532061 /nfs/dbraw/zinc/53/20/61/1033532061.db2.gz SRDFWSBNLHLQCP-ZDUSSCGKSA-N 0 0 331.387 3.653 10 0 EHAERN COc1ccc(CCNC(=O)Nc2ccccc2)cc1OC(F)F ZINC000101603028 1033857293 /nfs/dbraw/zinc/85/72/93/1033857293.db2.gz BHIWYMWBNLFBJX-UHFFFAOYSA-N 0 0 336.338 3.661 10 0 EHAERN Cc1ccc(/C=C/CC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000084769193 1033922921 /nfs/dbraw/zinc/92/29/21/1033922921.db2.gz CJPNDXRRYSTJBC-ONEGZZNKSA-N 0 0 349.478 3.887 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C[C@H](C)O1 ZINC000282079085 1034056191 /nfs/dbraw/zinc/05/61/91/1034056191.db2.gz ZWYQCIYQQYTNTO-IVSAIRAKSA-N 0 0 346.471 3.792 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)n1 ZINC000121407754 1034939419 /nfs/dbraw/zinc/93/94/19/1034939419.db2.gz AJAHUIAYKQDGQA-UHFFFAOYSA-N 0 0 340.370 3.889 10 0 EHAERN Cn1cc(CN2C[C@@H]3CCC(=O)c4cccc2c43)c(-c2ccncc2)n1 ZINC000185628743 1035504405 /nfs/dbraw/zinc/50/44/05/1035504405.db2.gz LAPNWJBHVSDBPD-HNNXBMFYSA-N 0 0 344.418 3.562 10 0 EHAERN Fc1cc(F)c(CNCc2ncc(-c3ccccc3)cn2)cc1F ZINC000185875943 1035552505 /nfs/dbraw/zinc/55/25/05/1035552505.db2.gz QMDVWDWQRDUUIA-UHFFFAOYSA-N 0 0 329.325 3.851 10 0 EHAERN O=C(c1cc2c(s1)CCOC2)N1CC=C(c2ccccc2F)CC1 ZINC000186146331 1035591245 /nfs/dbraw/zinc/59/12/45/1035591245.db2.gz QRRXNBUKTNZWFX-UHFFFAOYSA-N 0 0 343.423 3.889 10 0 EHAERN O=C(c1cccc(-c2ccoc2)c1)N1CCCN(c2ccccn2)CC1 ZINC000186421376 1035629570 /nfs/dbraw/zinc/62/95/70/1035629570.db2.gz QLLRUJSLJBHISX-UHFFFAOYSA-N 0 0 347.418 3.694 10 0 EHAERN O=C(c1csc2ccccc12)N1CCCN(c2ccccn2)CC1 ZINC000186372844 1035649524 /nfs/dbraw/zinc/64/95/24/1035649524.db2.gz WPVPYAHWCKLFMH-UHFFFAOYSA-N 0 0 337.448 3.649 10 0 EHAERN C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186666986 1035681891 /nfs/dbraw/zinc/68/18/91/1035681891.db2.gz ROZBJZMRDFMLRM-CHWSQXEVSA-N 0 0 330.432 3.612 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000186955082 1035749609 /nfs/dbraw/zinc/74/96/09/1035749609.db2.gz CAKKPUHSUUAEKP-CVEARBPZSA-N 0 0 332.350 3.578 10 0 EHAERN O=C(Nc1ccccc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000186953387 1035751837 /nfs/dbraw/zinc/75/18/37/1035751837.db2.gz QEOCSVVPUCSQGP-UHFFFAOYSA-N 0 0 336.848 3.905 10 0 EHAERN O=C(Nc1ccc(Cl)cc1)N1CCC(Nc2nccs2)CC1 ZINC000186958169 1035754421 /nfs/dbraw/zinc/75/44/21/1035754421.db2.gz FPJOKRICAIPYDE-UHFFFAOYSA-N 0 0 336.848 3.905 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000174912414 1035778617 /nfs/dbraw/zinc/77/86/17/1035778617.db2.gz AUBCVYOIBZQCRM-RYUDHWBXSA-N 0 0 336.486 3.558 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000174912452 1035779173 /nfs/dbraw/zinc/77/91/73/1035779173.db2.gz AUBCVYOIBZQCRM-NWDGAFQWSA-N 0 0 336.486 3.558 10 0 EHAERN CC(C)Oc1ccc(CC(=O)NCc2ccccc2-n2ccnc2)cc1 ZINC000187532025 1035836551 /nfs/dbraw/zinc/83/65/51/1035836551.db2.gz PSMSIRDVRHQXHT-UHFFFAOYSA-N 0 0 349.434 3.518 10 0 EHAERN CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)cc1C ZINC000187674733 1035872863 /nfs/dbraw/zinc/87/28/63/1035872863.db2.gz AIKBAQUUVFTLLR-XSBJJCPUSA-N 0 0 341.407 3.600 10 0 EHAERN CCn1cc(C2CCN(C(=O)NCC3CCC(C)CC3)CC2)cn1 ZINC000157579636 1035883460 /nfs/dbraw/zinc/88/34/60/1035883460.db2.gz HAXJSJFTSDSHEO-UHFFFAOYSA-N 0 0 332.492 3.618 10 0 EHAERN O=C(Nc1c(F)cccc1F)N1CCC(Nc2nccs2)CC1 ZINC000188338363 1035912917 /nfs/dbraw/zinc/91/29/17/1035912917.db2.gz HPLOUHZHSDEWBP-UHFFFAOYSA-N 0 0 338.383 3.530 10 0 EHAERN COc1ccc(F)c(C(=O)N2CC=C(c3cccs3)CC2)c1OC ZINC000188472769 1035942568 /nfs/dbraw/zinc/94/25/68/1035942568.db2.gz XJPOJKHXYVDKPQ-UHFFFAOYSA-N 0 0 347.411 3.834 10 0 EHAERN CCc1nc([C@@H](C)NC(=O)N[C@H]2CCCc3c(O)cccc32)cs1 ZINC000188839520 1035989054 /nfs/dbraw/zinc/98/90/54/1035989054.db2.gz YCMSTOCSFWSQMH-RISCZKNCSA-N 0 0 345.468 3.849 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCc2c1cccc2F)[C@@H]1COc2ccccc21 ZINC000332746876 1036047983 /nfs/dbraw/zinc/04/79/83/1036047983.db2.gz PPZPMERMXSCLIS-IWEFOYFVSA-N 0 0 340.398 3.677 10 0 EHAERN Cc1nccn1-c1ccc(CNC(=O)Nc2ccsc2Cl)cn1 ZINC000189283830 1036051018 /nfs/dbraw/zinc/05/10/18/1036051018.db2.gz KOEBMGNKFMDMRB-UHFFFAOYSA-N 0 0 347.831 3.612 10 0 EHAERN Cc1cc(O)c(C(C)C)cc1NC(=O)C[C@@H](C)N1CCCCC1=O ZINC000189495269 1036071677 /nfs/dbraw/zinc/07/16/77/1036071677.db2.gz XDHQBRGFRUHQGJ-CQSZACIVSA-N 0 0 332.444 3.554 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCC1=O ZINC000332766421 1036089402 /nfs/dbraw/zinc/08/94/02/1036089402.db2.gz BBRRMGALHDHPEN-HLLBOEOZSA-N 0 0 341.451 3.945 10 0 EHAERN O=C(c1cc(F)c(F)c(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189848645 1036155151 /nfs/dbraw/zinc/15/51/51/1036155151.db2.gz PSZKNYURWKPCRW-UHFFFAOYSA-N 0 0 347.336 3.813 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2csc3ccccc23)C1 ZINC000190106053 1036193680 /nfs/dbraw/zinc/19/36/80/1036193680.db2.gz BBPFUVJGJCLXEQ-ZFWWWQNUSA-N 0 0 329.425 3.555 10 0 EHAERN COCCC[C@@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190263229 1036212530 /nfs/dbraw/zinc/21/25/30/1036212530.db2.gz YAVFFDRSZTZWOA-ZIAGYGMSSA-N 0 0 325.399 3.734 10 0 EHAERN COC(=O)Nc1ccc(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cc1 ZINC000190367508 1036229987 /nfs/dbraw/zinc/22/99/87/1036229987.db2.gz ZBNVAERLRDSRJQ-KBPBESRZSA-N 0 0 345.399 3.834 10 0 EHAERN COCCCCCNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190427854 1036238187 /nfs/dbraw/zinc/23/81/87/1036238187.db2.gz CUMMGSUATXSIJH-AWEZNQCLSA-N 0 0 340.414 3.671 10 0 EHAERN COc1cccc(CCC(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000190616862 1036268184 /nfs/dbraw/zinc/26/81/84/1036268184.db2.gz POYKEKPPRFVXEG-SFHVURJKSA-N 0 0 325.408 3.576 10 0 EHAERN CC(C)(C)n1cc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cn1 ZINC000191211653 1036349526 /nfs/dbraw/zinc/34/95/26/1036349526.db2.gz VQNYCKITAMWHGW-ZDUSSCGKSA-N 0 0 347.409 3.936 10 0 EHAERN O=C(c1ccc[nH]c1=S)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191531164 1036409201 /nfs/dbraw/zinc/40/92/01/1036409201.db2.gz IDTZOJNQDGWQMP-LLVKDONJSA-N 0 0 334.391 3.668 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191532584 1036409646 /nfs/dbraw/zinc/40/96/46/1036409646.db2.gz RSMPMVUDUZBLKX-HNAYVOBHSA-N 0 0 345.389 3.795 10 0 EHAERN CO[C@H](C)c1nc(CN2CC3(CCOCC3)c3ccccc32)cs1 ZINC000192278659 1036490287 /nfs/dbraw/zinc/49/02/87/1036490287.db2.gz MMYKIWJBDHYOMM-CQSZACIVSA-N 0 0 344.480 3.919 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccoc3Cl)C2)c1 ZINC000192335424 1036496667 /nfs/dbraw/zinc/49/66/67/1036496667.db2.gz XKHMBXYTTCFBPA-NSHDSACASA-N 0 0 335.787 3.580 10 0 EHAERN CN1Cc2cc(-c3csc(C4CCOCC4)n3)ccc2NC1=O ZINC000376399180 1036518263 /nfs/dbraw/zinc/51/82/63/1036518263.db2.gz YWGXXVYTWRRMJM-UHFFFAOYSA-N 0 0 329.425 3.681 10 0 EHAERN C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000091033117 1036739115 /nfs/dbraw/zinc/73/91/15/1036739115.db2.gz SWFIAWLAUXIXPY-SCLBCKFNSA-N 0 0 338.407 3.587 10 0 EHAERN CC[C@H](CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000103522568 1036920041 /nfs/dbraw/zinc/92/00/41/1036920041.db2.gz SPDXYYWITNUHDL-UZLBHIALSA-N 0 0 348.450 3.903 10 0 EHAERN Cc1cccc(CNC(=O)NC(C)(C)Cc2ccccc2Cl)n1 ZINC000103308697 1036957086 /nfs/dbraw/zinc/95/70/86/1036957086.db2.gz CYXPDAPVNSXEJG-UHFFFAOYSA-N 0 0 331.847 3.864 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)[C@H](c2ccco2)C1 ZINC000174441884 1036973120 /nfs/dbraw/zinc/97/31/20/1036973120.db2.gz PJJWJGVLRISTCO-BMFZPTHFSA-N 0 0 326.396 3.896 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2COc3ccccc32)o1 ZINC000174439383 1036974022 /nfs/dbraw/zinc/97/40/22/1036974022.db2.gz VZUFHOLLAIBFTO-CVEARBPZSA-N 0 0 326.396 3.958 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCc2sccc21 ZINC000126027575 1036987056 /nfs/dbraw/zinc/98/70/56/1036987056.db2.gz UJSBWTGKMTWIHK-UONOGXRCSA-N 0 0 344.484 3.534 10 0 EHAERN CC(C)(C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1F ZINC000101524816 1037570404 /nfs/dbraw/zinc/57/04/04/1037570404.db2.gz WLQVKFQYUMZRCE-UHFFFAOYSA-N 0 0 325.343 3.792 10 0 EHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc2cc[nH]c2c1 ZINC000101531874 1037571108 /nfs/dbraw/zinc/57/11/08/1037571108.db2.gz VABUXHQUXZJJKD-UHFFFAOYSA-N 0 0 349.365 3.935 10 0 EHAERN O=C(NC1CCN(C(=O)C2CCCCCC2)CC1)C1CCCCC1 ZINC000101820213 1037576160 /nfs/dbraw/zinc/57/61/60/1037576160.db2.gz LNAVKDYCPVDUMN-UHFFFAOYSA-N 0 0 334.504 3.644 10 0 EHAERN Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101868655 1037576702 /nfs/dbraw/zinc/57/67/02/1037576702.db2.gz DWARMNYXWLFXTM-UHFFFAOYSA-N 0 0 346.346 3.952 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000112722860 1037769438 /nfs/dbraw/zinc/76/94/38/1037769438.db2.gz VBDHWQNMWBDWLM-UKRRQHHQSA-N 0 0 327.428 3.905 10 0 EHAERN O=C(NCCc1ccccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000114826680 1037810261 /nfs/dbraw/zinc/81/02/61/1037810261.db2.gz HHBKNAGYOCUYTE-CQSZACIVSA-N 0 0 349.887 3.928 10 0 EHAERN O=C(NCCc1ccc(Cl)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114818616 1037810450 /nfs/dbraw/zinc/81/04/50/1037810450.db2.gz MIVFMSPVISEYNA-CQSZACIVSA-N 0 0 349.887 3.928 10 0 EHAERN O=C(NCCCOCC(F)(F)F)N(Cc1ccco1)C1CCCC1 ZINC000105128717 1037844676 /nfs/dbraw/zinc/84/46/76/1037844676.db2.gz QAKWKOJJFMXYTH-UHFFFAOYSA-N 0 0 348.365 3.703 10 0 EHAERN Cc1cc(C)n2ncc(-c3noc([C@H]4Oc5ccccc5[C@H]4C)n3)c2n1 ZINC000118166301 1037870200 /nfs/dbraw/zinc/87/02/00/1037870200.db2.gz YBICZZIIJJPSPI-WBMJQRKESA-N 0 0 347.378 3.633 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1cc(C)sc1C)CCC2 ZINC000332683327 1037950810 /nfs/dbraw/zinc/95/08/10/1037950810.db2.gz KNCITGQPTPHOBH-DZGCQCFKSA-N 0 0 346.500 3.808 10 0 EHAERN Clc1ccc(CN2CCCC[C@@H]2c2nc[nH]n2)c2ncccc12 ZINC000121731594 1037971626 /nfs/dbraw/zinc/97/16/26/1037971626.db2.gz VZVVPBPQMVSHGJ-OAHLLOKOSA-N 0 0 327.819 3.734 10 0 EHAERN CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124211162 1038152784 /nfs/dbraw/zinc/15/27/84/1038152784.db2.gz PRSVZXFOAHGTKK-MLGOLLRUSA-N 0 0 348.422 3.684 10 0 EHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(-c2ccncc2)on1 ZINC000123390383 1038732220 /nfs/dbraw/zinc/73/22/20/1038732220.db2.gz SWJBMQWPMWGENR-RYUDHWBXSA-N 0 0 339.317 3.588 10 0 EHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000156463715 1038882968 /nfs/dbraw/zinc/88/29/68/1038882968.db2.gz OMVWKFFFQCMJQE-WBMJQRKESA-N 0 0 349.862 3.838 10 0 EHAERN Cc1cnc([C@@H](C)Nc2ncc(C(=O)N3CCCCC3)cc2Cl)o1 ZINC000330229099 1039258915 /nfs/dbraw/zinc/25/89/15/1039258915.db2.gz CUEATKHLPKHBSN-GFCCVEGCSA-N 0 0 348.834 3.831 10 0 EHAERN CC(C)(C)CS(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000408428891 1040001755 /nfs/dbraw/zinc/00/17/55/1040001755.db2.gz HBLWVFPYKYRVRQ-OAHLLOKOSA-N 0 0 337.485 3.789 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000332930863 1040207226 /nfs/dbraw/zinc/20/72/26/1040207226.db2.gz DLXXONOZOLRUPI-XPABHHOTSA-N 0 0 348.409 3.612 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc2c(c1)CC(=O)N2 ZINC000245690338 1040369122 /nfs/dbraw/zinc/36/91/22/1040369122.db2.gz JMJZSWUZIFTPOE-HDEZJCGLSA-N 0 0 340.467 3.965 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCCc2sc(Cl)cc21)[C@H]1CCCO1 ZINC000332988797 1040771649 /nfs/dbraw/zinc/77/16/49/1040771649.db2.gz YSVNKKVRGGANTL-ZMLRMANQSA-N 0 0 328.865 3.646 10 0 EHAERN CCC1CCC(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000333023152 1040994799 /nfs/dbraw/zinc/99/47/99/1040994799.db2.gz JWUKWSZJPHIGHT-UYSNPLJNSA-N 0 0 340.533 3.699 10 0 EHAERN O=C(NCc1cc(F)cc2c1OCOC2)N1CCC2(CCCC2)CC1 ZINC000408201690 1042482322 /nfs/dbraw/zinc/48/23/22/1042482322.db2.gz GEPLQHFRAGFNJH-UHFFFAOYSA-N 0 0 348.418 3.558 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000408216990 1042647802 /nfs/dbraw/zinc/64/78/02/1042647802.db2.gz XTLUNBOAKLIXBM-XQLPTFJDSA-N 0 0 334.464 3.864 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2nccs2)cc1 ZINC000161833208 1042688623 /nfs/dbraw/zinc/68/86/23/1042688623.db2.gz YZJSFAIWLBPNSX-HNNXBMFYSA-N 0 0 348.493 3.749 10 0 EHAERN C[C@@H](NC(=O)N1CC=C(c2ccccc2F)CC1)c1ccncc1 ZINC000162667902 1042744015 /nfs/dbraw/zinc/74/40/15/1042744015.db2.gz NPZFAWRRAFVTMD-CQSZACIVSA-N 0 0 325.387 3.781 10 0 EHAERN C[C@@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1F ZINC000162635988 1042744065 /nfs/dbraw/zinc/74/40/65/1042744065.db2.gz KXGCLGMXPIAFRV-HNNXBMFYSA-N 0 0 343.446 3.534 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c2ccccc21 ZINC000153199733 1043027329 /nfs/dbraw/zinc/02/73/29/1043027329.db2.gz UPEJRQRBSWDVMU-HOLAOCEGSA-N 0 0 336.435 3.583 10 0 EHAERN Cc1sc2[nH]c(CN3CCC[C@H]3c3ccco3)nc(=O)c2c1C ZINC000163039085 1043886814 /nfs/dbraw/zinc/88/68/14/1043886814.db2.gz WOURPXGLELDKIU-LBPRGKRZSA-N 0 0 329.425 3.532 10 0 EHAERN Cc1sc2[nH]c(CN3CCC[C@@H]3c3ccco3)nc(=O)c2c1C ZINC000163038962 1043887822 /nfs/dbraw/zinc/88/78/22/1043887822.db2.gz WOURPXGLELDKIU-GFCCVEGCSA-N 0 0 329.425 3.532 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1F ZINC000247646066 1043981845 /nfs/dbraw/zinc/98/18/45/1043981845.db2.gz OVQAHHPZUKRLPS-VKJFTORMSA-N 0 0 344.434 3.684 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000105954680 1128475738 /nfs/dbraw/zinc/47/57/38/1128475738.db2.gz XULPUNYIKZSKLC-UHFFFAOYSA-N 0 0 344.411 3.786 10 0 EHAERN Cc1ccc(/C=C\CC(=O)N2Cc3cnnn3Cc3ccccc32)cc1 ZINC000588562502 1129477491 /nfs/dbraw/zinc/47/74/91/1129477491.db2.gz KPLNGCSDRUDETQ-PLNGDYQASA-N 0 0 344.418 3.585 10 0 EHAERN COc1c(C)cc(CN(C)Cn2nc(C3CC3)n(C)c2=S)cc1C ZINC000101539240 1135349118 /nfs/dbraw/zinc/34/91/18/1135349118.db2.gz UCVSRCZGMJDPKU-UHFFFAOYSA-N 0 0 346.500 3.543 10 0 EHAERN CC(C)(C(=O)OCCc1cccnc1)c1ccc(Br)cc1 ZINC000105557014 1135953728 /nfs/dbraw/zinc/95/37/28/1135953728.db2.gz XFZYENVXBSPGKU-UHFFFAOYSA-N 0 0 348.240 3.908 10 0 EHAERN CCOCCO[C@H](C)C(=O)Oc1cccc(Oc2ccccc2)c1 ZINC000105755019 1135969369 /nfs/dbraw/zinc/96/93/69/1135969369.db2.gz WCUMKIQZIASILD-OAHLLOKOSA-N 0 0 330.380 3.826 10 0 EHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000102984797 1137874684 /nfs/dbraw/zinc/87/46/84/1137874684.db2.gz SFUMGCJOVASAIB-CYBMUJFWSA-N 0 0 344.842 3.875 10 0 EHAERN CC(=O)c1c(C)[nH]c(C(=O)NCCc2c[nH]c3cccc(C)c23)c1C ZINC000103129707 1137875294 /nfs/dbraw/zinc/87/52/94/1137875294.db2.gz OSAYRBNLUVSKFQ-UHFFFAOYSA-N 0 0 337.423 3.596 10 0 EHAERN CCc1nc(CCNC(=O)N(Cc2ccco2)C2CCCC2)cs1 ZINC000105227822 1137880530 /nfs/dbraw/zinc/88/05/30/1137880530.db2.gz LFRACPXWRLZTKF-UHFFFAOYSA-N 0 0 347.484 3.995 10 0 EHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333917159 1138347656 /nfs/dbraw/zinc/34/76/56/1138347656.db2.gz BYHAVYIUOUUVMC-ORQFMDKSSA-N 0 0 339.435 3.554 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000334117910 1138373317 /nfs/dbraw/zinc/37/33/17/1138373317.db2.gz ITMHLJPMYHOUPW-NQZOLGFYSA-N 0 0 336.863 3.531 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c32)cs1 ZINC000187016549 1140232436 /nfs/dbraw/zinc/23/24/36/1140232436.db2.gz LGQFEKNAQJURFW-AWEZNQCLSA-N 0 0 342.424 3.582 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)cs1 ZINC000189784272 1140363581 /nfs/dbraw/zinc/36/35/81/1140363581.db2.gz LEJDUXIUSZPKFK-INIZCTEOSA-N 0 0 349.887 3.558 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2ccccc2N2CCOCC2)cs1 ZINC000189940793 1140373954 /nfs/dbraw/zinc/37/39/54/1140373954.db2.gz WNOWHRGMXHSFBN-IBGZPJMESA-N 0 0 343.496 3.625 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc3ccccc3s2)C1 ZINC000190103869 1140386947 /nfs/dbraw/zinc/38/69/47/1140386947.db2.gz SPSACWJQQKGTLH-HIFRSBDPSA-N 0 0 329.425 3.555 10 0 EHAERN C[C@@H]1CCC[C@@H](S(=O)(=O)Cc2ccc(N)cc2Br)C1 ZINC000054691970 214251517 /nfs/dbraw/zinc/25/15/17/214251517.db2.gz KEOSYJIFGHXYIY-ZWNOBZJWSA-N 0 0 346.290 3.525 10 0 EHAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1ccccc1F ZINC000008787435 201762099 /nfs/dbraw/zinc/76/20/99/201762099.db2.gz ZDXOEGFCVODRJJ-UHFFFAOYSA-N 0 0 325.387 3.711 10 0 EHAERN Nc1cc(NC(=O)c2ccccc2Br)c(F)cc1F ZINC000036738916 201791786 /nfs/dbraw/zinc/79/17/86/201791786.db2.gz LOJLAHYIXIEADO-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN Cc1cc(C(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)c(C)o1 ZINC000012437443 201847414 /nfs/dbraw/zinc/84/74/14/201847414.db2.gz PDBABBGEUXGJOK-SFHVURJKSA-N 0 0 348.406 3.556 10 0 EHAERN Nc1ccc(Cl)c(NC(=O)c2ccccc2Br)c1 ZINC000020343251 202039687 /nfs/dbraw/zinc/03/96/87/202039687.db2.gz PGOKZEJULGHFIZ-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)c1 ZINC000020374050 202040686 /nfs/dbraw/zinc/04/06/86/202040686.db2.gz KSWMHYXJTWFMHL-GOSISDBHSA-N 0 0 348.446 3.784 10 0 EHAERN COc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c1 ZINC000021107278 202062437 /nfs/dbraw/zinc/06/24/37/202062437.db2.gz OWTMOWXKAGZILB-FQEVSTJZSA-N 0 0 345.402 3.857 10 0 EHAERN CCNC(=O)c1cc(N[C@H](C)c2cccc(Br)c2)ccn1 ZINC000038012624 202084153 /nfs/dbraw/zinc/08/41/53/202084153.db2.gz XKTWGTXRHYIUIN-LLVKDONJSA-N 0 0 348.244 3.767 10 0 EHAERN CCOC(=O)c1ccsc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000037975108 202071817 /nfs/dbraw/zinc/07/18/17/202071817.db2.gz GKLGBSKPJRZKMT-UHFFFAOYSA-N 0 0 345.207 3.879 10 0 EHAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000022677700 202089660 /nfs/dbraw/zinc/08/96/60/202089660.db2.gz OENXPCMTCGBUQF-SJKOYZFVSA-N 0 0 346.377 3.748 10 0 EHAERN COc1ccc(N)cc1CNC(=O)c1cccc(Cl)c1Cl ZINC000038033347 202091548 /nfs/dbraw/zinc/09/15/48/202091548.db2.gz WJJYUIDNPVZNIZ-UHFFFAOYSA-N 0 0 325.195 3.514 10 0 EHAERN Cc1ncc2cc(-c3c(Cl)cccc3Br)c(N)nc2n1 ZINC000027299696 202153891 /nfs/dbraw/zinc/15/38/91/202153891.db2.gz PGKBSDCDJXHQHU-UHFFFAOYSA-N 0 0 349.619 3.998 10 0 EHAERN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(F)cc1F)C(C)C ZINC000027465275 202154886 /nfs/dbraw/zinc/15/48/86/202154886.db2.gz FLITWZBYKWLKJY-QGZVFWFLSA-N 0 0 346.377 3.666 10 0 EHAERN COc1ccc2c(c1)nc(C(F)(F)F)nc2NCc1cccnc1 ZINC000032545184 202227251 /nfs/dbraw/zinc/22/72/51/202227251.db2.gz CXXMDRZZMZXAHN-UHFFFAOYSA-N 0 0 334.301 3.664 10 0 EHAERN CCc1ccccc1NC(=O)c1cnc2ccc(Cl)cc2c1O ZINC000032604995 202228515 /nfs/dbraw/zinc/22/85/15/202228515.db2.gz YNUZKESAFLOAHQ-UHFFFAOYSA-N 0 0 326.783 3.996 10 0 EHAERN Cc1sc(NC(=O)/C=C\c2cccc(Cl)c2)c(C(N)=O)c1C ZINC000033313998 202257532 /nfs/dbraw/zinc/25/75/32/202257532.db2.gz RNLHRKWIHSATBT-SREVYHEPSA-N 0 0 334.828 3.769 10 0 EHAERN O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1 ZINC000034106454 202272479 /nfs/dbraw/zinc/27/24/79/202272479.db2.gz YYWPQBAOKFBAHT-DHDCSXOGSA-N 0 0 325.345 3.656 10 0 EHAERN Cc1ccc2ncn(C3CCN(C(=O)COc4ccccc4)CC3)c2c1 ZINC000034915275 202281232 /nfs/dbraw/zinc/28/12/32/202281232.db2.gz LQNBKEMFWYEIGY-UHFFFAOYSA-N 0 0 349.434 3.587 10 0 EHAERN Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000034940551 202281850 /nfs/dbraw/zinc/28/18/50/202281850.db2.gz KOLLEBBMPAIWLH-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN Nc1ccc(F)cc1COc1cccc(I)c1 ZINC000035308867 202296324 /nfs/dbraw/zinc/29/63/24/202296324.db2.gz KVZMLQXEMULQOD-UHFFFAOYSA-N 0 0 343.139 3.592 10 0 EHAERN O=C(Nc1c(Cl)cc(Br)cc1Cl)c1cn[nH]c1 ZINC000036165998 202318156 /nfs/dbraw/zinc/31/81/56/202318156.db2.gz PZXUPMOTHDFCBJ-UHFFFAOYSA-N 0 0 334.988 3.731 10 0 EHAERN CCOC(=O)c1sc(-c2ccc(Br)s2)cc1N ZINC000036929262 202334368 /nfs/dbraw/zinc/33/43/68/202334368.db2.gz XMBBHPVRPNCTKK-UHFFFAOYSA-N 0 0 332.244 3.998 10 0 EHAERN CCOc1nc(Sc2ccc(Br)cc2)ccc1N ZINC000037078035 202335489 /nfs/dbraw/zinc/33/54/89/202335489.db2.gz ZJIIWGSCEIULBI-UHFFFAOYSA-N 0 0 325.231 3.976 10 0 EHAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(C)no1 ZINC000036616798 202327294 /nfs/dbraw/zinc/32/72/94/202327294.db2.gz DQEAPJDTLIGLCJ-UHFFFAOYSA-N 0 0 347.378 3.667 10 0 EHAERN CCOc1ccc(-n2nnc(C(=O)Oc3ccccc3C)c2C)cc1 ZINC000036639006 202328312 /nfs/dbraw/zinc/32/83/12/202328312.db2.gz BPDBXTVXSLFQRV-UHFFFAOYSA-N 0 0 337.379 3.502 10 0 EHAERN C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000036758441 202331193 /nfs/dbraw/zinc/33/11/93/202331193.db2.gz LUIQMKOQDDNFBS-NSHDSACASA-N 0 0 349.333 3.550 10 0 EHAERN Nc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000037392083 202340867 /nfs/dbraw/zinc/34/08/67/202340867.db2.gz OANABMRVVDUQAL-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000073652571 202369362 /nfs/dbraw/zinc/36/93/62/202369362.db2.gz BUJBLTPBYJNLBV-ZDUSSCGKSA-N 0 0 328.453 3.643 10 0 EHAERN NC(=O)[C@@H](Nc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000037944464 202379138 /nfs/dbraw/zinc/37/91/38/202379138.db2.gz XLGLMSFYPIBVGU-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN C[C@H](NC(=O)c1ccc(Cl)nc1)c1cccc(Br)c1 ZINC000037983337 202381930 /nfs/dbraw/zinc/38/19/30/202381930.db2.gz SLFCQDCLYFMLPP-VIFPVBQESA-N 0 0 339.620 3.989 10 0 EHAERN COc1ccc(C)cc1Nc1ncnc(Nc2ncccc2C)c1N ZINC000040684274 202458947 /nfs/dbraw/zinc/45/89/47/202458947.db2.gz UAXFFTCYNDIYMS-UHFFFAOYSA-N 0 0 336.399 3.566 10 0 EHAERN CCOC(=O)c1cnc2cc(Br)c(F)cc2c1Cl ZINC000261508821 201193345 /nfs/dbraw/zinc/19/33/45/201193345.db2.gz XGUXMXHHXGLPDE-UHFFFAOYSA-N 0 0 332.556 3.967 10 0 EHAERN CCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F ZINC000042774299 202502181 /nfs/dbraw/zinc/50/21/81/202502181.db2.gz TZOOCEYUUBVQLX-UHFFFAOYSA-N 0 0 330.169 3.578 10 0 EHAERN CCO[C@H]1CSc2nc(=O)c(C(C)C)c(Cc3ccccc3)n21 ZINC000006411099 201361163 /nfs/dbraw/zinc/36/11/63/201361163.db2.gz DGPTYSFHJPZPQU-HNNXBMFYSA-N 0 0 330.453 3.598 10 0 EHAERN CS(=O)(=O)c1ccc(-c2occc(=O)c2-c2ccc(F)cc2)cc1 ZINC000026284301 201386205 /nfs/dbraw/zinc/38/62/05/201386205.db2.gz RUAGOKUSUUWRQE-UHFFFAOYSA-N 0 0 344.363 3.516 10 0 EHAERN Cc1ccc(-n2cc3c(n2)N(C(=O)OC(C)(C)C)CCCC3=O)cc1 ZINC000045796122 202557159 /nfs/dbraw/zinc/55/71/59/202557159.db2.gz ZIWZTDQGPXIGBV-UHFFFAOYSA-N 0 0 341.411 3.899 10 0 EHAERN CC(=O)c1cnc(N(C)Cc2ccccc2Br)s1 ZINC000054863348 202675991 /nfs/dbraw/zinc/67/59/91/202675991.db2.gz BRJQCKWGBAYPNX-UHFFFAOYSA-N 0 0 325.231 3.745 10 0 EHAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cc2ccccc2c(=O)[nH]1 ZINC000056350965 202710775 /nfs/dbraw/zinc/71/07/75/202710775.db2.gz GVXWZNOJZDCUOY-INIZCTEOSA-N 0 0 338.794 3.599 10 0 EHAERN Cn1ncc(-c2nc(-c3cc(Cl)c(N)c(Cl)c3)no2)c1Cl ZINC000000160119 201442145 /nfs/dbraw/zinc/44/21/45/201442145.db2.gz STZLGDMURVYERI-UHFFFAOYSA-N 0 0 344.589 3.680 10 0 EHAERN COc1ccc(Br)cc1/C=C1/Oc2ccccc2NC1=O ZINC000000216824 201450325 /nfs/dbraw/zinc/45/03/25/201450325.db2.gz NOQNUDCLYPRHDN-OQLLNIDSSA-N 0 0 346.180 3.830 10 0 EHAERN CCc1ccc(NC(=O)[C@@H](C)NC(=O)c2cc3ccccc3o2)cc1 ZINC000000265042 201454806 /nfs/dbraw/zinc/45/48/06/201454806.db2.gz SCUATVLCOXJNSN-CYBMUJFWSA-N 0 0 336.391 3.752 10 0 EHAERN Cc1nn(-c2ccccc2)c2nc(=O)n(-c3ccccc3Cl)cc12 ZINC000000416780 201470120 /nfs/dbraw/zinc/47/01/20/201470120.db2.gz BSEVKUUQVDVTER-UHFFFAOYSA-N 0 0 336.782 3.533 10 0 EHAERN CCOC(=O)c1c(I)ccc2ccccc21 ZINC000021995519 212268454 /nfs/dbraw/zinc/26/84/54/212268454.db2.gz BWCHMLLQLGTDCM-UHFFFAOYSA-N 0 0 326.133 3.621 10 0 EHAERN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004727212 201613828 /nfs/dbraw/zinc/61/38/28/201613828.db2.gz QIVOTMOKECOCJC-OCBUSJJZSA-N 0 0 334.500 3.566 10 0 in-vitro EHAERN CN(C(=O)c1cc2ccccc2nc1N1CCCC1)c1nccs1 ZINC000069701871 203038827 /nfs/dbraw/zinc/03/88/27/203038827.db2.gz TYTPAFXVDFWXGI-UHFFFAOYSA-N 0 0 338.436 3.568 10 0 EHAERN N[C@@H](c1ccc(Cl)c(I)c1)C(F)(F)F ZINC000072190924 203183437 /nfs/dbraw/zinc/18/34/37/203183437.db2.gz WIMVNRFLOCKKMJ-ZETCQYMHSA-N 0 0 335.494 3.507 10 0 EHAERN CCOC(=O)C=C(Nc1ccc(OC)cc1N)c1ccc(Cl)cc1 ZINC000072236452 203184163 /nfs/dbraw/zinc/18/41/63/203184163.db2.gz GKBVIZJLZIUBEC-GZTJUZNOSA-N 0 0 346.814 3.947 10 0 EHAERN CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccccc1 ZINC000072441715 203226109 /nfs/dbraw/zinc/22/61/09/203226109.db2.gz VIZCSKHZGCAPKW-UHFFFAOYSA-N 0 0 340.471 3.529 10 0 EHAERN Cc1cc(Br)ccc1NCc1cc(C(N)=O)ccc1F ZINC000020042991 212097490 /nfs/dbraw/zinc/09/74/90/212097490.db2.gz FQRXTHKKIMKGGY-UHFFFAOYSA-N 0 0 337.192 3.608 10 0 EHAERN CCCc1nc(-c2c(C)cc(C)nc2NC(=O)C2CCCC2)no1 ZINC000075550976 203318643 /nfs/dbraw/zinc/31/86/43/203318643.db2.gz SVYGFBFDBHVSJY-UHFFFAOYSA-N 0 0 328.416 3.830 10 0 EHAERN CCOc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682727 203519532 /nfs/dbraw/zinc/51/95/32/203519532.db2.gz GMQXFUKNZAKBBX-UHFFFAOYSA-N 0 0 332.713 3.873 10 0 EHAERN CCOC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1 ZINC000019511125 212035611 /nfs/dbraw/zinc/03/56/11/212035611.db2.gz XGKGDXNRASEZQL-UHFFFAOYSA-N 0 0 340.148 3.952 10 0 EHAERN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095087143 203712095 /nfs/dbraw/zinc/71/20/95/203712095.db2.gz DCQLIUSAPOUALL-GFCCVEGCSA-N 0 0 333.457 3.790 10 0 EHAERN COc1ccc(Br)c(C(=O)Nc2ccc(C)c(N)c2)c1 ZINC000019475332 212030591 /nfs/dbraw/zinc/03/05/91/212030591.db2.gz QGSDBTXNWQCMEX-UHFFFAOYSA-N 0 0 335.201 3.601 10 0 EHAERN Cc1ccsc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nnnn21 ZINC000102793822 204050489 /nfs/dbraw/zinc/05/04/89/204050489.db2.gz AFIOASVHGCPHRG-CYBMUJFWSA-N 0 0 329.816 3.752 10 0 EHAERN Ic1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000104163967 204098050 /nfs/dbraw/zinc/09/80/50/204098050.db2.gz WVPHGGBIJLHJDU-UHFFFAOYSA-N 0 0 347.159 3.743 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000104172031 204098475 /nfs/dbraw/zinc/09/84/75/204098475.db2.gz UULNSGZSGMKSPT-RAIGVLPGSA-N 0 0 327.266 3.968 10 0 EHAERN C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Br)c(N)c1 ZINC000042828663 204150272 /nfs/dbraw/zinc/15/02/72/204150272.db2.gz FRQKPGKDKHIKNI-PWSUYJOCSA-N 0 0 325.250 3.587 10 0 EHAERN C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)[C@H]1CCCO1 ZINC000027901348 524876201 /nfs/dbraw/zinc/87/62/01/524876201.db2.gz MKGGKWUTBSGZIC-DIKMTWMYSA-N 0 0 330.815 3.585 10 0 EHAERN CCCC(=O)N[C@H]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000044137812 563926249 /nfs/dbraw/zinc/92/62/49/563926249.db2.gz RNXOBYKNSDWELN-KBPBESRZSA-N 0 0 326.234 3.586 10 0 EHAERN CCc1ccc(NC(=O)[C@H](C)NC(=O)c2cc3ccccc3o2)cc1 ZINC000000265046 563989954 /nfs/dbraw/zinc/98/99/54/563989954.db2.gz SCUATVLCOXJNSN-ZDUSSCGKSA-N 0 0 336.391 3.752 10 0 EHAERN Brc1ccc(-c2nc3n(n2)-c2ccccc2CC3)cc1 ZINC000000401007 564082645 /nfs/dbraw/zinc/08/26/45/564082645.db2.gz QOTDEZOOFDCBHQ-UHFFFAOYSA-N 0 0 326.197 3.795 10 0 EHAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1)c1ccccc1 ZINC000006809499 564098429 /nfs/dbraw/zinc/09/84/29/564098429.db2.gz LJLCJSJAIDMDPZ-ZWKOTPCHSA-N 0 0 348.443 3.527 10 0 EHAERN O=C(NC[C@@]1(c2ccccc2)CCCOCC1)c1ccccc1F ZINC000065226133 564103090 /nfs/dbraw/zinc/10/30/90/564103090.db2.gz CBQBSJZDBVIUNT-HXUWFJFHSA-N 0 0 327.399 3.694 10 0 EHAERN Cc1c(I)c(-c2ccncc2)nn1CC(C)C ZINC000409443122 568415351 /nfs/dbraw/zinc/41/53/51/568415351.db2.gz HJTYAAWCJUGPOE-UHFFFAOYSA-N 0 0 341.196 3.514 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]CCc2sccc2Br)cc1 ZINC000713058727 955070571 /nfs/dbraw/zinc/07/05/71/955070571.db2.gz APJLUENCFQOSJJ-UHFFFAOYSA-N 0 0 340.242 3.541 10 0 EHAERN CC(C)(CC[NH2+]Cc1cccc(Cl)c1Br)C(=O)[O-] ZINC000720145571 969108938 /nfs/dbraw/zinc/10/89/38/969108938.db2.gz REUPBGMWAKJWJX-UHFFFAOYSA-N 0 0 334.641 3.693 10 0 EHAERN C1[C@H](c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)[C@@H]1C1CCCCC1 ZINC000329743175 1032086205 /nfs/dbraw/zinc/08/62/05/1032086205.db2.gz XAWISIHPJPYBQM-QZWWFDLISA-N 0 0 331.460 3.679 10 0 EHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C[C@H](C)C3CCCCC3)C2)n1 ZINC000116772982 1014272783 /nfs/dbraw/zinc/27/27/83/1014272783.db2.gz DKMSSDOHMFRYJX-YJBOKZPZSA-N 0 0 346.519 3.740 10 0 EHAERN CCC[C@@](C)([NH2+]Cc1cccc(Br)c1Cl)C(=O)[O-] ZINC000706424413 977315848 /nfs/dbraw/zinc/31/58/48/977315848.db2.gz HRPHILWFTKQPEW-CYBMUJFWSA-N 0 0 334.641 3.836 10 0 EHAERN O=C([O-])c1cc(C[NH2+]CCc2sccc2Br)cs1 ZINC000713086442 977630123 /nfs/dbraw/zinc/63/01/23/977630123.db2.gz LJCQVLWAUFWWSZ-UHFFFAOYSA-N 0 0 346.271 3.603 10 0 EHAERN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719420326 978002189 /nfs/dbraw/zinc/00/21/89/978002189.db2.gz AZIPOABREQLNHV-AWEZNQCLSA-N 0 0 346.652 3.789 10 0 EHAERN CCC[C@](C)([NH2+]Cc1ccc(C)c(Br)c1C)C(=O)[O-] ZINC000719563025 978010314 /nfs/dbraw/zinc/01/03/14/978010314.db2.gz UIUIBDHWFWDBTA-HNNXBMFYSA-N 0 0 328.250 3.799 10 0 EHAERN CCCCCC[C@H](C)NC(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000069000855 1015121742 /nfs/dbraw/zinc/12/17/42/1015121742.db2.gz WWHDCUWZFORQNM-AWEZNQCLSA-N 0 0 327.428 3.526 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H](C)C2CCOCC2)o1 ZINC000246202198 1015825306 /nfs/dbraw/zinc/82/53/06/1015825306.db2.gz DADGXBIXMQRWEP-UNEWFSDZSA-N 0 0 334.460 3.886 10 0 EHAERN CC(C)(C)c1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cs1 ZINC000407965958 1016529396 /nfs/dbraw/zinc/52/93/96/1016529396.db2.gz XMVJGTXTDZFNRC-BPLDGKMQSA-N 0 0 336.501 3.596 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2CCO[C@H]2C2CC2)o1 ZINC000408014130 1016916462 /nfs/dbraw/zinc/91/64/62/1016916462.db2.gz JDNDTCLWZRLGML-ANRZDRKOSA-N 0 0 332.444 3.638 10 0 EHAERN O=C(NC1CCN(CCC(Cl)(Cl)Cl)CC1)c1ccccc1 ZINC000184414476 1032269918 /nfs/dbraw/zinc/26/99/18/1032269918.db2.gz ITUDMJKOXVRNNS-UHFFFAOYSA-N 0 0 349.689 3.641 10 0 EHAERN CCC(CC)c1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)on1 ZINC000185330368 1032379538 /nfs/dbraw/zinc/37/95/38/1032379538.db2.gz DHVDTALSHHATPN-HNNXBMFYSA-N 0 0 330.384 3.646 10 0 EHAERN C[C@@H](CC(=O)Nc1cccc2c1OCC[C@@H]2O)Cc1cccc(F)c1 ZINC000185348440 1032383319 /nfs/dbraw/zinc/38/33/19/1032383319.db2.gz AZNMOVHGGJRJTO-ACJLOTCBSA-N 0 0 343.398 3.849 10 0 EHAERN CCC(CC)CC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185507507 1032437357 /nfs/dbraw/zinc/43/73/57/1032437357.db2.gz QRGOYTGDDGSFAR-SFHVURJKSA-N 0 0 334.435 3.562 10 0 EHAERN CCC1(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCCC1 ZINC000185529763 1032439205 /nfs/dbraw/zinc/43/92/05/1032439205.db2.gz GTAFCQDWMPEWKD-SFHVURJKSA-N 0 0 346.446 3.706 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)Nc3ccccc3F)CC2)nc1 ZINC000185545591 1032439634 /nfs/dbraw/zinc/43/96/34/1032439634.db2.gz NWSYTMZTKJATQV-UHFFFAOYSA-N 0 0 329.375 3.604 10 0 EHAERN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)[C@H]1CCCn2ccnc21 ZINC000081119835 1032494486 /nfs/dbraw/zinc/49/44/86/1032494486.db2.gz FKFUNKQJSLDMBD-HOTGVXAUSA-N 0 0 329.831 3.681 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cscc3C)C2)c1 ZINC000081642369 1032615100 /nfs/dbraw/zinc/61/51/00/1032615100.db2.gz VKUVBIFWMAORNC-ZDUSSCGKSA-N 0 0 331.437 3.703 10 0 EHAERN O=C(N[C@H]1COc2ccccc21)N1CCCC[C@H]1c1nccs1 ZINC000176285460 1017343302 /nfs/dbraw/zinc/34/33/02/1017343302.db2.gz NWIBEMUJQYTQSY-KBPBESRZSA-N 0 0 329.425 3.513 10 0 EHAERN CNc1ccc(Cl)c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000408465796 1019082828 /nfs/dbraw/zinc/08/28/28/1019082828.db2.gz HUHWKHAALPOELY-XYPHTWIQSA-N 0 0 336.863 3.537 10 0 EHAERN Cc1cccc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000141089700 1019510957 /nfs/dbraw/zinc/51/09/57/1019510957.db2.gz GKSYBKOHRZZZSD-SQGPQFPESA-N 0 0 330.472 3.701 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCCC[C@H]2O)cs1 ZINC000333525063 1019863833 /nfs/dbraw/zinc/86/38/33/1019863833.db2.gz WZGVCBWHFWYQAP-GOEBONIOSA-N 0 0 331.441 3.544 10 0 EHAERN C/C(=C/C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)C1CC1 ZINC000588392269 1020177695 /nfs/dbraw/zinc/17/76/95/1020177695.db2.gz XMNJVHMNGWWFQB-AINHQSCGSA-N 0 0 336.439 3.534 10 0 EHAERN C[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCCCCC2)[C@H]1CO ZINC000089856643 1020317421 /nfs/dbraw/zinc/31/74/21/1020317421.db2.gz CVGXTALUCIFZJF-APWZRJJASA-N 0 0 345.487 3.692 10 0 EHAERN CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(n2cncn2)CC1 ZINC000115352290 1020803883 /nfs/dbraw/zinc/80/38/83/1020803883.db2.gz XEMRZNPUXFHAHB-GOSISDBHSA-N 0 0 332.492 3.684 10 0 EHAERN C[C@@H]1CC(C(=O)N=c2[nH]c3ccccc3n2C2CCCC2)C[C@@H](C)O1 ZINC000091732838 1020837621 /nfs/dbraw/zinc/83/76/21/1020837621.db2.gz QZETXVNBQILPSQ-ZIAGYGMSSA-N 0 0 341.455 3.715 10 0 EHAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000137319951 1032944699 /nfs/dbraw/zinc/94/46/99/1032944699.db2.gz AVERINMJDXVLEL-HIFRSBDPSA-N 0 0 345.468 3.912 10 0 EHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)cc1 ZINC000588416070 1021025220 /nfs/dbraw/zinc/02/52/20/1021025220.db2.gz BRDIOKPTXVTJNX-GFBZKKKVSA-N 0 0 337.419 3.648 10 0 EHAERN Cl/C(=C\c1cn(Cc2cccnc2)nn1)c1nc2ccccc2o1 ZINC000588425358 1021526664 /nfs/dbraw/zinc/52/66/64/1021526664.db2.gz PKOXKUKMEKSSOA-ZSOIEALJSA-N 0 0 337.770 3.600 10 0 EHAERN O=C(N[C@H]1CCO[C@H](c2cccs2)C1)N1CCCc2occc2C1 ZINC000334069729 1021956218 /nfs/dbraw/zinc/95/62/18/1021956218.db2.gz GHXXSDMPOZGLOJ-HOCLYGCPSA-N 0 0 346.452 3.719 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N1CCCc2occc2C1 ZINC000334069727 1021956554 /nfs/dbraw/zinc/95/65/54/1021956554.db2.gz GHXXSDMPOZGLOJ-GDBMZVCRSA-N 0 0 346.452 3.719 10 0 EHAERN Cc1nn(C)cc1N[C@H]1CCCOc2cc(Br)ccc21 ZINC000187784198 1022256122 /nfs/dbraw/zinc/25/61/22/1022256122.db2.gz ACQPDHKNKUBYAJ-ZDUSSCGKSA-N 0 0 336.233 3.817 10 0 EHAERN Cc1cccc(CNC(=O)C(C)(C)c2cccc(Br)c2)n1 ZINC000102335363 1022319953 /nfs/dbraw/zinc/31/99/53/1022319953.db2.gz VFAHMAJOBONIKM-UHFFFAOYSA-N 0 0 347.256 3.747 10 0 EHAERN O=C(c1cc(Cl)ccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127577378 1022379236 /nfs/dbraw/zinc/37/92/36/1022379236.db2.gz FSVWKDCXMRHREG-BZNIZROVSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127748071 1022394227 /nfs/dbraw/zinc/39/42/27/1022394227.db2.gz OZWUUQNDSSVIFQ-CXAGYDPISA-N 0 0 348.493 3.639 10 0 EHAERN O=C(c1cccc(Cl)c1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127815998 1022401116 /nfs/dbraw/zinc/40/11/16/1022401116.db2.gz ACRJEZHTDLIFSB-BDJLRTHQSA-N 0 0 328.239 3.761 10 0 EHAERN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCOc3ccccc32)c2ccccc2O1 ZINC000333863026 1022428755 /nfs/dbraw/zinc/42/87/55/1022428755.db2.gz SCAWTWNWJXIFNO-KBRIMQKVSA-N 0 0 338.407 3.722 10 0 EHAERN CC(=O)Nc1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000125026851 1022601132 /nfs/dbraw/zinc/60/11/32/1022601132.db2.gz HJCKXDMHDIKAEE-UHFFFAOYSA-N 0 0 327.428 3.591 10 0 EHAERN CCc1nc(CCNC(=O)[C@]2(C)CCCc3ccccc32)cs1 ZINC000102378505 1022915870 /nfs/dbraw/zinc/91/58/70/1022915870.db2.gz QQMAXXJLPJIHPB-LJQANCHMSA-N 0 0 328.481 3.658 10 0 EHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)N[C@H]1COc2ccccc21 ZINC000127995836 1022966755 /nfs/dbraw/zinc/96/67/55/1022966755.db2.gz DNOQJIWLSWESLY-GXTWGEPZSA-N 0 0 328.334 3.540 10 0 EHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N[C@@H]1COc2ccccc21 ZINC000127995131 1022967816 /nfs/dbraw/zinc/96/78/16/1022967816.db2.gz DNOQJIWLSWESLY-OCCSQVGLSA-N 0 0 328.334 3.540 10 0 EHAERN Cc1ccc(CNC(=O)/C=C\c2ncccc2C)c(OCC2CC2)c1 ZINC000588453890 1023045975 /nfs/dbraw/zinc/04/59/75/1023045975.db2.gz IPAUDNJQYDHDRT-KTKRTIGZSA-N 0 0 336.435 3.817 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1Cl ZINC000190322934 1023191832 /nfs/dbraw/zinc/19/18/32/1023191832.db2.gz IYAQKMKOCWSNQH-GAJTVXKRSA-N 0 0 329.227 3.991 10 0 EHAERN O=C(Nc1ccc(F)cc1Cl)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000080740755 1023280481 /nfs/dbraw/zinc/28/04/81/1023280481.db2.gz BGKXNUGXRKABIR-LSDHHAIUSA-N 0 0 336.798 3.981 10 0 EHAERN Cc1ccc(CNC(=O)N[C@@H]2CCCc3c(O)cccc32)cc1F ZINC000190650978 1023300859 /nfs/dbraw/zinc/30/08/59/1023300859.db2.gz SAGZNUXSAAYGHO-QGZVFWFLSA-N 0 0 328.387 3.717 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000093282485 1024095691 /nfs/dbraw/zinc/09/56/91/1024095691.db2.gz GUELNDMDHGMEPY-WDEREUQCSA-N 0 0 332.370 3.881 10 0 EHAERN C[C@H](NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)[C@H]1CCCO1 ZINC000247051620 1024148414 /nfs/dbraw/zinc/14/84/14/1024148414.db2.gz GESVDNSKQUSNKC-ZOCIIQOWSA-N 0 0 341.455 3.972 10 0 EHAERN C[C@H]1C[C@H](C(=O)Nc2ccccc2CN2CCNC2=O)CC(C)(C)C1 ZINC000182993991 1024156944 /nfs/dbraw/zinc/15/69/44/1024156944.db2.gz CAWHQAWBTKIYJA-HOCLYGCPSA-N 0 0 343.471 3.613 10 0 EHAERN CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000191808242 1024168893 /nfs/dbraw/zinc/16/88/93/1024168893.db2.gz NVHJYAFEJSHPSZ-ZBFHGGJFSA-N 0 0 327.428 3.885 10 0 EHAERN COc1ccc(NC(=O)N[C@H]2CCCc3c(O)cccc32)c(C)c1 ZINC000192198061 1024241583 /nfs/dbraw/zinc/24/15/83/1024241583.db2.gz WVSQECUERJYOKL-KRWDZBQOSA-N 0 0 326.396 3.908 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@@H]2CCCc3c(O)cccc32)cn1 ZINC000192292532 1024246599 /nfs/dbraw/zinc/24/65/99/1024246599.db2.gz HVYMTSIVYCUPAP-OAHLLOKOSA-N 0 0 328.416 3.543 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)N[C@@H]3CCO[C@H]3C3CC3)o2)cc1C ZINC000330271752 1024381312 /nfs/dbraw/zinc/38/13/12/1024381312.db2.gz WLUNILSILUANAI-XKQJLSEDSA-N 0 0 327.428 3.572 10 0 EHAERN COc1cccc(C)c1NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000195016116 1024480316 /nfs/dbraw/zinc/48/03/16/1024480316.db2.gz ZAQSMEBUOQYHQR-OAHLLOKOSA-N 0 0 326.396 3.908 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3sccc3C)CCO2)o1 ZINC000151724166 1024498914 /nfs/dbraw/zinc/49/89/14/1024498914.db2.gz NWSCDYISNWFWOB-YCPHGPKFSA-N 0 0 331.437 3.662 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CC3)CCO2)o1 ZINC000151795336 1024648613 /nfs/dbraw/zinc/64/86/13/1024648613.db2.gz HTTSTKNRQJNJMW-GOSISDBHSA-N 0 0 325.408 3.511 10 0 EHAERN O=C1N[C@@H](CC2CC2)C(=O)N1[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330353980 1025101830 /nfs/dbraw/zinc/10/18/30/1025101830.db2.gz PBQOZUWKYHSPHC-HOTGVXAUSA-N 0 0 340.423 3.748 10 0 EHAERN C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000102901719 1025541587 /nfs/dbraw/zinc/54/15/87/1025541587.db2.gz ZASWDYVXPRFHLI-JQWIXIFHSA-N 0 0 331.243 3.875 10 0 EHAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000102901721 1025541935 /nfs/dbraw/zinc/54/19/35/1025541935.db2.gz ZASWDYVXPRFHLI-PWSUYJOCSA-N 0 0 331.243 3.875 10 0 EHAERN Cc1cnn([C@@H]2CCCN([C@H](C)c3nnc(-c4cccs4)o3)C2)c1 ZINC000329159275 1025632753 /nfs/dbraw/zinc/63/27/53/1025632753.db2.gz XMSUAMLXHNZEOL-ZIAGYGMSSA-N 0 0 343.456 3.701 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[nH]1 ZINC000329167496 1025638031 /nfs/dbraw/zinc/63/80/31/1025638031.db2.gz IOEHOQKQMQEZHW-NXOAAHMSSA-N 0 0 330.476 3.773 10 0 EHAERN O=C(NCc1cccc(OCC(F)(F)F)c1)[C@H]1C[C@H]1c1ccco1 ZINC000121742427 1025745389 /nfs/dbraw/zinc/74/53/89/1025745389.db2.gz CDTSGBSTMHNHEE-KGLIPLIRSA-N 0 0 339.313 3.641 10 0 EHAERN C[C@@H]1CCC[C@@H]1c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000329330186 1025758980 /nfs/dbraw/zinc/75/89/80/1025758980.db2.gz LNYKVDSTERLYFQ-PVAVHDDUSA-N 0 0 327.428 3.547 10 0 EHAERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cc2c(cc1F)NC(=O)CC2 ZINC000329345613 1025770153 /nfs/dbraw/zinc/77/01/53/1025770153.db2.gz QYYJBQLGHZRVGM-GJZGRUSLSA-N 0 0 344.430 3.657 10 0 EHAERN CC(C)(O)c1ccc(CNC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000588511903 1025824525 /nfs/dbraw/zinc/82/45/25/1025824525.db2.gz UBLVCVRGYIUQHX-XQRVVYSFSA-N 0 0 327.399 3.773 10 0 EHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000121845024 1025908580 /nfs/dbraw/zinc/90/85/80/1025908580.db2.gz BYAKGQHNFJDBQA-LPHOPBHVSA-N 0 0 343.515 3.625 10 0 EHAERN C[C@@H]1CC(c2noc(CN3C(=O)COc4ccccc43)n2)C[C@@H](C)C1 ZINC000329547679 1025981750 /nfs/dbraw/zinc/98/17/50/1025981750.db2.gz BAEOJRHDHMRPKG-STQMWFEESA-N 0 0 341.411 3.535 10 0 EHAERN COc1ccc(NC(=O)CCc2ccccc2C)c(OC)c1OC ZINC000103393936 1026096075 /nfs/dbraw/zinc/09/60/75/1026096075.db2.gz LKNXHPRQIKCLMW-UHFFFAOYSA-N 0 0 329.396 3.592 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000248405810 1026487456 /nfs/dbraw/zinc/48/74/56/1026487456.db2.gz AVPCFRYWQDPASA-DQEVTTJGSA-N 0 0 344.455 3.897 10 0 EHAERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000248700371 1027041328 /nfs/dbraw/zinc/04/13/28/1027041328.db2.gz ADFBHGWMMBADHD-JSHKDTHFSA-N 0 0 346.446 3.706 10 0 EHAERN O=Cc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000125807270 1027128019 /nfs/dbraw/zinc/12/80/19/1027128019.db2.gz PDWNRQILUXDEGN-UHFFFAOYSA-N 0 0 343.810 3.836 10 0 EHAERN O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)Cc1ccccc1 ZINC000046172715 1027403026 /nfs/dbraw/zinc/40/30/26/1027403026.db2.gz IEEBYCKOHGXUIU-UHFFFAOYSA-N 0 0 348.811 3.505 10 0 EHAERN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)[C@H]4CCCC[C@H]43)cn2)n1 ZINC000248417449 1027463804 /nfs/dbraw/zinc/46/38/04/1027463804.db2.gz JNMHYDGLYANRDC-MORSLUCNSA-N 0 0 338.455 3.535 10 0 EHAERN CSc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000153217433 1027591142 /nfs/dbraw/zinc/59/11/42/1027591142.db2.gz SHLUTJBCOCOWQY-INIZCTEOSA-N 0 0 332.425 3.915 10 0 EHAERN CC[C@@H](C)CS(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000131498458 1027786994 /nfs/dbraw/zinc/78/69/94/1027786994.db2.gz WGRIALVSSZOGBP-LLVKDONJSA-N 0 0 327.833 3.956 10 0 EHAERN O=C(NC/C=C\c1ccccc1)Nc1cccc(Br)n1 ZINC000588556003 1027994934 /nfs/dbraw/zinc/99/49/34/1027994934.db2.gz RAPATXCMIQOLPH-YVMONPNESA-N 0 0 332.201 3.679 10 0 EHAERN O=C(NCc1cccc(OC(F)F)c1)N[C@H]1CCOc2ccccc21 ZINC000051303903 1028017242 /nfs/dbraw/zinc/01/72/42/1028017242.db2.gz FJOCBXHYGJXIIZ-HNNXBMFYSA-N 0 0 348.349 3.611 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)cc1Cl ZINC000246232999 1028040532 /nfs/dbraw/zinc/04/05/32/1028040532.db2.gz WUGDYDLRHWLWKH-MRVWCRGKSA-N 0 0 326.223 3.681 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3c[nH]c4cccc(C)c34)CCO2)o1 ZINC000133509423 1028041478 /nfs/dbraw/zinc/04/14/78/1028041478.db2.gz RWFYNIAHOXTRKZ-GOSISDBHSA-N 0 0 338.407 3.520 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCCSC(C)(C)C)CCO2)o1 ZINC000133649203 1028051878 /nfs/dbraw/zinc/05/18/78/1028051878.db2.gz MZFKNBOGIHAEQB-OAHLLOKOSA-N 0 0 325.474 3.800 10 0 EHAERN C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1ccncc1 ZINC000052496752 1028102698 /nfs/dbraw/zinc/10/26/98/1028102698.db2.gz QBUYVOIOBKRGJH-SECBINFHSA-N 0 0 331.426 3.544 10 0 EHAERN CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000246275335 1028139944 /nfs/dbraw/zinc/13/99/44/1028139944.db2.gz ZLKCOQQMEALKAP-DFQSSKMNSA-N 0 0 349.434 3.803 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246400860 1028329532 /nfs/dbraw/zinc/32/95/32/1028329532.db2.gz PRMOCEBMGRGYLI-FGTMMUONSA-N 0 0 342.826 3.518 10 0 EHAERN COCc1ccccc1NC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000056606142 1028334758 /nfs/dbraw/zinc/33/47/58/1028334758.db2.gz FYNGFGLOYRWBGS-OAHLLOKOSA-N 0 0 339.439 3.578 10 0 EHAERN COc1ccc(C(=O)NCCc2nc(-c3ccccc3)oc2C)cc1 ZINC000062093918 1028441498 /nfs/dbraw/zinc/44/14/98/1028441498.db2.gz RJYHNSUYZABQQZ-UHFFFAOYSA-N 0 0 336.391 3.631 10 0 EHAERN Clc1cccc(-c2cnc(CN3CCCC[C@H]3c3nc[nH]n3)o2)c1 ZINC000121782951 1028464382 /nfs/dbraw/zinc/46/43/82/1028464382.db2.gz BOYIROIZRICZPO-AWEZNQCLSA-N 0 0 343.818 3.840 10 0 EHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1cccc(-n2cccn2)c1 ZINC000073204561 1028547095 /nfs/dbraw/zinc/54/70/95/1028547095.db2.gz SZLDPUVHCDQWTO-SIFCLUCFSA-N 0 0 347.418 3.614 10 0 EHAERN c1csc([C@@H](NCc2ncc(-c3ccccc3)cn2)c2ncc[nH]2)c1 ZINC000195118055 1028582951 /nfs/dbraw/zinc/58/29/51/1028582951.db2.gz OUAFYFKZFNNWEO-GOSISDBHSA-N 0 0 347.447 3.807 10 0 EHAERN Cc1cccc2c1OCC[C@H]2N[C@H](c1cccs1)c1ncc[nH]1 ZINC000195129408 1028584347 /nfs/dbraw/zinc/58/43/47/1028584347.db2.gz LNJGDTDBVOTZLM-GDBMZVCRSA-N 0 0 325.437 3.982 10 0 EHAERN CN1Cc2cc(N[C@@H](c3cccs3)c3ncc[nH]3)ccc2NC1=O ZINC000195121278 1028584869 /nfs/dbraw/zinc/58/48/69/1028584869.db2.gz GICKWKJAIKLXKL-HNNXBMFYSA-N 0 0 339.424 3.650 10 0 EHAERN O=C(N[C@H]1COc2ccccc21)N1CCCCC[C@@H]1c1ccncc1 ZINC000195196604 1028589317 /nfs/dbraw/zinc/58/93/17/1028589317.db2.gz UPTOMXPFDNNNMF-ZWKOTPCHSA-N 0 0 337.423 3.842 10 0 EHAERN CCc1cccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195355862 1028598509 /nfs/dbraw/zinc/59/85/09/1028598509.db2.gz WMSSRLFYXAIWLU-HNNXBMFYSA-N 0 0 329.469 3.524 10 0 EHAERN Cc1csc(C2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)n1 ZINC000195320891 1028629217 /nfs/dbraw/zinc/62/92/17/1028629217.db2.gz ZAKCYAZBZXFNJE-CQSZACIVSA-N 0 0 329.469 3.658 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccncc1 ZINC000246517628 1028652520 /nfs/dbraw/zinc/65/25/20/1028652520.db2.gz OHADTUILZSOQBN-NUEKZKHPSA-N 0 0 345.468 3.502 10 0 EHAERN CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247034454 1028730006 /nfs/dbraw/zinc/73/00/06/1028730006.db2.gz SGOMIDPYZFMVAK-GPMSIDNRSA-N 0 0 342.389 3.692 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(-c2ccccc2F)o1 ZINC000247322302 1028776322 /nfs/dbraw/zinc/77/63/22/1028776322.db2.gz IRSBSANCYJJVQA-IMJJTQAJSA-N 0 0 329.371 3.773 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1c[nH]cc1-c1ccc(F)cc1 ZINC000247469697 1028792172 /nfs/dbraw/zinc/79/21/72/1028792172.db2.gz QDIYRFMTWAEDDW-QGTPRVQTSA-N 0 0 328.387 3.508 10 0 EHAERN O=C(c1cccs1)N1CCC[C@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000247881397 1028819953 /nfs/dbraw/zinc/81/99/53/1028819953.db2.gz VTXOJHOUTTXGGV-AWEZNQCLSA-N 0 0 346.496 3.534 10 0 EHAERN Cc1cc(C)cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000247862243 1028822299 /nfs/dbraw/zinc/82/22/99/1028822299.db2.gz GQWOHCMSGOGROC-UHFFFAOYSA-N 0 0 342.483 3.558 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000248371424 1028870570 /nfs/dbraw/zinc/87/05/70/1028870570.db2.gz YPTLYJCJOVXNSO-IMBTUZDBSA-N 0 0 335.451 3.829 10 0 EHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CCC(O)(c3ccccc3)CC2)CC1 ZINC000248725030 1028942600 /nfs/dbraw/zinc/94/26/00/1028942600.db2.gz MXOXKTGEHWEGJE-IYARVYRRSA-N 0 0 329.484 3.959 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@H]2CCC[C@H]2C)c2ccc(F)cc2C1 ZINC000249054362 1028981833 /nfs/dbraw/zinc/98/18/33/1028981833.db2.gz XGVRFASMMMBZQG-MUKKUYKPSA-N 0 0 346.446 3.562 10 0 EHAERN COC(=O)[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C ZINC000249157242 1028993959 /nfs/dbraw/zinc/99/39/59/1028993959.db2.gz YZHRVJQSMJSRTG-IUODEOHRSA-N 0 0 348.830 3.626 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000249048736 1029131169 /nfs/dbraw/zinc/13/11/69/1029131169.db2.gz FRKGJEGUYLGUDZ-KFWWJZLASA-N 0 0 333.480 3.504 10 0 EHAERN COCc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000078185674 1029223062 /nfs/dbraw/zinc/22/30/62/1029223062.db2.gz YRVQUMLHYVYIRD-KXBFYZLASA-N 0 0 339.435 3.860 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC[C@@H]3CCCCO3)C2)cc1 ZINC000078187904 1029240059 /nfs/dbraw/zinc/24/00/59/1029240059.db2.gz CKLYUBNFRUKHQO-SUMDDJOVSA-N 0 0 331.456 3.749 10 0 EHAERN COCc1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000078186155 1029240479 /nfs/dbraw/zinc/24/04/79/1029240479.db2.gz PKVAWOWKZOSHPJ-KXBFYZLASA-N 0 0 339.435 3.860 10 0 EHAERN COCCOc1ccc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000245759765 1029255723 /nfs/dbraw/zinc/25/57/23/1029255723.db2.gz PJYVJQUBWASUAW-KXBFYZLASA-N 0 0 347.480 3.735 10 0 EHAERN C[C@@]1(C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1(Cl)Cl ZINC000078349612 1029275690 /nfs/dbraw/zinc/27/56/90/1029275690.db2.gz NKBZTURUSRAZSH-HOCLYGCPSA-N 0 0 335.234 3.871 10 0 EHAERN CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000245781713 1029290287 /nfs/dbraw/zinc/29/02/87/1029290287.db2.gz ULXMKOLNMROKKB-ACJLOTCBSA-N 0 0 330.453 3.669 10 0 EHAERN Cc1ccc2cccc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)c2n1 ZINC000245785553 1029294198 /nfs/dbraw/zinc/29/41/98/1029294198.db2.gz IAOCLMFSKCNXBH-ZTFGCOKTSA-N 0 0 337.423 3.622 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3cccc(Cl)c3F)CC2)n1 ZINC000155238087 1029481944 /nfs/dbraw/zinc/48/19/44/1029481944.db2.gz RMVCRBFLUDUGSA-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN C[C@H](c1cccnc1)N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155514695 1029575370 /nfs/dbraw/zinc/57/53/70/1029575370.db2.gz YWMVUHKRNUVXNW-CQSZACIVSA-N 0 0 344.484 3.515 10 0 EHAERN COc1ccc(C)cc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114805190 1029830022 /nfs/dbraw/zinc/83/00/22/1029830022.db2.gz NCHLHOZALCISGR-CYBMUJFWSA-N 0 0 331.441 3.872 10 0 EHAERN COc1ccc(C)cc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114805188 1029830055 /nfs/dbraw/zinc/83/00/55/1029830055.db2.gz NCHLHOZALCISGR-ZDUSSCGKSA-N 0 0 331.441 3.872 10 0 EHAERN CC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089763444 1029986199 /nfs/dbraw/zinc/98/61/99/1029986199.db2.gz ICVURLJSHWJXEN-MRXNPFEDSA-N 0 0 343.810 3.836 10 0 EHAERN C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000245655686 1030206717 /nfs/dbraw/zinc/20/67/17/1030206717.db2.gz CMHVTELXTHTILH-HDMKZQKVSA-N 0 0 332.488 3.895 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000091031974 1030210547 /nfs/dbraw/zinc/21/05/47/1030210547.db2.gz OKQIFQWSUIKDLL-NRFANRHFSA-N 0 0 346.430 3.907 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3ccccc3C)CCO2)o1 ZINC000157275058 1030400309 /nfs/dbraw/zinc/40/03/09/1030400309.db2.gz NSUMQAOUKNAHDW-QAPCUYQASA-N 0 0 328.412 3.741 10 0 EHAERN CCCC(=CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)CCC ZINC000092394386 1030445154 /nfs/dbraw/zinc/44/51/54/1030445154.db2.gz RLFZESHAGPTTMK-GOSISDBHSA-N 0 0 326.444 3.845 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2cccc(C(F)F)c2)c2ccccc2)[nH]1 ZINC000171503902 1030786213 /nfs/dbraw/zinc/78/62/13/1030786213.db2.gz VRPWDJDOGFEDCR-HNNXBMFYSA-N 0 0 342.349 3.570 10 0 EHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171613466 1030799710 /nfs/dbraw/zinc/79/97/10/1030799710.db2.gz CASPINBGGKMZKV-UHFFFAOYSA-N 0 0 346.377 3.778 10 0 EHAERN O=C(c1cc(-c2ccccc2)no1)N1CCC(Cc2ccccn2)CC1 ZINC000171614031 1030800900 /nfs/dbraw/zinc/80/09/00/1030800900.db2.gz UTLQBYUATONBNE-UHFFFAOYSA-N 0 0 347.418 3.832 10 0 EHAERN O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000171721712 1030812468 /nfs/dbraw/zinc/81/24/68/1030812468.db2.gz VCSHVUOSWZTYJS-LLVKDONJSA-N 0 0 344.465 3.615 10 0 EHAERN CC(=O)c1cccc(NC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171807887 1030821308 /nfs/dbraw/zinc/82/13/08/1030821308.db2.gz BJRKNZOKYJNBMF-UHFFFAOYSA-N 0 0 337.423 3.771 10 0 EHAERN Cc1ccc(-c2noc(C[C@@H]3Sc4ccccc4NC3=O)n2)cc1 ZINC000172056357 1030825709 /nfs/dbraw/zinc/82/57/09/1030825709.db2.gz JFCLRTSMWFYILC-HNNXBMFYSA-N 0 0 337.404 3.701 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000172041878 1030865423 /nfs/dbraw/zinc/86/54/23/1030865423.db2.gz HKQZAAVXUSBKES-JDNHERCYSA-N 0 0 331.755 3.572 10 0 EHAERN Cc1c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cnn1-c1cccc(C)c1 ZINC000329490609 1030915098 /nfs/dbraw/zinc/91/50/98/1030915098.db2.gz HYYUVCSSDAOFBY-LJQANCHMSA-N 0 0 349.438 3.580 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172440949 1030947907 /nfs/dbraw/zinc/94/79/07/1030947907.db2.gz YDFCYNMVYMEPMZ-HIFRSBDPSA-N 0 0 337.206 3.773 10 0 EHAERN CCSc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172496981 1030965350 /nfs/dbraw/zinc/96/53/50/1030965350.db2.gz DWHMKEDQDADWQC-IRXDYDNUSA-N 0 0 328.437 3.578 10 0 EHAERN CC(C)(C)Oc1ccncc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000158053338 1031046492 /nfs/dbraw/zinc/04/64/92/1031046492.db2.gz DQGZOCPNHNQXMS-PBWFPOADSA-N 0 0 330.428 3.593 10 0 EHAERN COCCN(Cc1ncc(-c2ccccc2Cl)o1)CC(F)F ZINC000173661461 1031126733 /nfs/dbraw/zinc/12/67/33/1031126733.db2.gz JFKFHFKZGABDMT-UHFFFAOYSA-N 0 0 330.762 3.709 10 0 EHAERN C[C@@H](CCc1cccn1C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000173844288 1031147877 /nfs/dbraw/zinc/14/78/77/1031147877.db2.gz VCYLOTSMOGVXDI-HNNXBMFYSA-N 0 0 343.496 3.907 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)c3c[nH]nc3-c3ccccc3)c2)no1 ZINC000173832034 1031148187 /nfs/dbraw/zinc/14/81/87/1031148187.db2.gz XBSWHCXWHHGJMI-UHFFFAOYSA-N 0 0 345.362 3.687 10 0 EHAERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CCC(O)CC2)o1 ZINC000174044546 1031158789 /nfs/dbraw/zinc/15/87/89/1031158789.db2.gz HFFQJEJVRWUSPB-GIOUXUJVSA-N 0 0 334.460 3.628 10 0 EHAERN C[C@@]1(C(=O)N2CCC(Nc3ccccc3F)CC2)CC1(Cl)Cl ZINC000174078643 1031163571 /nfs/dbraw/zinc/16/35/71/1031163571.db2.gz DLPMMDBBXALRGP-HNNXBMFYSA-N 0 0 345.245 3.813 10 0 EHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC2(C1)CCCCC2 ZINC000174241635 1031183156 /nfs/dbraw/zinc/18/31/56/1031183156.db2.gz NKOFPSWCTWRZKW-MRXNPFEDSA-N 0 0 344.480 3.672 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(C)c(F)c3)CC2)nc1 ZINC000174417284 1031216599 /nfs/dbraw/zinc/21/65/99/1031216599.db2.gz WXOJAXNSIQMRMG-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000174474889 1031220233 /nfs/dbraw/zinc/22/02/33/1031220233.db2.gz UAUMOIKHSOSRAD-UHFFFAOYSA-N 0 0 346.346 3.952 10 0 EHAERN CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000174918612 1031257515 /nfs/dbraw/zinc/25/75/15/1031257515.db2.gz ZVZBOBGFACZIRO-MSOLQXFVSA-N 0 0 339.439 3.523 10 0 EHAERN CC(C)(C)c1ncsc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000176713923 1031450166 /nfs/dbraw/zinc/45/01/66/1031450166.db2.gz ADDGDAJKJVIQKN-UHFFFAOYSA-N 0 0 328.397 3.743 10 0 EHAERN C[C@H]1CCC[C@H](N(C)C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000176625604 1031468101 /nfs/dbraw/zinc/46/81/01/1031468101.db2.gz HKQWRKBZPJEASJ-HOCLYGCPSA-N 0 0 335.517 3.937 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc4[nH]ccc4c3)CC2)n1 ZINC000117004881 1031539291 /nfs/dbraw/zinc/53/92/91/1031539291.db2.gz DKQSGJIUGBIHDP-UHFFFAOYSA-N 0 0 349.438 3.662 10 0 EHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ncncc1Cl ZINC000178069776 1031616815 /nfs/dbraw/zinc/61/68/15/1031616815.db2.gz SZWSMAJRNNOLHR-AWEZNQCLSA-N 0 0 343.814 3.696 10 0 EHAERN CCOc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1OC ZINC000117577909 1031756167 /nfs/dbraw/zinc/75/61/67/1031756167.db2.gz YRWAQPHEFVIZGX-KZULUSFZSA-N 0 0 327.380 3.597 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117576527 1031756563 /nfs/dbraw/zinc/75/65/63/1031756563.db2.gz SMOJFTFUVHTFMI-QFYYESIMSA-N 0 0 345.782 3.630 10 0 EHAERN Clc1cc(N2CCC(Cc3ccccn3)CC2)nc(C2CC2)n1 ZINC000179306221 1031765563 /nfs/dbraw/zinc/76/55/63/1031765563.db2.gz GCEPBNREYYLSGB-UHFFFAOYSA-N 0 0 328.847 3.862 10 0 EHAERN O=C(C1CCN(Cc2csc(C3CC3)n2)CC1)N1CCCCCC1 ZINC000179459826 1031775880 /nfs/dbraw/zinc/77/58/80/1031775880.db2.gz HLVDZHXWSLBONC-UHFFFAOYSA-N 0 0 347.528 3.635 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000117623264 1031782063 /nfs/dbraw/zinc/78/20/63/1031782063.db2.gz RFZHGBKBVDUFCK-KPZWWZAWSA-N 0 0 337.354 3.515 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117653739 1031787432 /nfs/dbraw/zinc/78/74/32/1031787432.db2.gz VEKYBFQYIDRXCM-DJJJIMSYSA-N 0 0 341.407 3.986 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000117674946 1031794259 /nfs/dbraw/zinc/79/42/59/1031794259.db2.gz LRUGLDWIVROALR-IUODEOHRSA-N 0 0 328.437 3.593 10 0 EHAERN O=C1CCCc2cc(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)ccc2N1 ZINC000179810636 1031812719 /nfs/dbraw/zinc/81/27/19/1031812719.db2.gz UIEWQJYEHBRAKZ-IPELMVKDSA-N 0 0 326.440 3.721 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000117745345 1031845673 /nfs/dbraw/zinc/84/56/73/1031845673.db2.gz VCVDIGZBSZICQH-KZULUSFZSA-N 0 0 338.432 3.819 10 0 EHAERN CCn1c(CN2CCO[C@@H](c3ccc(C)o3)C2)nc2cc(F)ccc21 ZINC000159062815 1031848167 /nfs/dbraw/zinc/84/81/67/1031848167.db2.gz GIZCIYPNLITCRR-GOSISDBHSA-N 0 0 343.402 3.670 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1 ZINC000180859850 1031915611 /nfs/dbraw/zinc/91/56/11/1031915611.db2.gz KJTYXXHTGRPMJJ-UHFFFAOYSA-N 0 0 330.815 3.727 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(Br)c(C)c1 ZINC000180934038 1031923385 /nfs/dbraw/zinc/92/33/85/1031923385.db2.gz FHSYFQMPYJDFOY-XHDPSFHLSA-N 0 0 349.276 3.843 10 0 EHAERN CCS[C@@H](C(=O)N1CCC(Oc2ccc(C)cn2)CC1)C(C)C ZINC000181201105 1031955994 /nfs/dbraw/zinc/95/59/94/1031955994.db2.gz FZKVBGVQSIUXTP-QGZVFWFLSA-N 0 0 336.501 3.538 10 0 EHAERN O=S(=O)(Cc1ccc(F)cc1)N1CC=C(c2cccs2)CC1 ZINC000117932254 1031980091 /nfs/dbraw/zinc/98/00/91/1031980091.db2.gz UBOQEUMYOQCHLM-UHFFFAOYSA-N 0 0 337.441 3.506 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCc3ccc4[nH]ccc4c3)CCO2)o1 ZINC000181519226 1031999464 /nfs/dbraw/zinc/99/94/64/1031999464.db2.gz AQZIHWAXCUIRMU-LJQANCHMSA-N 0 0 338.407 3.602 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@H](C)c3cccs3)CC2)nc1 ZINC000181570952 1032005064 /nfs/dbraw/zinc/00/50/64/1032005064.db2.gz VJGXVDZHSPRJIX-CQSZACIVSA-N 0 0 330.453 3.625 10 0 EHAERN CCO[C@@H]1C[C@H](N[C@H](c2nnc(C)[nH]2)c2ccccc2)C12CCCC2 ZINC000181672087 1032017604 /nfs/dbraw/zinc/01/76/04/1032017604.db2.gz JYLOHQKLLKVWOK-KSZLIROESA-N 0 0 340.471 3.530 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@@H]1c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000329738337 1032037201 /nfs/dbraw/zinc/03/72/01/1032037201.db2.gz UFWFQQMLUDFJDD-DSRCVFDASA-N 0 0 345.830 3.530 10 0 EHAERN CC(C)(C)NC(=O)CSCc1cc(Br)ccc1F ZINC000105635216 1033501018 /nfs/dbraw/zinc/50/10/18/1033501018.db2.gz CXTQMCZSPISYJF-UHFFFAOYSA-N 0 0 334.254 3.736 10 0 EHAERN Cn1c(Cl)c(Cl)cc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525415 1033740014 /nfs/dbraw/zinc/74/00/14/1033740014.db2.gz IWTQNESOVKECNB-UHFFFAOYSA-N 0 0 337.166 3.634 10 0 EHAERN COc1cccc(OC)c1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000120894388 1034203623 /nfs/dbraw/zinc/20/36/23/1034203623.db2.gz RVUUSVNMYHGOHP-UHFFFAOYSA-N 0 0 343.448 3.624 10 0 EHAERN CCOc1ccc2c(c1)[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)CCO2 ZINC000185622430 1035504446 /nfs/dbraw/zinc/50/44/46/1035504446.db2.gz KGVKVJQSVYBPQW-IUODEOHRSA-N 0 0 344.238 3.609 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2cccc(O)c2)cc1 ZINC000185693688 1035514285 /nfs/dbraw/zinc/51/42/85/1035514285.db2.gz UOJKFKYOBLSKKJ-GOSISDBHSA-N 0 0 343.448 3.857 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000186237931 1035608889 /nfs/dbraw/zinc/60/88/89/1035608889.db2.gz GFGZQGCEECNHRH-SFHVURJKSA-N 0 0 325.408 3.656 10 0 EHAERN CCC[C@H]1CCCCN1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000186427949 1035632621 /nfs/dbraw/zinc/63/26/21/1035632621.db2.gz UDDGLKGPDWAHQR-GJZGRUSLSA-N 0 0 333.480 3.601 10 0 EHAERN Cc1cc(Cl)c(C(=O)N2CCCN(c3ccccn3)CC2)cc1C ZINC000186376301 1035647818 /nfs/dbraw/zinc/64/78/18/1035647818.db2.gz LDYORTVORUPBTL-UHFFFAOYSA-N 0 0 343.858 3.704 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3scnc3C)C2)cc1 ZINC000186533188 1035654403 /nfs/dbraw/zinc/65/44/03/1035654403.db2.gz NLSOIHJAKZBCQE-FTJFNGAWSA-N 0 0 342.464 3.878 10 0 EHAERN CCO[C@H]1C[C@@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186550823 1035656923 /nfs/dbraw/zinc/65/69/23/1035656923.db2.gz GXPZTLWFQZGKGD-SJORKVTESA-N 0 0 329.444 3.814 10 0 EHAERN COc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1F ZINC000186555866 1035657922 /nfs/dbraw/zinc/65/79/22/1035657922.db2.gz SATRMVGWFGXWSI-NSHDSACASA-N 0 0 329.375 3.985 10 0 EHAERN O=C(CCN1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)cc1F ZINC000186630018 1035675475 /nfs/dbraw/zinc/67/54/75/1035675475.db2.gz UKWHBESBLPFESA-LJQANCHMSA-N 0 0 349.352 3.750 10 0 EHAERN O=C(NCCOc1ccccc1)N(Cc1ccco1)C1CCCC1 ZINC000105078946 1035683619 /nfs/dbraw/zinc/68/36/19/1035683619.db2.gz LPQQDRMTQHYCEN-UHFFFAOYSA-N 0 0 328.412 3.813 10 0 EHAERN C[C@@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1ccncc1 ZINC000187199882 1035783931 /nfs/dbraw/zinc/78/39/31/1035783931.db2.gz RCWQRBMOKDXYOT-GFCCVEGCSA-N 0 0 332.363 3.709 10 0 EHAERN O=C(Nc1cnccc1-c1cccc(F)c1)c1ccc2c(c1)NC(=O)C2 ZINC000188768112 1035980114 /nfs/dbraw/zinc/98/01/14/1035980114.db2.gz NYISWNZRLQMVSK-UHFFFAOYSA-N 0 0 347.349 3.635 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000332716729 1036002932 /nfs/dbraw/zinc/00/29/32/1036002932.db2.gz SEDQHUDTUDEXRF-FUHWJXTLSA-N 0 0 338.455 3.800 10 0 EHAERN COCc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189813437 1036149099 /nfs/dbraw/zinc/14/90/99/1036149099.db2.gz PCWUOHOHPCWGIM-UHFFFAOYSA-N 0 0 337.419 3.542 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1nc(Cl)ccc1Cl ZINC000189951503 1036168292 /nfs/dbraw/zinc/16/82/92/1036168292.db2.gz LBRQWCYXLMDYBQ-LBPRGKRZSA-N 0 0 337.206 3.950 10 0 EHAERN C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190264027 1036214228 /nfs/dbraw/zinc/21/42/28/1036214228.db2.gz ABQMGQQKGICAKA-ZIAGYGMSSA-N 0 0 346.377 3.533 10 0 EHAERN O=C(CCCc1ccccc1)N1CCC(Nc2nccs2)CC1 ZINC000190405075 1036235386 /nfs/dbraw/zinc/23/53/86/1036235386.db2.gz CPEZXMYIPZYRIX-UHFFFAOYSA-N 0 0 329.469 3.569 10 0 EHAERN COc1ccc(SCC(=O)N[C@H]2CCOc3c(C)cccc32)cc1 ZINC000190617319 1036268669 /nfs/dbraw/zinc/26/86/69/1036268669.db2.gz OVOHGGVUIREMQI-KRWDZBQOSA-N 0 0 343.448 3.736 10 0 EHAERN CCc1nc([C@@H](C)NC(=O)N[C@H]2CCOc3c(C)cccc32)cs1 ZINC000190651683 1036269442 /nfs/dbraw/zinc/26/94/42/1036269442.db2.gz WNPJPXKSZPOSMZ-OCCSQVGLSA-N 0 0 345.468 3.898 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000190657499 1036269836 /nfs/dbraw/zinc/26/98/36/1036269836.db2.gz WQZVDLKMIWSWAJ-VFADXPBXSA-N 0 0 328.799 3.697 10 0 EHAERN O=C(Nc1ccc(F)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000191139489 1036342555 /nfs/dbraw/zinc/34/25/55/1036342555.db2.gz ZQATVOREAMEOEG-UHFFFAOYSA-N 0 0 326.371 3.926 10 0 EHAERN COc1ccc([C@H](C)NC(=O)[C@H]2CCOc3ccccc32)cc1F ZINC000102849178 1036779691 /nfs/dbraw/zinc/77/96/91/1036779691.db2.gz IKKHCTOPJXGDAT-WFASDCNBSA-N 0 0 329.371 3.578 10 0 EHAERN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC1(C)C ZINC000103085826 1036835609 /nfs/dbraw/zinc/83/56/09/1036835609.db2.gz FBFQPNLLQUWCOF-UHFFFAOYSA-N 0 0 327.428 3.676 10 0 EHAERN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000132394279 1036848691 /nfs/dbraw/zinc/84/86/91/1036848691.db2.gz SJXXEWPCEBYYNG-IAGOWNOFSA-N 0 0 345.830 3.514 10 0 EHAERN CCCC[C@H](NC(=O)NCc1cscn1)c1ccc(OC)cc1 ZINC000103181377 1036851293 /nfs/dbraw/zinc/85/12/93/1036851293.db2.gz KISPTVBCTGLXJY-INIZCTEOSA-N 0 0 333.457 3.882 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccccc1N(C)C ZINC000104992327 1037123211 /nfs/dbraw/zinc/12/32/11/1037123211.db2.gz WGPYPAYJDJBCEV-UHFFFAOYSA-N 0 0 326.444 3.634 10 0 EHAERN COc1ccc(OC(F)F)c(NCc2nc(-c3ccoc3)no2)c1 ZINC000105606752 1037201067 /nfs/dbraw/zinc/20/10/67/1037201067.db2.gz JVZUEDNMKUDUMA-UHFFFAOYSA-N 0 0 337.282 3.552 10 0 EHAERN CCOc1ccc(OCC)c(NCc2nc(-c3ccoc3)no2)c1 ZINC000105606339 1037219801 /nfs/dbraw/zinc/21/98/01/1037219801.db2.gz JZSOUZRTYQBUNU-UHFFFAOYSA-N 0 0 329.356 3.739 10 0 EHAERN O=[S@@](Cc1nc(-c2ccoc2)no1)Cc1c(F)cccc1Cl ZINC000105662438 1037235400 /nfs/dbraw/zinc/23/54/00/1037235400.db2.gz MZXXLLHPEYLSPK-QFIPXVFZSA-N 0 0 340.763 3.571 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(F)c(F)cc1Cl ZINC000104456304 1037294212 /nfs/dbraw/zinc/29/42/12/1037294212.db2.gz YNLOWGPNPDQGHJ-UHFFFAOYSA-N 0 0 339.769 3.942 10 0 EHAERN COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000104710022 1037350224 /nfs/dbraw/zinc/35/02/24/1037350224.db2.gz MPIHJVLZMRMCLH-QGZVFWFLSA-N 0 0 340.467 3.814 10 0 EHAERN CS[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218978 1037779146 /nfs/dbraw/zinc/77/91/46/1037779146.db2.gz LAMUIZWDAOPITO-HIFRSBDPSA-N 0 0 329.469 3.534 10 0 EHAERN Clc1cc(CN2CCCC[C@@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114484403 1037800143 /nfs/dbraw/zinc/80/01/43/1037800143.db2.gz GIVPUMRBWGMWDC-MRXNPFEDSA-N 0 0 333.819 3.657 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000247083761 1037826344 /nfs/dbraw/zinc/82/63/44/1037826344.db2.gz WUYLTZWYUHEQGO-MGPQQGTHSA-N 0 0 348.409 3.899 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000116669616 1037840804 /nfs/dbraw/zinc/84/08/04/1037840804.db2.gz NKCPJDPDUMNIJH-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN CC[C@H](C(=O)NC1CCN(c2cccc(C)n2)CC1)c1ccccc1 ZINC000116670692 1037841672 /nfs/dbraw/zinc/84/16/72/1037841672.db2.gz OQPCNTCZWHJURJ-IBGZPJMESA-N 0 0 337.467 3.669 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1Br ZINC000117560602 1037854783 /nfs/dbraw/zinc/85/47/83/1037854783.db2.gz ATIUEDSRXXQIED-BONVTDFDSA-N 0 0 332.197 3.952 10 0 EHAERN CC[C@@]1(C)CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000119076533 1037881471 /nfs/dbraw/zinc/88/14/71/1037881471.db2.gz XZJBQPKVSCGXGP-ZBEGNZNMSA-N 0 0 343.393 3.572 10 0 EHAERN COC[C@H]1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000332705752 1037951099 /nfs/dbraw/zinc/95/10/99/1037951099.db2.gz ZKBQVGDDQUBXRF-DOTOQJQBSA-N 0 0 344.455 3.501 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000332762246 1037953390 /nfs/dbraw/zinc/95/33/90/1037953390.db2.gz AFTHFSRVUZRNCM-UIBIWLFHSA-N 0 0 333.476 3.627 10 0 EHAERN CC[C@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccc(F)cc1 ZINC000123883031 1038094980 /nfs/dbraw/zinc/09/49/80/1038094980.db2.gz RADYRSDKQWJBLU-FUHWJXTLSA-N 0 0 331.387 3.821 10 0 EHAERN CN(C)C(=O)c1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000043486742 1038322781 /nfs/dbraw/zinc/32/27/81/1038322781.db2.gz ZCRLDHSCXUOALZ-UHFFFAOYSA-N 0 0 349.434 3.710 10 0 EHAERN CCCO[C@H]1CCCN(C(=O)Nc2cccc(C(=O)OCC)c2)CC1 ZINC000108503306 1039095066 /nfs/dbraw/zinc/09/50/66/1039095066.db2.gz VNFFJVCLBQIFCN-KRWDZBQOSA-N 0 0 348.443 3.676 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2Cc2nc(C3CCCC3)no2)no1 ZINC000151730572 1039150205 /nfs/dbraw/zinc/15/02/05/1039150205.db2.gz HIBNBNDXVGGWDS-CYBMUJFWSA-N 0 0 331.420 3.571 10 0 EHAERN CC(C)[C@@H](NC(=O)N1CC[C@@H](C)C[C@H](C)C1)c1nc(C2CC2)no1 ZINC000125320638 1039172186 /nfs/dbraw/zinc/17/21/86/1039172186.db2.gz XWSUBXHAWJVXJI-VNHYZAJKSA-N 0 0 334.464 3.722 10 0 EHAERN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000109053529 1039622065 /nfs/dbraw/zinc/62/20/65/1039622065.db2.gz XRKMHYKULPTIRZ-ZDUSSCGKSA-N 0 0 348.443 3.846 10 0 EHAERN Cc1ccc2c(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)coc2c1C ZINC000151079855 1039726346 /nfs/dbraw/zinc/72/63/46/1039726346.db2.gz VXBDHMOMPBTCBF-DYESRHJHSA-N 0 0 341.451 3.746 10 0 EHAERN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151214913 1039894045 /nfs/dbraw/zinc/89/40/45/1039894045.db2.gz ZMRSMZAVDRMPTA-YWZLYKJASA-N 0 0 343.398 3.853 10 0 EHAERN CC(C)[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000408089930 1040008822 /nfs/dbraw/zinc/00/88/22/1040008822.db2.gz KVBGXOGHZNKTHK-JQHSSLGASA-N 0 0 334.435 3.706 10 0 EHAERN CC(C)[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 ZINC000408089933 1040027110 /nfs/dbraw/zinc/02/71/10/1040027110.db2.gz KVBGXOGHZNKTHK-SZMVWBNQSA-N 0 0 334.435 3.706 10 0 EHAERN Cc1ccccc1C(C)(C)CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119397302 1040074982 /nfs/dbraw/zinc/07/49/82/1040074982.db2.gz QLMHANCHUQCUIL-LAUBAEHRSA-N 0 0 344.499 3.609 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)o1 ZINC000332744041 1040097704 /nfs/dbraw/zinc/09/77/04/1040097704.db2.gz VJMYFIWIOXUVEP-NEPJUHHUSA-N 0 0 345.365 3.808 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)o1 ZINC000332843502 1040147172 /nfs/dbraw/zinc/14/71/72/1040147172.db2.gz PEDJICGNKAMPST-TZMCWYRMSA-N 0 0 348.472 3.707 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)NCC[C@H]2c3ccccc3NC2=O)CC(C)(C)C1 ZINC000245696556 1040369472 /nfs/dbraw/zinc/36/94/72/1040369472.db2.gz LDSZZWZSGKDTDD-FMKPAKJESA-N 0 0 328.456 3.691 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000245738081 1040496878 /nfs/dbraw/zinc/49/68/78/1040496878.db2.gz BNNVQWOPQVNWAY-ATLSCFEFSA-N 0 0 344.455 3.782 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000408443069 1040770326 /nfs/dbraw/zinc/77/03/26/1040770326.db2.gz NWKFJVMNYHGWMK-UHFFFAOYSA-N 0 0 333.457 3.775 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000248964110 1040883078 /nfs/dbraw/zinc/88/30/78/1040883078.db2.gz NKGRPECXORTWIZ-MLYOOKFZSA-N 0 0 341.455 3.650 10 0 EHAERN C[C@H](NC(=O)NC1CCC2(CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000333069267 1041202710 /nfs/dbraw/zinc/20/27/10/1041202710.db2.gz UQSKGJBOJRRAKI-ZDUSSCGKSA-N 0 0 330.428 3.541 10 0 EHAERN C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000247198507 1041467832 /nfs/dbraw/zinc/46/78/32/1041467832.db2.gz ZVLGBYGERRMYJC-ZLIFDBKOSA-N 0 0 326.440 3.575 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000128537029 1041519732 /nfs/dbraw/zinc/51/97/32/1041519732.db2.gz PXIFQIQHSZDGDJ-ZFWWWQNUSA-N 0 0 339.439 3.519 10 0 EHAERN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N[C@H]1CCCC[C@H]1O ZINC000408154995 1041882697 /nfs/dbraw/zinc/88/26/97/1041882697.db2.gz OEHQPUGQNYESSH-HZSPNIEDSA-N 0 0 343.254 3.583 10 0 EHAERN CCO[C@H]1C[C@@H](Nc2ncnc3sc(CC)cc32)C12CCOCC2 ZINC000302244250 1041934451 /nfs/dbraw/zinc/93/44/51/1041934451.db2.gz JYLZWZFVFUIDRR-CABCVRRESA-N 0 0 347.484 3.640 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000408209204 1042575275 /nfs/dbraw/zinc/57/52/75/1042575275.db2.gz ZCMJMGWQIXRWME-DOTOQJQBSA-N 0 0 341.455 3.804 10 0 EHAERN CC[C@H](N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000162515699 1042736025 /nfs/dbraw/zinc/73/60/25/1042736025.db2.gz XHFLWGBOACZDOR-ICSRJNTNSA-N 0 0 348.450 3.878 10 0 EHAERN CC(C)C(=O)N1CCC(c2nc(C3C[C@@H](C)C[C@H](C)C3)no2)CC1 ZINC000408225744 1042762453 /nfs/dbraw/zinc/76/24/53/1042762453.db2.gz KMRAHTPWHMMNGP-KBPBESRZSA-N 0 0 333.476 3.971 10 0 EHAERN CN(CC1(O)CCCCCC1)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000408256112 1042871268 /nfs/dbraw/zinc/87/12/68/1042871268.db2.gz LNRNKEMBFOLKNJ-UHFFFAOYSA-N 0 0 346.258 3.937 10 0 EHAERN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H]2CCC[C@H]21 ZINC000330321836 1042899846 /nfs/dbraw/zinc/89/98/46/1042899846.db2.gz SGCSEKDNKKVVKX-IUODEOHRSA-N 0 0 345.830 3.724 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1ccc3[nH]ccc3c1)CCCC2 ZINC000279152257 1043463855 /nfs/dbraw/zinc/46/38/55/1043463855.db2.gz HLXXCHIREXTBJJ-IBGZPJMESA-N 0 0 348.450 3.758 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000247548537 1043797255 /nfs/dbraw/zinc/79/72/55/1043797255.db2.gz QRJVWKCYMOYJJR-ZMYBRWDISA-N 0 0 338.455 3.600 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000162873790 1043821519 /nfs/dbraw/zinc/82/15/19/1043821519.db2.gz ODYRMEGILRPLBI-KBPBESRZSA-N 0 0 341.317 3.757 10 0 EHAERN O=C(CCC1CCCCC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306941 1044599158 /nfs/dbraw/zinc/59/91/58/1044599158.db2.gz DPRUMOWMRRUKAR-UHFFFAOYSA-N 0 0 348.512 3.783 10 0 EHAERN Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000267044580 1127204037 /nfs/dbraw/zinc/20/40/37/1127204037.db2.gz MZEYEGVGOBZAPK-CYBMUJFWSA-N 0 0 340.445 3.507 10 0 EHAERN CCOCCOC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000103330994 1132825952 /nfs/dbraw/zinc/82/59/52/1132825952.db2.gz CVJBATVEFNYCCP-KGLIPLIRSA-N 0 0 331.437 3.926 10 0 EHAERN CC(=O)CCCOC(=O)C(C)(C)c1cccc(Br)c1 ZINC000102508389 1135578751 /nfs/dbraw/zinc/57/87/51/1135578751.db2.gz QEHGBWYUEXUHKQ-UHFFFAOYSA-N 0 0 327.218 3.639 10 0 EHAERN CC[C@H](OC(=O)CCn1cccn1)c1cccc(Br)c1 ZINC000102710879 1135628782 /nfs/dbraw/zinc/62/87/82/1135628782.db2.gz JQVZEPNAKGWTIJ-AWEZNQCLSA-N 0 0 337.217 3.730 10 0 EHAERN CCc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)n[nH]1 ZINC000102784990 1135647246 /nfs/dbraw/zinc/64/72/46/1135647246.db2.gz PYUHKRXPQLDFBW-UHFFFAOYSA-N 0 0 343.390 3.835 10 0 EHAERN Fc1cc(NCc2nc(-c3ccoc3)no2)ccc1OC(F)F ZINC000105606856 1135957558 /nfs/dbraw/zinc/95/75/58/1135957558.db2.gz GQDZDESKUZKWLU-UHFFFAOYSA-N 0 0 325.246 3.682 10 0 EHAERN CC[C@H](COC(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 ZINC000105774678 1135976257 /nfs/dbraw/zinc/97/62/57/1135976257.db2.gz KKRJXQLHYRTPOT-CQSZACIVSA-N 0 0 331.437 3.735 10 0 EHAERN O=C(CSCc1ccc(Cl)cc1Cl)OC[C@@H]1CCOC1 ZINC000103657404 1137465262 /nfs/dbraw/zinc/46/52/62/1137465262.db2.gz CQVQXSMIGLPMED-SNVBAGLBSA-N 0 0 335.252 3.806 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccnn3C(C)C)c21 ZINC000103176033 1137875391 /nfs/dbraw/zinc/87/53/91/1137875391.db2.gz SZGZQUOBZNSHCC-UHFFFAOYSA-N 0 0 325.416 3.618 10 0 EHAERN CC[C@H](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C(C)C ZINC000104257278 1137878018 /nfs/dbraw/zinc/87/80/18/1137878018.db2.gz IBYFKVUSJRZLQM-QGZVFWFLSA-N 0 0 344.499 3.788 10 0 EHAERN CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000105054428 1137879960 /nfs/dbraw/zinc/87/99/60/1137879960.db2.gz JENJOTIJVCIXPD-SFHVURJKSA-N 0 0 338.407 3.560 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000333612837 1138311336 /nfs/dbraw/zinc/31/13/36/1138311336.db2.gz YHXWBHQYLCTBEZ-SJLPKXTDSA-N 0 0 342.483 3.789 10 0 EHAERN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333923030 1138347925 /nfs/dbraw/zinc/34/79/25/1138347925.db2.gz RXCXIEYNJIGPNO-KVSKMBFKSA-N 0 0 348.446 3.883 10 0 EHAERN Cc1nc(N[C@@H]2CC3(CCCC3)Oc3ccccc32)cc2nncn21 ZINC000334031407 1138363903 /nfs/dbraw/zinc/36/39/03/1138363903.db2.gz LJQCOVBIWMBGAF-OAHLLOKOSA-N 0 0 335.411 3.681 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2cc(C)ccc2C)cs1 ZINC000187114117 1140239259 /nfs/dbraw/zinc/23/92/59/1140239259.db2.gz HEWBARYWYOKTSK-INIZCTEOSA-N 0 0 330.453 3.811 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cs1 ZINC000189828114 1140366593 /nfs/dbraw/zinc/36/65/93/1140366593.db2.gz GDNFRQJZVPBBGI-INIZCTEOSA-N 0 0 340.452 3.762 10 0 EHAERN N[C@@H]1C(=O)Nc2cc(Sc3cccc(Br)c3)ccc21 ZINC000055308070 214304066 /nfs/dbraw/zinc/30/40/66/214304066.db2.gz TYLLEDBOXRAZIC-ZDUSSCGKSA-N 0 0 335.226 3.552 10 0 EHAERN COc1ccc([C@@H](O)c2ccc(F)c(C)c2)c(Br)c1 ZINC000063056670 214740903 /nfs/dbraw/zinc/74/09/03/214740903.db2.gz SVQOSIJKQJLMSB-HNNXBMFYSA-N 0 0 325.177 3.987 10 0 EHAERN NC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000015539348 201958589 /nfs/dbraw/zinc/95/85/89/201958589.db2.gz UMKCFXDFEBSAMM-FNORWQNLSA-N 0 0 335.190 3.744 10 0 EHAERN NC(=S)c1ccccc1OCc1ccc(Br)s1 ZINC000019514156 202009641 /nfs/dbraw/zinc/00/96/41/202009641.db2.gz GECNYPXIAIPNHT-UHFFFAOYSA-N 0 0 328.256 3.724 10 0 EHAERN CC1CCN(c2nnc(C(=O)Nc3cccnc3)c3ccccc32)CC1 ZINC000034837877 535286975 /nfs/dbraw/zinc/28/69/75/535286975.db2.gz QZFAFYWIGDMSHY-UHFFFAOYSA-N 0 0 347.422 3.513 10 0 EHAERN O=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 ZINC000019943276 202027961 /nfs/dbraw/zinc/02/79/61/202027961.db2.gz QFKPEWPWDHEYQZ-UHFFFAOYSA-N 0 0 348.383 3.942 10 0 EHAERN COc1ccc(/C=C(\C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000020529935 202047423 /nfs/dbraw/zinc/04/74/23/202047423.db2.gz SWUHAJHAXLJFDF-QIYXJHPLSA-N 0 0 337.419 3.531 10 0 EHAERN Cc1cc(C)cc(N2C[C@H](C(=O)N3c4ccccc4C[C@H]3C)CC2=O)c1 ZINC000020374085 202040109 /nfs/dbraw/zinc/04/01/09/202040109.db2.gz KQHNVJJZUGJMPH-SJLPKXTDSA-N 0 0 348.446 3.634 10 0 EHAERN O=C(Cn1c2ccccc2nc1-c1ccccc1Cl)N1CCCC1 ZINC000021004078 202060923 /nfs/dbraw/zinc/06/09/23/202060923.db2.gz GBOYAINGXSECOQ-UHFFFAOYSA-N 0 0 339.826 3.979 10 0 EHAERN CC[C@@H](C(=S)NCc1ccccc1)N(Cc1ccccc1)C(C)=O ZINC000022130343 202079477 /nfs/dbraw/zinc/07/94/77/202079477.db2.gz XBCCMKKHEYEGRD-IBGZPJMESA-N 0 0 340.492 3.931 10 0 EHAERN Cc1ccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000022620051 202089016 /nfs/dbraw/zinc/08/90/16/202089016.db2.gz JIQXROXJRXSSAA-QGZVFWFLSA-N 0 0 346.377 3.666 10 0 EHAERN CC(C)C[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2ncccc12 ZINC000022661327 202089332 /nfs/dbraw/zinc/08/93/32/202089332.db2.gz OYPNUXVHLXDHDF-ZDUSSCGKSA-N 0 0 340.402 3.724 10 0 EHAERN COc1ccc(N)cc1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000038033295 202091648 /nfs/dbraw/zinc/09/16/48/202091648.db2.gz HGEBZNZMLVEAOY-UHFFFAOYSA-N 0 0 325.195 3.514 10 0 EHAERN Cc1cccc(C)c1OCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025513127 202131845 /nfs/dbraw/zinc/13/18/45/202131845.db2.gz OXYLQTLHMFXYPP-ZIAGYGMSSA-N 0 0 329.362 3.920 10 0 EHAERN Cc1cccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)c1 ZINC000028092447 202165916 /nfs/dbraw/zinc/16/59/16/202165916.db2.gz UURDNARCIHXGMB-QGZVFWFLSA-N 0 0 346.377 3.666 10 0 EHAERN Cc1ccsc1/C=C1/SC(=N)N(c2ccc3c(c2)OCO3)C1=O ZINC000033321881 202257081 /nfs/dbraw/zinc/25/70/81/202257081.db2.gz VHCFFBUTHNGIDU-WWTZXEOESA-N 0 0 344.417 3.841 10 0 EHAERN O=C(/C=C\c1cccs1)NC(=S)N1CCCc2ccccc21 ZINC000033321916 202257752 /nfs/dbraw/zinc/25/77/52/202257752.db2.gz WFCQMWWVCBMFLA-KTKRTIGZSA-N 0 0 328.462 3.615 10 0 EHAERN COCCOc1ccccc1-c1nc(C(=O)NCCC(C)C)cs1 ZINC000034714503 202276361 /nfs/dbraw/zinc/27/63/61/202276361.db2.gz QAYDNTHPTINXEZ-UHFFFAOYSA-N 0 0 348.468 3.611 10 0 EHAERN O=C(/C=C\c1ccco1)Nc1cccc(NC(=O)/C=C\c2ccco2)n1 ZINC000034857010 202278782 /nfs/dbraw/zinc/27/87/82/202278782.db2.gz YUFJMFXVUUMVCA-WGEIWTTOSA-N 0 0 349.346 3.571 10 0 EHAERN Cc1nc(CNc2cc(Br)ccc2N(C)C)cs1 ZINC000035046205 202285342 /nfs/dbraw/zinc/28/53/42/202285342.db2.gz JUGFGWKAVNQHOO-UHFFFAOYSA-N 0 0 326.263 3.892 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000035143638 202288325 /nfs/dbraw/zinc/28/83/25/202288325.db2.gz IUZMHTYIQLWUOH-UHFFFAOYSA-N 0 0 349.434 3.534 10 0 EHAERN O=C(NCc1ccc(F)cc1)c1csc(COc2ccccc2)n1 ZINC000036084459 202312807 /nfs/dbraw/zinc/31/28/07/202312807.db2.gz WEBDBXZSSAKLDP-UHFFFAOYSA-N 0 0 342.395 3.791 10 0 EHAERN CCCCNC(=O)[C@H](C)Nc1ccc(Br)cc1Cl ZINC000037392399 202340326 /nfs/dbraw/zinc/34/03/26/202340326.db2.gz MZQBSNZIXYJTEQ-VIFPVBQESA-N 0 0 333.657 3.819 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N[C@@H](C)c1ccco1 ZINC000037506978 202343762 /nfs/dbraw/zinc/34/37/62/202343762.db2.gz NFEHHOPVEPAHCO-JTQLQIEISA-N 0 0 325.206 3.745 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccnc2Cl)C1 ZINC000073734786 202366547 /nfs/dbraw/zinc/36/65/47/202366547.db2.gz WEFUXNIPQBSIDP-GFCCVEGCSA-N 0 0 325.840 3.794 10 0 EHAERN NC(=O)[C@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000037944460 202380012 /nfs/dbraw/zinc/38/00/12/202380012.db2.gz CZUHSPPMLBKVEA-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN COc1ccc(C(=O)N(C)[C@H](C)CC(C)C)cc1Br ZINC000037982956 202382290 /nfs/dbraw/zinc/38/22/90/202382290.db2.gz HDUOOCFTJWLGPV-LLVKDONJSA-N 0 0 328.250 3.964 10 0 EHAERN CCCn1cc(Br)cc1C(=O)Nc1cccnc1Cl ZINC000037843680 202370892 /nfs/dbraw/zinc/37/08/92/202370892.db2.gz ZJIIBPPIOJUNQQ-UHFFFAOYSA-N 0 0 342.624 3.961 10 0 EHAERN CCOC(=O)[C@H](N[C@@H](C)CC)c1cc(Br)ccc1F ZINC000038067595 202391002 /nfs/dbraw/zinc/39/10/02/202391002.db2.gz KDLJAZRDHPTYFK-TVQRCGJNSA-N 0 0 332.213 3.581 10 0 EHAERN CCOC(=O)[C@@](C)(N[C@@H](C)CC)c1ccccc1Br ZINC000038067711 202391156 /nfs/dbraw/zinc/39/11/56/202391156.db2.gz NDHNQXKSDJLWKY-NHYWBVRUSA-N 0 0 328.250 3.616 10 0 EHAERN Cc1ccc(C)c(Cn2c(CNC(=O)C(C)C)nc3ccccc32)c1 ZINC000040274686 202431555 /nfs/dbraw/zinc/43/15/55/202431555.db2.gz NZROGBQRDXWERN-UHFFFAOYSA-N 0 0 335.451 3.974 10 0 EHAERN Cc1cccc(OCc2nc3cc(Cl)ccc3n2CCCO)c1 ZINC000040402451 202437521 /nfs/dbraw/zinc/43/75/21/202437521.db2.gz UUZKOVOLBCSCRL-UHFFFAOYSA-N 0 0 330.815 3.960 10 0 EHAERN CCN1C(=S)N=NC1COc1ccc(Cl)cc1Br ZINC000026469925 201061492 /nfs/dbraw/zinc/06/14/92/201061492.db2.gz IVVYZZHXYBKGJJ-UHFFFAOYSA-N 0 0 348.653 3.582 10 0 EHAERN CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(C(C)=O)cc1 ZINC000090759378 201373882 /nfs/dbraw/zinc/37/38/82/201373882.db2.gz RTWAOJNJXYQCEE-UHFFFAOYSA-N 0 0 332.359 3.509 10 0 EHAERN Cc1nc(N2C(=O)CS[C@H]2c2c(F)cccc2F)sc1C ZINC000028712619 201387616 /nfs/dbraw/zinc/38/76/16/201387616.db2.gz AXFXOBANCCBRDV-ZDUSSCGKSA-N 0 0 326.393 3.817 10 0 EHAERN CCOC(=O)c1ccc(-c2cnc(C)nc2NC2CCCC2)cc1 ZINC000028824771 201387912 /nfs/dbraw/zinc/38/79/12/201387912.db2.gz FZVLFPDJOKHWAG-UHFFFAOYSA-N 0 0 325.412 3.983 10 0 EHAERN Cc1nc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)sc1C ZINC000028712618 201388179 /nfs/dbraw/zinc/38/81/79/201388179.db2.gz AXFXOBANCCBRDV-CYBMUJFWSA-N 0 0 326.393 3.817 10 0 EHAERN O=Cc1ccc(OCC(=O)c2ccc(Br)s2)cc1 ZINC000048101965 202590128 /nfs/dbraw/zinc/59/01/28/202590128.db2.gz KZXAENRFCATOEE-UHFFFAOYSA-N 0 0 325.183 3.585 10 0 EHAERN COc1cc(Br)c(NC(=O)N[C@H](C)C(C)C)cc1OC ZINC000048920919 202612426 /nfs/dbraw/zinc/61/24/26/202612426.db2.gz NOKGIOUGWVCAJL-SECBINFHSA-N 0 0 345.237 3.632 10 0 EHAERN Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)nc1 ZINC000000166825 201442779 /nfs/dbraw/zinc/44/27/79/201442779.db2.gz OMHQTXXJYVHMJP-UHFFFAOYSA-N 0 0 344.827 3.506 10 0 EHAERN C[C@H](c1ccccc1)N1C(=O)CC[C@]1(C)C(=O)NC1CCCCCC1 ZINC000000218626 201450764 /nfs/dbraw/zinc/45/07/64/201450764.db2.gz SJSYWAFLUMTAIC-IIBYNOLFSA-N 0 0 342.483 3.968 10 0 EHAERN Cc1cc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2c(C)c1 ZINC000004264329 201595270 /nfs/dbraw/zinc/59/52/70/201595270.db2.gz FEMMMKLCRPIVQO-UHFFFAOYSA-N 0 0 340.404 3.937 10 0 EHAERN C[C@H]1CCc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)cc2C1 ZINC000005148041 201639788 /nfs/dbraw/zinc/63/97/88/201639788.db2.gz DWJBVSRPUHCDTB-NSHDSACASA-N 0 0 337.345 3.665 10 0 EHAERN Cc1nn(-c2ccc(F)cc2)c(C)c1CCC(=O)N1CCCCC1 ZINC000065171099 202826443 /nfs/dbraw/zinc/82/64/43/202826443.db2.gz BRXJGYACEGDAHZ-UHFFFAOYSA-N 0 0 329.419 3.573 10 0 EHAERN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000069664169 203034018 /nfs/dbraw/zinc/03/40/18/203034018.db2.gz LAXZDQJUVGWFHX-ZWKOTPCHSA-N 0 0 347.418 3.505 10 0 EHAERN Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)CCOCC(C)C ZINC000069737520 203042163 /nfs/dbraw/zinc/04/21/63/203042163.db2.gz WPAKFFGRPRKZBS-UHFFFAOYSA-N 0 0 349.406 3.661 10 0 EHAERN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1OCCC(=O)[C@H]12 ZINC000253596615 244032327 /nfs/dbraw/zinc/03/23/27/244032327.db2.gz UBWYZPIHNVMDTI-XTUDMUHBSA-N 0 0 344.495 3.894 10 0 EHAERN CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)OCc1ccccc1 ZINC000072191313 203183592 /nfs/dbraw/zinc/18/35/92/203183592.db2.gz OPWFGZCVKJZWFW-UHFFFAOYSA-N 0 0 336.432 3.606 10 0 EHAERN O=c1[nH]c(NC2CCCCC2)nc2nccc(-c3ccc(F)cc3)c12 ZINC000072440701 203225739 /nfs/dbraw/zinc/22/57/39/203225739.db2.gz BXBJPGMGZLQUIQ-UHFFFAOYSA-N 0 0 338.386 3.869 10 0 EHAERN O=C(NC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450853 203226514 /nfs/dbraw/zinc/22/65/14/203226514.db2.gz LDHUMRIOFSDIIG-UHFFFAOYSA-N 0 0 330.815 3.758 10 0 EHAERN COC(=O)c1c(C)nc(C)c2c1ccn(C1CCCCCC1)c2=O ZINC000072452095 203227368 /nfs/dbraw/zinc/22/73/68/203227368.db2.gz NTWWIQCQNGUFQE-UHFFFAOYSA-N 0 0 328.412 3.695 10 0 EHAERN Cc1cc(NCc2ccc(C(N)=O)cc2F)ccc1Br ZINC000020045491 212096921 /nfs/dbraw/zinc/09/69/21/212096921.db2.gz KDEJEEIGMYAJSC-UHFFFAOYSA-N 0 0 337.192 3.608 10 0 EHAERN O=C(NCCc1ccccc1)N1Cc2c(cc(Cl)cc2Cl)C1=O ZINC000089211188 203570664 /nfs/dbraw/zinc/57/06/64/203570664.db2.gz UKHDBWSHOFIWBJ-UHFFFAOYSA-N 0 0 349.217 3.902 10 0 EHAERN Cc1ccc(NC(=O)[C@H]2CNc3ccccc3O2)c(Br)c1 ZINC000019436504 212028337 /nfs/dbraw/zinc/02/83/37/212028337.db2.gz HDIQNUSYTHMSHR-OAHLLOKOSA-N 0 0 347.212 3.569 10 0 EHAERN COc1ccc2c(ccn2CC(=O)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000247917517 257674214 /nfs/dbraw/zinc/67/42/14/257674214.db2.gz BNNJJOHWZSUGGO-HXUWFJFHSA-N 0 0 349.434 3.799 10 0 EHAERN CN1c2ccccc2[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)OC1=O ZINC000504174142 257723602 /nfs/dbraw/zinc/72/36/02/257723602.db2.gz XTFWLGGCBORPFY-INIZCTEOSA-N 0 0 346.427 3.961 10 0 EHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)N1CCCc2ccccc21 ZINC000040295528 132398893 /nfs/dbraw/zinc/39/88/93/132398893.db2.gz ARKSWIKOJMXQKY-UHFFFAOYSA-N 0 0 333.435 3.941 10 0 EHAERN O=C(/C=C\c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000005813614 135673026 /nfs/dbraw/zinc/67/30/26/135673026.db2.gz UKFRNGSKWWRSQT-TWGQIWQCSA-N 0 0 344.817 3.841 10 0 EHAERN COc1cc(I)ccc1NC(=O)OC(C)(C)C ZINC000149397440 564129551 /nfs/dbraw/zinc/12/95/51/564129551.db2.gz UEMZDSPHGUAIEF-UHFFFAOYSA-N 0 0 349.168 3.647 10 0 EHAERN COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc21 ZINC000006483721 560109422 /nfs/dbraw/zinc/10/94/22/560109422.db2.gz VOLZBKQSLGCZGC-UHFFFAOYSA-N 0 0 326.348 3.762 10 0 endogenous,in-man EHAERN CC(C)=CCc1c2oc(CO)cc(=O)c2cc2c1OC(C)(C)C=C2 ZINC000000897965 560179193 /nfs/dbraw/zinc/17/91/93/560179193.db2.gz GTKAFJOQXBXVJD-UHFFFAOYSA-N 0 0 326.392 3.978 10 0 in-vitro EHAERN C[C@H]1CCCCN1C(=O)/C=C1\Sc2ccc(Cl)cc2NC1=O ZINC000096422950 563951788 /nfs/dbraw/zinc/95/17/88/563951788.db2.gz GYQRBQGKUDQQHU-ADVUTCEVSA-N 0 0 336.844 3.669 10 0 EHAERN CC(C)(C)OC(=O)N([C@H](C(=N)NO)c1cccs1)C1CCCC1 ZINC000409441283 563962181 /nfs/dbraw/zinc/96/21/81/563962181.db2.gz OLVIKKZRXCKJDM-ZDUSSCGKSA-N 0 0 339.461 3.925 10 0 EHAERN COc1c(C(C)C)cc(O)c2c1CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C ZINC000039137780 563982954 /nfs/dbraw/zinc/98/29/54/563982954.db2.gz XGRBHDJWRPUKMD-TYCQWZJGSA-N 0 0 346.467 3.706 10 0 EHAERN CC(C)CC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961745 564177202 /nfs/dbraw/zinc/17/72/02/564177202.db2.gz NSJLSOKKAGEQHK-KRWDZBQOSA-N 0 0 348.487 3.627 10 0 EHAERN CC(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685962201 564177253 /nfs/dbraw/zinc/17/72/53/564177253.db2.gz XYUOZSRDGPXCCM-GOEBONIOSA-N 0 0 335.444 3.710 10 0 EHAERN C[C@@H](C(=O)CCCOCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000405510191 564177581 /nfs/dbraw/zinc/17/75/81/564177581.db2.gz RDASBBMZKNTWAW-HNNXBMFYSA-N 0 0 335.444 3.808 10 0 EHAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)c1cscc1Br ZINC000405618014 564177613 /nfs/dbraw/zinc/17/76/13/564177613.db2.gz NJABGVCAPCLIJC-ZETCQYMHSA-N 0 0 334.235 3.607 10 0 EHAERN C[N@H+](CCCOc1ccc(Cc2cccs2)cc1)CCC(=O)[O-] ZINC000001544407 581097395 /nfs/dbraw/zinc/09/73/95/581097395.db2.gz GMDFARFIYKWUOZ-UHFFFAOYSA-N 0 0 333.453 3.514 10 0 EHAERN C[C@H](c1ccccc1Br)[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710298344 977500765 /nfs/dbraw/zinc/50/07/65/977500765.db2.gz LZQNFFMWGWFFOO-RWSFTLGLSA-N 0 0 326.234 3.553 10 0 EHAERN CCC(CC)([NH2+]Cc1cccc(Cl)c1Br)C(=O)[O-] ZINC000719411215 978002808 /nfs/dbraw/zinc/00/28/08/978002808.db2.gz BTIPBNRZRQEZAX-UHFFFAOYSA-N 0 0 334.641 3.836 10 0 EHAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000045083071 1014936207 /nfs/dbraw/zinc/93/62/07/1014936207.db2.gz RKQRTQISHKRPML-OAGGEKHMSA-N 0 0 348.512 3.637 10 0 EHAERN COC[C@@H](Nc1cc(-c2nnc3n2CCCCC3)ccc1C)C1CC1 ZINC000182718680 1032123557 /nfs/dbraw/zinc/12/35/57/1032123557.db2.gz NBILIHJBIZNAEO-GOSISDBHSA-N 0 0 340.471 3.817 10 0 EHAERN CO[C@H](C)c1nc(CN2CCC(Oc3ccc(C)cn3)CC2)cs1 ZINC000182852067 1032144077 /nfs/dbraw/zinc/14/40/77/1032144077.db2.gz NXNHGNFHCNJZOH-CQSZACIVSA-N 0 0 347.484 3.597 10 0 EHAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CC(C)(C)C1 ZINC000275306445 1016350628 /nfs/dbraw/zinc/35/06/28/1016350628.db2.gz BBXACJFIFJXJCG-LAVFITLUSA-N 0 0 330.472 3.880 10 0 EHAERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)o1 ZINC000407994078 1016778208 /nfs/dbraw/zinc/77/82/08/1016778208.db2.gz ZXLKYBRVNQGTIS-CWLKWCNXSA-N 0 0 344.455 3.782 10 0 EHAERN CC(C)OC(=O)C[C@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000588471436 1016804524 /nfs/dbraw/zinc/80/45/24/1016804524.db2.gz MUQKIVSXADBVRK-FJVVXJACSA-N 0 0 349.858 3.934 10 0 EHAERN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)on1 ZINC000407997636 1016810194 /nfs/dbraw/zinc/81/01/94/1016810194.db2.gz IONXHTZODGINBD-UPJWGTAASA-N 0 0 345.365 3.951 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCO[C@H]2C2CC2)o1 ZINC000408015012 1016923503 /nfs/dbraw/zinc/92/35/03/1016923503.db2.gz ZBHRIXBNBSUEHU-RYRKJORJSA-N 0 0 332.444 3.782 10 0 EHAERN CCC[C@H]1C[C@@H](C(=O)N2CCC(Nc3ccccc3F)CC2)CCO1 ZINC000184007779 1032223241 /nfs/dbraw/zinc/22/32/41/1032223241.db2.gz AQQGOQJWRKSPBA-RDJZCZTQSA-N 0 0 348.462 3.824 10 0 EHAERN O=C(Nc1ccc(F)cc1Cl)N1CCCN(c2ccccn2)CC1 ZINC000184025703 1032226096 /nfs/dbraw/zinc/22/60/96/1032226096.db2.gz LVRQNYHJTVMXDN-UHFFFAOYSA-N 0 0 348.809 3.618 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3C[C@H](C)CC(C)(C)C3)C2)n1 ZINC000183820948 1032231073 /nfs/dbraw/zinc/23/10/73/1032231073.db2.gz JQOUQNUYRRVOJK-QGTPRVQTSA-N 0 0 346.519 3.596 10 0 EHAERN Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)ccc1N(C)C ZINC000080741661 1032285217 /nfs/dbraw/zinc/28/52/17/1032285217.db2.gz WKYFWPFNDUDQBF-SJLPKXTDSA-N 0 0 341.459 3.563 10 0 EHAERN C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccncc1 ZINC000184373915 1032287991 /nfs/dbraw/zinc/28/79/91/1032287991.db2.gz UOQQUKWUFQDMSQ-CXAGYDPISA-N 0 0 345.830 3.579 10 0 EHAERN C/C(=C\C(C)(C)C)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184964278 1032349580 /nfs/dbraw/zinc/34/95/80/1032349580.db2.gz JOQFWNJDGNZUIW-FOCLMDBBSA-N 0 0 334.504 3.620 10 0 EHAERN CCCCOc1ccc(NC(=O)[C@@H]2CCCn3ccnc32)c(C)c1 ZINC000081582680 1032580015 /nfs/dbraw/zinc/58/00/15/1032580015.db2.gz ZXAOAAMHHQLXHR-MRXNPFEDSA-N 0 0 327.428 3.887 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CC3=CCCCC3)C2)c1 ZINC000081640390 1032614961 /nfs/dbraw/zinc/61/49/61/1032614961.db2.gz FNUVTYNMJPUHQL-INIZCTEOSA-N 0 0 329.440 3.910 10 0 EHAERN C[C@H]1C[C@H](C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)CC(C)(C)C1 ZINC000408038415 1017501130 /nfs/dbraw/zinc/50/11/30/1017501130.db2.gz MKYMLCCEEDOCMU-XIRDDKMYSA-N 0 0 344.503 3.609 10 0 EHAERN O=C(c1sccc1Br)N1CCC[C@@H]1c1nccs1 ZINC000377246611 1017523251 /nfs/dbraw/zinc/52/32/51/1017523251.db2.gz VHPUCJGCROTWLS-SECBINFHSA-N 0 0 343.271 3.944 10 0 EHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(F)c1F ZINC000114575066 1018616008 /nfs/dbraw/zinc/61/60/08/1018616008.db2.gz WAAYPMWMRZAMKX-AWEZNQCLSA-N 0 0 334.370 3.684 10 0 EHAERN CNc1ccc(Cl)c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000408465788 1019081724 /nfs/dbraw/zinc/08/17/24/1019081724.db2.gz HUHWKHAALPOELY-IAOVAPTHSA-N 0 0 336.863 3.537 10 0 EHAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000333342960 1019305309 /nfs/dbraw/zinc/30/53/09/1019305309.db2.gz UABLHMPGCLLVER-MAUKXSAKSA-N 0 0 341.455 3.541 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1F ZINC000333448588 1019609390 /nfs/dbraw/zinc/60/93/90/1019609390.db2.gz NFGGOGRTXVAHPX-LRDDRELGSA-N 0 0 346.406 3.602 10 0 EHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000089399998 1020306863 /nfs/dbraw/zinc/30/68/63/1020306863.db2.gz YHGNVMFUAPTSQB-MLGOLLRUSA-N 0 0 344.480 3.578 10 0 EHAERN CCc1ccc(-c2csc(NC(=O)/C=C\c3ccncn3)n2)cc1 ZINC000588403127 1020548193 /nfs/dbraw/zinc/54/81/93/1020548193.db2.gz DSPONUUCNHVQOB-FPLPWBNLSA-N 0 0 336.420 3.814 10 0 EHAERN C[C@H]1CC(C(=O)N=c2[nH]c3ccccc3n2C2CCCC2)C[C@H](C)O1 ZINC000091732836 1020837730 /nfs/dbraw/zinc/83/77/30/1020837730.db2.gz QZETXVNBQILPSQ-KBPBESRZSA-N 0 0 341.455 3.715 10 0 EHAERN CCC[C@@]1(C)CCCN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000153921576 1032952065 /nfs/dbraw/zinc/95/20/65/1032952065.db2.gz WSXPXOUKCHFDRE-BEFAXECRSA-N 0 0 347.507 3.848 10 0 EHAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1 ZINC000246494308 1021132463 /nfs/dbraw/zinc/13/24/63/1021132463.db2.gz ZSDIDBFOCJVLOU-UWWQBHOKSA-N 0 0 349.496 3.662 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Nc1cccc(Cl)c1 ZINC000588611842 1033047790 /nfs/dbraw/zinc/04/77/90/1033047790.db2.gz ZYCWVQFSLYALEL-PLNGDYQASA-N 0 0 339.823 3.542 10 0 EHAERN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128214609 1022419347 /nfs/dbraw/zinc/41/93/47/1022419347.db2.gz WOPQFCJXPHIJJD-XJKSGUPXSA-N 0 0 342.361 3.864 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)c2cc3ccccc3o2)[nH]1 ZINC000328668982 1022458578 /nfs/dbraw/zinc/45/85/78/1022458578.db2.gz DXNZYERECKSMIE-SWLSCSKDSA-N 0 0 338.411 3.717 10 0 EHAERN O=S(=O)(N[C@@H](c1ccco1)c1ccccc1)c1cccc(F)c1F ZINC000101569550 1022528916 /nfs/dbraw/zinc/52/89/16/1022528916.db2.gz CYZHLQUAPNXYPY-QGZVFWFLSA-N 0 0 349.358 3.626 10 0 EHAERN CCOc1cc(Cl)ccc1CNC(=O)/C=C\c1ncccc1C ZINC000588453966 1023046701 /nfs/dbraw/zinc/04/67/01/1023046701.db2.gz MOCTYAUKJLRCAA-HJWRWDBZSA-N 0 0 330.815 3.772 10 0 EHAERN Cc1c(C(=O)N[C@@H]2CCCc3c(O)cccc32)oc2c1C(=O)CCC2 ZINC000190221963 1023180829 /nfs/dbraw/zinc/18/08/29/1023180829.db2.gz ZBKJHWQFIRXGOT-CQSZACIVSA-N 0 0 339.391 3.620 10 0 EHAERN CCCC1CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000055431763 1023187369 /nfs/dbraw/zinc/18/73/69/1023187369.db2.gz PWQJKUXQAUMWLO-KVULBXGLSA-N 0 0 346.496 3.965 10 0 EHAERN Cc1csc([C@H]2COCCN2C(=O)N[C@H](C)c2cc(C)oc2C)n1 ZINC000190149806 1023257403 /nfs/dbraw/zinc/25/74/03/1023257403.db2.gz FXINKFODYAFTNR-IUODEOHRSA-N 0 0 349.456 3.505 10 0 EHAERN O=C(/C=C\c1ccncn1)N1CCc2c1cccc2-c1ccccc1 ZINC000588472988 1023717052 /nfs/dbraw/zinc/71/70/52/1023717052.db2.gz KVIVPOISTAELLN-KTKRTIGZSA-N 0 0 327.387 3.746 10 0 EHAERN C/C(=C/C(=O)Nc1cccc2c1OCC[C@H]2O)c1cccc(F)c1 ZINC000588479340 1023881773 /nfs/dbraw/zinc/88/17/73/1023881773.db2.gz FLJKQLANNBEYSL-XSLBHYSZSA-N 0 0 327.355 3.684 10 0 EHAERN CC(C)Cc1nnc(NC(=O)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000191395733 1024090050 /nfs/dbraw/zinc/09/00/50/1024090050.db2.gz DEXBJADSVSBHNR-CYBMUJFWSA-N 0 0 346.456 3.641 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000093282488 1024095727 /nfs/dbraw/zinc/09/57/27/1024095727.db2.gz GUELNDMDHGMEPY-GHMZBOCLSA-N 0 0 332.370 3.881 10 0 EHAERN Cc1c(C(=O)N(C)[C@@H](C)c2cnn(C)c2)oc2c1c(C)ccc2C ZINC000182641957 1024115468 /nfs/dbraw/zinc/11/54/68/1024115468.db2.gz UBFGBCOBVVLYEP-AWEZNQCLSA-N 0 0 325.412 3.925 10 0 EHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000280865544 1024198901 /nfs/dbraw/zinc/19/89/01/1024198901.db2.gz ACWXXXACHAMCDS-WTGUMLROSA-N 0 0 342.483 3.789 10 0 EHAERN CC[C@@H]1CCCCCN1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000153704868 1024283814 /nfs/dbraw/zinc/28/38/14/1024283814.db2.gz LNZSUJKSWKAKBF-CABCVRRESA-N 0 0 333.480 3.601 10 0 EHAERN C[C@H](c1cc(Cl)ccc1Cl)N1CCC(n2cncn2)CC1 ZINC000151691932 1024416673 /nfs/dbraw/zinc/41/66/73/1024416673.db2.gz WJJMOTGUPDQTOQ-LLVKDONJSA-N 0 0 325.243 3.983 10 0 EHAERN Cc1nc(CN(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cs1 ZINC000065886104 1024559866 /nfs/dbraw/zinc/55/98/66/1024559866.db2.gz DXIMGRJIADNADN-UHFFFAOYSA-N 0 0 338.498 3.570 10 0 EHAERN Brc1ccc(-c2nccc(COc3ccccn3)n2)cc1 ZINC000120033057 1033227219 /nfs/dbraw/zinc/22/72/19/1033227219.db2.gz BBFVUDIAYMHZJT-UHFFFAOYSA-N 0 0 342.196 3.880 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000588500089 1025240192 /nfs/dbraw/zinc/24/01/92/1025240192.db2.gz XOTQWYPIKMCOIB-PFONDFGASA-N 0 0 334.504 3.666 10 0 EHAERN CC(C)(C)NC(=O)CSCc1ccc(F)c(Br)c1 ZINC000105632951 1025343719 /nfs/dbraw/zinc/34/37/19/1025343719.db2.gz BQJPEPFJWCXTOK-UHFFFAOYSA-N 0 0 334.254 3.736 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C[C@H]1CCCCC1(C)C ZINC000121503158 1025470245 /nfs/dbraw/zinc/47/02/45/1025470245.db2.gz UDFNXELDTPZCLC-HUUCEWRRSA-N 0 0 332.492 3.959 10 0 EHAERN COc1ccc([C@@H](C)NC(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000102888761 1025554445 /nfs/dbraw/zinc/55/44/45/1025554445.db2.gz QMJGQEUSSAJXQN-MRVPVSSYSA-N 0 0 327.277 3.743 10 0 EHAERN CC1(C)CCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000102919415 1025557460 /nfs/dbraw/zinc/55/74/60/1025557460.db2.gz VQBIJMOLKCDUSK-UHFFFAOYSA-N 0 0 346.434 3.949 10 0 EHAERN Cn1nccc1CCC(=O)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588508429 1025636069 /nfs/dbraw/zinc/63/60/69/1025636069.db2.gz JIENDCIJAVKTNO-HYXAFXHYSA-N 0 0 338.329 3.628 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@H](C)Oc3cccc(F)c3)c21 ZINC000103128713 1026064669 /nfs/dbraw/zinc/06/46/69/1026064669.db2.gz ZXHZLIFVYGQGLI-AWEZNQCLSA-N 0 0 340.398 3.742 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)c3cccc4cn[nH]c43)C2)sc1C ZINC000329615244 1026076309 /nfs/dbraw/zinc/07/63/09/1026076309.db2.gz FHPXBHLUSXGLMN-CQSZACIVSA-N 0 0 340.452 3.656 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1c(F)cccc1Cl ZINC000104456106 1026256059 /nfs/dbraw/zinc/25/60/59/1026256059.db2.gz UKTWTYUDGFJACU-UHFFFAOYSA-N 0 0 335.806 3.731 10 0 EHAERN COc1ccccc1CCN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000104461516 1026257995 /nfs/dbraw/zinc/25/79/95/1026257995.db2.gz BGRNYFWVLKEPCI-UHFFFAOYSA-N 0 0 329.415 3.813 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@@H](C)c3ccccn3)C2)cc1 ZINC000122415039 1026460784 /nfs/dbraw/zinc/46/07/84/1026460784.db2.gz LTJBXCPPJTVKCW-HLLBOEOZSA-N 0 0 339.439 3.739 10 0 EHAERN CC[C@@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1ccccc1OC ZINC000168027372 1026650693 /nfs/dbraw/zinc/65/06/93/1026650693.db2.gz AFNQXBKKWVHUQH-CVEARBPZSA-N 0 0 328.460 3.986 10 0 EHAERN CCCCC[C@@H](C)NC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000119947301 1026680077 /nfs/dbraw/zinc/68/00/77/1026680077.db2.gz AGDITWYETKTCNI-MLGOLLRUSA-N 0 0 348.422 3.875 10 0 EHAERN Cc1ccc2ncnc(N3CCC[C@@H]3c3nncn3CC(C)C)c2c1 ZINC000301344173 1026770325 /nfs/dbraw/zinc/77/03/25/1026770325.db2.gz GHPGNHPWTWZOQB-QGZVFWFLSA-N 0 0 336.443 3.527 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(F)c(F)c3F)CCO2)o1 ZINC000152942506 1026873950 /nfs/dbraw/zinc/87/39/50/1026873950.db2.gz RJFUUJJLOAHGFF-CYBMUJFWSA-N 0 0 340.301 3.611 10 0 EHAERN CCc1nc2sccc2c(NC[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC000301836853 1026959196 /nfs/dbraw/zinc/95/91/96/1026959196.db2.gz MFIDWVMWACJWRT-NSHDSACASA-N 0 0 338.436 3.792 10 0 EHAERN FC(F)(F)c1c[nH]c(C2CCN(c3nc4ccccc4[nH]3)CC2)n1 ZINC000301899811 1026985111 /nfs/dbraw/zinc/98/51/11/1026985111.db2.gz YLNOAYXOTGDDQA-UHFFFAOYSA-N 0 0 335.333 3.689 10 0 EHAERN CN(c1nnc(Cc2ccc(F)cc2)s1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000302107144 1027055672 /nfs/dbraw/zinc/05/56/72/1027055672.db2.gz OCEFYQUNCHFZRI-FVQBIDKESA-N 0 0 347.459 3.518 10 0 EHAERN CC(=O)N1CC[C@H](Nc2nc3ccccc3[nH]2)c2ccc(F)cc2C1 ZINC000302201287 1027087296 /nfs/dbraw/zinc/08/72/96/1027087296.db2.gz SCNXPUKFOLUGRC-INIZCTEOSA-N 0 0 338.386 3.607 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3ccc(Cl)nc3)CC2)n1 ZINC000126629629 1027223063 /nfs/dbraw/zinc/22/30/63/1027223063.db2.gz RUXVNUQQNXZNST-HWKANZROSA-N 0 0 347.871 3.919 10 0 EHAERN CCn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127756344 1027349368 /nfs/dbraw/zinc/34/93/68/1027349368.db2.gz AFPILTHFVMLILL-CRAIPNDOSA-N 0 0 341.434 3.665 10 0 EHAERN CCCC[C@@H](CCC)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128833977 1027488667 /nfs/dbraw/zinc/48/86/67/1027488667.db2.gz VIGCMTSRSQTRGW-QGZVFWFLSA-N 0 0 334.508 3.743 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000129901451 1027615988 /nfs/dbraw/zinc/61/59/88/1027615988.db2.gz NLIPEXLQORCTKV-GFCCVEGCSA-N 0 0 332.429 3.728 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1COc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000106549462 1027712239 /nfs/dbraw/zinc/71/22/39/1027712239.db2.gz YZQXBLPVCZARQV-WCQYABFASA-N 0 0 345.468 3.935 10 0 EHAERN O=C(c1cc(F)c(F)cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000131243518 1027754442 /nfs/dbraw/zinc/75/44/42/1027754442.db2.gz MXLVPNLXAZDVES-SECBINFHSA-N 0 0 326.343 3.580 10 0 EHAERN CCC(CC)n1ncc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1C ZINC000153370284 1027785919 /nfs/dbraw/zinc/78/59/19/1027785919.db2.gz CGGUTYRADSWIOC-GOSISDBHSA-N 0 0 345.443 3.668 10 0 EHAERN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1cscn1 ZINC000102012922 1027845844 /nfs/dbraw/zinc/84/58/44/1027845844.db2.gz NYAUCXZINSYTHS-VIFPVBQESA-N 0 0 344.267 3.880 10 0 EHAERN CC[C@]1(CO)CCCN1C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 ZINC000588552935 1027902447 /nfs/dbraw/zinc/90/24/47/1027902447.db2.gz USJGVIJJIZKCEP-OLHLWXQYSA-N 0 0 344.842 3.665 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCO1 ZINC000120312997 1027988544 /nfs/dbraw/zinc/98/85/44/1027988544.db2.gz KNZUARFKSCVKAZ-UKRRQHHQSA-N 0 0 332.444 3.546 10 0 EHAERN O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246223933 1028021952 /nfs/dbraw/zinc/02/19/52/1028021952.db2.gz WBGFBQLKGZHNQV-PWIZWCRZSA-N 0 0 338.451 3.564 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCc1ccc(C)cc1C ZINC000105194498 1028067063 /nfs/dbraw/zinc/06/70/63/1028067063.db2.gz DUFCEZRHFBECFS-UHFFFAOYSA-N 0 0 339.483 3.905 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@H](C)c3cccc(F)c3)CCO2)o1 ZINC000133840186 1028072467 /nfs/dbraw/zinc/07/24/67/1028072467.db2.gz BKPHXARMPPNIAN-SCLBCKFNSA-N 0 0 331.387 3.821 10 0 EHAERN CC1(C)CCc2sc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)nc21 ZINC000333581203 1028096757 /nfs/dbraw/zinc/09/67/57/1028096757.db2.gz UFGIPRLHWCZXIJ-KZULUSFZSA-N 0 0 349.500 3.526 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000246298418 1028179104 /nfs/dbraw/zinc/17/91/04/1028179104.db2.gz DZENADRTUNEFBE-RMRKRWHISA-N 0 0 344.480 3.669 10 0 EHAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000246301016 1028182561 /nfs/dbraw/zinc/18/25/61/1028182561.db2.gz GUILQTGPLDZYGJ-PJKMLTEKSA-N 0 0 341.476 3.580 10 0 EHAERN CC(C)Sc1ccc([C@H](C)NC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000105246756 1028184583 /nfs/dbraw/zinc/18/45/83/1028184583.db2.gz SWYXOQKQHUDFNJ-HNNXBMFYSA-N 0 0 347.528 3.738 10 0 EHAERN O=C(Nc1ccc(F)cc1Cl)N1CC[C@H](Oc2cccnc2)C1 ZINC000136900421 1028279535 /nfs/dbraw/zinc/27/95/35/1028279535.db2.gz ZDYFDGGRWVATGW-ZDUSSCGKSA-N 0 0 335.766 3.559 10 0 EHAERN O=C(C[C@@H](O)c1cccc(F)c1)N1CC=C(c2ccccc2F)CC1 ZINC000137332636 1028308587 /nfs/dbraw/zinc/30/85/87/1028308587.db2.gz CQAWLRQSZHWXFL-LJQANCHMSA-N 0 0 343.373 3.704 10 0 EHAERN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000067048826 1028354995 /nfs/dbraw/zinc/35/49/95/1028354995.db2.gz XOEUZDCPQJRVBO-LLVKDONJSA-N 0 0 329.400 3.783 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CCc2ccc(C)cc2C)c2ccccc2)[nH]1 ZINC000057890217 1028375427 /nfs/dbraw/zinc/37/54/27/1028375427.db2.gz ZBHHPIVJBAJMFL-FQEVSTJZSA-N 0 0 348.450 3.568 10 0 EHAERN CN1c2ccc(NCc3cccc(-c4cccnc4)c3)cc2CC1=O ZINC000193669138 1028455558 /nfs/dbraw/zinc/45/55/58/1028455558.db2.gz CZKCVJOQXIUEFE-UHFFFAOYSA-N 0 0 329.403 3.880 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(CC3CCC3)C(C)C)CC2)nc1 ZINC000193792952 1028463795 /nfs/dbraw/zinc/46/37/95/1028463795.db2.gz DPDNVIALVZZDAI-UHFFFAOYSA-N 0 0 344.503 3.579 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@@H]2CCCCC2(C)C)c2ccccc2)[nH]1 ZINC000194011332 1028483448 /nfs/dbraw/zinc/48/34/48/1028483448.db2.gz LDHJAVHTOLKCSP-JKSUJKDBSA-N 0 0 326.444 3.535 10 0 EHAERN CN1CCCN(C(=O)[C@@H]2CCCc3cccnc32)c2cc(F)ccc21 ZINC000194439795 1028517955 /nfs/dbraw/zinc/51/79/55/1028517955.db2.gz UJHJQHYBJDXJFH-MRXNPFEDSA-N 0 0 339.414 3.514 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000194592416 1028524142 /nfs/dbraw/zinc/52/41/42/1028524142.db2.gz WMWHTCOHOYKMKA-NSHDSACASA-N 0 0 336.848 3.911 10 0 EHAERN O=C([C@@H]1CCCc2cccnc21)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000194892208 1028557668 /nfs/dbraw/zinc/55/76/68/1028557668.db2.gz QPTZXTFRCAMJJY-GOEBONIOSA-N 0 0 332.403 3.608 10 0 EHAERN c1csc([C@H](NCc2ccccc2-n2ccnc2)c2ncc[nH]2)c1 ZINC000194998410 1028567585 /nfs/dbraw/zinc/56/75/85/1028567585.db2.gz BMOIZXZXRIDZJV-KRWDZBQOSA-N 0 0 335.436 3.536 10 0 EHAERN Cc1cccc2c1OCC[C@H]2N[C@@H](c1cccs1)c1ncc[nH]1 ZINC000195129395 1028584702 /nfs/dbraw/zinc/58/47/02/1028584702.db2.gz LNJGDTDBVOTZLM-ZBFHGGJFSA-N 0 0 325.437 3.982 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246467328 1028585281 /nfs/dbraw/zinc/58/52/81/1028585281.db2.gz CPLFMUJEAAAYIO-BCUIYNNISA-N 0 0 337.822 3.610 10 0 EHAERN C[C@@H]1CCC[C@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000074514726 1028621857 /nfs/dbraw/zinc/62/18/57/1028621857.db2.gz NRBGGDQLSYVVRA-ZBFHGGJFSA-N 0 0 348.512 3.637 10 0 EHAERN Cc1ccc(C)c(NC(=O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195351423 1028635806 /nfs/dbraw/zinc/63/58/06/1028635806.db2.gz IVWULRXHRGNUNL-HNNXBMFYSA-N 0 0 329.469 3.578 10 0 EHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246669983 1028674710 /nfs/dbraw/zinc/67/47/10/1028674710.db2.gz MBHPIRHSBARKRN-LWYYNNOASA-N 0 0 327.468 3.941 10 0 EHAERN CCS[C@@H]1CCCCN([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000246709360 1028680347 /nfs/dbraw/zinc/68/03/47/1028680347.db2.gz ZKEZYPLMTYJVDQ-CHWSQXEVSA-N 0 0 341.908 3.670 10 0 EHAERN Cc1ccc([C@H]2CN([C@H](C)C(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000246739012 1028685018 /nfs/dbraw/zinc/68/50/18/1028685018.db2.gz OEWRIRVDBHZEEF-CXAGYDPISA-N 0 0 348.830 3.642 10 0 EHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245416648 1028704664 /nfs/dbraw/zinc/70/46/64/1028704664.db2.gz FIZSFGUWIQWOFN-XJKCOSOUSA-N 0 0 329.831 3.755 10 0 EHAERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CSCCS2)C1 ZINC000247057682 1028737091 /nfs/dbraw/zinc/73/70/91/1028737091.db2.gz OTFHBGUMBFFXMU-BYCMXARLSA-N 0 0 325.474 3.584 10 0 EHAERN CCOCc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000247081480 1028741534 /nfs/dbraw/zinc/74/15/34/1028741534.db2.gz VYLKNXCRFKKWAN-KZNAEPCWSA-N 0 0 344.455 3.692 10 0 EHAERN CCCCc1nc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000247078829 1028743472 /nfs/dbraw/zinc/74/34/72/1028743472.db2.gz QHICGCARKCNPRZ-ZIAGYGMSSA-N 0 0 335.473 3.562 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2ccncc2)C12CCCC2 ZINC000247266097 1028767901 /nfs/dbraw/zinc/76/79/01/1028767901.db2.gz RKPWEKXMKRKETO-DJIMGWMZSA-N 0 0 331.460 3.522 10 0 EHAERN COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)CC3)c2c1 ZINC000248326725 1028863835 /nfs/dbraw/zinc/86/38/35/1028863835.db2.gz CAFUEWKTWHDVMH-IGOJGBNBSA-N 0 0 336.435 3.838 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)CCO1 ZINC000248520059 1028882096 /nfs/dbraw/zinc/88/20/96/1028882096.db2.gz BDTXLKXIWDJWOP-NRSFXHEJSA-N 0 0 331.456 3.605 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000248607694 1028925326 /nfs/dbraw/zinc/92/53/26/1028925326.db2.gz DJLOHXBFSWNGIY-VFGMZZLHSA-N 0 0 333.387 3.658 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC000245613594 1028926887 /nfs/dbraw/zinc/92/68/87/1028926887.db2.gz LYYGDEUOPREKMB-XZUYRWCXSA-N 0 0 334.359 3.813 10 0 EHAERN CS[C@@H]1CCCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000153955974 1028964042 /nfs/dbraw/zinc/96/40/42/1028964042.db2.gz AGGKAVXUIOMMRP-CQSZACIVSA-N 0 0 331.485 3.548 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000248950615 1028971018 /nfs/dbraw/zinc/97/10/18/1028971018.db2.gz KDPZRTGLWQJSCS-RDJZCZTQSA-N 0 0 341.411 3.703 10 0 EHAERN Cc1ccccc1[C@@H]1CN(C(=O)N[C@H](C)c2ccncc2)[C@@H](C)CO1 ZINC000245656892 1028981442 /nfs/dbraw/zinc/98/14/42/1028981442.db2.gz CRIZSQSYUNNAAF-FCEWJHQRSA-N 0 0 339.439 3.623 10 0 EHAERN C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCCC1 ZINC000076506451 1029007039 /nfs/dbraw/zinc/00/70/39/1029007039.db2.gz XOIFRNGKWVFCRX-AWEZNQCLSA-N 0 0 348.512 3.685 10 0 EHAERN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C1(C)CC1 ZINC000154260939 1029077444 /nfs/dbraw/zinc/07/74/44/1029077444.db2.gz OGOCCLZSMZPZMH-FZMZJTMJSA-N 0 0 338.245 3.538 10 0 EHAERN c1csc([C@@H](N[C@@H]2CCCN(c3ccccc3)C2)c2ncc[nH]2)c1 ZINC000253355592 1029326791 /nfs/dbraw/zinc/32/67/91/1029326791.db2.gz UEIZWUVHQRPWMU-CRAIPNDOSA-N 0 0 338.480 3.819 10 0 EHAERN C[C@@]1(C(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1(Cl)Cl ZINC000078772571 1029439464 /nfs/dbraw/zinc/43/94/64/1029439464.db2.gz AHRKVIOXDFOPQW-HNNXBMFYSA-N 0 0 326.223 3.592 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)CCO2)o1 ZINC000246036112 1029591167 /nfs/dbraw/zinc/59/11/67/1029591167.db2.gz ADXXGFQBWZTTKO-MPGHIAIKSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000114777622 1029745845 /nfs/dbraw/zinc/74/58/45/1029745845.db2.gz QQOHNYRMJRLLJF-CQSZACIVSA-N 0 0 333.432 3.680 10 0 EHAERN O=C(c1ccc(Cl)nc1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089625150 1029955392 /nfs/dbraw/zinc/95/53/92/1029955392.db2.gz PKAGSMHKRGPQHS-AWEZNQCLSA-N 0 0 337.206 3.682 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)NC2CCC(CC)CC2)C1 ZINC000152373961 1030069146 /nfs/dbraw/zinc/06/91/46/1030069146.db2.gz NNDJJDRUUHINJY-OFLPRAFFSA-N 0 0 332.492 3.761 10 0 EHAERN Cc1cc(C)c(C(=O)NC2CCN(c3cccc(C)n3)CC2)c(C)c1 ZINC000090592758 1030147584 /nfs/dbraw/zinc/14/75/84/1030147584.db2.gz YDRXKQDJUFMTCA-UHFFFAOYSA-N 0 0 337.467 3.714 10 0 EHAERN CCc1nn(C)c(Cl)c1CN1CCC(c2nc(C)cs2)CC1 ZINC000092787310 1030517238 /nfs/dbraw/zinc/51/72/38/1030517238.db2.gz KBOUKFVZVVFGDI-UHFFFAOYSA-N 0 0 338.908 3.780 10 0 EHAERN O=C(CCC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccs1 ZINC000170890823 1030711386 /nfs/dbraw/zinc/71/13/86/1030711386.db2.gz LXFGRBBWVMUMGM-GFCCVEGCSA-N 0 0 334.466 3.574 10 0 EHAERN O=C(c1ccc(Cl)cc1F)N1CCC(Cc2ccccn2)CC1 ZINC000171615525 1030766066 /nfs/dbraw/zinc/76/60/66/1030766066.db2.gz AFRIHBGOQIOKCB-UHFFFAOYSA-N 0 0 332.806 3.969 10 0 EHAERN O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](c2nccs2)C1 ZINC000171645083 1030772717 /nfs/dbraw/zinc/77/27/17/1030772717.db2.gz RGYYKQRXFARZLM-INIZCTEOSA-N 0 0 337.448 3.954 10 0 EHAERN C[C@@H](CC1CCCC1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000172159448 1030844581 /nfs/dbraw/zinc/84/45/81/1030844581.db2.gz FEABLMHFUWLRCI-KRWDZBQOSA-N 0 0 348.531 3.844 10 0 EHAERN Cc1nn(C)c(Cl)c1CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000172159513 1030845048 /nfs/dbraw/zinc/84/50/48/1030845048.db2.gz HIBHKRXNWLYJNI-UHFFFAOYSA-N 0 0 336.842 3.598 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329487646 1030920206 /nfs/dbraw/zinc/92/02/06/1030920206.db2.gz GRURWSQDTBUSKH-OWYHZJEWSA-N 0 0 347.503 3.941 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ncccc3C)C2)cc1 ZINC000172637739 1030952221 /nfs/dbraw/zinc/95/22/21/1030952221.db2.gz KUKUVSIOLCNKLJ-GDBMZVCRSA-N 0 0 325.412 3.809 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H](C)CC3CCCC3)CC2)nc1 ZINC000157912822 1030962429 /nfs/dbraw/zinc/96/24/29/1030962429.db2.gz RGRACDKWCWCZQP-MRXNPFEDSA-N 0 0 329.488 3.691 10 0 EHAERN CC(C)(C(=O)Nc1cccc(-c2ncon2)c1)c1cccc(F)c1 ZINC000172512170 1030967655 /nfs/dbraw/zinc/96/76/55/1030967655.db2.gz GDWHJJUCEHQZBI-UHFFFAOYSA-N 0 0 325.343 3.792 10 0 EHAERN O=C(C1CCN(C(=O)C2CCCCCCC2)CC1)N1CCCCCC1 ZINC000172825539 1031004352 /nfs/dbraw/zinc/00/43/52/1031004352.db2.gz BWPFXWZXHHNNTA-UHFFFAOYSA-N 0 0 348.531 3.988 10 0 EHAERN Fc1ccc(-n2ccc(CN3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000173602855 1031119018 /nfs/dbraw/zinc/11/90/18/1031119018.db2.gz ONNOJOWHPOSBMB-AWEZNQCLSA-N 0 0 342.443 3.848 10 0 EHAERN Cn1cc(Cl)cc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174074669 1031164632 /nfs/dbraw/zinc/16/46/32/1031164632.db2.gz OBDDGZXULGCSBJ-UHFFFAOYSA-N 0 0 335.810 3.534 10 0 EHAERN Cc1nnc(-c2cccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2)o1 ZINC000174384647 1031209302 /nfs/dbraw/zinc/20/93/02/1031209302.db2.gz QOXUWHMHDDLBPN-CYBMUJFWSA-N 0 0 326.183 3.567 10 0 EHAERN O=C(c1ncncc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000175106195 1031277446 /nfs/dbraw/zinc/27/74/46/1031277446.db2.gz YEIYLZUMISXDGR-GFCCVEGCSA-N 0 0 344.827 3.717 10 0 EHAERN O=C(c1ncncc1Cl)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000175212419 1031312384 /nfs/dbraw/zinc/31/23/84/1031312384.db2.gz RZCAVWQOCUEHRB-INIZCTEOSA-N 0 0 340.814 3.979 10 0 EHAERN C[C@]1(C(=O)N2CCC(OCC3CCCC3)CC2)CC1(Cl)Cl ZINC000175600122 1031349520 /nfs/dbraw/zinc/34/95/20/1031349520.db2.gz MIIGFARWNLMECF-OAHLLOKOSA-N 0 0 334.287 3.768 10 0 EHAERN CC(C)[C@H](NC(=O)[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000176850979 1031494979 /nfs/dbraw/zinc/49/49/79/1031494979.db2.gz ZLNPGGPXESJHMJ-ZBFHGGJFSA-N 0 0 333.382 3.552 10 0 EHAERN Cc1ccc([C@@H]2CN(CC(=O)Nc3sc(C)c(C)c3C)CCO2)o1 ZINC000158674755 1031518902 /nfs/dbraw/zinc/51/89/02/1031518902.db2.gz KLTYZTIFGQCXOK-INIZCTEOSA-N 0 0 348.468 3.587 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1cccs1 ZINC000177423478 1031539311 /nfs/dbraw/zinc/53/93/11/1031539311.db2.gz XIOVSEOJFHGAQS-GDBMZVCRSA-N 0 0 346.500 3.906 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccccc2O)cc1 ZINC000177279080 1031553786 /nfs/dbraw/zinc/55/37/86/1031553786.db2.gz FBVKPVKZVDHIKS-INIZCTEOSA-N 0 0 343.448 3.857 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1cc(F)c(Cl)cc1Cl ZINC000178301753 1031651358 /nfs/dbraw/zinc/65/13/58/1031651358.db2.gz YNKVFGXKOVFOON-LSDHHAIUSA-N 0 0 340.181 3.521 10 0 EHAERN Cc1coc(-c2cc(NC(=O)c3ncncc3Cl)ccc2C)n1 ZINC000178158827 1031662106 /nfs/dbraw/zinc/66/21/06/1031662106.db2.gz KBHBFZWDHJZGIX-UHFFFAOYSA-N 0 0 328.759 3.654 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)CCO2)o1 ZINC000158910900 1031730304 /nfs/dbraw/zinc/73/03/04/1031730304.db2.gz BYFQNSMMISAKSX-GOSISDBHSA-N 0 0 342.370 3.956 10 0 EHAERN COCc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000179083464 1031731063 /nfs/dbraw/zinc/73/10/63/1031731063.db2.gz ZSUNIXVDDMENLX-QGZVFWFLSA-N 0 0 343.814 3.749 10 0 EHAERN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ncncc1Cl ZINC000179205140 1031758118 /nfs/dbraw/zinc/75/81/18/1031758118.db2.gz ZKPPCBIGWBCIPZ-SNVBAGLBSA-N 0 0 338.864 3.852 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179241135 1031761269 /nfs/dbraw/zinc/76/12/69/1031761269.db2.gz XNAQHFSMXZHJLD-AMIZOPFISA-N 0 0 343.326 3.770 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)Nc2nc(C)cs2)CC1 ZINC000102436871 1031762294 /nfs/dbraw/zinc/76/22/94/1031762294.db2.gz ODRABJSJWDUXPH-UHFFFAOYSA-N 0 0 345.468 3.947 10 0 EHAERN Cc1ccc2c(c1)OCCC[C@@H]2Nc1ccc(N2CCOCC2)nc1 ZINC000180043477 1031834333 /nfs/dbraw/zinc/83/43/33/1031834333.db2.gz HGSWGXTVGUGQJL-SFHVURJKSA-N 0 0 339.439 3.552 10 0 EHAERN COCCOc1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117720637 1031840980 /nfs/dbraw/zinc/84/09/80/1031840980.db2.gz MNYLAJSRVNGKBI-UHFFFAOYSA-N 0 0 343.448 3.703 10 0 EHAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCC(Cc2ccccn2)CC1 ZINC000180532967 1031884109 /nfs/dbraw/zinc/88/41/09/1031884109.db2.gz DNLLJTWHYRBHIA-UHFFFAOYSA-N 0 0 347.462 3.977 10 0 EHAERN Cc1cc(NC(=O)N[C@@H](C)c2ccncc2)nn1-c1cccc(F)c1 ZINC000180738539 1031903542 /nfs/dbraw/zinc/90/35/42/1031903542.db2.gz FSKSXFZGAYPTOV-ZDUSSCGKSA-N 0 0 339.374 3.598 10 0 EHAERN Cc1noc(Cl)c1CCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117857454 1031911534 /nfs/dbraw/zinc/91/15/34/1031911534.db2.gz XGDOHNKEFIDSTJ-UHFFFAOYSA-N 0 0 336.844 3.946 10 0 EHAERN Cc1ccnc2c1NC(=O)CN2C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000180863172 1031917001 /nfs/dbraw/zinc/91/70/01/1031917001.db2.gz MZKHLZAPCQDLTB-CQSZACIVSA-N 0 0 345.402 3.632 10 0 EHAERN C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000181209552 1031955548 /nfs/dbraw/zinc/95/55/48/1031955548.db2.gz GGNBJEPUVWEDAW-HKUYNNGSSA-N 0 0 325.456 3.533 10 0 EHAERN C/C(=C\c1ccc(C)cc1)C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000181315958 1031971537 /nfs/dbraw/zinc/97/15/37/1031971537.db2.gz RCDISTHGLABAKB-VMEIHUARSA-N 0 0 338.455 3.765 10 0 EHAERN C[C@@H](SCc1nc(N)c2ccccc2n1)c1nc(C(C)(C)C)no1 ZINC000105624861 1033487323 /nfs/dbraw/zinc/48/73/23/1033487323.db2.gz NVYINTLSHRDWFV-SNVBAGLBSA-N 0 0 343.456 3.887 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000083013891 1033841124 /nfs/dbraw/zinc/84/11/24/1033841124.db2.gz DXTNJXORPFIVSJ-SGTLLEGYSA-N 0 0 342.464 3.545 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000084231447 1033911101 /nfs/dbraw/zinc/91/11/01/1033911101.db2.gz BTDVXXARMIKTIK-XHDPSFHLSA-N 0 0 327.346 3.742 10 0 EHAERN O=C1NCCCC[C@@H]1SCc1csc(CCc2ccccc2)n1 ZINC000084504864 1033915531 /nfs/dbraw/zinc/91/55/31/1033915531.db2.gz GQQISZJYIYRMBV-INIZCTEOSA-N 0 0 346.521 3.830 10 0 EHAERN Cc1csc(C2CCN(C(=O)CCO[C@@H](C)CC(C)C)CC2)n1 ZINC000087253398 1034124021 /nfs/dbraw/zinc/12/40/21/1034124021.db2.gz KUDCMPXPODHYTN-HNNXBMFYSA-N 0 0 338.517 3.999 10 0 EHAERN CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(c3cnn(C)c3)CC2)C1 ZINC000159046231 1034132806 /nfs/dbraw/zinc/13/28/06/1034132806.db2.gz ZEMIMYMSVRTRBM-FUHWJXTLSA-N 0 0 332.492 3.524 10 0 EHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000121308170 1034816134 /nfs/dbraw/zinc/81/61/34/1034816134.db2.gz WNLYTMHJDNWHIF-JWUWVAEESA-N 0 0 329.440 3.515 10 0 EHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(O)(c2ccccc2)CC1 ZINC000185639422 1035506790 /nfs/dbraw/zinc/50/67/90/1035506790.db2.gz VGGPOTPCYIASRT-UHFFFAOYSA-N 0 0 347.890 3.681 10 0 EHAERN CC(=O)Nc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186063216 1035574460 /nfs/dbraw/zinc/57/44/60/1035574460.db2.gz YQJNCCNINYMOMD-OAHLLOKOSA-N 0 0 346.434 3.953 10 0 EHAERN COc1ccc2c(c1)[C@H](NCc1ncc(-c3ccccc3)cn1)CC2 ZINC000186058994 1035575278 /nfs/dbraw/zinc/57/52/78/1035575278.db2.gz QVVIWZPXHKCPDM-HXUWFJFHSA-N 0 0 331.419 3.929 10 0 EHAERN CCC[C@H](Nc1cccc2c1CCN2C(=O)COC)c1ccccn1 ZINC000186600790 1035665433 /nfs/dbraw/zinc/66/54/33/1035665433.db2.gz BSLHSLUWICZZAH-SFHVURJKSA-N 0 0 339.439 3.570 10 0 EHAERN C[C@H]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186666963 1035682002 /nfs/dbraw/zinc/68/20/02/1035682002.db2.gz ROZBJZMRDFMLRM-STQMWFEESA-N 0 0 330.432 3.612 10 0 EHAERN COc1cnccc1[C@@H](C)NCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000187087767 1035771034 /nfs/dbraw/zinc/77/10/34/1035771034.db2.gz KBGNTGSSRASVGS-LLVKDONJSA-N 0 0 345.349 3.874 10 0 EHAERN CCc1cnc(CN(C)C(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000188600319 1035930397 /nfs/dbraw/zinc/93/03/97/1035930397.db2.gz JSQGOEHTSSGFGX-HNNXBMFYSA-N 0 0 345.468 3.679 10 0 EHAERN Fc1ccccc1-n1ccc(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000188921040 1035985822 /nfs/dbraw/zinc/98/58/22/1035985822.db2.gz OKDHWRYOAQACAF-AWEZNQCLSA-N 0 0 342.443 3.848 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NCc1cn2cc(Cl)ccc2n1 ZINC000188951289 1036018017 /nfs/dbraw/zinc/01/80/17/1036018017.db2.gz BHKGFQDHZPAYCR-INIZCTEOSA-N 0 0 327.815 3.910 10 0 EHAERN COCOc1ccc(OC)cc1CN[C@H]1CCOc2c(C)cccc21 ZINC000188948443 1036018093 /nfs/dbraw/zinc/01/80/93/1036018093.db2.gz OMEDNGZWDAPXGM-SFHVURJKSA-N 0 0 343.423 3.600 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)cc1 ZINC000189104240 1036038852 /nfs/dbraw/zinc/03/88/52/1036038852.db2.gz TXJBFTRPUGLPSP-UHFFFAOYSA-N 0 0 346.430 3.673 10 0 EHAERN C[C@H]1C[C@H](Nc2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000302128766 1036065196 /nfs/dbraw/zinc/06/51/96/1036065196.db2.gz YDKSTGGXFOIXTL-GOEBONIOSA-N 0 0 346.471 3.959 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000189649552 1036105876 /nfs/dbraw/zinc/10/58/76/1036105876.db2.gz NTOWIEIWSJNDAV-UHFFFAOYSA-N 0 0 335.411 3.531 10 0 EHAERN O=C([C@@H]1CCOc2ccccc21)N1CC2(CCOCC2)c2ccccc21 ZINC000189807924 1036146870 /nfs/dbraw/zinc/14/68/70/1036146870.db2.gz CRVLXWGULFWHSW-QGZVFWFLSA-N 0 0 349.430 3.648 10 0 EHAERN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)nc1C ZINC000190280638 1036216878 /nfs/dbraw/zinc/21/68/78/1036216878.db2.gz BKJUIAIHYXNYFG-CQSZACIVSA-N 0 0 345.393 3.700 10 0 EHAERN Cc1ccc(CNC(=O)N2CCC(Nc3nccs3)CC2)c(C)c1 ZINC000190345482 1036227348 /nfs/dbraw/zinc/22/73/48/1036227348.db2.gz YCKWGVVEABISLU-UHFFFAOYSA-N 0 0 344.484 3.546 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2ccn(C3CCCC3)n2)n1 ZINC000190401803 1036233855 /nfs/dbraw/zinc/23/38/55/1036233855.db2.gz GQIJTUWXUYHPPG-ZFWWWQNUSA-N 0 0 330.432 3.967 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(COc2ccc(F)cc2F)n1 ZINC000190392512 1036236147 /nfs/dbraw/zinc/23/61/47/1036236147.db2.gz NVVAXGCJFKDMDA-NHYWBVRUSA-N 0 0 338.354 3.845 10 0 EHAERN O=C([C@@H]1CC1(Cl)Cl)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191207129 1036347704 /nfs/dbraw/zinc/34/77/04/1036347704.db2.gz ZBLGEWUWTOGQPA-SKDRFNHKSA-N 0 0 334.193 3.865 10 0 EHAERN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000191217271 1036351030 /nfs/dbraw/zinc/35/10/30/1036351030.db2.gz SDBKYNXBZYGYBJ-ICSRJNTNSA-N 0 0 348.446 3.980 10 0 EHAERN CSC1(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC000191636235 1036399982 /nfs/dbraw/zinc/39/99/82/1036399982.db2.gz KWYDCHFKEQNDMN-OAHLLOKOSA-N 0 0 341.480 3.678 10 0 EHAERN COCc1ccc(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000192545843 1036527212 /nfs/dbraw/zinc/52/72/12/1036527212.db2.gz WHXHCZHTRYHHNB-CXAGYDPISA-N 0 0 326.396 3.519 10 0 EHAERN COc1cccc(CN[C@H](c2noc(C)n2)c2ccccc2F)c1F ZINC000192684222 1036536138 /nfs/dbraw/zinc/53/61/38/1036536138.db2.gz QRIPGWFJQZRJLH-KRWDZBQOSA-N 0 0 345.349 3.544 10 0 EHAERN C[C@H](c1ccccc1)N(C)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193248879 1036584364 /nfs/dbraw/zinc/58/43/64/1036584364.db2.gz MYEVRKIJGREETP-RHSMWYFYSA-N 0 0 337.423 3.515 10 0 EHAERN OC1(c2ccccc2Cl)CCN(Cc2cn3ccsc3n2)CC1 ZINC000193134533 1036587673 /nfs/dbraw/zinc/58/76/73/1036587673.db2.gz BVBFDQVJDJEDTA-UHFFFAOYSA-N 0 0 347.871 3.533 10 0 EHAERN CC1(C)CCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000102918299 1036792691 /nfs/dbraw/zinc/79/26/91/1036792691.db2.gz FQJZGDDCLYPXTE-UHFFFAOYSA-N 0 0 343.496 3.914 10 0 EHAERN CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000103010566 1036800130 /nfs/dbraw/zinc/80/01/30/1036800130.db2.gz NESAQLBMVVKGEG-UHFFFAOYSA-N 0 0 344.386 3.567 10 0 EHAERN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC3(C)C)ccc21 ZINC000103085816 1036836885 /nfs/dbraw/zinc/83/68/85/1036836885.db2.gz PAAYLWNXQQGKRM-UHFFFAOYSA-N 0 0 328.456 3.919 10 0 EHAERN CC(=O)c1cccc(NC(=O)C=Cc2ccc(Br)o2)c1 ZINC000003611488 1036858434 /nfs/dbraw/zinc/85/84/34/1036858434.db2.gz YXJDIUFVELSZTP-SOFGYWHQSA-N 0 0 334.169 3.897 10 0 EHAERN COc1ccc([C@@H](CC(=O)NCCCCC(C)(C)C)NC(C)=O)cc1 ZINC000104439838 1037040380 /nfs/dbraw/zinc/04/03/80/1037040380.db2.gz WLKSSCWWGJEFRU-GOSISDBHSA-N 0 0 348.487 3.595 10 0 EHAERN O=C(c1cccc2ccccc21)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000104525748 1037055658 /nfs/dbraw/zinc/05/56/58/1037055658.db2.gz LXNNHCSXZRZHSP-IAGOWNOFSA-N 0 0 341.476 3.967 10 0 EHAERN O=C(NCc1cnn(-c2ccccc2)c1)Nc1cc(F)c(F)cc1F ZINC000105046512 1037142877 /nfs/dbraw/zinc/14/28/77/1037142877.db2.gz CLTPXWYWABODHS-UHFFFAOYSA-N 0 0 346.312 3.611 10 0 EHAERN Fc1ccccc1-c1nc(SCc2nc(-c3ccoc3)no2)n[nH]1 ZINC000105571532 1037213496 /nfs/dbraw/zinc/21/34/96/1037213496.db2.gz YFQOSBPBFBRSPQ-UHFFFAOYSA-N 0 0 343.343 3.546 10 0 EHAERN Cc1cc(CSCC(=O)N(C)[C@H]2CCCc3ccccc32)no1 ZINC000105626287 1037226816 /nfs/dbraw/zinc/22/68/16/1037226816.db2.gz SPMWCHTYQRZCNL-KRWDZBQOSA-N 0 0 330.453 3.752 10 0 EHAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(-c2ccccc2)cc1 ZINC000105677224 1037238337 /nfs/dbraw/zinc/23/83/37/1037238337.db2.gz PKKNTBSEQMPFNM-XMMPIXPASA-N 0 0 343.492 3.907 10 0 EHAERN CCOc1ccc(CNC(=O)[C@H](OCC)c2ccccc2)cc1F ZINC000105984588 1037289812 /nfs/dbraw/zinc/28/98/12/1037289812.db2.gz PLHUNHSFEFMKHF-GOSISDBHSA-N 0 0 331.387 3.618 10 0 EHAERN CN(C)C(=O)c1cccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000102979598 1037585951 /nfs/dbraw/zinc/58/59/51/1037585951.db2.gz LELHYEVLXRFCDL-LJQANCHMSA-N 0 0 348.402 3.501 10 0 EHAERN C[N@@H+]1Cc2ccc(N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2C1 ZINC000111372906 1037733601 /nfs/dbraw/zinc/73/36/01/1037733601.db2.gz VLVROEQJWPLYAY-KRWDZBQOSA-N 0 0 341.842 3.503 10 0 EHAERN CCCSCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218829 1037778641 /nfs/dbraw/zinc/77/86/41/1037778641.db2.gz JJZDREFDNMSMBJ-INIZCTEOSA-N 0 0 343.496 3.926 10 0 EHAERN Cc1ccc(NC(=O)Cc2noc([C@@H]3Oc4ccccc4[C@@H]3C)n2)cc1 ZINC000118165405 1037869621 /nfs/dbraw/zinc/86/96/21/1037869621.db2.gz DRDDKXCHZMKVMY-ORAYPTAESA-N 0 0 349.390 3.796 10 0 EHAERN Nc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000119198512 1037887989 /nfs/dbraw/zinc/88/79/89/1037887989.db2.gz BTHQRFNMUAAQJZ-UHFFFAOYSA-N 0 0 343.333 3.773 10 0 EHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCO[C@H](c2ccco2)C1 ZINC000119212832 1037891801 /nfs/dbraw/zinc/89/18/01/1037891801.db2.gz LMVVQPIPLCALGF-WMZOPIPTSA-N 0 0 344.386 3.579 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@H]1C1CCCCC1)CCC2 ZINC000332686452 1037950484 /nfs/dbraw/zinc/95/04/84/1037950484.db2.gz NWUFWEDNKLAQIP-MSOLQXFVSA-N 0 0 344.503 3.823 10 0 EHAERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000332820774 1037958136 /nfs/dbraw/zinc/95/81/36/1037958136.db2.gz ALYZBDVBTURSGG-NBOOPKSLSA-N 0 0 346.471 3.745 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc2ccccc2c1 ZINC000332949429 1037966578 /nfs/dbraw/zinc/96/65/78/1037966578.db2.gz SXMTVHJHQGIOGI-FOIQADDNSA-N 0 0 326.440 3.847 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000123531392 1038031262 /nfs/dbraw/zinc/03/12/62/1038031262.db2.gz VHZKOBOJDFDUMN-ZBFHGGJFSA-N 0 0 325.412 3.809 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(F)c(Cl)cc3F)CCO2)o1 ZINC000124723576 1038226162 /nfs/dbraw/zinc/22/61/62/1038226162.db2.gz KATSRHZOTOORCE-HNNXBMFYSA-N 0 0 341.741 3.733 10 0 EHAERN CCC1(CO)CCN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000124618111 1039009176 /nfs/dbraw/zinc/00/91/76/1039009176.db2.gz ONSZJWIZGCPJHW-QAPCUYQASA-N 0 0 330.472 3.819 10 0 EHAERN CC1(C)[C@H](NC(=O)NCc2cc(Cl)sc2Cl)[C@@H]2CCO[C@H]21 ZINC000408084444 1039058316 /nfs/dbraw/zinc/05/83/16/1039058316.db2.gz PTYJEWMPRPZCES-JMJZKYOTSA-N 0 0 349.283 3.668 10 0 EHAERN NC(=O)N1CCc2cc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)ccc21 ZINC000245925007 1039486776 /nfs/dbraw/zinc/48/67/76/1039486776.db2.gz PHWOIDSNKPHLOL-IJEWVQPXSA-N 0 0 341.455 3.673 10 0 EHAERN O=C(c1cnc(-c2ccsc2)s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151187021 1039847799 /nfs/dbraw/zinc/84/77/99/1039847799.db2.gz AGYGECYWMAETBP-GUYCJALGSA-N 0 0 348.493 3.639 10 0 EHAERN CC(C)c1csc([C@@H]2CCCN(S(=O)(=O)CC(C)(C)C)C2)n1 ZINC000408429951 1040029948 /nfs/dbraw/zinc/02/99/48/1040029948.db2.gz NMILAQWWADCSES-CYBMUJFWSA-N 0 0 344.546 3.822 10 0 EHAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151508889 1040194683 /nfs/dbraw/zinc/19/46/83/1040194683.db2.gz JZMDGTQDQYKXKL-LIRRHRJNSA-N 0 0 346.858 3.517 10 0 EHAERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332943372 1040213910 /nfs/dbraw/zinc/21/39/10/1040213910.db2.gz MWAPVHQINUUHIL-CVAIRZPRSA-N 0 0 346.446 3.540 10 0 EHAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000120020005 1040362835 /nfs/dbraw/zinc/36/28/35/1040362835.db2.gz XMJLMJUBHVNGIP-QAPCUYQASA-N 0 0 341.455 3.719 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CCO[C@H](C(C)(C)C)C2)c1 ZINC000408450106 1041081936 /nfs/dbraw/zinc/08/19/36/1041081936.db2.gz FUFNWEGQXQDLMP-INIZCTEOSA-N 0 0 327.428 3.822 10 0 EHAERN O=C(NC1CC1)c1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)ccc1Cl ZINC000333039629 1041099489 /nfs/dbraw/zinc/09/94/89/1041099489.db2.gz ZACDEVQRIIKREN-BZNIZROVSA-N 0 0 347.846 3.639 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106524564 1041720795 /nfs/dbraw/zinc/72/07/95/1041720795.db2.gz ZRZVCSYDRUDHLI-YNEHKIRRSA-N 0 0 344.381 3.767 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(C)(CO)CC1 ZINC000184894206 1042622984 /nfs/dbraw/zinc/62/29/84/1042622984.db2.gz GBKJYTMOOYOKBF-KRWDZBQOSA-N 0 0 330.472 3.504 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2ccc(F)cc2F)c2ccccc2)[nH]1 ZINC000162507810 1042735384 /nfs/dbraw/zinc/73/53/84/1042735384.db2.gz ICWGDIIOLCTWOH-PIGZYNQJSA-N 0 0 328.366 3.832 10 0 EHAERN COc1ccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162511089 1042736064 /nfs/dbraw/zinc/73/60/64/1042736064.db2.gz QIJQUBXPFDJMNY-XIKOKIGWSA-N 0 0 340.402 3.701 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c2ccccc21 ZINC000153144933 1042778408 /nfs/dbraw/zinc/77/84/08/1042778408.db2.gz FMRXNFKTINVCTE-MDASCCDHSA-N 0 0 338.455 3.905 10 0 EHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 ZINC000408233123 1042812270 /nfs/dbraw/zinc/81/22/70/1042812270.db2.gz RXDYQIXMGCDGKQ-CYBMUJFWSA-N 0 0 346.500 3.502 10 0 EHAERN CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@@H]1O ZINC000408254046 1042869730 /nfs/dbraw/zinc/86/97/30/1042869730.db2.gz BOCDJEYUWOKPGC-CABZTGNLSA-N 0 0 346.258 3.649 10 0 EHAERN C[C@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1cccc(F)c1 ZINC000162686894 1043199401 /nfs/dbraw/zinc/19/94/01/1043199401.db2.gz HTJCAVSTSTXALG-OAHLLOKOSA-N 0 0 343.446 3.534 10 0 EHAERN Cc1nc(-c2ccccc2)sc1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000184485635 1132410562 /nfs/dbraw/zinc/41/05/62/1132410562.db2.gz NIKXMWKAKKEFHM-GJZGRUSLSA-N 0 0 345.468 3.791 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@H](C)[C@H]2CCCO2)cs1 ZINC000189202543 1132443283 /nfs/dbraw/zinc/44/32/83/1132443283.db2.gz GJDPKNFFKOOSKJ-IUODEOHRSA-N 0 0 331.441 3.808 10 0 EHAERN O=C(Nc1nc2c(s1)CCCC2)N[C@H]1CCOc2ccccc21 ZINC000192604782 1132474783 /nfs/dbraw/zinc/47/47/83/1132474783.db2.gz OEZGQLYZLNRJNC-LBPRGKRZSA-N 0 0 329.425 3.667 10 0 EHAERN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1cccc2ncccc21 ZINC000103045431 1132644943 /nfs/dbraw/zinc/64/49/43/1132644943.db2.gz FLJJQVMQMFZILF-UHFFFAOYSA-N 0 0 346.386 3.690 10 0 EHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1cc(Cl)ccc1F ZINC000103567864 1134768772 /nfs/dbraw/zinc/76/87/72/1134768772.db2.gz LGZVNGPJYCMLEG-UHFFFAOYSA-N 0 0 345.802 3.515 10 0 EHAERN O=C(CC1CCCCC1)NC1CCC(C(=O)OCC(F)(F)F)CC1 ZINC000101709521 1135378644 /nfs/dbraw/zinc/37/86/44/1135378644.db2.gz IOAVPURSWMPEJD-UHFFFAOYSA-N 0 0 349.393 3.737 10 0 EHAERN CCOc1ccccc1[C@@H](CC(=O)OC[C@H]1CC=CCC1)NC(C)=O ZINC000102907839 1135691680 /nfs/dbraw/zinc/69/16/80/1135691680.db2.gz DFEWJNCGUPHESE-FUHWJXTLSA-N 0 0 345.439 3.552 10 0 EHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CCC(n2ccnc2)CC1 ZINC000101950653 1137872292 /nfs/dbraw/zinc/87/22/92/1137872292.db2.gz RHFXRGRAGXEVEP-UHFFFAOYSA-N 0 0 340.814 3.562 10 0 EHAERN O=C(NCCCCOCc1ccccc1)N1CCC[C@H]1C1CCC1 ZINC000102905261 1137874570 /nfs/dbraw/zinc/87/45/70/1137874570.db2.gz ZGPIFWCECMRJGO-IBGZPJMESA-N 0 0 330.472 3.958 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)[C@@H](C)c3cccnc3)c21 ZINC000103317580 1137875962 /nfs/dbraw/zinc/87/59/62/1137875962.db2.gz CDNZALXBPSOIGS-HNNXBMFYSA-N 0 0 336.439 3.816 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)cc1 ZINC000333350512 1138279887 /nfs/dbraw/zinc/27/98/87/1138279887.db2.gz BAOZNWFPDWGOAK-XLAORIBOSA-N 0 0 339.439 3.575 10 0 EHAERN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)C2)[nH]n1 ZINC000333550416 1138303164 /nfs/dbraw/zinc/30/31/64/1138303164.db2.gz UMBKGZNGYWGVAV-SQNIBIBYSA-N 0 0 344.503 3.824 10 0 EHAERN CC[C@H](C)c1ccc(NC(=O)CN2NC(=O)CC23CCCCC3)cc1 ZINC000333871219 1138341632 /nfs/dbraw/zinc/34/16/32/1138341632.db2.gz PHGOUXBGUHJETP-HNNXBMFYSA-N 0 0 343.471 3.578 10 0 EHAERN CCCCOc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000184556062 1140108664 /nfs/dbraw/zinc/10/86/64/1140108664.db2.gz SEIVGYJBZIIOKO-MRXNPFEDSA-N 0 0 343.431 3.743 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(Br)o2)cs1 ZINC000187033184 1140234040 /nfs/dbraw/zinc/23/40/40/1140234040.db2.gz ILFDBBBQSXWDSI-JTQLQIEISA-N 0 0 341.230 3.784 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)cs1 ZINC000187099040 1140237976 /nfs/dbraw/zinc/23/79/76/1140237976.db2.gz GVJGQFVRBWNNSJ-ZDUSSCGKSA-N 0 0 346.481 3.685 10 0 EHAERN CCOc1ccc(CC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187096372 1140238093 /nfs/dbraw/zinc/23/80/93/1140238093.db2.gz HBQQKCLDNNGVRU-KRWDZBQOSA-N 0 0 330.453 3.756 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCCCOC(C)C)cs1 ZINC000187436448 1140255769 /nfs/dbraw/zinc/25/57/69/1140255769.db2.gz WHUNYYQAJKRBMX-HNNXBMFYSA-N 0 0 325.478 3.503 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cs1 ZINC000188003548 1140279591 /nfs/dbraw/zinc/27/95/91/1140279591.db2.gz ZVSYXKNLXSMBKC-ZDUSSCGKSA-N 0 0 342.873 3.631 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(-c3cccs3)n[nH]2)cs1 ZINC000188120895 1140284434 /nfs/dbraw/zinc/28/44/34/1140284434.db2.gz MLBCRUJUYKYYKH-AWEZNQCLSA-N 0 0 344.465 3.880 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)cs1 ZINC000189746991 1140362485 /nfs/dbraw/zinc/36/24/85/1140362485.db2.gz ACYGXIQCEDZCSS-KRWDZBQOSA-N 0 0 329.469 3.844 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000190153960 1140389223 /nfs/dbraw/zinc/38/92/23/1140389223.db2.gz BGGZVYSTNGBOCS-KBPBESRZSA-N 0 0 342.226 3.647 10 0 EHAERN Cc1c(C(=O)NCc2cccc(Cl)c2)oc2c1-c1n[nH]cc1CC2 ZINC000006748352 201694492 /nfs/dbraw/zinc/69/44/92/201694492.db2.gz RZGHKUORAGTBKM-UHFFFAOYSA-N 0 0 341.798 3.660 10 0 EHAERN COC1(OC)CC(c2nc3ccc(Br)cc3s2)C1 ZINC000230400670 536697603 /nfs/dbraw/zinc/69/76/03/536697603.db2.gz ZDLACMQUWJHBSC-UHFFFAOYSA-N 0 0 328.231 3.925 10 0 EHAERN COc1cccc(OCCCn2c3ccccc3nc2C(C)(C)O)c1 ZINC000008786009 201762807 /nfs/dbraw/zinc/76/28/07/201762807.db2.gz PBIGSUIPKSQKHE-UHFFFAOYSA-N 0 0 340.423 3.741 10 0 EHAERN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(C)c2C)cc1 ZINC000012403329 201845219 /nfs/dbraw/zinc/84/52/19/201845219.db2.gz GGNRREMJPYPKEC-FMIVXFBMSA-N 0 0 340.448 3.838 10 0 EHAERN Cc1cc(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)c(C)o1 ZINC000012437442 201846802 /nfs/dbraw/zinc/84/68/02/201846802.db2.gz PDBABBGEUXGJOK-GOSISDBHSA-N 0 0 348.406 3.556 10 0 EHAERN CCOc1nc(Nc2ccc(Br)cc2F)ccc1N ZINC000037067326 201872341 /nfs/dbraw/zinc/87/23/41/201872341.db2.gz PQNYTWFGURHARZ-UHFFFAOYSA-N 0 0 326.169 3.708 10 0 EHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C)ccc2OC)c1 ZINC000003567229 210057065 /nfs/dbraw/zinc/05/70/65/210057065.db2.gz ZFXJHCGUOLQFJV-UXBLZVDNSA-N 0 0 327.380 3.673 10 0 EHAERN CC(=O)NCc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000040274079 213287098 /nfs/dbraw/zinc/28/70/98/213287098.db2.gz SILLUANVFSWLEY-UHFFFAOYSA-N 0 0 335.451 3.954 10 0 EHAERN CN(Cc1cc(Br)cs1)C(=O)c1cc(F)ccc1N ZINC000037814089 202040643 /nfs/dbraw/zinc/04/06/43/202040643.db2.gz VUEOMRAJDOXNBC-UHFFFAOYSA-N 0 0 343.221 3.504 10 0 EHAERN C=C1C(Nc2ccccc2F)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465431 202044038 /nfs/dbraw/zinc/04/40/38/202044038.db2.gz QNKHWUKAJFCCCY-UHFFFAOYSA-N 0 0 330.384 3.719 10 0 EHAERN CC(C)NC(=O)CNc1c(Cl)cc(Br)cc1Cl ZINC000020505927 202046993 /nfs/dbraw/zinc/04/69/93/202046993.db2.gz GIXOSXZWZOTQQK-UHFFFAOYSA-N 0 0 340.048 3.692 10 0 EHAERN CCN(Cc1ccc(Br)s1)C(=O)c1c(C)n[nH]c1C ZINC000037841076 202047066 /nfs/dbraw/zinc/04/70/66/202047066.db2.gz BGHBIMPZEWNVAI-UHFFFAOYSA-N 0 0 342.262 3.513 10 0 EHAERN COc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c(OC)c1 ZINC000020575373 202049385 /nfs/dbraw/zinc/04/93/85/202049385.db2.gz VCZSIGWYBNHLRN-UHFFFAOYSA-N 0 0 347.374 3.986 10 0 EHAERN CCOC(=O)c1nc2onc(C)c2c(Nc2ccc(C)c(Cl)c2)n1 ZINC000021646326 202066886 /nfs/dbraw/zinc/06/68/86/202066886.db2.gz KKSZKLXDWPQIDI-UHFFFAOYSA-N 0 0 346.774 3.808 10 0 EHAERN Nc1cc2c(cc1Oc1ccc(Cl)c(Cl)c1)NC(=O)CO2 ZINC000038001321 202080348 /nfs/dbraw/zinc/08/03/48/202080348.db2.gz XVRSHQKTJVPJFH-UHFFFAOYSA-N 0 0 325.151 3.699 10 0 EHAERN CCSCCNC(=O)c1sc2cc3c(cc2c1Cl)OCO3 ZINC000022623514 202088641 /nfs/dbraw/zinc/08/86/41/202088641.db2.gz MSHNQPFDYYAYOC-UHFFFAOYSA-N 0 0 343.857 3.766 10 0 EHAERN COc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1 ZINC000023551842 202106422 /nfs/dbraw/zinc/10/64/22/202106422.db2.gz PVPYMRCQNHPCRD-LLVKDONJSA-N 0 0 327.409 3.691 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)Cn1c(=O)cc(C)c2ccccc21 ZINC000032530297 202226522 /nfs/dbraw/zinc/22/65/22/202226522.db2.gz GBALMWDGUZNLQR-UHFFFAOYSA-N 0 0 340.810 3.910 10 0 EHAERN Cc1ccccc1NC(=O)CCn1c(=O)cc(C)c2cccc(C)c21 ZINC000032526913 202226535 /nfs/dbraw/zinc/22/65/35/202226535.db2.gz JEPQQRNYDLEWFO-UHFFFAOYSA-N 0 0 334.419 3.956 10 0 EHAERN CCN(C(=O)/C=C\c1cc(OC)c(OC)c(OC)c1)C1CCCCC1 ZINC000033935951 202271095 /nfs/dbraw/zinc/27/10/95/202271095.db2.gz FRWRJYVUQDKVPZ-QXMHVHEDSA-N 0 0 347.455 3.907 10 0 EHAERN COc1cccc(C(=O)c2ccc(I)cc2)c1 ZINC000036941493 202334626 /nfs/dbraw/zinc/33/46/26/202334626.db2.gz PTUGZRKLKXXQCI-UHFFFAOYSA-N 0 0 338.144 3.531 10 0 EHAERN COc1ccc(Br)cc1[C@H](N)C(F)(F)C(F)(F)F ZINC000037034638 202335147 /nfs/dbraw/zinc/33/51/47/202335147.db2.gz OTGYAXZWHOGQMT-QMMMGPOBSA-N 0 0 334.082 3.655 10 0 EHAERN Cc1ccsc1C(=O)Nc1c(C)cc(Br)cc1N ZINC000036738960 202330060 /nfs/dbraw/zinc/33/00/60/202330060.db2.gz CQXWWSQIHIDXJP-UHFFFAOYSA-N 0 0 325.231 3.962 10 0 EHAERN C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000036758443 202331037 /nfs/dbraw/zinc/33/10/37/202331037.db2.gz LUIQMKOQDDNFBS-LLVKDONJSA-N 0 0 349.333 3.550 10 0 EHAERN Cc1cc(S(=O)(=O)NC2CCC(C)CC2)ccc1Br ZINC000037382509 202340514 /nfs/dbraw/zinc/34/05/14/202340514.db2.gz CZVNYXAPWLMEDO-UHFFFAOYSA-N 0 0 346.290 3.615 10 0 EHAERN CCC1CCC(Nc2ccccc2Br)(C(N)=O)CC1 ZINC000037944104 202379472 /nfs/dbraw/zinc/37/94/72/202379472.db2.gz NGTIDWLERDAWOZ-UHFFFAOYSA-N 0 0 325.250 3.685 10 0 EHAERN CCN(C(=O)c1cc(Br)ccc1Cl)[C@H](C)COC ZINC000037983965 202383085 /nfs/dbraw/zinc/38/30/85/202383085.db2.gz KACKRYDCEFTWEU-SECBINFHSA-N 0 0 334.641 3.600 10 0 EHAERN C/C=C/C(=O)NCCc1nc2ccccc2n1CCc1ccccc1 ZINC000040203486 202429690 /nfs/dbraw/zinc/42/96/90/202429690.db2.gz FIKJAUVPRDHMIM-KRXBUXKQSA-N 0 0 333.435 3.514 10 0 EHAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)C1CCCCC1)C(C)C ZINC000041778112 202487604 /nfs/dbraw/zinc/48/76/04/202487604.db2.gz CDXPVABIFLXCJP-GOSISDBHSA-N 0 0 330.472 3.541 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3cccc(F)c3C)n2)cc1 ZINC000057341879 201139295 /nfs/dbraw/zinc/13/92/95/201139295.db2.gz SFZJKXXURPSCQK-UHFFFAOYSA-N 0 0 325.343 3.637 10 0 EHAERN COc1cccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3Cl)n2)c1 ZINC000057341686 201139307 /nfs/dbraw/zinc/13/93/07/201139307.db2.gz LLAIMACFKANCEA-UHFFFAOYSA-N 0 0 345.761 3.982 10 0 EHAERN Cc1csc(C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000078489562 201188213 /nfs/dbraw/zinc/18/82/13/201188213.db2.gz GWVQJXWLWPXBBO-FMIVXFBMSA-N 0 0 348.493 3.632 10 0 EHAERN Clc1nc(NCc2ccccc2)nn2c(Br)ccc12 ZINC000261506990 201193692 /nfs/dbraw/zinc/19/36/92/201193692.db2.gz DFXNVAHFCDMLEM-UHFFFAOYSA-N 0 0 337.608 3.757 10 0 EHAERN Nc1c(C=O)c(-c2ccc(Br)cc2)nn1-c1ccccc1 ZINC000006665193 201363545 /nfs/dbraw/zinc/36/35/45/201363545.db2.gz DGBCRMPUOLMWHW-UHFFFAOYSA-N 0 0 342.196 3.697 10 0 EHAERN COc1cc(-c2cnc(OC)c3cccc(O)c32)cc(OC)c1OC ZINC000090526157 201371561 /nfs/dbraw/zinc/37/15/61/201371561.db2.gz FVOWCPGAMSXODY-UHFFFAOYSA-N 0 0 341.363 3.642 10 0 EHAERN O=C1C[C@H](c2nc(-c3cccs3)no2)CN1CC1CCCCC1 ZINC000023114814 212349312 /nfs/dbraw/zinc/34/93/12/212349312.db2.gz POFFOYNGNQMFRS-ZDUSSCGKSA-N 0 0 331.441 3.694 10 0 EHAERN COc1ccc2cc(C(=O)c3ccccc3)sc(=O)c2c1OC ZINC000004744485 201616390 /nfs/dbraw/zinc/61/63/90/201616390.db2.gz JZGLHOVWRNVLTJ-UHFFFAOYSA-N 0 0 326.373 3.510 10 0 EHAERN COc1ccc(OC)c([C@H]2SCCN2C(=O)c2ccccc2F)c1 ZINC000004752202 201616711 /nfs/dbraw/zinc/61/67/11/201616711.db2.gz PEHHDFQRTUDFMN-GOSISDBHSA-N 0 0 347.411 3.731 10 0 EHAERN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1OCCC(=O)[C@@H]12 ZINC000253596612 244030429 /nfs/dbraw/zinc/03/04/29/244030429.db2.gz UBWYZPIHNVMDTI-GSIZPKONSA-N 0 0 344.495 3.894 10 0 EHAERN CC(C)Cn1ccc2cc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)ccc21 ZINC000072079750 203161277 /nfs/dbraw/zinc/16/12/77/203161277.db2.gz FQEGWMUACRGWNU-HUUCEWRRSA-N 0 0 329.444 3.938 10 0 EHAERN C[C@@H](NS(=O)(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000071941701 203154036 /nfs/dbraw/zinc/15/40/36/203154036.db2.gz FSGQQTXENFPZQU-OAHLLOKOSA-N 0 0 338.432 3.788 10 0 EHAERN CCCCN1CN(c2ccc(C)c(C)c2)c2nc(C)c(C)c(=O)n2C1 ZINC000072442873 203225844 /nfs/dbraw/zinc/22/58/44/203225844.db2.gz DEQIQIZLWNHRLY-UHFFFAOYSA-N 0 0 340.471 3.646 10 0 EHAERN COc1ccc(-c2ccnc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 ZINC000072440118 203226069 /nfs/dbraw/zinc/22/60/69/203226069.db2.gz NRUYISFZGVBTRX-UHFFFAOYSA-N 0 0 344.374 3.737 10 0 EHAERN Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(N2CCCCC2)n1 ZINC000072462207 203228487 /nfs/dbraw/zinc/22/84/87/203228487.db2.gz OBDNBURKSHFVME-UHFFFAOYSA-N 0 0 333.439 3.936 10 0 EHAERN O=C1Nc2ccc(Cl)cc2/C1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000072414747 203218383 /nfs/dbraw/zinc/21/83/83/203218383.db2.gz UMKYBJOODBUFOF-BUHFOSPRSA-N 0 0 331.158 3.808 10 0 EHAERN Cc1cc(Br)cc(C)c1NCC(=O)NC1CCCC1 ZINC000020071186 212099447 /nfs/dbraw/zinc/09/94/47/212099447.db2.gz JPRFGDJGFYKSBY-UHFFFAOYSA-N 0 0 325.250 3.537 10 0 EHAERN Cc1cc(N)ccc1NC(=O)CCOc1ccccc1Br ZINC000019516718 212036766 /nfs/dbraw/zinc/03/67/66/212036766.db2.gz YUAGZYHYWNVQNO-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1ncc(F)cn1 ZINC000095086229 203712756 /nfs/dbraw/zinc/71/27/56/203712756.db2.gz OAMASDGULGWEFU-AWEZNQCLSA-N 0 0 339.411 3.564 10 0 EHAERN Cc1ccc(NC(=O)[C@@H]2CNc3ccccc3O2)c(Br)c1 ZINC000019436502 212028777 /nfs/dbraw/zinc/02/87/77/212028777.db2.gz HDIQNUSYTHMSHR-HNNXBMFYSA-N 0 0 347.212 3.569 10 0 EHAERN CCOc1cccc(Oc2cccc(I)c2)n1 ZINC000104105548 204096993 /nfs/dbraw/zinc/09/69/93/204096993.db2.gz ONVBPPTXBIQFDY-UHFFFAOYSA-N 0 0 341.148 3.877 10 0 EHAERN COc1ccc([C@@H](O)c2cc(C)ccc2F)cc1Br ZINC000052998802 206253994 /nfs/dbraw/zinc/25/39/94/206253994.db2.gz LMEUMRLVULRXER-OAHLLOKOSA-N 0 0 325.177 3.987 10 0 EHAERN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000254048206 257657392 /nfs/dbraw/zinc/65/73/92/257657392.db2.gz XHCCPSKYYJBSAA-DEPZYBTGSA-N 0 0 332.484 3.774 10 0 EHAERN O=C(c1cccs1)N1C[C@@H]2CCC[C@]2(COCc2ccncc2)C1 ZINC000247938205 257672878 /nfs/dbraw/zinc/67/28/78/257672878.db2.gz OMOMNRHFEHKMDY-QFBILLFUSA-N 0 0 342.464 3.602 10 0 EHAERN C[C@@H]1C(=O)N(c2ccccc2Cl)CCN1Cc1ccc(F)cc1 ZINC000037519521 132393916 /nfs/dbraw/zinc/39/39/16/132393916.db2.gz CCPFOLIRDUDDKY-CYBMUJFWSA-N 0 0 332.806 3.716 10 0 EHAERN COc1ccc(/C=C2\CCC[C@H]3C2=NO[C@@]3(O)C(F)(F)F)cc1 ZINC000217019989 536598282 /nfs/dbraw/zinc/59/82/82/536598282.db2.gz LUQMHCRRVCTZRN-ODLGNMLASA-N 0 0 327.302 3.516 10 0 EHAERN CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000000182406 563254390 /nfs/dbraw/zinc/25/43/90/563254390.db2.gz FYUSETWRSLPLMK-JMPLFQLZSA-N 0 0 348.830 3.700 10 0 EHAERN Cc1ccc(NC(=S)N(Cc2cccnc2)C[C@H]2CCCO2)cc1 ZINC000017071460 563834676 /nfs/dbraw/zinc/83/46/76/563834676.db2.gz ZVDWAZBMOUINBN-GOSISDBHSA-N 0 0 341.480 3.768 10 0 EHAERN Cn1c2ccccc2nc1CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275538115 564009200 /nfs/dbraw/zinc/00/92/00/564009200.db2.gz MMENPSCHAWJEII-LJQANCHMSA-N 0 0 349.482 3.523 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2csc3ccccc23)C1 ZINC000189335125 564015022 /nfs/dbraw/zinc/01/50/22/564015022.db2.gz BBPFUVJGJCLXEQ-DZGCQCFKSA-N 0 0 329.425 3.555 10 0 EHAERN CCc1nn(Cc2cccc(C)c2)c(=O)c2cc3cc(C)ccc3n21 ZINC000006803402 564033548 /nfs/dbraw/zinc/03/35/48/564033548.db2.gz UBLJDTZAHLVYIM-UHFFFAOYSA-N 0 0 331.419 3.877 10 0 EHAERN COc1ccccc1-c1c(I)n[nH]c1C(C)C ZINC000675077063 564113402 /nfs/dbraw/zinc/11/34/02/564113402.db2.gz WZLIGTDXXMBWNG-UHFFFAOYSA-N 0 0 342.180 3.813 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)no1 ZINC000412142785 564117846 /nfs/dbraw/zinc/11/78/46/564117846.db2.gz BZGUSZQTMVSBTN-YZVOILCLSA-N 0 0 343.402 3.741 10 0 EHAERN C[C@H](COCc1ccccc1)CC(=O)CCNC(=O)OC(C)(C)C ZINC000685961440 564177181 /nfs/dbraw/zinc/17/71/81/564177181.db2.gz IDJGWHYBOCNCFJ-HNNXBMFYSA-N 0 0 335.444 3.713 10 0 EHAERN Fc1ccc(-c2nc(CSc3ncnc4[nH]cnc43)co2)cc1F ZINC000118177818 1032085967 /nfs/dbraw/zinc/08/59/67/1032085967.db2.gz UNGVGHYWBICRRB-UHFFFAOYSA-N 0 0 345.334 3.578 10 0 EHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H](C)CC3CCCCC3)C2)n1 ZINC000116775504 1014275279 /nfs/dbraw/zinc/27/52/79/1014275279.db2.gz ABCNIGMQVVWWDC-BEFAXECRSA-N 0 0 346.519 3.740 10 0 EHAERN CCOc1cc2c(cc1NC(=O)N1C[C@@H]3CCC[C@H]3C1)O[C@@H](C)C2 ZINC000246313342 1016060253 /nfs/dbraw/zinc/06/02/53/1016060253.db2.gz FAASULSFKWIQME-IHRRRGAJSA-N 0 0 330.428 3.673 10 0 EHAERN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CC[C@H]4CCC[C@@H]43)n2)n1 ZINC000330016886 1016828205 /nfs/dbraw/zinc/82/82/05/1016828205.db2.gz QGBAEAINIXXFIM-HIFRSBDPSA-N 0 0 344.846 3.552 10 0 EHAERN CC[C@H](C)[C@H](NCc1ncc(-c2ccccc2Cl)o1)C(=O)OC ZINC000183698705 1032195179 /nfs/dbraw/zinc/19/51/79/1032195179.db2.gz VYGXHZKUWOFXCO-ZBEGNZNMSA-N 0 0 336.819 3.672 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183885201 1032237712 /nfs/dbraw/zinc/23/77/12/1032237712.db2.gz BBOMROUGSUZPIO-PMACEKPBSA-N 0 0 343.430 3.872 10 0 EHAERN O=C(Nc1cc(F)cc(Cl)c1)N1CCCN(c2ccccn2)CC1 ZINC000184126541 1032256415 /nfs/dbraw/zinc/25/64/15/1032256415.db2.gz GEGXIMCQMCFJFV-UHFFFAOYSA-N 0 0 348.809 3.618 10 0 EHAERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)[C@@H]1CCCn2ccnc21 ZINC000081119827 1032494155 /nfs/dbraw/zinc/49/41/55/1032494155.db2.gz FKFUNKQJSLDMBD-HZPDHXFCSA-N 0 0 329.831 3.681 10 0 EHAERN NC(=O)C[C@@H]1CCCN(c2ncnc3sc4ccccc4c32)C1 ZINC000333341089 1019279323 /nfs/dbraw/zinc/27/93/23/1019279323.db2.gz SUUFGARJQMONPV-NSHDSACASA-N 0 0 326.425 3.986 10 0 EHAERN C[C@H](C1CC1)n1cc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cn1 ZINC000333471947 1019675366 /nfs/dbraw/zinc/67/53/66/1019675366.db2.gz FZKSTVAXKSCJSU-BKHCRLDZSA-N 0 0 328.460 3.754 10 0 EHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1cnc([C@H]2CCCO2)s1 ZINC000089739003 1020318705 /nfs/dbraw/zinc/31/87/05/1020318705.db2.gz JHNFQGUKGVGFHL-GMDIISMXSA-N 0 0 332.469 3.549 10 0 EHAERN COc1ccc(C2=N/C(=C/c3cccc4cnccc34)C(=O)O2)cc1 ZINC000588423527 1021438736 /nfs/dbraw/zinc/43/87/36/1021438736.db2.gz UVWIINBPFPTWBY-WOJGMQOQSA-N 0 0 330.343 3.588 10 0 EHAERN C[C@H](NC(=O)Nc1ccccc1N(C)C1CCCC1)[C@@H]1CCCO1 ZINC000121130981 1021456806 /nfs/dbraw/zinc/45/68/06/1021456806.db2.gz KRPNLQVZHABDJL-KSSFIOAISA-N 0 0 331.460 3.754 10 0 EHAERN CN(c1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CO)C1CCCC1 ZINC000121152918 1021481948 /nfs/dbraw/zinc/48/19/48/1021481948.db2.gz PCQXTKGGFXYOJA-WBVHZDCISA-N 0 0 345.487 3.738 10 0 EHAERN O=C(N[C@H]1CCO[C@H](c2cccs2)C1)c1noc2c1CCCCC2 ZINC000333972889 1021555689 /nfs/dbraw/zinc/55/56/89/1021555689.db2.gz XLJNCHCMYFXISD-WFASDCNBSA-N 0 0 346.452 3.655 10 0 EHAERN Cc1ccc(/C=C\CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1 ZINC000588434311 1022150934 /nfs/dbraw/zinc/15/09/34/1022150934.db2.gz CPFBHFSBSFQPPN-ISTTXYCBSA-N 0 0 344.455 3.595 10 0 EHAERN C[C@H](c1nc(C2CC2)no1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120129667 1022392429 /nfs/dbraw/zinc/39/24/29/1022392429.db2.gz GQTQLOLQGQCFSE-ABAIWWIYSA-N 0 0 333.819 3.815 10 0 EHAERN O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127967392 1022402504 /nfs/dbraw/zinc/40/25/04/1022402504.db2.gz DDWOYZDNEKARAN-QLJPJBMISA-N 0 0 346.229 3.900 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128208507 1022418813 /nfs/dbraw/zinc/41/88/13/1022418813.db2.gz WYYQAEZQKGBTLQ-MLGOLLRUSA-N 0 0 342.361 3.864 10 0 EHAERN O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128219053 1022419073 /nfs/dbraw/zinc/41/90/73/1022419073.db2.gz VSTYXICFGROLHS-CJNGLKHVSA-N 0 0 342.361 3.864 10 0 EHAERN COc1ccc(/C=C(/C)C(=O)N(C)Cc2ccc(Cl)nc2)cc1F ZINC000588444239 1022511913 /nfs/dbraw/zinc/51/19/13/1022511913.db2.gz UJJOHSKMYTZAFM-WQLSENKSSA-N 0 0 348.805 3.945 10 0 EHAERN CC(C)c1noc(CCCNC(=O)N2CCC[C@H]2c2ccccc2)n1 ZINC000101609424 1022571502 /nfs/dbraw/zinc/57/15/02/1022571502.db2.gz BLTHXRJHAKWYRA-INIZCTEOSA-N 0 0 342.443 3.672 10 0 EHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N1CCC[C@@H]1c1ccccc1 ZINC000333726378 1022613023 /nfs/dbraw/zinc/61/30/23/1022613023.db2.gz VZDVOONZGAVJCT-QGZVFWFLSA-N 0 0 335.407 3.970 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000180224126 1023272278 /nfs/dbraw/zinc/27/22/78/1023272278.db2.gz DQJYEDVRELIGQY-LSJNQWAISA-N 0 0 340.471 3.849 10 0 EHAERN O=C(c1cccnc1Br)N1CC=C(c2ccccc2)CC1 ZINC000132845302 1023457500 /nfs/dbraw/zinc/45/75/00/1023457500.db2.gz KHSMVZUQEDDRDS-UHFFFAOYSA-N 0 0 343.224 3.774 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000588471478 1023693877 /nfs/dbraw/zinc/69/38/77/1023693877.db2.gz HCIUKBWNUTWULV-JBXOJTMHSA-N 0 0 347.430 3.809 10 0 EHAERN C[C@@H]1CCCC[C@H]1OCc1noc(Cc2ccc3c(c2)NC(=O)C3)n1 ZINC000329583745 1023971372 /nfs/dbraw/zinc/97/13/72/1023971372.db2.gz QQWIAMVAQVNKJO-MLGOLLRUSA-N 0 0 341.411 3.900 10 0 EHAERN CCC1(CC)CN(C(=O)/C=C\c2ccccc2Cl)CC[S@]1=O ZINC000588486293 1024012710 /nfs/dbraw/zinc/01/27/10/1024012710.db2.gz VAEJPYADJNSSGS-MZMPXXGTSA-N 0 0 339.888 3.503 10 0 EHAERN Cc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000151208972 1024061969 /nfs/dbraw/zinc/06/19/69/1024061969.db2.gz MMGJJXDERIQZDB-SJORKVTESA-N 0 0 332.407 3.626 10 0 EHAERN CCOc1ccc(NC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cn1 ZINC000151552467 1024180205 /nfs/dbraw/zinc/18/02/05/1024180205.db2.gz FMNZFFWVZNQGNE-CQSZACIVSA-N 0 0 346.456 3.787 10 0 EHAERN CCOc1ccc(NC(=O)N(C)[C@H]2CCCc3nc(C)sc32)cn1 ZINC000151552534 1024181164 /nfs/dbraw/zinc/18/11/64/1024181164.db2.gz FMNZFFWVZNQGNE-AWEZNQCLSA-N 0 0 346.456 3.787 10 0 EHAERN CC1CCN(C(=O)c2ccc(NC(=O)N3C[C@H]4CCC[C@H]43)cc2)CC1 ZINC000329922185 1024251387 /nfs/dbraw/zinc/25/13/87/1024251387.db2.gz HWLTWTZGKZGLRG-SJLPKXTDSA-N 0 0 341.455 3.575 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2oc(CC3CC3)nc2C)C12CCCC2 ZINC000330005093 1024284549 /nfs/dbraw/zinc/28/45/49/1024284549.db2.gz DAZJXALYURMSIP-HZPDHXFCSA-N 0 0 346.471 3.745 10 0 EHAERN CCO[C@H]1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)C[C@H]1C ZINC000333661959 1024347169 /nfs/dbraw/zinc/34/71/69/1024347169.db2.gz MIPXKFRSLLMSMZ-PBHICJAKSA-N 0 0 348.491 3.747 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCCc3ccc(C)cc3)CCO2)o1 ZINC000151691584 1024415837 /nfs/dbraw/zinc/41/58/37/1024415837.db2.gz UARMYGFJCHUVGU-IBGZPJMESA-N 0 0 327.424 3.819 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CC(C)(C)c3ccccc3)CCO2)o1 ZINC000151749510 1024536489 /nfs/dbraw/zinc/53/64/89/1024536489.db2.gz ORPVKWYEMJHNCB-GOSISDBHSA-N 0 0 327.424 3.856 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCC[C@@H]3c3ccncc3)c21 ZINC000103317167 1024595251 /nfs/dbraw/zinc/59/52/51/1024595251.db2.gz YHOODTPVNYDBQV-LJQANCHMSA-N 0 0 348.450 3.961 10 0 EHAERN CC(C)c1nnc(/C=C/C(=O)N2CC=C(c3cccs3)CC2)o1 ZINC000151864796 1024853057 /nfs/dbraw/zinc/85/30/57/1024853057.db2.gz QYVNEZLIFRLYCQ-AATRIKPKSA-N 0 0 329.425 3.584 10 0 EHAERN CCO[C@@H]1C[C@H](OC(=O)/C=C(/C)c2ccc(F)cc2)C12CCOCC2 ZINC000588492642 1024912400 /nfs/dbraw/zinc/91/24/00/1024912400.db2.gz KKLAKEBENPXPFB-JKTUTYCYSA-N 0 0 348.414 3.746 10 0 EHAERN CCO[C@@H]1C[C@H](OC(=O)CC/C=C\c2ccccc2)C12CCOCC2 ZINC000588492870 1024924849 /nfs/dbraw/zinc/92/48/49/1024924849.db2.gz CMBBJWOOEFJWIJ-FZWSFRSISA-N 0 0 344.451 3.997 10 0 EHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121544212 1025496834 /nfs/dbraw/zinc/49/68/34/1025496834.db2.gz CTZMUYLOHFTQPX-AFAVFJNCSA-N 0 0 338.407 3.609 10 0 EHAERN CC(C)CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113575330 1025648779 /nfs/dbraw/zinc/64/87/79/1025648779.db2.gz CEKUCJGTXKPJED-MRXNPFEDSA-N 0 0 326.444 3.622 10 0 EHAERN Cc1csc2c1ncnc2N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000329215520 1025670200 /nfs/dbraw/zinc/67/02/00/1025670200.db2.gz MUBZUMMUAAFLKP-AWEZNQCLSA-N 0 0 339.468 3.943 10 0 EHAERN O=C(NC1CC1)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)ccc1Cl ZINC000121888008 1025933340 /nfs/dbraw/zinc/93/33/40/1025933340.db2.gz MDRRBMAVZHKUQS-QWHCGFSZSA-N 0 0 344.798 3.567 10 0 EHAERN Cc1nc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2C)no1 ZINC000329567755 1026010825 /nfs/dbraw/zinc/01/08/25/1026010825.db2.gz TVMUVTDWGXLEHX-KURKYZTESA-N 0 0 339.439 3.934 10 0 EHAERN Cc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000103860107 1026128876 /nfs/dbraw/zinc/12/88/76/1026128876.db2.gz RXCUBGLBTXQDFU-SFHVURJKSA-N 0 0 327.403 3.870 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C(C)=O)cs3)C2)cc1 ZINC000122067506 1026172594 /nfs/dbraw/zinc/17/25/94/1026172594.db2.gz IFIYYNTZCXLTAK-IUODEOHRSA-N 0 0 343.448 3.978 10 0 EHAERN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000047923461 1026213873 /nfs/dbraw/zinc/21/38/73/1026213873.db2.gz OWISPYOXHIVKAR-IRXDYDNUSA-N 0 0 345.830 3.514 10 0 EHAERN COc1ccc([C@H](C)NC(=O)NCc2cc(F)ccc2F)cc1F ZINC000104777570 1026411675 /nfs/dbraw/zinc/41/16/75/1026411675.db2.gz USFVPJAIMAYOFX-JTQLQIEISA-N 0 0 338.329 3.673 10 0 EHAERN Cc1cc(F)cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 ZINC000152692011 1026538957 /nfs/dbraw/zinc/53/89/57/1026538957.db2.gz LXGKULVDZQQOBQ-HNNXBMFYSA-N 0 0 330.384 3.576 10 0 EHAERN CC[C@@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1ccc2c(c1)CCO2 ZINC000167947073 1026618938 /nfs/dbraw/zinc/61/89/38/1026618938.db2.gz KOJUURAUHUDROI-SJORKVTESA-N 0 0 340.471 3.912 10 0 EHAERN CC(C)=C(F)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000152743858 1026680823 /nfs/dbraw/zinc/68/08/23/1026680823.db2.gz GIEFXDVLVRGPBC-UHFFFAOYSA-N 0 0 328.391 3.873 10 0 EHAERN Cc1cc(F)ccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000152805825 1026741087 /nfs/dbraw/zinc/74/10/87/1026741087.db2.gz LXKFZOJGCWSFMV-UHFFFAOYSA-N 0 0 330.378 3.990 10 0 EHAERN CC(=O)c1c(C)cccc1NS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000588535716 1026793676 /nfs/dbraw/zinc/79/36/76/1026793676.db2.gz MXCNHCAYXBUZKJ-KHPPLWFESA-N 0 0 333.384 3.749 10 0 EHAERN Cc1nc(Cl)cc(N[C@H](c2nc(-c3cccnc3)no2)C(C)C)n1 ZINC000301732601 1026918812 /nfs/dbraw/zinc/91/88/12/1026918812.db2.gz YQKJOVUMBFNSOO-AWEZNQCLSA-N 0 0 344.806 3.693 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC=C(c2cccs2)CC1 ZINC000123049631 1026942292 /nfs/dbraw/zinc/94/22/92/1026942292.db2.gz AZTCUKRFEPSKCS-OIISXLGYSA-N 0 0 344.480 3.504 10 0 EHAERN CC(=O)c1c(C)cccc1NC(=O)C=Cc1cnc2ccccc2n1 ZINC000588545672 1027246329 /nfs/dbraw/zinc/24/63/29/1027246329.db2.gz IKFJNVKKXXEIFN-KHPPLWFESA-N 0 0 331.375 3.793 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1ccc2ccccc2c1 ZINC000333622814 1027250644 /nfs/dbraw/zinc/25/06/44/1027250644.db2.gz ZSHNKJPCVYKPLS-HNAYVOBHSA-N 0 0 338.451 3.990 10 0 EHAERN COc1ccc(CC(C)(C)NC(=O)/C=C\c2ccnc(Cl)c2)cc1 ZINC000588545760 1027255403 /nfs/dbraw/zinc/25/54/03/1027255403.db2.gz YYVRCMHSHOSGMR-TWGQIWQCSA-N 0 0 344.842 3.894 10 0 EHAERN CC(C)CCC[C@H](C)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000123460025 1027319492 /nfs/dbraw/zinc/31/94/92/1027319492.db2.gz GPRZFGBQRHLCLJ-INIZCTEOSA-N 0 0 334.508 3.599 10 0 EHAERN COc1cc(F)ccc1NCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000045734766 1027339313 /nfs/dbraw/zinc/33/93/13/1027339313.db2.gz GHWYGEIUJPYNSP-CQSZACIVSA-N 0 0 334.416 3.671 10 0 EHAERN C[C@H](NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1nc2ccccc2[nH]1 ZINC000333561195 1027359830 /nfs/dbraw/zinc/35/98/30/1027359830.db2.gz QQWXYABDACOAFB-MTCCJSQRSA-N 0 0 338.455 3.702 10 0 EHAERN CSc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000153217537 1027590619 /nfs/dbraw/zinc/59/06/19/1027590619.db2.gz SHLUTJBCOCOWQY-MRXNPFEDSA-N 0 0 332.425 3.915 10 0 EHAERN CCCOc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153310434 1027699049 /nfs/dbraw/zinc/69/90/49/1027699049.db2.gz PMTXWGQFJYQEGU-SFHVURJKSA-N 0 0 344.411 3.982 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cnccc1OC(C)(C)C ZINC000131820732 1027826668 /nfs/dbraw/zinc/82/66/68/1027826668.db2.gz VJEQGJOOLWRRNT-SJCJKPOMSA-N 0 0 326.396 3.762 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1c(F)cccc1NC1CC1 ZINC000132988903 1027986067 /nfs/dbraw/zinc/98/60/67/1027986067.db2.gz HXLTXPYXXVZIIM-ZMZPIMSZSA-N 0 0 326.371 3.903 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1c(F)cccc1NC1CC1 ZINC000132989299 1027987227 /nfs/dbraw/zinc/98/72/27/1027987227.db2.gz HXLTXPYXXVZIIM-ADLMAVQZSA-N 0 0 326.371 3.903 10 0 EHAERN O[C@H](C[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1)c1ccco1 ZINC000246208385 1027995173 /nfs/dbraw/zinc/99/51/73/1027995173.db2.gz MHWHZWRWABORRY-QZTJIDSGSA-N 0 0 337.423 3.758 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)CCO2)o1 ZINC000133344260 1028018331 /nfs/dbraw/zinc/01/83/31/1028018331.db2.gz ZDMOGABZPWZNII-KEYYUXOJSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)CCOc3ccccc3)CCO2)o1 ZINC000133348635 1028021966 /nfs/dbraw/zinc/02/19/66/1028021966.db2.gz WMNPEGKUEJJEDF-BEFAXECRSA-N 0 0 343.423 3.593 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCC(=O)c3ccc(C)s3)CCO2)o1 ZINC000133750098 1028061742 /nfs/dbraw/zinc/06/17/42/1028061742.db2.gz GSJKPYIAJBYFJX-INIZCTEOSA-N 0 0 347.436 3.521 10 0 EHAERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000136888817 1028276510 /nfs/dbraw/zinc/27/65/10/1028276510.db2.gz ZFRACIBFQAMMMI-AWEZNQCLSA-N 0 0 331.803 3.729 10 0 EHAERN O=C(c1cc(F)cc2nc[nH]c21)N1CC=C(c2ccccc2F)CC1 ZINC000137349048 1028310141 /nfs/dbraw/zinc/31/01/41/1028310141.db2.gz OBTLFHIIDIPNOQ-UHFFFAOYSA-N 0 0 339.345 3.771 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(C=O)cc3)nc2c1 ZINC000066642443 1028334826 /nfs/dbraw/zinc/33/48/26/1028334826.db2.gz VTGJDNTUEKTLOS-SFHVURJKSA-N 0 0 333.391 3.661 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H](c4nccs4)C3)c21 ZINC000067047726 1028353554 /nfs/dbraw/zinc/35/35/54/1028353554.db2.gz QJFULOIWPMOYMA-AWEZNQCLSA-N 0 0 339.464 3.882 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2cc3ccccc3s2)c2ccccc2)[nH]1 ZINC000057797528 1028372360 /nfs/dbraw/zinc/37/23/60/1028372360.db2.gz UYHRNBUKHSOTSI-QGZVFWFLSA-N 0 0 348.431 3.847 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000062130854 1028442277 /nfs/dbraw/zinc/44/22/77/1028442277.db2.gz OREHCXJDEBJIMZ-UHFFFAOYSA-N 0 0 331.847 3.706 10 0 EHAERN COc1ccccc1C(=O)N1CCC[C@H](COc2ccccc2)C1 ZINC000062555154 1028446445 /nfs/dbraw/zinc/44/64/45/1028446445.db2.gz CUNUBMIFFLKCSN-INIZCTEOSA-N 0 0 325.408 3.626 10 0 EHAERN C[C@H](NC(=O)/C=C\c1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000588562671 1028468376 /nfs/dbraw/zinc/46/83/76/1028468376.db2.gz WFUGHZWDOHGDRV-RXNFCKPNSA-N 0 0 346.418 3.540 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCc3cccnc32)c1 ZINC000193858426 1028473308 /nfs/dbraw/zinc/47/33/08/1028473308.db2.gz WWMITJXIHPDHHD-CYBMUJFWSA-N 0 0 344.798 3.580 10 0 EHAERN CCc1nc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000246413109 1028479552 /nfs/dbraw/zinc/47/95/52/1028479552.db2.gz BITCECIYECVOAK-ZIAGYGMSSA-N 0 0 335.473 3.562 10 0 EHAERN C[C@@H]1CN(Cc2nc(-c3cccs3)no2)C[C@@H](c2ccsc2)O1 ZINC000246428124 1028486010 /nfs/dbraw/zinc/48/60/10/1028486010.db2.gz KDULMYXEBOTGRL-YPMHNXCESA-N 0 0 347.465 3.822 10 0 EHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCc3cccnc32)c1 ZINC000194101334 1028490324 /nfs/dbraw/zinc/49/03/24/1028490324.db2.gz MVOHYNWVIRASRJ-AWEZNQCLSA-N 0 0 343.814 3.752 10 0 EHAERN C[C@@H]1CCC[C@@H](OC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000072691704 1028512050 /nfs/dbraw/zinc/51/20/50/1028512050.db2.gz TXPLRJGZAAULGI-UKRRQHHQSA-N 0 0 335.469 3.722 10 0 EHAERN COc1cccc(C2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000194703924 1028541061 /nfs/dbraw/zinc/54/10/61/1028541061.db2.gz RLAABIPQJULRMI-MRXNPFEDSA-N 0 0 342.266 3.985 10 0 EHAERN C[C@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccn1 ZINC000073486496 1028558078 /nfs/dbraw/zinc/55/80/78/1028558078.db2.gz VYKOSELVYRLDAJ-AWEZNQCLSA-N 0 0 342.418 3.568 10 0 EHAERN Clc1cccc(-c2cnc(CSc3ncnc4[nH]cnc43)o2)c1 ZINC000073966274 1028590436 /nfs/dbraw/zinc/59/04/36/1028590436.db2.gz WYANDVWZMJGWOL-UHFFFAOYSA-N 0 0 343.799 3.954 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)C3CCC(C)CC3)CC2)nc1 ZINC000074435106 1028613738 /nfs/dbraw/zinc/61/37/38/1028613738.db2.gz ODLPGODTJPHNKE-UHFFFAOYSA-N 0 0 344.503 3.579 10 0 EHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1Cl ZINC000075057341 1028641381 /nfs/dbraw/zinc/64/13/81/1028641381.db2.gz LIAKRKQUVYSUKG-UHFFFAOYSA-N 0 0 348.874 3.641 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246635259 1028669446 /nfs/dbraw/zinc/66/94/46/1028669446.db2.gz JGXIQBVRYYJWQL-CENDIDJXSA-N 0 0 327.468 3.927 10 0 EHAERN COc1ccccc1COC1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000246834471 1028700207 /nfs/dbraw/zinc/70/02/07/1028700207.db2.gz RSVGXHKMEFSIKO-RUYXUALKSA-N 0 0 343.467 3.639 10 0 EHAERN Cc1ccc(CN(C)C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)s1 ZINC000246922684 1028710968 /nfs/dbraw/zinc/71/09/68/1028710968.db2.gz KGFHQXCXKFUPBT-KZNAEPCWSA-N 0 0 326.465 3.784 10 0 EHAERN O=C(Nc1ccc(OC2CCC2)c(F)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247434587 1028788838 /nfs/dbraw/zinc/78/88/38/1028788838.db2.gz NXSCPKPDYNPGPW-USXIJHARSA-N 0 0 348.418 3.836 10 0 EHAERN COc1ccc2[nH]cc(C3CCN(C(=O)[C@H]4[C@@H]5CCC[C@@H]54)CC3)c2c1 ZINC000248335956 1028866862 /nfs/dbraw/zinc/86/68/62/1028866862.db2.gz GUZOQYPFGSDVAC-IGOJGBNBSA-N 0 0 338.451 3.929 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000248386381 1028878237 /nfs/dbraw/zinc/87/82/37/1028878237.db2.gz MJEKXSBZBMFUNX-XUWVNRHRSA-N 0 0 339.357 3.651 10 0 EHAERN O[C@H](CN1CCO[C@@H](c2ccsc2)C1)c1ccc(F)cc1Cl ZINC000248539692 1028884963 /nfs/dbraw/zinc/88/49/63/1028884963.db2.gz AVQKWLJFMZXRNQ-HZPDHXFCSA-N 0 0 341.835 3.648 10 0 EHAERN CC(C)N(C)c1ccc(CN2CCO[C@@H](c3ccsc3)C2)cn1 ZINC000248822141 1028953471 /nfs/dbraw/zinc/95/34/71/1028953471.db2.gz FUBJJCUEQPZYSQ-QGZVFWFLSA-N 0 0 331.485 3.561 10 0 EHAERN COC(=O)[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C[C@@H]1C ZINC000249073860 1028982653 /nfs/dbraw/zinc/98/26/53/1028982653.db2.gz LKGYVKUFELGJRA-QWHCGFSZSA-N 0 0 348.830 3.626 10 0 EHAERN CCCCN(C)c1ccc(NC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000249577759 1029011350 /nfs/dbraw/zinc/01/13/50/1029011350.db2.gz ALKHVEHAHZPFRP-RCCFBDPRSA-N 0 0 331.460 3.612 10 0 EHAERN C[C@H](CC1CCCC1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000114353143 1029033191 /nfs/dbraw/zinc/03/31/91/1029033191.db2.gz AEVSWCXOHFALTA-OAHLLOKOSA-N 0 0 348.512 3.639 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1ccncc1 ZINC000076944443 1029060181 /nfs/dbraw/zinc/06/01/81/1029060181.db2.gz DPNONGBYUUGMQY-ZBFHGGJFSA-N 0 0 327.403 3.556 10 0 EHAERN Cc1csc([C@@H]2COCCN2[C@H](C)CCc2cccc(F)c2)n1 ZINC000251559058 1029131870 /nfs/dbraw/zinc/13/18/70/1029131870.db2.gz GKUBJORRRNNATF-PBHICJAKSA-N 0 0 334.460 3.985 10 0 EHAERN C[C@@H]1CCN(C(=O)[C@H]2CSCCS2)[C@@H]1c1cccc(F)c1 ZINC000252652213 1029214858 /nfs/dbraw/zinc/21/48/58/1029214858.db2.gz IVMGKWWNQLHOTA-DFBGVHRSSA-N 0 0 325.474 3.584 10 0 EHAERN COCc1ccccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078187729 1029239131 /nfs/dbraw/zinc/23/91/31/1029239131.db2.gz UNTMEJZKVDRVOE-MAUKXSAKSA-N 0 0 339.435 3.860 10 0 EHAERN COc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000078187386 1029239849 /nfs/dbraw/zinc/23/98/49/1029239849.db2.gz OONHUBOWGGSVPB-PBHICJAKSA-N 0 0 325.408 3.722 10 0 EHAERN C[C@@H]1CN(Cc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)CO1 ZINC000245801910 1029318015 /nfs/dbraw/zinc/31/80/15/1029318015.db2.gz XYKRSAVSUBPCIW-YLJYHZDGSA-N 0 0 337.467 3.644 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000245868678 1029398255 /nfs/dbraw/zinc/39/82/55/1029398255.db2.gz FUXOSOPTLDZROA-CEXWTWQISA-N 0 0 343.515 3.808 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3nnc(-c4ccccc4)s3)CCO2)o1 ZINC000155638781 1029606843 /nfs/dbraw/zinc/60/68/43/1029606843.db2.gz BQGXPXWFBURGOU-INIZCTEOSA-N 0 0 341.436 3.680 10 0 EHAERN CCc1ccccc1CNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000155765173 1029654339 /nfs/dbraw/zinc/65/43/39/1029654339.db2.gz PYRDIBKKLFYPHI-INIZCTEOSA-N 0 0 329.469 3.795 10 0 EHAERN COc1ccccc1/C=C/C(=O)NC1CCN(c2cccs2)CC1 ZINC000156040717 1029728271 /nfs/dbraw/zinc/72/82/71/1029728271.db2.gz ZQWIABFFGTVZPD-CMDGGOBGSA-N 0 0 342.464 3.555 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000114805417 1029831228 /nfs/dbraw/zinc/83/12/28/1029831228.db2.gz RXVWPHPYHRQKHZ-GFCCVEGCSA-N 0 0 347.440 3.572 10 0 EHAERN COc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1F ZINC000090202273 1030090850 /nfs/dbraw/zinc/09/08/50/1030090850.db2.gz RPVLTPYBJDIJAD-MRXNPFEDSA-N 0 0 347.777 3.750 10 0 EHAERN CC(C)Oc1ccc(C=CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000170679758 1030699064 /nfs/dbraw/zinc/69/90/64/1030699064.db2.gz HZIFBSGWWRRKFK-PYUISTEWSA-N 0 0 339.439 3.616 10 0 EHAERN O=C(c1cc2c(s1)CCOC2)N1CC=C(c2ccccc2)CC1 ZINC000170857355 1030706214 /nfs/dbraw/zinc/70/62/14/1030706214.db2.gz PAACJUVBKITBJY-UHFFFAOYSA-N 0 0 325.433 3.750 10 0 EHAERN Cc1ccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171613624 1030800769 /nfs/dbraw/zinc/80/07/69/1030800769.db2.gz ODAAWRDFADXHKB-KRWDZBQOSA-N 0 0 338.451 3.639 10 0 EHAERN CCO[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000171722772 1030813129 /nfs/dbraw/zinc/81/31/29/1030813129.db2.gz RKKMOVVZQMALDT-HOTGVXAUSA-N 0 0 330.453 3.627 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cnc(C)nc3C(C)C)CC2)n1 ZINC000172137668 1030839074 /nfs/dbraw/zinc/83/90/74/1030839074.db2.gz ZKYJZMHANSXJNQ-UHFFFAOYSA-N 0 0 344.484 3.693 10 0 EHAERN CCS[C@@H](C)c1noc(CN2CCC[C@@H](c3nccs3)C2)n1 ZINC000247113290 1030893931 /nfs/dbraw/zinc/89/39/31/1030893931.db2.gz AEYXNCIYTAAREW-NWDGAFQWSA-N 0 0 338.502 3.720 10 0 EHAERN CC(C)C[C@@H](C)S(=O)(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000172414410 1030944951 /nfs/dbraw/zinc/94/49/51/1030944951.db2.gz KMLDUAKLCLHSFR-QAPCUYQASA-N 0 0 332.469 3.525 10 0 EHAERN CC(C)(C)CCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172585252 1030975160 /nfs/dbraw/zinc/97/51/60/1030975160.db2.gz AYOORGRIRZDLKG-UHFFFAOYSA-N 0 0 336.501 3.543 10 0 EHAERN COc1cc(C)ccc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174384561 1031208071 /nfs/dbraw/zinc/20/80/71/1031208071.db2.gz RNROAWXMSIYYCV-GDBMZVCRSA-N 0 0 328.416 3.506 10 0 EHAERN COc1cc(C)ccc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174384547 1031209481 /nfs/dbraw/zinc/20/94/81/1031209481.db2.gz RNROAWXMSIYYCV-HOCLYGCPSA-N 0 0 328.416 3.506 10 0 EHAERN CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000174918650 1031258031 /nfs/dbraw/zinc/25/80/31/1031258031.db2.gz ZVZBOBGFACZIRO-ROUUACIJSA-N 0 0 339.439 3.523 10 0 EHAERN CCOc1ccc([C@@H]2CCCN2C(=O)c2ncncc2Cl)cc1 ZINC000175105074 1031275548 /nfs/dbraw/zinc/27/55/48/1031275548.db2.gz IGBRVXDHWUPDAB-HNNXBMFYSA-N 0 0 331.803 3.506 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3c3cccn3C)nc21 ZINC000175153993 1031282171 /nfs/dbraw/zinc/28/21/71/1031282171.db2.gz YAZSGCZPCQNEDS-KRWDZBQOSA-N 0 0 336.439 3.506 10 0 EHAERN CCC[C@H]1CCc2nc(NC(=O)c3ncncc3Cl)sc2C1 ZINC000175184124 1031307752 /nfs/dbraw/zinc/30/77/52/1031307752.db2.gz YKNXDRNQNYAEGJ-VIFPVBQESA-N 0 0 336.848 3.744 10 0 EHAERN CCN(C(=O)NC1CCN(c2ccc(C)cn2)CC1)C1CCCCC1 ZINC000175276938 1031321569 /nfs/dbraw/zinc/32/15/69/1031321569.db2.gz OSOFPWFVDWZWCS-UHFFFAOYSA-N 0 0 344.503 3.723 10 0 EHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC2(CCC2)C1 ZINC000158490843 1031381536 /nfs/dbraw/zinc/38/15/36/1031381536.db2.gz RYIMJIWKVOTGBU-UHFFFAOYSA-N 0 0 344.846 3.993 10 0 EHAERN Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177775902 1031566888 /nfs/dbraw/zinc/56/68/88/1031566888.db2.gz JBISOLRZPDHYLT-HNNXBMFYSA-N 0 0 344.484 3.610 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(-c4ccccc4)[nH]3)CCO2)o1 ZINC000178895587 1031737593 /nfs/dbraw/zinc/73/75/93/1031737593.db2.gz TYTLYUIEMBDRKP-IBGZPJMESA-N 0 0 336.391 3.797 10 0 EHAERN C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000178896651 1031738342 /nfs/dbraw/zinc/73/83/42/1031738342.db2.gz UUOOXBKTFVDMQP-YLZCUGDYSA-N 0 0 329.371 3.731 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000117579685 1031757348 /nfs/dbraw/zinc/75/73/48/1031757348.db2.gz GNEADIZPCSWWOY-NHYWBVRUSA-N 0 0 339.313 3.735 10 0 EHAERN COc1ccc2c(c1)[C@H](Nc1ccc3c(c1)NC(=O)CC3)CCCO2 ZINC000179891178 1031815108 /nfs/dbraw/zinc/81/51/08/1031815108.db2.gz AWUWMKXVZOZHNF-QGZVFWFLSA-N 0 0 338.407 3.906 10 0 EHAERN COc1cc(C)ccc1OCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117722351 1031843377 /nfs/dbraw/zinc/84/33/77/1031843377.db2.gz ZRRYKBURLACAMA-UHFFFAOYSA-N 0 0 343.448 3.760 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3nccc4ccccc43)CC2)nc1 ZINC000180855797 1031916646 /nfs/dbraw/zinc/91/66/46/1031916646.db2.gz IMGBQCJIQNOLIB-UHFFFAOYSA-N 0 0 347.418 3.622 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCCCCOC(C)C)C2)cc1 ZINC000181946842 1032045239 /nfs/dbraw/zinc/04/52/39/1032045239.db2.gz IYDUKPNDLMXJQX-SJLPKXTDSA-N 0 0 348.487 3.788 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000084231440 1033911616 /nfs/dbraw/zinc/91/16/16/1033911616.db2.gz BTDVXXARMIKTIK-NHYWBVRUSA-N 0 0 327.346 3.742 10 0 EHAERN CC1(C)C[C@@H](NC(=O)NCCOC2CCCC2)c2ccccc2O1 ZINC000158937589 1033955640 /nfs/dbraw/zinc/95/56/40/1033955640.db2.gz RIAZQRWPWHBFOR-MRXNPFEDSA-N 0 0 332.444 3.547 10 0 EHAERN Cn1c(=O)oc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc21 ZINC000102295759 1034481458 /nfs/dbraw/zinc/48/14/58/1034481458.db2.gz BURZVLKRQUUBQV-UHFFFAOYSA-N 0 0 342.738 3.783 10 0 EHAERN Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)cc2c1 ZINC000282198061 1035486228 /nfs/dbraw/zinc/48/62/28/1035486228.db2.gz SPXOQMQMGZEBOA-ZACQAIPSSA-N 0 0 327.424 3.897 10 0 EHAERN Cc1cn2c(CNCc3ncc(-c4ccccc4)cn3)c(C)nc2s1 ZINC000185878912 1035555878 /nfs/dbraw/zinc/55/58/78/1035555878.db2.gz ZDMNMCRSBTUIPF-UHFFFAOYSA-N 0 0 349.463 3.759 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cc(F)cc(F)c2)cs1 ZINC000186157221 1035592242 /nfs/dbraw/zinc/59/22/42/1035592242.db2.gz AAGZWTBMBFOBAS-HNNXBMFYSA-N 0 0 337.395 3.776 10 0 EHAERN CCc1noc(-c2ccc(C)c(NC(=O)N(CC)CC(F)F)c2)n1 ZINC000186422967 1035628925 /nfs/dbraw/zinc/62/89/25/1035628925.db2.gz UHBDWNCMPOELNZ-UHFFFAOYSA-N 0 0 338.358 3.726 10 0 EHAERN C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186673165 1035682337 /nfs/dbraw/zinc/68/23/37/1035682337.db2.gz CDFMFVFMPXOPRJ-OLZOCXBDSA-N 0 0 330.432 3.706 10 0 EHAERN C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186673206 1035683872 /nfs/dbraw/zinc/68/38/72/1035683872.db2.gz CDFMFVFMPXOPRJ-CHWSQXEVSA-N 0 0 330.432 3.706 10 0 EHAERN C[C@H](NC(=O)N1CCN(C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000105078149 1035685445 /nfs/dbraw/zinc/68/54/45/1035685445.db2.gz GVZSXUGBGRNBQZ-NSHDSACASA-N 0 0 342.270 3.544 10 0 EHAERN CC1CCC(C)(NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186692152 1035687980 /nfs/dbraw/zinc/68/79/80/1035687980.db2.gz XKMPQORDQDDPBB-UHFFFAOYSA-N 0 0 330.432 3.754 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000174912396 1035777906 /nfs/dbraw/zinc/77/79/06/1035777906.db2.gz AUBCVYOIBZQCRM-NEPJUHHUSA-N 0 0 336.486 3.558 10 0 EHAERN COc1cnccc1[C@H](C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000187217208 1035788858 /nfs/dbraw/zinc/78/88/58/1035788858.db2.gz VYAJFNROLKVVFI-ZDUSSCGKSA-N 0 0 343.452 3.712 10 0 EHAERN CCc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(O)c1 ZINC000187836852 1035863455 /nfs/dbraw/zinc/86/34/55/1035863455.db2.gz VPVKSDLSMMEMKA-UHFFFAOYSA-N 0 0 342.414 3.810 10 0 EHAERN Cc1noc(Cl)c1CCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188098021 1035894084 /nfs/dbraw/zinc/89/40/84/1035894084.db2.gz QWESWWUSUQEGSR-AWEZNQCLSA-N 0 0 334.803 3.517 10 0 EHAERN COCc1cccc(CC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000188096774 1035894371 /nfs/dbraw/zinc/89/43/71/1035894371.db2.gz LKPMCCIWNBGXER-UHFFFAOYSA-N 0 0 327.449 3.753 10 0 EHAERN O=C(Nc1ccsc1Cl)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000189380940 1036062519 /nfs/dbraw/zinc/06/25/19/1036062519.db2.gz LYGCWRLONLDBFR-GFCCVEGCSA-N 0 0 344.864 3.593 10 0 EHAERN Cn1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)c2ccccc21 ZINC000189782508 1036126406 /nfs/dbraw/zinc/12/64/06/1036126406.db2.gz KXGJNGSHAWYEPH-UHFFFAOYSA-N 0 0 346.430 3.887 10 0 EHAERN Cc1cc(F)ccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189800244 1036127661 /nfs/dbraw/zinc/12/76/61/1036127661.db2.gz FUZWXDPMDRHUCD-UHFFFAOYSA-N 0 0 325.383 3.843 10 0 EHAERN CC(=O)c1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189787897 1036128518 /nfs/dbraw/zinc/12/85/18/1036128518.db2.gz MBCYSFYPOJVNHV-UHFFFAOYSA-N 0 0 335.403 3.598 10 0 EHAERN O=C(CSc1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189803890 1036146908 /nfs/dbraw/zinc/14/69/08/1036146908.db2.gz LOJMYLBYTJVFDI-UHFFFAOYSA-N 0 0 339.460 3.874 10 0 EHAERN CCCCCC[C@@H](C)NC(=O)N1CCOC[C@@H]1c1nc(C)cs1 ZINC000189959530 1036167098 /nfs/dbraw/zinc/16/70/98/1036167098.db2.gz WVLMDCDFZMJONK-UKRRQHHQSA-N 0 0 339.505 3.893 10 0 EHAERN CC(C)(C(=O)N1CCC(Nc2nccs2)CC1)c1ccc(F)cc1 ZINC000190381629 1036231039 /nfs/dbraw/zinc/23/10/39/1036231039.db2.gz REYYZDFQUULBSJ-UHFFFAOYSA-N 0 0 347.459 3.663 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2ccc(-n3ccnc3)cc2)n1 ZINC000190396247 1036234583 /nfs/dbraw/zinc/23/45/83/1036234583.db2.gz JXJSDCORWXFSFZ-HOTGVXAUSA-N 0 0 338.411 3.841 10 0 EHAERN Cc1cc(C)c(C(=O)N2CCC(Nc3nccs3)CC2)c(C)c1 ZINC000190409355 1036235640 /nfs/dbraw/zinc/23/56/40/1036235640.db2.gz RWJMOMDOHWLXLO-UHFFFAOYSA-N 0 0 329.469 3.785 10 0 EHAERN Cc1csc(NC(=O)N2CC3(CCOCC3)c3ccccc32)n1 ZINC000191141758 1036342244 /nfs/dbraw/zinc/34/22/44/1036342244.db2.gz FZBOWKWONWGWRZ-UHFFFAOYSA-N 0 0 329.425 3.552 10 0 EHAERN O=C([C@H]1CC1(Cl)Cl)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191207155 1036348513 /nfs/dbraw/zinc/34/85/13/1036348513.db2.gz ZBLGEWUWTOGQPA-BXKDBHETSA-N 0 0 334.193 3.865 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191532616 1036409848 /nfs/dbraw/zinc/40/98/48/1036409848.db2.gz RSMPMVUDUZBLKX-DNVCBOLYSA-N 0 0 345.389 3.795 10 0 EHAERN CC(C)c1ccc(NC(=O)N2CCCN(C)C(=O)C2)c(C(C)C)c1 ZINC000191860334 1036451874 /nfs/dbraw/zinc/45/18/74/1036451874.db2.gz URAIVEDREIHASW-UHFFFAOYSA-N 0 0 331.460 3.629 10 0 EHAERN COCc1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000192592393 1036531358 /nfs/dbraw/zinc/53/13/58/1036531358.db2.gz AWGSNPVTBRTPMM-SFHVURJKSA-N 0 0 325.412 3.551 10 0 EHAERN COc1cc(SC)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000192693727 1036539953 /nfs/dbraw/zinc/53/99/53/1036539953.db2.gz OOWUVHNYJQGQLX-APPDUMDISA-N 0 0 329.421 3.920 10 0 EHAERN Cc1cnn(-c2ccc(C)cc2NC(=O)[C@H]2CCCc3cccnc32)c1 ZINC000192800139 1036550311 /nfs/dbraw/zinc/55/03/11/1036550311.db2.gz YHUOYLHUGKTTIX-KRWDZBQOSA-N 0 0 346.434 3.943 10 0 EHAERN CC(C)COC1CCN(C(=O)Cc2csc(C(C)(C)C)n2)CC1 ZINC000102606151 1036749000 /nfs/dbraw/zinc/74/90/00/1036749000.db2.gz LWTPFIXCBYULDV-UHFFFAOYSA-N 0 0 338.517 3.647 10 0 EHAERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000103974689 1036957896 /nfs/dbraw/zinc/95/78/96/1036957896.db2.gz SRIHRNFFFLBDIY-GFCCVEGCSA-N 0 0 336.794 3.591 10 0 EHAERN O=C(c1cccc2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000104525753 1037055419 /nfs/dbraw/zinc/05/54/19/1037055419.db2.gz LXNNHCSXZRZHSP-IRXDYDNUSA-N 0 0 341.476 3.967 10 0 EHAERN O=C(c1ccoc1Br)N1CCC[C@@H](c2nccs2)C1 ZINC000193537986 1037163467 /nfs/dbraw/zinc/16/34/67/1037163467.db2.gz GPJJRQOGRFAOAB-SECBINFHSA-N 0 0 341.230 3.518 10 0 EHAERN COC(=O)c1c[nH]c(SCc2ncc(-c3ccccc3Cl)o2)n1 ZINC000193541264 1037180523 /nfs/dbraw/zinc/18/05/23/1037180523.db2.gz OQGLYMNPSJBTFJ-UHFFFAOYSA-N 0 0 349.799 3.797 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000176850431 1037218706 /nfs/dbraw/zinc/21/87/06/1037218706.db2.gz HCFRJAQLXFXSNU-UONOGXRCSA-N 0 0 331.309 3.628 10 0 EHAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1c(Cl)cccc1Cl ZINC000105669553 1037235933 /nfs/dbraw/zinc/23/59/33/1037235933.db2.gz WWXWEDCFKFEEPN-HXUWFJFHSA-N 0 0 336.284 3.547 10 0 EHAERN CCOc1ccc(CNC(=O)c2coc(Br)c2)cc1F ZINC000105984911 1037289859 /nfs/dbraw/zinc/28/98/59/1037289859.db2.gz VOIJHZBCMUGRNY-UHFFFAOYSA-N 0 0 342.164 3.510 10 0 EHAERN COc1cc(C2(C(=O)Nc3cccc(-c4ncon4)c3)CC2)ccc1C ZINC000101524817 1037569389 /nfs/dbraw/zinc/56/93/89/1037569389.db2.gz MQOLLNJCVVONNM-UHFFFAOYSA-N 0 0 349.390 3.724 10 0 EHAERN CC(C)(C)CCCC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000103387582 1037589375 /nfs/dbraw/zinc/58/93/75/1037589375.db2.gz MLDLGUQJJOUFGK-UHFFFAOYSA-N 0 0 336.520 3.890 10 0 EHAERN C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)C(C)(C)C ZINC000112462212 1037762835 /nfs/dbraw/zinc/76/28/35/1037762835.db2.gz CXOFRMMIADAHNA-ZDUSSCGKSA-N 0 0 349.450 3.620 10 0 EHAERN CS[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218976 1037780256 /nfs/dbraw/zinc/78/02/56/1037780256.db2.gz LAMUIZWDAOPITO-ZFWWWQNUSA-N 0 0 329.469 3.534 10 0 EHAERN CC(=O)Nc1cc(C(=O)N2CC=C(c3cccs3)CC2)ccc1F ZINC000117719985 1037862055 /nfs/dbraw/zinc/86/20/55/1037862055.db2.gz IUKORMSMMVGXHZ-UHFFFAOYSA-N 0 0 344.411 3.775 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCc1cc2ccccc2o1 ZINC000105156453 1037873416 /nfs/dbraw/zinc/87/34/16/1037873416.db2.gz AXNIKASSHKCXEZ-UHFFFAOYSA-N 0 0 337.423 3.992 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000332926637 1037965367 /nfs/dbraw/zinc/96/53/67/1037965367.db2.gz KVWRXVKFIYLTJO-HSMVNMDESA-N 0 0 337.489 3.502 10 0 EHAERN CCN(C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F)[C@@H](C)C(C)C ZINC000124446898 1038189327 /nfs/dbraw/zinc/18/93/27/1038189327.db2.gz KHPOXPVKMPLWBK-BLLLJJGKSA-N 0 0 348.422 3.683 10 0 EHAERN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000408065297 1038316068 /nfs/dbraw/zinc/31/60/68/1038316068.db2.gz NNMUFSWXUDRHAL-VPWXQRGCSA-N 0 0 347.503 3.572 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CCC3(C2)CCOCC3)c1 ZINC000408073426 1038635878 /nfs/dbraw/zinc/63/58/78/1038635878.db2.gz VYOLSWXUVYUIGI-UHFFFAOYSA-N 0 0 325.412 3.578 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)CC2(C)CCCCC2)cs1 ZINC000330219428 1038854928 /nfs/dbraw/zinc/85/49/28/1038854928.db2.gz PNQUWDVTOWOZMH-HNNXBMFYSA-N 0 0 342.530 3.889 10 0 EHAERN C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CCC(C)(O)CC1)c1ccc(Cl)cc1 ZINC000245781109 1038890167 /nfs/dbraw/zinc/89/01/67/1038890167.db2.gz RMWYQKWPMRBMFT-WQVCFCJDSA-N 0 0 336.863 3.594 10 0 EHAERN CN(C)c1nc2ccc(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)cc2o1 ZINC000125524604 1039187819 /nfs/dbraw/zinc/18/78/19/1039187819.db2.gz UHDVPOVRQGMNDK-STQMWFEESA-N 0 0 328.416 3.548 10 0 EHAERN CO[C@@H]1CCCN(C(=O)Nc2cc3sc(C)nc3cc2Cl)C1 ZINC000408406165 1039315572 /nfs/dbraw/zinc/31/55/72/1039315572.db2.gz TVDSGAQQFCOOBZ-SNVBAGLBSA-N 0 0 339.848 3.901 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1F ZINC000151347617 1040043372 /nfs/dbraw/zinc/04/33/72/1040043372.db2.gz NWXWUEZHOFTPHY-HOCLYGCPSA-N 0 0 334.435 3.986 10 0 EHAERN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332673869 1040102335 /nfs/dbraw/zinc/10/23/35/1040102335.db2.gz ASNCKKWYDYYVDV-XZKMEQPCSA-N 0 0 348.874 3.533 10 0 EHAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000332805516 1040129992 /nfs/dbraw/zinc/12/99/92/1040129992.db2.gz BBBGRNUGYXFQBP-BZUAXINKSA-N 0 0 346.519 3.716 10 0 EHAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151508683 1040194774 /nfs/dbraw/zinc/19/47/74/1040194774.db2.gz JZMDGTQDQYKXKL-AUUYWEPGSA-N 0 0 346.858 3.517 10 0 EHAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000245726214 1040458398 /nfs/dbraw/zinc/45/83/98/1040458398.db2.gz SAOWNARQZNROMY-INWMFGNUSA-N 0 0 342.464 3.965 10 0 EHAERN CC[C@@H]1CN([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@@H](C)O1 ZINC000253542245 1040909942 /nfs/dbraw/zinc/90/99/42/1040909942.db2.gz LMXGPSCSXIEFHI-SUZMYJTESA-N 0 0 335.473 3.574 10 0 EHAERN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000333035459 1041081833 /nfs/dbraw/zinc/08/18/33/1041081833.db2.gz BHLIHAAVEDMHGY-CJNGLKHVSA-N 0 0 344.846 3.662 10 0 EHAERN COc1ccc2c(CC(=O)NCc3ccccc3Cl)coc2c1 ZINC000003562269 1041203966 /nfs/dbraw/zinc/20/39/66/1041203966.db2.gz VNXZOICMWKWZBS-UHFFFAOYSA-N 0 0 329.783 3.954 10 0 EHAERN O=C1C[C@H](c2nc(Cc3ccccc3Cl)no2)c2ccccc2N1 ZINC000109539953 1041383184 /nfs/dbraw/zinc/38/31/84/1041383184.db2.gz DPELBUFCSGVCEY-ZDUSSCGKSA-N 0 0 339.782 3.788 10 0 EHAERN O=C(NC1CCC2(CC2)CC1)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333158422 1041384601 /nfs/dbraw/zinc/38/46/01/1041384601.db2.gz GUTFKQYMXFHZJV-LSDHHAIUSA-N 0 0 334.485 3.990 10 0 EHAERN C[C@@H](NC(=O)N(C)C1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000043481674 1041576254 /nfs/dbraw/zinc/57/62/54/1041576254.db2.gz OIKAXCPNNRYHEU-NPCAHTBFSA-N 0 0 332.444 3.739 10 0 EHAERN C[C@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)[C@@H]1CO ZINC000408138035 1041775774 /nfs/dbraw/zinc/77/57/74/1041775774.db2.gz LDMAQVLJCUXJRH-TVQRCGJNSA-N 0 0 341.238 3.708 10 0 EHAERN CC1(C)C[C@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C(C)(C)O1 ZINC000408140133 1041776864 /nfs/dbraw/zinc/77/68/64/1041776864.db2.gz IQOCJKZOSFNKCS-MCIGGMRASA-N 0 0 336.398 3.753 10 0 EHAERN CC(C)c1nc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000408156781 1041895140 /nfs/dbraw/zinc/89/51/40/1041895140.db2.gz BYRKDBWEHOSIEW-KFWWJZLASA-N 0 0 349.475 3.555 10 0 EHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000247292054 1042516148 /nfs/dbraw/zinc/51/61/48/1042516148.db2.gz GMNRWHZATVYOTA-BPQIPLTHSA-N 0 0 342.487 3.535 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000162540537 1042737021 /nfs/dbraw/zinc/73/70/21/1042737021.db2.gz VSEHRUDXYPLJIT-BTDLBPIBSA-N 0 0 346.356 3.971 10 0 EHAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)n1 ZINC000408231144 1042802862 /nfs/dbraw/zinc/80/28/62/1042802862.db2.gz LCZTUWGMDLCMJP-HOCLYGCPSA-N 0 0 346.500 3.540 10 0 EHAERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@@H]2[C@@H](C)C2(F)F)no1 ZINC000408232634 1042807172 /nfs/dbraw/zinc/80/71/72/1042807172.db2.gz VDNRWCAEIFBPIJ-WOPDTQHZSA-N 0 0 327.375 3.538 10 0 EHAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CCC[C@H]2CCC[C@H]21 ZINC000408359138 1043692450 /nfs/dbraw/zinc/69/24/50/1043692450.db2.gz SICAZCHPXBXZKW-CZUORRHYSA-N 0 0 328.391 3.808 10 0 EHAERN CC(C)[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000112451753 1044608700 /nfs/dbraw/zinc/60/87/00/1044608700.db2.gz UXZFARYMKHIBTH-GXTWGEPZSA-N 0 0 345.447 3.563 10 0 EHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000104973280 1127904620 /nfs/dbraw/zinc/90/46/20/1127904620.db2.gz DKSLUJDCCGGAQT-LBPRGKRZSA-N 0 0 339.222 3.719 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000268475987 1128539402 /nfs/dbraw/zinc/53/94/02/1128539402.db2.gz NRBZOTUVKLWENW-VVLHAWIVSA-N 0 0 332.444 3.646 10 0 EHAERN O=C(c1cccc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000000496782 1120994304 /nfs/dbraw/zinc/99/43/04/1120994304.db2.gz MMYMBDDAJVFJNW-UHFFFAOYSA-N 0 0 334.394 3.941 10 0 EHAERN CC[C@H](CC(=O)NCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000103443885 1132894904 /nfs/dbraw/zinc/89/49/04/1132894904.db2.gz VQKJVVSNOPCSSV-OAHLLOKOSA-N 0 0 334.460 3.601 10 0 EHAERN COc1ccc2c(CC(=O)OCc3ccnc(Cl)c3)coc2c1 ZINC000101963368 1135434717 /nfs/dbraw/zinc/43/47/17/1135434717.db2.gz XSZLEXWHJWTPSQ-UHFFFAOYSA-N 0 0 331.755 3.776 10 0 EHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)N1CCCCCCC1 ZINC000102567682 1135593982 /nfs/dbraw/zinc/59/39/82/1135593982.db2.gz KHHZGWRSUFXPKB-UHFFFAOYSA-N 0 0 345.418 3.999 10 0 EHAERN COC(=O)/C(=C/c1cccc(OCC(F)(F)F)c1)c1ccncc1 ZINC000102827592 1135662256 /nfs/dbraw/zinc/66/22/56/1135662256.db2.gz FPFPHNKRVGHESK-XNTDXEJSSA-N 0 0 337.297 3.736 10 0 EHAERN CN(C(N)=O)c1ccc(OC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000102916502 1135692925 /nfs/dbraw/zinc/69/29/25/1135692925.db2.gz GTFGABVMMQNARG-UHFFFAOYSA-N 0 0 344.754 3.820 10 0 EHAERN COc1cc(OC)cc(OC(=O)c2sccc2OC(F)F)c1 ZINC000105364550 1135944501 /nfs/dbraw/zinc/94/45/01/1135944501.db2.gz WLVRIQRXRGHGES-UHFFFAOYSA-N 0 0 330.308 3.586 10 0 EHAERN CCOCCO[C@@H](C)C(=O)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000105766941 1135975436 /nfs/dbraw/zinc/97/54/36/1135975436.db2.gz YMPPTYRSMHISNN-KXBFYZLASA-N 0 0 346.398 3.900 10 0 EHAERN CC[C@@H](COC(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000105774312 1135975842 /nfs/dbraw/zinc/97/58/42/1135975842.db2.gz BMOMBUYOXMJVTP-HNNXBMFYSA-N 0 0 325.408 3.739 10 0 EHAERN CCOCCO[C@H](C)C(=O)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000105766944 1135975906 /nfs/dbraw/zinc/97/59/06/1135975906.db2.gz YMPPTYRSMHISNN-BEFAXECRSA-N 0 0 346.398 3.900 10 0 EHAERN Cc1nc(CC(=O)OCCc2ccccc2C(F)(F)F)cs1 ZINC000105776344 1135976193 /nfs/dbraw/zinc/97/61/93/1135976193.db2.gz YUDYPBCBPFAOKQ-UHFFFAOYSA-N 0 0 329.343 3.799 10 0 EHAERN CCCc1noc(CCCC(=O)Oc2ccccc2OC(F)F)n1 ZINC000106028301 1136025933 /nfs/dbraw/zinc/02/59/33/1136025933.db2.gz PIDXTCYABHBLNP-UHFFFAOYSA-N 0 0 340.326 3.552 10 0 EHAERN Cc1nnc(SCC(=O)O[C@H](C)CC(C)C)n1Cc1ccccc1 ZINC000103673823 1137470756 /nfs/dbraw/zinc/47/07/56/1137470756.db2.gz YRJBJIGVTPBODO-CQSZACIVSA-N 0 0 347.484 3.705 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000102378942 1137872866 /nfs/dbraw/zinc/87/28/66/1137872866.db2.gz QTDHUWUSYZOBFV-UHFFFAOYSA-N 0 0 344.842 3.839 10 0 EHAERN CC(C)N(C(=O)c1ccc(C(=O)N(C)C)cc1)c1ccc(F)cc1 ZINC000102853736 1137874256 /nfs/dbraw/zinc/87/42/56/1137874256.db2.gz OVHSCYHWTZUOGR-UHFFFAOYSA-N 0 0 328.387 3.583 10 0 EHAERN CC(C)[C@@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccccc1 ZINC000103075830 1137875136 /nfs/dbraw/zinc/87/51/36/1137875136.db2.gz UFPQFOLZDPCWHP-LJQANCHMSA-N 0 0 348.450 3.713 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000104973898 1137879823 /nfs/dbraw/zinc/87/98/23/1137879823.db2.gz ZHKAXRAGFDBGCX-UHFFFAOYSA-N 0 0 343.427 3.585 10 0 EHAERN Cc1noc(CCNC(=O)Nc2ccc(SC(C)(C)C)cc2C)n1 ZINC000105031338 1137879987 /nfs/dbraw/zinc/87/99/87/1137879987.db2.gz NLRPXSZVVOWBIY-UHFFFAOYSA-N 0 0 348.472 3.941 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCc1cccc(C)c1 ZINC000105214056 1137880577 /nfs/dbraw/zinc/88/05/77/1137880577.db2.gz UMMHVTGHYGLFIV-UHFFFAOYSA-N 0 0 325.456 3.597 10 0 EHAERN Cc1noc(C)c1-c1noc(-c2cn(C)nc2C2CCCCC2)n1 ZINC000333239755 1137959097 /nfs/dbraw/zinc/95/90/97/1137959097.db2.gz PVQQTRXBXDQRPE-UHFFFAOYSA-N 0 0 327.388 3.790 10 0 EHAERN Cc1ccnc(-c2noc([C@H]3C4CCC(CC4)[C@@H]3C(F)(F)F)n2)n1 ZINC000333573292 1138305593 /nfs/dbraw/zinc/30/55/93/1138305593.db2.gz MSPRLUGTMKKZCV-QQFIATSDSA-N 0 0 338.333 3.917 10 0 EHAERN O=C1NCCc2c(N[C@@H]3CCCOc4cc5c(cc43)CCC5)cccc21 ZINC000333944315 1138351191 /nfs/dbraw/zinc/35/11/91/1138351191.db2.gz RUQYUXNGUZMOKS-HXUWFJFHSA-N 0 0 348.446 3.787 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCOc3ccccc32)cs1 ZINC000186258591 1140194980 /nfs/dbraw/zinc/19/49/80/1140194980.db2.gz ZBJUFQNUXFPWFY-GDBMZVCRSA-N 0 0 343.452 3.822 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cc(F)ccc2F)cs1 ZINC000186573325 1140210997 /nfs/dbraw/zinc/21/09/97/1140210997.db2.gz PLDRCTVEMNUSIZ-HNNXBMFYSA-N 0 0 337.395 3.776 10 0 EHAERN COc1cc(F)cc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187350438 1140251384 /nfs/dbraw/zinc/25/13/84/1140251384.db2.gz NBFQYCLLNJKTDW-INIZCTEOSA-N 0 0 349.431 3.646 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCO3)cs1 ZINC000188534139 1140300301 /nfs/dbraw/zinc/30/03/01/1140300301.db2.gz IQDATJIJPZDDNZ-HNNXBMFYSA-N 0 0 329.425 3.755 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(CC(C)C)cc2)C1 ZINC000189314860 1140334771 /nfs/dbraw/zinc/33/47/71/1140334771.db2.gz HDMAJSHFFUQWBM-ZWKOTPCHSA-N 0 0 329.444 3.539 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000189328582 1140336370 /nfs/dbraw/zinc/33/63/70/1140336370.db2.gz NLYZXWDAOWQWCQ-DLBZAZTESA-N 0 0 329.444 3.638 10 0 EHAERN COc1ccc(C)cc1NC(=O)CN1CCC[C@H]1c1csc(C)n1 ZINC000189806991 1140365666 /nfs/dbraw/zinc/36/56/66/1140365666.db2.gz VDHYZWBKPUYIIZ-INIZCTEOSA-N 0 0 345.468 3.544 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Cl)cc2Cl)C1 ZINC000190101339 1140386523 /nfs/dbraw/zinc/38/65/23/1140386523.db2.gz CQGUFKZDEAINGG-OCCSQVGLSA-N 0 0 342.226 3.647 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(CC(C)C)cc2)C1 ZINC000190098527 1140386533 /nfs/dbraw/zinc/38/65/33/1140386533.db2.gz HDMAJSHFFUQWBM-QZTJIDSGSA-N 0 0 329.444 3.539 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)N[C@H]1CCc2c1cccc2F ZINC000056860100 214391625 /nfs/dbraw/zinc/39/16/25/214391625.db2.gz BOJCUXBPEPKFRS-SFHVURJKSA-N 0 0 330.378 3.836 10 0 EHAERN CCC(=O)Oc1c(C)s/c(=N\c2ccccc2C)n1C(=O)CC ZINC000011638104 201810795 /nfs/dbraw/zinc/81/07/95/201810795.db2.gz MTYQODISZMASAY-ZCXUNETKSA-N 0 0 332.425 3.764 10 0 EHAERN CSc1ccc(-c2n[nH]c3c2C(=O)c2c-3cccc2NC(C)=O)cc1 ZINC000013492158 201897512 /nfs/dbraw/zinc/89/75/12/201897512.db2.gz OEPQRCGRENMLBF-UHFFFAOYSA-N 0 0 349.415 3.968 10 0 EHAERN COc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1Cl ZINC000014008952 201923959 /nfs/dbraw/zinc/92/39/59/201923959.db2.gz ORDJUYLIXIURNN-UHFFFAOYSA-N 0 0 348.855 3.794 10 0 EHAERN CCn1nnc2cc(C(=O)N[C@H](C)c3cccc(Cl)c3)ccc21 ZINC000015561995 201958617 /nfs/dbraw/zinc/95/86/17/201958617.db2.gz JMUGFJNYVLMLAD-LLVKDONJSA-N 0 0 328.803 3.596 10 0 EHAERN Nc1ccc(NC(=O)c2ccc(Br)s2)c(Cl)c1 ZINC000019397636 202007279 /nfs/dbraw/zinc/00/72/79/202007279.db2.gz OWKKETSKFWHWQK-UHFFFAOYSA-N 0 0 331.622 3.999 10 0 EHAERN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1Br ZINC000037977082 202071678 /nfs/dbraw/zinc/07/16/78/202071678.db2.gz SJFFJSVCVPALOR-JTQLQIEISA-N 0 0 338.201 3.850 10 0 EHAERN COc1cccc(CCNC(=O)c2cc(-c3cccc(C)c3)on2)c1 ZINC000022640073 202089042 /nfs/dbraw/zinc/08/90/42/202089042.db2.gz UFDKFQAWQXHADL-UHFFFAOYSA-N 0 0 336.391 3.631 10 0 EHAERN C[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000024349123 202114424 /nfs/dbraw/zinc/11/44/24/202114424.db2.gz AORRPSDBSJQADM-HOCLYGCPSA-N 0 0 332.444 3.511 10 0 EHAERN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000024349791 202115231 /nfs/dbraw/zinc/11/52/31/202115231.db2.gz SDPCGVCJUYQETN-HNNXBMFYSA-N 0 0 332.444 3.889 10 0 EHAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000025383395 202130944 /nfs/dbraw/zinc/13/09/44/202130944.db2.gz NXWMDDXKPLQIKA-SUMWQHHRSA-N 0 0 328.387 3.609 10 0 EHAERN Cc1noc(C)c1COc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000026641445 202146940 /nfs/dbraw/zinc/14/69/40/202146940.db2.gz RNTQUHOVVIKBRL-UHFFFAOYSA-N 0 0 328.412 3.743 10 0 EHAERN CC(=O)Nc1nc2ncncc2cc1-c1c(Cl)cccc1Cl ZINC000027406632 202154912 /nfs/dbraw/zinc/15/49/12/202154912.db2.gz IFZZIWTVNOSPGS-UHFFFAOYSA-N 0 0 333.178 3.957 10 0 EHAERN COC(=O)c1cc(Br)cc(Br)c1Cl ZINC000028278714 202169614 /nfs/dbraw/zinc/16/96/14/202169614.db2.gz IEFLXDSBEPOEKY-UHFFFAOYSA-N 0 0 328.387 3.652 10 0 EHAERN Cc1cc(C)c(NC(=O)Cn2c(=O)cc(C)c3ccccc32)c(C)c1 ZINC000032530397 202226293 /nfs/dbraw/zinc/22/62/93/202226293.db2.gz LIUPSLFAGUKBSN-UHFFFAOYSA-N 0 0 334.419 3.874 10 0 EHAERN COC(=O)c1ccc2c(c1)nc(SC)nc2NCc1ccccc1 ZINC000032918919 202242071 /nfs/dbraw/zinc/24/20/71/202242071.db2.gz YXTAPGPYXHNSNZ-UHFFFAOYSA-N 0 0 339.420 3.750 10 0 EHAERN CCCOc1ccc2cc(C(=O)Nc3ccc(F)cc3)c(=O)oc2c1 ZINC000033811164 212964046 /nfs/dbraw/zinc/96/40/46/212964046.db2.gz JBBHDDXYOYHSSH-UHFFFAOYSA-N 0 0 341.338 3.973 10 0 EHAERN N[C@@H](c1nc(-c2cccc(Br)c2)no1)c1ccccc1 ZINC000034973411 202282315 /nfs/dbraw/zinc/28/23/15/202282315.db2.gz BNWMONGDHVIVPX-CYBMUJFWSA-N 0 0 330.185 3.547 10 0 EHAERN O=C(c1ccc(I)cc1)c1ccc(F)cc1F ZINC000036940623 202334079 /nfs/dbraw/zinc/33/40/79/202334079.db2.gz MFKOXSGNPRZRAU-UHFFFAOYSA-N 0 0 344.098 3.800 10 0 EHAERN CC[C@@H](C)C[C@@](CC)(Nc1cccc(Br)c1)C(N)=O ZINC000037944393 202380219 /nfs/dbraw/zinc/38/02/19/202380219.db2.gz OGBVJJHKNATCKQ-IAQYHMDHSA-N 0 0 327.266 3.931 10 0 EHAERN O=C([O-])[C@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1F ZINC000037971831 202382317 /nfs/dbraw/zinc/38/23/17/202382317.db2.gz HXGWSLZOGAHEQM-CYBMUJFWSA-N 0 0 330.197 3.636 10 0 EHAERN Cc1ccnc(Nc2ncnc(Nc3cccc4ncccc43)c2N)c1 ZINC000040701413 202460525 /nfs/dbraw/zinc/46/05/25/202460525.db2.gz RBOWKAHEUUMTIK-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCc4ccccc43)c2)no1 ZINC000119897806 201080600 /nfs/dbraw/zinc/08/06/00/201080600.db2.gz GPHXLXQCTUORPV-QGZVFWFLSA-N 0 0 334.379 3.854 10 0 EHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2ncccc2c1 ZINC000072010289 201172202 /nfs/dbraw/zinc/17/22/02/201172202.db2.gz HGLVRWLSDRDEKD-QGZVFWFLSA-N 0 0 349.415 3.676 10 0 EHAERN CCCCn1nc2cc(C(=O)NCc3ccccc3)ccc2c1OC ZINC000090442540 201371427 /nfs/dbraw/zinc/37/14/27/201371427.db2.gz LIUKOCFAJQRZFC-UHFFFAOYSA-N 0 0 337.423 3.775 10 0 EHAERN CCN(CCNc1ccccc1Br)CC(F)(F)F ZINC000053390020 202657343 /nfs/dbraw/zinc/65/73/43/202657343.db2.gz NIUYAZDBRNKWSP-UHFFFAOYSA-N 0 0 325.172 3.745 10 0 EHAERN Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000022214023 212282905 /nfs/dbraw/zinc/28/29/05/212282905.db2.gz ZQMNRGLDEXKCCI-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN Cc1ccc(N)cc1NC(=O)CCOc1ccc(Br)cc1 ZINC000022172011 212279985 /nfs/dbraw/zinc/27/99/85/212279985.db2.gz IYOINSAKGDEJKB-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccccc1F ZINC000065226134 202829984 /nfs/dbraw/zinc/82/99/84/202829984.db2.gz CBQBSJZDBVIUNT-FQEVSTJZSA-N 0 0 327.399 3.694 10 0 EHAERN CC(C)CCC[C@H](C)NS(=O)(=O)c1cccc(Br)c1 ZINC000070135699 203073581 /nfs/dbraw/zinc/07/35/81/203073581.db2.gz LPRJTFPXRWZFEA-LBPRGKRZSA-N 0 0 348.306 3.942 10 0 EHAERN CCOC(=O)N(CCNC(=O)OC(C)(C)C)[C@H](C)c1ccccc1 ZINC000253560648 244025604 /nfs/dbraw/zinc/02/56/04/244025604.db2.gz BBEVKCBCBHASHY-CQSZACIVSA-N 0 0 336.432 3.731 10 0 EHAERN Cc1ccc(-c2c(CO)nnn2-c2ccccc2C(F)(F)F)cc1 ZINC000070457311 203077022 /nfs/dbraw/zinc/07/70/22/203077022.db2.gz DJLIBPJDMPASRM-UHFFFAOYSA-N 0 0 333.313 3.754 10 0 EHAERN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]1OCCC(=O)[C@@H]12 ZINC000253596614 244031801 /nfs/dbraw/zinc/03/18/01/244031801.db2.gz UBWYZPIHNVMDTI-QKHKWMJWSA-N 0 0 344.495 3.894 10 0 EHAERN C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]1(O)CCc1ccoc1 ZINC000071745676 203104558 /nfs/dbraw/zinc/10/45/58/203104558.db2.gz HQLLRHCTVDVUJB-SZBXVYAMSA-N 0 0 332.440 3.721 10 0 EHAERN CC(C)(C)OC(=O)N1CCN(c2cccc3ccc(O)cc32)CC1 ZINC000071795046 203114748 /nfs/dbraw/zinc/11/47/48/203114748.db2.gz IUXYRKGJIBXFAA-UHFFFAOYSA-N 0 0 328.412 3.603 10 0 EHAERN CCC(CC)NC(=O)[C@H](C)Nc1ccc(Br)cc1F ZINC000020420297 212128277 /nfs/dbraw/zinc/12/82/77/212128277.db2.gz XNMGELKJUCVTAL-VIFPVBQESA-N 0 0 331.229 3.693 10 0 EHAERN COc1ccc(N)cc1-c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000072237623 203184437 /nfs/dbraw/zinc/18/44/37/203184437.db2.gz KFTBMSRVJXEBLF-UHFFFAOYSA-N 0 0 334.301 3.748 10 0 EHAERN C[C@@H]1CN(c2nc3ccccc3c(Nc3ccccc3)n2)C[C@@H](C)O1 ZINC000072260479 203186248 /nfs/dbraw/zinc/18/62/48/203186248.db2.gz AGUOVRYQAZGLPK-HUUCEWRRSA-N 0 0 334.423 3.987 10 0 EHAERN Cc1ccc(OCC(=O)Nc2cccc(N)c2C)c(Br)c1 ZINC000020077804 212099692 /nfs/dbraw/zinc/09/96/92/212099692.db2.gz HZCFUMYLYLZMTG-UHFFFAOYSA-N 0 0 349.228 3.666 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(=O)c2ccc(Br)cc21 ZINC000077034299 203369304 /nfs/dbraw/zinc/36/93/04/203369304.db2.gz KWUVVIPLFNGFMD-UHFFFAOYSA-N 0 0 326.190 3.777 10 0 EHAERN Cc1ccc(OCCC[C@H]2CCCCN2C(=O)OC(C)(C)C)nn1 ZINC000095090214 203713375 /nfs/dbraw/zinc/71/33/75/203713375.db2.gz FROURAWUUGEFEU-OAHLLOKOSA-N 0 0 335.448 3.734 10 0 EHAERN COc1ccc(C(=O)Nc2ccc(C)cc2Br)c(O)c1 ZINC000019426222 212027369 /nfs/dbraw/zinc/02/73/69/212027369.db2.gz YQDQKCMSVSGREW-UHFFFAOYSA-N 0 0 336.185 3.724 10 0 EHAERN CCOC(=O)c1cnn2c1nc(-c1ccc(CC)cc1)cc2Cl ZINC000098179987 203986487 /nfs/dbraw/zinc/98/64/87/203986487.db2.gz GHZLSHLQRLIHRX-UHFFFAOYSA-N 0 0 329.787 3.789 10 0 EHAERN Cc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1N ZINC000042359933 204089199 /nfs/dbraw/zinc/08/91/99/204089199.db2.gz WFKCVHKBAYOREC-UHFFFAOYSA-N 0 0 339.258 3.673 10 0 EHAERN Cc1c(Cl)ncnc1N(C)Cc1ccccc1Br ZINC000104221357 204101130 /nfs/dbraw/zinc/10/11/30/204101130.db2.gz IDOFYPLUBMHXFT-UHFFFAOYSA-N 0 0 326.625 3.837 10 0 EHAERN C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Br)c(N)c1 ZINC000042828666 204150509 /nfs/dbraw/zinc/15/05/09/204150509.db2.gz FRQKPGKDKHIKNI-JQWIXIFHSA-N 0 0 325.250 3.587 10 0 EHAERN O=C(C1CCC(F)(F)CC1)N1CCC(c2ccccc2CO)CC1 ZINC000328587646 258046231 /nfs/dbraw/zinc/04/62/31/258046231.db2.gz DSBMLWWTEAXRKF-UHFFFAOYSA-N 0 0 337.410 3.710 10 0 EHAERN Cc1cc(-c2ccc3c(c2)CCN3C(=O)COc2cccc(C)c2)on1 ZINC000065247375 258062162 /nfs/dbraw/zinc/06/21/62/258062162.db2.gz DEPOYANVEXJZAV-UHFFFAOYSA-N 0 0 348.402 3.927 10 0 EHAERN COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 ZINC000238393864 536769824 /nfs/dbraw/zinc/76/98/24/536769824.db2.gz UVRJGRWQUNMKBL-UHFFFAOYSA-N 0 0 330.178 3.583 10 0 EHAERN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(O)c1 ZINC000005898853 563553581 /nfs/dbraw/zinc/55/35/81/563553581.db2.gz BYVAWYSISFYBGA-RMKNXTFCSA-N 0 0 332.812 3.572 10 0 EHAERN COC(=O)c1cc2c(F)c(Br)c(F)cc2nc1Cl ZINC000675051535 564111794 /nfs/dbraw/zinc/11/17/94/564111794.db2.gz NDYPGUZFDKNFDA-UHFFFAOYSA-N 0 0 336.519 3.716 10 0 EHAERN c1nn(Cc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)c2ccccc12 ZINC000299743751 564150553 /nfs/dbraw/zinc/15/05/53/564150553.db2.gz MAJHDIZCUFVHSW-QFBILLFUSA-N 0 0 346.390 3.713 10 0 EHAERN Cc1ccc2[nH]c(CNCc3c[nH]nc3-c3cccs3)nc2c1C ZINC000067785515 564166645 /nfs/dbraw/zinc/16/66/45/564166645.db2.gz IYVYZHKRBFBLBF-UHFFFAOYSA-N 0 0 337.452 3.921 10 0 EHAERN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(C)C ZINC000009530371 564174062 /nfs/dbraw/zinc/17/40/62/564174062.db2.gz XVYPZSTUAABRGB-UHFFFAOYSA-N 0 0 326.487 3.741 10 0 EHAERN Cc1cc(C)c(C(=O)N2CCO[C@](C)(c3ccccc3)C2)c(Cl)n1 ZINC000182155705 1032071425 /nfs/dbraw/zinc/07/14/25/1032071425.db2.gz MHRYUBFEZVXITI-IBGZPJMESA-N 0 0 344.842 3.740 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC000710607054 977515161 /nfs/dbraw/zinc/51/51/61/977515161.db2.gz IZVXQPNSMXKFSR-VHRBIJSZSA-N 0 0 338.245 3.673 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H](C)C2CCOCC2)o1 ZINC000246202192 1015825357 /nfs/dbraw/zinc/82/53/57/1015825357.db2.gz DADGXBIXMQRWEP-LXZKKBNFSA-N 0 0 334.460 3.886 10 0 EHAERN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)CNc2ccc(OC)cc2)C1 ZINC000000578669 1016022888 /nfs/dbraw/zinc/02/28/88/1016022888.db2.gz BXQBYUSXWKCGDR-HNNXBMFYSA-N 0 0 327.428 3.512 10 0 EHAERN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180492348 1016899664 /nfs/dbraw/zinc/89/96/64/1016899664.db2.gz BKXMPPFWXMGJFJ-HOCLYGCPSA-N 0 0 345.487 3.628 10 0 EHAERN CC(C)c1ccc(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1F ZINC000184471529 1032303784 /nfs/dbraw/zinc/30/37/84/1032303784.db2.gz ZJZVYZYHFCTISR-LBPRGKRZSA-N 0 0 345.422 3.760 10 0 EHAERN CC[C@@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1cccs1 ZINC000184578137 1032299481 /nfs/dbraw/zinc/29/94/81/1032299481.db2.gz NCJVEYUACYSDNR-MRXNPFEDSA-N 0 0 344.480 3.892 10 0 EHAERN C[C@@H](c1cnccn1)[S@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000185174262 1032357325 /nfs/dbraw/zinc/35/73/25/1032357325.db2.gz BDCQJZJBNGHJEG-BSNNYGBQSA-N 0 0 347.827 3.795 10 0 EHAERN C[C@H](c1cnccn1)[S@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000185174282 1032357393 /nfs/dbraw/zinc/35/73/93/1032357393.db2.gz BDCQJZJBNGHJEG-QVQLBTGDSA-N 0 0 347.827 3.795 10 0 EHAERN O=C(/C=C/c1ccccc1Cl)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000081651409 1032618273 /nfs/dbraw/zinc/61/82/73/1032618273.db2.gz USAPGSPMPXJJKF-OZSKJFCKSA-N 0 0 349.858 3.540 10 0 EHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000269196828 1017811157 /nfs/dbraw/zinc/81/11/57/1017811157.db2.gz GSLYXDGCMDMPPJ-NVXWUHKLSA-N 0 0 344.455 3.691 10 0 EHAERN Cc1cc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)n(-c2ccccn2)n1 ZINC000246396073 1018231041 /nfs/dbraw/zinc/23/10/41/1018231041.db2.gz CWKCYMLRDYLGHV-OWCLPIDISA-N 0 0 339.443 3.761 10 0 EHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1F ZINC000114565130 1018610609 /nfs/dbraw/zinc/61/06/09/1018610609.db2.gz TWYASFFGGQEHON-HNNXBMFYSA-N 0 0 334.370 3.684 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1cccc(C2CC2)c1 ZINC000333490729 1019750606 /nfs/dbraw/zinc/75/06/06/1019750606.db2.gz IUYKIHZYXBPBPD-DLVCFXQMSA-N 0 0 342.483 3.962 10 0 EHAERN CC/C(=C/C(=O)NCc1ccc(Cl)cn1)c1ccc(OC)cc1 ZINC000588384879 1019801916 /nfs/dbraw/zinc/80/19/16/1019801916.db2.gz QEBJYDIQBQXOIF-RAXLEYEMSA-N 0 0 330.815 3.853 10 0 EHAERN CCC(CC)(NC(=O)/C=C\c1ccncn1)c1ccc(Cl)cc1 ZINC000588393812 1020242178 /nfs/dbraw/zinc/24/21/78/1020242178.db2.gz QNHMHWFOEDZNSN-KTKRTIGZSA-N 0 0 329.831 3.975 10 0 EHAERN CN(C(=O)/C=C\c1ccncn1)c1ccc(Oc2ccccc2)cc1 ZINC000588393957 1020243834 /nfs/dbraw/zinc/24/38/34/1020243834.db2.gz OMFJWURWIAYDDN-GHXNOFRVSA-N 0 0 331.375 3.945 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c2ccccc21 ZINC000246528557 1021214301 /nfs/dbraw/zinc/21/43/01/1021214301.db2.gz CLBKFYKBDFOVJI-HBRVENNYSA-N 0 0 328.456 3.882 10 0 EHAERN COc1ccccc1C1=N/C(=C/c2cccc3cnccc23)C(=O)O1 ZINC000588423384 1021429315 /nfs/dbraw/zinc/42/93/15/1021429315.db2.gz HSOLFSGPKNDPHD-GZTJUZNOSA-N 0 0 330.343 3.588 10 0 EHAERN CN(c1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO)C1CCCC1 ZINC000121152756 1021482404 /nfs/dbraw/zinc/48/24/04/1021482404.db2.gz PCQXTKGGFXYOJA-NVXWUHKLSA-N 0 0 345.487 3.738 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1F ZINC000247941473 1021630644 /nfs/dbraw/zinc/63/06/44/1021630644.db2.gz DBADSGLCGHSQJG-QOKNQOGYSA-N 0 0 334.435 3.532 10 0 EHAERN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127932305 1022405848 /nfs/dbraw/zinc/40/58/48/1022405848.db2.gz BJBUJCBRFVBWRR-MLGOLLRUSA-N 0 0 345.336 3.612 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)CCc2ccccc2F)[nH]1 ZINC000328750477 1022481024 /nfs/dbraw/zinc/48/10/24/1022481024.db2.gz RFRIDUKGCCHOCJ-DYVFJYSZSA-N 0 0 344.434 3.575 10 0 EHAERN Cc1nnc([C@@H](C)SCc2cc(Cl)cc3c2OCOC3)o1 ZINC000124702311 1022569699 /nfs/dbraw/zinc/56/96/99/1022569699.db2.gz TYSGIORWIUUQIP-MRVPVSSYSA-N 0 0 326.805 3.892 10 0 EHAERN C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC000056420162 1023245333 /nfs/dbraw/zinc/24/53/33/1023245333.db2.gz SFGCLPQULURONG-CQSZACIVSA-N 0 0 347.503 3.601 10 0 EHAERN C[C@@H](NC(=O)N(C)CC1CC(O)C1)c1c(Cl)ccc(F)c1Cl ZINC000190366326 1023289545 /nfs/dbraw/zinc/28/95/45/1023289545.db2.gz NKWXFPIBXOJYFT-XNWIYYODSA-N 0 0 349.233 3.606 10 0 EHAERN CC[C@]1(C)C[C@H]1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000150798339 1023935892 /nfs/dbraw/zinc/93/58/92/1023935892.db2.gz GANDJBKUEQVSCE-HZUJVAHNSA-N 0 0 340.467 3.566 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000180845323 1023964173 /nfs/dbraw/zinc/96/41/73/1023964173.db2.gz DZJCFBUKEUNHOU-KBXCAEBGSA-N 0 0 340.471 3.836 10 0 EHAERN Cc1ccc(C2(c3noc([C@@H]4CC[C@@H](C)O4)n3)CCOCC2)cc1 ZINC000329679384 1024041580 /nfs/dbraw/zinc/04/15/80/1024041580.db2.gz QUTXERFDUWXMMT-ZBFHGGJFSA-N 0 0 328.412 3.715 10 0 EHAERN CCc1nnc(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)s1 ZINC000151452395 1024109924 /nfs/dbraw/zinc/10/99/24/1024109924.db2.gz GCSFHSVTTDNKRB-DGCLKSJQSA-N 0 0 346.456 3.519 10 0 EHAERN C[C@H]1CCC[C@H]1c1nc(-c2cccc(CN3CCCC3=O)c2)no1 ZINC000329723433 1024146794 /nfs/dbraw/zinc/14/67/94/1024146794.db2.gz NRTKGRNZFNSCMK-XJKSGUPXSA-N 0 0 325.412 3.763 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1csc(-c2ccsc2)n1 ZINC000151571156 1024167336 /nfs/dbraw/zinc/16/73/36/1024167336.db2.gz WSCJBEBIXAHINR-BNOWGMLFSA-N 0 0 346.477 3.559 10 0 EHAERN CC1CCN(C(=O)c2ccc(NC(=O)N3C[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000329922183 1024251411 /nfs/dbraw/zinc/25/14/11/1024251411.db2.gz HWLTWTZGKZGLRG-FUHWJXTLSA-N 0 0 341.455 3.575 10 0 EHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000329936792 1024257246 /nfs/dbraw/zinc/25/72/46/1024257246.db2.gz RTRHNMJPJVEMSB-BBRMVZONSA-N 0 0 340.452 3.952 10 0 EHAERN O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000280924079 1024440276 /nfs/dbraw/zinc/44/02/76/1024440276.db2.gz BGQDTAMEUDROKO-LASHMREHSA-N 0 0 342.483 3.658 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc4cccnc43)CCO2)o1 ZINC000165819115 1024492290 /nfs/dbraw/zinc/49/22/90/1024492290.db2.gz VCURDCKIGTUJLI-QGZVFWFLSA-N 0 0 337.379 3.742 10 0 EHAERN C[C@@H]1OCCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)[C@H]1C ZINC000248215287 1024703173 /nfs/dbraw/zinc/70/31/73/1024703173.db2.gz ZNTUNJMHZFTSTF-ZOBUZTSGSA-N 0 0 344.455 3.642 10 0 EHAERN O=C(Nc1cccnc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113366845 1025150607 /nfs/dbraw/zinc/15/06/07/1025150607.db2.gz NSMMWODKXUIWMA-INIZCTEOSA-N 0 0 347.422 3.883 10 0 EHAERN CCCn1nccc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000102988512 1025564630 /nfs/dbraw/zinc/56/46/30/1025564630.db2.gz ZINWOIXMHHDCEC-CYBMUJFWSA-N 0 0 325.334 3.968 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000588508700 1025641478 /nfs/dbraw/zinc/64/14/78/1025641478.db2.gz MHGIIPMZLJRWBF-JBXOJTMHSA-N 0 0 329.440 3.571 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1csc(-c2ccsc2)n1 ZINC000121765922 1025762949 /nfs/dbraw/zinc/76/29/49/1025762949.db2.gz GURBNDYYZCMGDK-TZMCWYRMSA-N 0 0 334.466 3.559 10 0 EHAERN Cc1cc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1F ZINC000103242453 1026062001 /nfs/dbraw/zinc/06/20/01/1026062001.db2.gz PFJSYMSSFASDOU-AWEZNQCLSA-N 0 0 349.450 3.539 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Cc3noc4ccccc34)c21 ZINC000103129462 1026064496 /nfs/dbraw/zinc/06/44/96/1026064496.db2.gz VKMKRMVTYHANID-UHFFFAOYSA-N 0 0 333.391 3.519 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccc(F)cc3)c21 ZINC000103317270 1026075698 /nfs/dbraw/zinc/07/56/98/1026075698.db2.gz PJTNCUYBLDGTFE-UHFFFAOYSA-N 0 0 339.414 4.000 10 0 EHAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000248389258 1026291417 /nfs/dbraw/zinc/29/14/17/1026291417.db2.gz SBDXGDYIHWKDPC-JLSDUUJJSA-N 0 0 349.496 3.519 10 0 EHAERN CN(CC1(O)CCCCCC1)C(=O)/C=C\c1ccnc2ccccc12 ZINC000588531054 1026708034 /nfs/dbraw/zinc/70/80/34/1026708034.db2.gz ITJYYUFHLQQETB-KHPPLWFESA-N 0 0 338.451 3.792 10 0 EHAERN O=C(Cc1ccc(O)cc1Cl)N1CCC(Oc2ccccc2)CC1 ZINC000122738773 1026711774 /nfs/dbraw/zinc/71/17/74/1026711774.db2.gz XZSXDGKLHOQUOZ-UHFFFAOYSA-N 0 0 345.826 3.658 10 0 EHAERN CSc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000152910799 1026838199 /nfs/dbraw/zinc/83/81/99/1026838199.db2.gz YDNVSEPKEKMCGZ-INIZCTEOSA-N 0 0 332.425 3.915 10 0 EHAERN Brc1ccc(NCc2nnc(-c3ccccc3)s2)nc1 ZINC000301629233 1026881484 /nfs/dbraw/zinc/88/14/84/1026881484.db2.gz IHLRXGMSKSYYSV-UHFFFAOYSA-N 0 0 347.241 3.975 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2Nc1cc(Cl)nc(C2CC2)n1 ZINC000301968385 1027010887 /nfs/dbraw/zinc/01/08/87/1027010887.db2.gz PKIOLRBFOSWYGU-NSHDSACASA-N 0 0 332.839 3.669 10 0 EHAERN Cc1c([C@@H]2CCCN2c2ccc(Br)c(C)n2)cnn1C ZINC000302152754 1027072796 /nfs/dbraw/zinc/07/27/96/1027072796.db2.gz MGQHZRGBVGJZSH-AWEZNQCLSA-N 0 0 335.249 3.536 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cnc(C(C)(C)C)s3)CCO2)o1 ZINC000127083103 1027271097 /nfs/dbraw/zinc/27/10/97/1027271097.db2.gz SDXMGHUBGRLHDB-CYBMUJFWSA-N 0 0 334.441 3.556 10 0 EHAERN CCn1c2ccc(F)cc2nc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000127756556 1027350298 /nfs/dbraw/zinc/35/02/98/1027350298.db2.gz AFPILTHFVMLILL-MAUKXSAKSA-N 0 0 341.434 3.665 10 0 EHAERN CC(C)OC(=O)[C@@H](C)N(C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000130049503 1027626359 /nfs/dbraw/zinc/62/63/59/1027626359.db2.gz PVPSPGRTNWLADI-GFCCVEGCSA-N 0 0 336.819 3.767 10 0 EHAERN C[C@@H](CNC(=O)N1CC=C(c2ccccc2F)CC1)c1nccs1 ZINC000130680968 1027692246 /nfs/dbraw/zinc/69/22/46/1027692246.db2.gz PTKSKUMUBCQWLW-ZDUSSCGKSA-N 0 0 345.443 3.885 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1C(F)(F)F ZINC000246146790 1027818532 /nfs/dbraw/zinc/81/85/32/1027818532.db2.gz PXXBMBQUHCRATL-IACUBPJLSA-N 0 0 343.320 3.532 10 0 EHAERN Cc1cccnc1/C=C\C(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000588552210 1027883352 /nfs/dbraw/zinc/88/33/52/1027883352.db2.gz QUOLVYPGXDWWGE-BMSUMIBZSA-N 0 0 335.363 3.758 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000132157960 1027888162 /nfs/dbraw/zinc/88/81/62/1027888162.db2.gz XAZCEAOBZFHTAB-AWEZNQCLSA-N 0 0 330.819 3.762 10 0 EHAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)c3cc(C)oc3C)C2)c1 ZINC000111843648 1027936158 /nfs/dbraw/zinc/93/61/58/1027936158.db2.gz WADDNZOKSAFYIL-GOEBONIOSA-N 0 0 330.432 3.509 10 0 EHAERN O=C1CCCc2cc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)ccc2N1 ZINC000246196147 1027951734 /nfs/dbraw/zinc/95/17/34/1027951734.db2.gz UIEWQJYEHBRAKZ-KFKAGJAMSA-N 0 0 326.440 3.721 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)CC3(C)CCCCC3)CC2)n1 ZINC000133017959 1027990714 /nfs/dbraw/zinc/99/07/14/1027990714.db2.gz JSNGDOIWPAVIMZ-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN Cc1cc2c(cc1NC(=O)N1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C1)OCO2 ZINC000333578459 1027991275 /nfs/dbraw/zinc/99/12/75/1027991275.db2.gz ZICUJYCRAQHBCT-QJNYJZHLSA-N 0 0 328.412 3.624 10 0 EHAERN Cc1noc(-c2ccccc2C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)n1 ZINC000246244630 1028061005 /nfs/dbraw/zinc/06/10/05/1028061005.db2.gz DPGKATJZNCQMMF-IPMKNSEASA-N 0 0 345.402 3.503 10 0 EHAERN CC(C)Sc1ccccc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000135391821 1028187555 /nfs/dbraw/zinc/18/75/55/1028187555.db2.gz GIXNATGXRBTJFJ-UHFFFAOYSA-N 0 0 345.472 3.648 10 0 EHAERN CC(C)COC1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)CC1 ZINC000246307024 1028198087 /nfs/dbraw/zinc/19/80/87/1028198087.db2.gz JNTRRXAJVXQTNJ-XUVXKRRUSA-N 0 0 342.483 3.561 10 0 EHAERN CCCCCC(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000055525624 1028277763 /nfs/dbraw/zinc/27/77/63/1028277763.db2.gz BVTVTBWSEQHYKM-UHFFFAOYSA-N 0 0 336.863 3.595 10 0 EHAERN CC(C)Oc1ccccc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137084730 1028287009 /nfs/dbraw/zinc/28/70/09/1028287009.db2.gz BZAGXXHAGVNSLD-MRXNPFEDSA-N 0 0 341.411 3.554 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Oc1ccc(-c2ncn(C)n2)cc1 ZINC000588558249 1028296969 /nfs/dbraw/zinc/29/69/69/1028296969.db2.gz IHBWXUJSYGBALR-QBFSEMIESA-N 0 0 337.354 3.630 10 0 EHAERN CSc1ccccc1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000056044879 1028307281 /nfs/dbraw/zinc/30/72/81/1028307281.db2.gz HOTBHDRBCFOPGG-AWEZNQCLSA-N 0 0 326.465 3.762 10 0 EHAERN CC(C)(C(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1F ZINC000067046836 1028351906 /nfs/dbraw/zinc/35/19/06/1028351906.db2.gz URRWQTTZNUBBKC-ZDUSSCGKSA-N 0 0 332.444 3.966 10 0 EHAERN C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048082 1028353883 /nfs/dbraw/zinc/35/38/83/1028353883.db2.gz UVGNTLLKDXAWHN-HIFRSBDPSA-N 0 0 332.444 3.867 10 0 EHAERN O=C(c1cnc(-c2ccco2)s1)N1CCC[C@H](c2nccs2)C1 ZINC000067048001 1028354141 /nfs/dbraw/zinc/35/41/41/1028354141.db2.gz XRJAQONDCSOPNM-NSHDSACASA-N 0 0 345.449 3.879 10 0 EHAERN O=C(/C=C/c1ccc(-n2ccnc2)cc1)N[C@H]1CCOc2ccccc21 ZINC000060672376 1028416839 /nfs/dbraw/zinc/41/68/39/1028416839.db2.gz WZKPSECWWSHKEL-VQFGERMISA-N 0 0 345.402 3.526 10 0 EHAERN C[C@@H]1CCC[C@H](OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000070674235 1028458765 /nfs/dbraw/zinc/45/87/65/1028458765.db2.gz XKPBDRYNOVOJHX-KDOFPFPSSA-N 0 0 347.430 3.800 10 0 EHAERN O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2ccccc2)CC1 ZINC000193943608 1028481207 /nfs/dbraw/zinc/48/12/07/1028481207.db2.gz FKVUEUHHBIQUQO-UHFFFAOYSA-N 0 0 331.375 3.666 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@@H]2CCCCC2(C)C)c2ccccc2)[nH]1 ZINC000194011347 1028484401 /nfs/dbraw/zinc/48/44/01/1028484401.db2.gz LDHJAVHTOLKCSP-HOTGVXAUSA-N 0 0 326.444 3.535 10 0 EHAERN Cc1ccc(Cn2nccc2NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000194266663 1028503313 /nfs/dbraw/zinc/50/33/13/1028503313.db2.gz FPAUDUIIMKQAAD-GOSISDBHSA-N 0 0 346.434 3.693 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cnc(-c4ccco4)s3)CCO2)o1 ZINC000194427948 1028516703 /nfs/dbraw/zinc/51/67/03/1028516703.db2.gz RRYNKGOUPPWFNS-MRXNPFEDSA-N 0 0 330.409 3.878 10 0 EHAERN Cc1ccc(-c2cncc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c2)cc1 ZINC000246458214 1028554085 /nfs/dbraw/zinc/55/40/85/1028554085.db2.gz FRSNJVWIFLEXQQ-IPMKNSEASA-N 0 0 336.435 3.600 10 0 EHAERN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000195355148 1028599924 /nfs/dbraw/zinc/59/99/24/1028599924.db2.gz UQANBGAUTWSUJS-CYBMUJFWSA-N 0 0 349.887 3.923 10 0 EHAERN O=C(NC[C@@H]1CC=CCC1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000246602272 1028667477 /nfs/dbraw/zinc/66/74/77/1028667477.db2.gz VYENBLAXLOXZBC-OAGGEKHMSA-N 0 0 334.485 3.702 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246635271 1028670622 /nfs/dbraw/zinc/67/06/22/1028670622.db2.gz JGXIQBVRYYJWQL-OBKDMQGPSA-N 0 0 327.468 3.927 10 0 EHAERN C[C@H](C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1)c1cccnc1 ZINC000246648340 1028673465 /nfs/dbraw/zinc/67/34/65/1028673465.db2.gz KBYYUVZJUQYENZ-RYQLBKOJSA-N 0 0 342.439 3.673 10 0 EHAERN Cc1cccc(C(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)c1 ZINC000244032178 1028696398 /nfs/dbraw/zinc/69/63/98/1028696398.db2.gz STQWBHULJHGFJN-UHFFFAOYSA-N 0 0 336.435 3.510 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(C3SCCS3)cc2)[C@@H]2CCO[C@H]21 ZINC000247299638 1028774128 /nfs/dbraw/zinc/77/41/28/1028774128.db2.gz VBVMKVINVVVECM-RRFJBIMHSA-N 0 0 349.521 3.709 10 0 EHAERN Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247375627 1028785919 /nfs/dbraw/zinc/78/59/19/1028785919.db2.gz KVXCSXFGKPIQLX-ZMSDIMECSA-N 0 0 342.464 3.806 10 0 EHAERN c1[nH]c([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)nc1-c1ccccc1 ZINC000114200902 1028863417 /nfs/dbraw/zinc/86/34/17/1028863417.db2.gz XSLRUAWQROCFFC-MRXNPFEDSA-N 0 0 349.438 3.717 10 0 EHAERN CC(C)C[C@@H](C)S(=O)(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000114214954 1028874979 /nfs/dbraw/zinc/87/49/79/1028874979.db2.gz HMQGMKNQUIEHPH-CQSZACIVSA-N 0 0 349.500 3.507 10 0 EHAERN O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCCN(c2ccccn2)CC1 ZINC000248726118 1028941681 /nfs/dbraw/zinc/94/16/81/1028941681.db2.gz KPXMXKWUKOXVOD-GBESFXJTSA-N 0 0 341.499 3.727 10 0 EHAERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCCC[C@H]1CCCCO1 ZINC000248744562 1028944675 /nfs/dbraw/zinc/94/46/75/1028944675.db2.gz RVBKRDHMYFRLOK-BHIYHBOVSA-N 0 0 330.472 3.923 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000248955536 1028972611 /nfs/dbraw/zinc/97/26/11/1028972611.db2.gz CDPKHPWHNYRIRG-WKILWMFISA-N 0 0 348.512 3.639 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC1 ZINC000249408700 1029001246 /nfs/dbraw/zinc/00/12/46/1029001246.db2.gz XKOGUXAFRWPVNN-JCNLHEQBSA-N 0 0 338.455 3.504 10 0 EHAERN Cc1ccc2ncc(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)n2c1 ZINC000245703647 1029062242 /nfs/dbraw/zinc/06/22/42/1029062242.db2.gz DORMOFSFRWUMOT-WMLDXEAASA-N 0 0 327.453 3.666 10 0 EHAERN CC(=O)Nc1ccccc1CN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000245705989 1029073817 /nfs/dbraw/zinc/07/38/17/1029073817.db2.gz FAEGLXHIBLBJIR-XOBRGWDASA-N 0 0 342.414 3.746 10 0 EHAERN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000252039662 1029172368 /nfs/dbraw/zinc/17/23/68/1029172368.db2.gz ZGJOXLLEDAKOBN-YSVLISHTSA-N 0 0 349.862 3.629 10 0 EHAERN CCc1nc(CC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)cs1 ZINC000078188274 1029239326 /nfs/dbraw/zinc/23/93/26/1029239326.db2.gz IXDQNZNJEIMHKE-DZGCQCFKSA-N 0 0 344.480 3.661 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CSc3ccncc3)C2)cc1 ZINC000078188374 1029239984 /nfs/dbraw/zinc/23/99/84/1029239984.db2.gz ASRMGGRLABDHJB-ZBFHGGJFSA-N 0 0 342.464 3.587 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245772055 1029274555 /nfs/dbraw/zinc/27/45/55/1029274555.db2.gz GRHKEPOUKDQZHE-JCURWCKSSA-N 0 0 344.842 3.817 10 0 EHAERN CN(CCc1cccs1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155438874 1029538872 /nfs/dbraw/zinc/53/88/72/1029538872.db2.gz XUWCQPHGOFCTOG-UHFFFAOYSA-N 0 0 349.525 3.663 10 0 EHAERN CCc1noc(C)c1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000155548049 1029568791 /nfs/dbraw/zinc/56/87/91/1029568791.db2.gz SVCIFAKLJOJLLX-UHFFFAOYSA-N 0 0 346.406 3.793 10 0 EHAERN CCCCC[C@H](C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)C(C)C ZINC000246014467 1029571946 /nfs/dbraw/zinc/57/19/46/1029571946.db2.gz SJLMZXWBNGPROT-FGTMMUONSA-N 0 0 349.519 3.545 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000114809686 1029835857 /nfs/dbraw/zinc/83/58/57/1029835857.db2.gz RDNDWOYAMDVQII-LLVKDONJSA-N 0 0 335.404 3.702 10 0 EHAERN Cc1c(Cl)cccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156422119 1029841655 /nfs/dbraw/zinc/84/16/55/1029841655.db2.gz NUOXBRNCTPFYNR-UHFFFAOYSA-N 0 0 346.862 3.869 10 0 EHAERN C[C@@H](O)CN(C)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000091213009 1030242371 /nfs/dbraw/zinc/24/23/71/1030242371.db2.gz UQEGJHUHIXIPDG-IAQYHMDHSA-N 0 0 338.860 3.513 10 0 EHAERN C[C@H](c1ccccc1)N(CC(N)=O)Cc1cccc(-c2cccnc2)c1 ZINC000093734320 1030668394 /nfs/dbraw/zinc/66/83/94/1030668394.db2.gz SAFSFTFQIIEGNK-QGZVFWFLSA-N 0 0 345.446 3.797 10 0 EHAERN COc1ccccc1COC1CCN(C(=O)N[C@@H](C)CC2CC2)CC1 ZINC000094034647 1030709236 /nfs/dbraw/zinc/70/92/36/1030709236.db2.gz OUZMESBDXKYKOC-HNNXBMFYSA-N 0 0 346.471 3.574 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)CC2)n1 ZINC000171221144 1030747418 /nfs/dbraw/zinc/74/74/18/1030747418.db2.gz OKSMATRXWGURSM-UHFFFAOYSA-N 0 0 346.500 3.731 10 0 EHAERN COc1ccccc1CCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171614588 1030767647 /nfs/dbraw/zinc/76/76/47/1030767647.db2.gz CSZRIRJQBVPWOP-UHFFFAOYSA-N 0 0 338.451 3.504 10 0 EHAERN Cc1ccc(C)c(OCC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000171643976 1030768753 /nfs/dbraw/zinc/76/87/53/1030768753.db2.gz RFEOHKQCRXZCME-OAHLLOKOSA-N 0 0 330.453 3.545 10 0 EHAERN O=C(COc1ccc(Cl)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171646235 1030771986 /nfs/dbraw/zinc/77/19/86/1030771986.db2.gz ROAXOLMUTQKVMO-LBPRGKRZSA-N 0 0 336.844 3.582 10 0 EHAERN O=C(Nc1ccc(F)cc1F)N1CCC(Cc2ccccn2)CC1 ZINC000171807917 1030822071 /nfs/dbraw/zinc/82/20/71/1030822071.db2.gz PWWSHWFEHVNFIP-UHFFFAOYSA-N 0 0 331.366 3.846 10 0 EHAERN CC(C)c1ccc([C@H](C)CC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000157776714 1030835033 /nfs/dbraw/zinc/83/50/33/1030835033.db2.gz BWUXIALKPVSVPO-MRXNPFEDSA-N 0 0 340.471 3.759 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)CC2)nc1 ZINC000157807744 1030875846 /nfs/dbraw/zinc/87/58/46/1030875846.db2.gz DLCSEAHZYJEQPU-RTBURBONSA-N 0 0 341.499 3.691 10 0 EHAERN CCC(CC)c1cc(CNC(=O)[C@H]2Oc3ccccc3[C@H]2C)on1 ZINC000173641486 1031125137 /nfs/dbraw/zinc/12/51/37/1031125137.db2.gz QPNZEECXCPCQMF-XIKOKIGWSA-N 0 0 328.412 3.759 10 0 EHAERN CCC[C@@](C)(NCc1ncc(-c2ccccc2Cl)o1)C(=O)OC ZINC000173766888 1031139922 /nfs/dbraw/zinc/13/99/22/1031139922.db2.gz AMFTYABIUHMFJO-QGZVFWFLSA-N 0 0 336.819 3.816 10 0 EHAERN CCOc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174075807 1031164136 /nfs/dbraw/zinc/16/41/36/1031164136.db2.gz AOBTWGNFVFQRNH-UHFFFAOYSA-N 0 0 342.414 3.941 10 0 EHAERN CC(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174080431 1031164464 /nfs/dbraw/zinc/16/44/64/1031164464.db2.gz GKULJBKERXKTIE-UHFFFAOYSA-N 0 0 340.398 3.745 10 0 EHAERN CCc1nc(NC(=O)N2CCC[C@@H](c3nccs3)C2)sc1C ZINC000174344921 1031198717 /nfs/dbraw/zinc/19/87/17/1031198717.db2.gz QDQCDIWNNHSSRH-LLVKDONJSA-N 0 0 336.486 3.882 10 0 EHAERN Cc1nnc(-c2cccc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2)o1 ZINC000174384637 1031208660 /nfs/dbraw/zinc/20/86/60/1031208660.db2.gz QOXUWHMHDDLBPN-ZDUSSCGKSA-N 0 0 326.183 3.567 10 0 EHAERN CCC[C@@H]1CCc2nc(NC(=O)c3ncncc3Cl)sc2C1 ZINC000175184103 1031309368 /nfs/dbraw/zinc/30/93/68/1031309368.db2.gz YKNXDRNQNYAEGJ-SECBINFHSA-N 0 0 336.848 3.744 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000175277127 1031319648 /nfs/dbraw/zinc/31/96/48/1031319648.db2.gz NRLQIJLJOPGJKO-FUHWJXTLSA-N 0 0 344.503 3.579 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCCOc4ccccc43)nc21 ZINC000175999709 1031403552 /nfs/dbraw/zinc/40/35/52/1031403552.db2.gz KONPZDFOCMDDIN-MRXNPFEDSA-N 0 0 349.434 3.834 10 0 EHAERN CC1CCC(N(C)C(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000176626856 1031466409 /nfs/dbraw/zinc/46/64/09/1031466409.db2.gz UITOMJJWKLKGAT-UHFFFAOYSA-N 0 0 335.517 3.937 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1sc2ccccc2c1Cl ZINC000178300059 1031651245 /nfs/dbraw/zinc/65/12/45/1031651245.db2.gz WVEQGHOQISWAMH-BBRMVZONSA-N 0 0 343.835 3.943 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2sc(C)nc2C)c2ccccc2)[nH]1 ZINC000178546715 1031678933 /nfs/dbraw/zinc/67/89/33/1031678933.db2.gz TVINHKVJMDKCHM-XHDPSFHLSA-N 0 0 327.457 3.627 10 0 EHAERN Nc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000178796591 1031703784 /nfs/dbraw/zinc/70/37/84/1031703784.db2.gz HVZNXQPHALWIIV-KRWDZBQOSA-N 0 0 346.434 3.679 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)c1ccccn1 ZINC000179093966 1031733930 /nfs/dbraw/zinc/73/39/30/1031733930.db2.gz SVLKINPHSQAOQC-BBRMVZONSA-N 0 0 345.830 3.659 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000179393001 1031746400 /nfs/dbraw/zinc/74/64/00/1031746400.db2.gz FQQQWACGTMLJNB-QGZVFWFLSA-N 0 0 330.384 3.510 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3noc(C4CCCCC4)n3)CCO2)o1 ZINC000158990421 1031776725 /nfs/dbraw/zinc/77/67/25/1031776725.db2.gz DLWKDSVSHJBEPO-MRXNPFEDSA-N 0 0 331.416 3.592 10 0 EHAERN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117635216 1031784962 /nfs/dbraw/zinc/78/49/62/1031784962.db2.gz VIWNVZCORVANQZ-DYZYQPBXSA-N 0 0 344.798 3.802 10 0 EHAERN Cc1ccnc(-c2ccc(NC(=O)[C@@H]3Oc4ccccc4[C@@H]3C)cc2)n1 ZINC000117673251 1031792641 /nfs/dbraw/zinc/79/26/41/1031792641.db2.gz XPIWOVHZNNBUNH-IFXJQAMLSA-N 0 0 345.402 3.955 10 0 EHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@H]1CCO[C@@H]1C ZINC000179608279 1031792812 /nfs/dbraw/zinc/79/28/12/1031792812.db2.gz BFNXWYIIQUSNEL-ZBFHGGJFSA-N 0 0 326.444 3.569 10 0 EHAERN CC[C@]1(c2ccc(N[C@H](C)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000179608524 1031794197 /nfs/dbraw/zinc/79/41/97/1031794197.db2.gz APSASKTVPFZHCI-QVKFZJNVSA-N 0 0 336.435 3.944 10 0 EHAERN Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)cc1NC(=O)NC(C)(C)C ZINC000154431387 1031859551 /nfs/dbraw/zinc/85/95/51/1031859551.db2.gz DZQLWVJKGOAJGF-HZPDHXFCSA-N 0 0 343.471 3.787 10 0 EHAERN CC[C@@H](C(=O)Nc1cccc(-c2ncon2)c1)c1ccc(OC)cc1 ZINC000180193592 1031867665 /nfs/dbraw/zinc/86/76/65/1031867665.db2.gz CCUVCDVSEYOSTE-QGZVFWFLSA-N 0 0 337.379 3.878 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)c2cnc3c(c2)ncn3C)o1 ZINC000180569958 1031890337 /nfs/dbraw/zinc/89/03/37/1031890337.db2.gz ZBIMKOSEZXCNQW-INIZCTEOSA-N 0 0 338.411 3.627 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3csc(C(C)C)n3)CC2)nc1 ZINC000180865217 1031916548 /nfs/dbraw/zinc/91/65/48/1031916548.db2.gz REHGEDFLBREHIP-UHFFFAOYSA-N 0 0 345.468 3.654 10 0 EHAERN O=C(CN1CC=C(c2cccs2)CC1)Nc1cccnc1Cl ZINC000117894640 1031920156 /nfs/dbraw/zinc/92/01/56/1031920156.db2.gz YGZDBLCTHGYFND-UHFFFAOYSA-N 0 0 333.844 3.524 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3nc4ccccc4n3C(F)F)CCO2)o1 ZINC000159205648 1031939733 /nfs/dbraw/zinc/93/97/33/1031939733.db2.gz ACTHPTBRDJMBBF-INIZCTEOSA-N 0 0 347.365 3.906 10 0 EHAERN COc1cccc(CNC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117954774 1031984346 /nfs/dbraw/zinc/98/43/46/1031984346.db2.gz HCXNQZCTONYLQO-UHFFFAOYSA-N 0 0 328.437 3.756 10 0 EHAERN CCn1cc(C2CCN(C(=O)NC3C[C@@H](C)C[C@H](C)C3)CC2)cn1 ZINC000172514329 1033298482 /nfs/dbraw/zinc/29/84/82/1033298482.db2.gz AFBYJULNKAKBPB-GJZGRUSLSA-N 0 0 332.492 3.617 10 0 EHAERN O=C(CCCOc1ccccc1F)Nc1cccc(-c2ncon2)c1 ZINC000101525056 1033738337 /nfs/dbraw/zinc/73/83/37/1033738337.db2.gz QDLIQEZNPZPZOQ-UHFFFAOYSA-N 0 0 341.342 3.673 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)c2cc(F)cc3nc[nH]c32)cc1C ZINC000101529675 1033745485 /nfs/dbraw/zinc/74/54/85/1033745485.db2.gz JBPIZOBBIOEBBF-UHFFFAOYSA-N 0 0 341.386 3.600 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2csc(C3CC3)n2)no1 ZINC000173593806 1034574536 /nfs/dbraw/zinc/57/45/36/1034574536.db2.gz FHELFMXDKRNIKT-LBPRGKRZSA-N 0 0 332.429 3.504 10 0 EHAERN Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)cc2c1 ZINC000282198058 1035486336 /nfs/dbraw/zinc/48/63/36/1035486336.db2.gz SPXOQMQMGZEBOA-GVDBMIGSSA-N 0 0 327.424 3.897 10 0 EHAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc2c(c1)OCCO2 ZINC000186055984 1035574201 /nfs/dbraw/zinc/57/42/01/1035574201.db2.gz XOQPIBLIBCCOIJ-HNNXBMFYSA-N 0 0 347.418 3.766 10 0 EHAERN CCC[C@H]1CCCCN1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000186427914 1035633916 /nfs/dbraw/zinc/63/39/16/1035633916.db2.gz UDDGLKGPDWAHQR-LSDHHAIUSA-N 0 0 333.480 3.601 10 0 EHAERN Cc1oc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cc2c1C ZINC000186445435 1035634867 /nfs/dbraw/zinc/63/48/67/1035634867.db2.gz BUALNRORLRBRNI-UHFFFAOYSA-N 0 0 339.399 3.510 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc2c(c1)OCO2 ZINC000186553178 1035657950 /nfs/dbraw/zinc/65/79/50/1035657950.db2.gz PRJUWPMQZKSZKY-NSHDSACASA-N 0 0 325.368 3.566 10 0 EHAERN C[C@@H]1[C@H](C)OCCN1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157451019 1035719555 /nfs/dbraw/zinc/71/95/55/1035719555.db2.gz ZNTUNJMHZFTSTF-HLLBOEOZSA-N 0 0 344.455 3.642 10 0 EHAERN Cc1ccc([C@@H]2COCCN2CCC(=O)c2ccc(F)cc2F)o1 ZINC000187051085 1035745227 /nfs/dbraw/zinc/74/52/27/1035745227.db2.gz DUIIDYVYROEKBH-INIZCTEOSA-N 0 0 335.350 3.513 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)C1CCCCC1 ZINC000187261297 1035799512 /nfs/dbraw/zinc/79/95/12/1035799512.db2.gz PHDHISLLPVFFIM-CYBMUJFWSA-N 0 0 336.505 3.698 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)c(F)c1 ZINC000188354889 1035914884 /nfs/dbraw/zinc/91/48/84/1035914884.db2.gz KGIXFYKIUXKKCA-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN Cc1cccc2nc(C3CCN(C(=O)c4ccc(C=O)cc4)CC3)oc21 ZINC000188479635 1035942141 /nfs/dbraw/zinc/94/21/41/1035942141.db2.gz CYRKLONHISYULQ-UHFFFAOYSA-N 0 0 348.402 3.969 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccccc2N(C)C)cs1 ZINC000188502041 1035944255 /nfs/dbraw/zinc/94/42/55/1035944255.db2.gz IBWGWMXDPDJBQJ-INIZCTEOSA-N 0 0 330.457 3.887 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000188556911 1035947767 /nfs/dbraw/zinc/94/77/67/1035947767.db2.gz BRIFGWYXKGJJIE-KRWDZBQOSA-N 0 0 346.377 3.938 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1c(Cl)ccc(Cl)c1Cl ZINC000188698461 1035972218 /nfs/dbraw/zinc/97/22/18/1035972218.db2.gz YIWYKCMOBQZIJD-AVPPRXQKSA-N 0 0 334.630 3.944 10 0 EHAERN O=C(Nc1ccc2[nH]ccc2c1)N1CCC(Nc2nccs2)CC1 ZINC000188810246 1035978595 /nfs/dbraw/zinc/97/85/95/1035978595.db2.gz VNPOYPVJUTUABO-UHFFFAOYSA-N 0 0 341.440 3.733 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000189066153 1036010591 /nfs/dbraw/zinc/01/05/91/1036010591.db2.gz SMCKUZMCKJUNPP-DMRZNYOFSA-N 0 0 349.475 3.519 10 0 EHAERN CCCC1(CNC(=O)N2CC3(CCOCC3)c3ccccc32)CC1 ZINC000189566330 1036085856 /nfs/dbraw/zinc/08/58/56/1036085856.db2.gz GDOPJZJNFZBFFD-UHFFFAOYSA-N 0 0 328.456 3.845 10 0 EHAERN COCCC1(CNC(=O)N[C@H]2CCCc3c(O)cccc32)CCCC1 ZINC000189570370 1036090546 /nfs/dbraw/zinc/09/05/46/1036090546.db2.gz XKKAZTNOXOEWNA-KRWDZBQOSA-N 0 0 346.471 3.666 10 0 EHAERN O=C(/C=C/c1cccnc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189639581 1036102108 /nfs/dbraw/zinc/10/21/08/1036102108.db2.gz UDZMSSMDTPSKRU-PXTSUWAFSA-N 0 0 328.362 3.779 10 0 EHAERN Cc1ccc(-c2cncc(C(=O)NC[C@@H]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000332764482 1036103439 /nfs/dbraw/zinc/10/34/39/1036103439.db2.gz HTLDSGVNFYLWAH-BJWYYQGGSA-N 0 0 338.451 3.990 10 0 EHAERN CCCN(C(=O)Nc1cn(C)nc1C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000189727086 1036134185 /nfs/dbraw/zinc/13/41/85/1036134185.db2.gz VNVVGNUCSCUFQD-SJORKVTESA-N 0 0 348.491 3.710 10 0 EHAERN CC(=O)c1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189806142 1036146927 /nfs/dbraw/zinc/14/69/27/1036146927.db2.gz FDYLSHPHFBMOOA-UHFFFAOYSA-N 0 0 335.403 3.598 10 0 EHAERN C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190263972 1036213044 /nfs/dbraw/zinc/21/30/44/1036213044.db2.gz ABQMGQQKGICAKA-KBPBESRZSA-N 0 0 346.377 3.533 10 0 EHAERN Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190286025 1036219233 /nfs/dbraw/zinc/21/92/33/1036219233.db2.gz SAOGVHARMQWRKS-AWEZNQCLSA-N 0 0 348.393 3.908 10 0 EHAERN Cc1ccc(/C=C/CC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190379874 1036231758 /nfs/dbraw/zinc/23/17/58/1036231758.db2.gz SDEGABGNOUBKFL-NSCUHMNNSA-N 0 0 341.480 3.958 10 0 EHAERN CS[C@@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190421981 1036237070 /nfs/dbraw/zinc/23/70/70/1036237070.db2.gz OSNHUHBMTMDMGU-OAHLLOKOSA-N 0 0 347.509 3.650 10 0 EHAERN CC(C)(C(=O)N1CCC(Nc2nccs2)CC1)c1cccs1 ZINC000190422438 1036238159 /nfs/dbraw/zinc/23/81/59/1036238159.db2.gz SSBDVKDLIHGBBI-UHFFFAOYSA-N 0 0 335.498 3.585 10 0 EHAERN O=C([C@@H](c1ccccc1)C1CC1)N1CCC(Nc2nccs2)CC1 ZINC000190437173 1036241709 /nfs/dbraw/zinc/24/17/09/1036241709.db2.gz FVOMLRYIDLUQQD-KRWDZBQOSA-N 0 0 341.480 3.740 10 0 EHAERN O=C(CCC1CCCC1)NCC(=O)N(Cc1ccco1)C1CCCC1 ZINC000102337830 1036268690 /nfs/dbraw/zinc/26/86/90/1036268690.db2.gz SISCZOCLVLNYBW-UHFFFAOYSA-N 0 0 346.471 3.637 10 0 EHAERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCC2(CCCC2)C1 ZINC000190960507 1036309914 /nfs/dbraw/zinc/30/99/14/1036309914.db2.gz LJTDEQUBZQLYRK-ROUUACIJSA-N 0 0 328.456 3.740 10 0 EHAERN CC(C)Cn1cc(CN2CC3(CCOCC3)c3ccccc32)cn1 ZINC000191615700 1036398940 /nfs/dbraw/zinc/39/89/40/1036398940.db2.gz DUDNQECRSJHYLL-UHFFFAOYSA-N 0 0 325.456 3.608 10 0 EHAERN CC[C@H](C)Sc1ccc(NC(=O)N2CCCN(C)C(=O)C2)c(C)c1 ZINC000191909904 1036442734 /nfs/dbraw/zinc/44/27/34/1036442734.db2.gz FWXXNXGORAYWJK-AWEZNQCLSA-N 0 0 349.500 3.582 10 0 EHAERN CC(=O)Oc1ccc(CN2CC3(CCOCC3)c3ccccc32)cc1 ZINC000192280983 1036489970 /nfs/dbraw/zinc/48/99/70/1036489970.db2.gz OWPCKKAFARBEJS-UHFFFAOYSA-N 0 0 337.419 3.680 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000192296949 1036492417 /nfs/dbraw/zinc/49/24/17/1036492417.db2.gz XAWIXLVKKPUMIK-UHFFFAOYSA-N 0 0 338.451 3.818 10 0 EHAERN O=C(c1cncc(Cl)n1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000192360843 1036502788 /nfs/dbraw/zinc/50/27/88/1036502788.db2.gz PCZRBUAQCOVVST-UHFFFAOYSA-N 0 0 339.782 3.589 10 0 EHAERN COc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1F ZINC000192705256 1036538972 /nfs/dbraw/zinc/53/89/72/1036538972.db2.gz BHUBGCMWJMAXIZ-MRXNPFEDSA-N 0 0 347.777 3.750 10 0 EHAERN CCN(Cc1ccccc1)C(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000102707227 1036754916 /nfs/dbraw/zinc/75/49/16/1036754916.db2.gz GLSLKNXELLSUPR-UHFFFAOYSA-N 0 0 327.472 3.747 10 0 EHAERN O=S(=O)(Cc1ccccc1F)N(Cc1ccco1)C1CCCC1 ZINC000102776062 1036763892 /nfs/dbraw/zinc/76/38/92/1036763892.db2.gz DRRNYMNKLYDZFC-UHFFFAOYSA-N 0 0 337.416 3.693 10 0 EHAERN COc1ccccc1C(C)(C)NC(=O)c1coc(Br)c1 ZINC000103035739 1036807492 /nfs/dbraw/zinc/80/74/92/1036807492.db2.gz OOFGQLMNVFGBMK-UHFFFAOYSA-N 0 0 338.201 3.716 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cnn(-c2ccccc2)c1C ZINC000104458042 1037042944 /nfs/dbraw/zinc/04/29/44/1037042944.db2.gz GBJYATKJNXDSFG-UHFFFAOYSA-N 0 0 349.434 3.504 10 0 EHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248929073 1037044541 /nfs/dbraw/zinc/04/45/41/1037044541.db2.gz XOLOPVSXTSTLEY-HYVNUMGLSA-N 0 0 346.471 3.858 10 0 EHAERN COc1ccc(OCCSCc2nc(-c3ccoc3)no2)cc1 ZINC000105573593 1037213741 /nfs/dbraw/zinc/21/37/41/1037213741.db2.gz VNZKIOPXLMFNGE-UHFFFAOYSA-N 0 0 332.381 3.650 10 0 EHAERN COC(=O)CC[C@@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000105988357 1037291158 /nfs/dbraw/zinc/29/11/58/1037291158.db2.gz RJQDGNFYWMJAMX-GOSISDBHSA-N 0 0 348.402 3.659 10 0 EHAERN CCCOc1cccc(C(=O)N(C)CCc2ccccc2OC)c1 ZINC000104459719 1037294976 /nfs/dbraw/zinc/29/49/76/1037294976.db2.gz JBYRDMVLHKVWFE-UHFFFAOYSA-N 0 0 327.424 3.799 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)n1 ZINC000102646842 1037583968 /nfs/dbraw/zinc/58/39/68/1037583968.db2.gz JXPPPBDGPLZRLJ-UHFFFAOYSA-N 0 0 326.465 3.960 10 0 EHAERN Cn1ccnc1CC1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000108373288 1037646413 /nfs/dbraw/zinc/64/64/13/1037646413.db2.gz XVSNZCVIYAGXGZ-UHFFFAOYSA-N 0 0 342.468 3.591 10 0 EHAERN CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114805476 1037809156 /nfs/dbraw/zinc/80/91/56/1037809156.db2.gz MYWVYPNOJYBFFQ-CYBMUJFWSA-N 0 0 331.441 3.953 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116186419 1037836924 /nfs/dbraw/zinc/83/69/24/1037836924.db2.gz MVZMIYUHPGVEJQ-CHWSQXEVSA-N 0 0 341.317 3.757 10 0 EHAERN CN1CC[C@H](CNC(=O)N2CCC[C@@H]2c2ccco2)c2ccccc21 ZINC000116420705 1037839539 /nfs/dbraw/zinc/83/95/39/1037839539.db2.gz QTBBLHZILMYKEG-CRAIPNDOSA-N 0 0 339.439 3.750 10 0 EHAERN Cc1ccc([C@@H]2COCCN2Cc2cc(Cl)cc3c2OCOC3)o1 ZINC000116895025 1037846238 /nfs/dbraw/zinc/84/62/38/1037846238.db2.gz AQTBZYUOWVKQNH-INIZCTEOSA-N 0 0 349.814 3.681 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000117591220 1037854173 /nfs/dbraw/zinc/85/41/73/1037854173.db2.gz YUYABNYTHHFFGX-QRWLVFNGSA-N 0 0 348.402 3.768 10 0 EHAERN Cc1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)cnc1Cl ZINC000119377731 1037897282 /nfs/dbraw/zinc/89/72/82/1037897282.db2.gz BNNBCNBJPDTLDZ-NSHDSACASA-N 0 0 336.848 3.911 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccn3C(C)C)C2)c1 ZINC000123781244 1038074949 /nfs/dbraw/zinc/07/49/49/1038074949.db2.gz KTUBCORXDPOUOC-HNNXBMFYSA-N 0 0 342.439 3.716 10 0 EHAERN CC[C@@H]1CCCCN1C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124217530 1038155596 /nfs/dbraw/zinc/15/55/96/1038155596.db2.gz XNNCNGXZUYJEGW-CJNGLKHVSA-N 0 0 346.406 3.581 10 0 EHAERN CCc1oc(C(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)cc1C ZINC000124463002 1038191217 /nfs/dbraw/zinc/19/12/17/1038191217.db2.gz DWRKIGCNNHESQY-AWEZNQCLSA-N 0 0 343.423 3.797 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)c3c(F)cccc3F)CCO2)o1 ZINC000124721506 1038226696 /nfs/dbraw/zinc/22/66/96/1038226696.db2.gz KODTZQWXKMGTRJ-LRDDRELGSA-N 0 0 335.350 3.570 10 0 EHAERN O=Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC000125018394 1038267131 /nfs/dbraw/zinc/26/71/31/1038267131.db2.gz NJTQWWSBTQKTFO-GOSISDBHSA-N 0 0 339.366 3.516 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151654276 1038784111 /nfs/dbraw/zinc/78/41/11/1038784111.db2.gz BJCWUPKLQSDTID-YVEFUNNKSA-N 0 0 338.835 3.508 10 0 EHAERN O=C(NCc1cc(F)cc2c1OCOC2)N1CCC[C@H]1C1CCCC1 ZINC000170698011 1038786866 /nfs/dbraw/zinc/78/68/66/1038786866.db2.gz XNLRFASJBCMADI-KRWDZBQOSA-N 0 0 348.418 3.556 10 0 EHAERN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCC(C)(O)CC1)c1ccc(Cl)cc1 ZINC000245781106 1038886528 /nfs/dbraw/zinc/88/65/28/1038886528.db2.gz RMWYQKWPMRBMFT-KCXAZCMYSA-N 0 0 336.863 3.594 10 0 EHAERN CCCO[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)OCC)c2)CC1 ZINC000108503304 1039096893 /nfs/dbraw/zinc/09/68/93/1039096893.db2.gz VNFFJVCLBQIFCN-QGZVFWFLSA-N 0 0 348.443 3.676 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000170885846 1039245616 /nfs/dbraw/zinc/24/56/16/1039245616.db2.gz ZBQJALOQLUKXRG-CZUORRHYSA-N 0 0 338.411 3.774 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000245899783 1039293570 /nfs/dbraw/zinc/29/35/70/1039293570.db2.gz RVTBSIZYGAEYAE-IIYDPXPESA-N 0 0 347.434 3.712 10 0 EHAERN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151178168 1039766193 /nfs/dbraw/zinc/76/61/93/1039766193.db2.gz NGYMLUAYVXSRNT-IFXJQAMLSA-N 0 0 346.858 3.517 10 0 EHAERN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151214851 1039892481 /nfs/dbraw/zinc/89/24/81/1039892481.db2.gz ZMRSMZAVDRMPTA-MGPUTAFESA-N 0 0 343.398 3.853 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C(C)(C)O1 ZINC000245538536 1040086210 /nfs/dbraw/zinc/08/62/10/1040086210.db2.gz ZFGXDXUPTQADAO-UTUOFQBUSA-N 0 0 336.398 3.753 10 0 EHAERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@H]1CCOc2ccccc21 ZINC000246281366 1040180565 /nfs/dbraw/zinc/18/05/65/1040180565.db2.gz CJRWCLZKITXDOD-QILLFSRXSA-N 0 0 346.471 3.651 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000332926072 1040187572 /nfs/dbraw/zinc/18/75/72/1040187572.db2.gz KBZHWYZBAPECCY-IKVWTGGYSA-N 0 0 342.483 3.578 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000408443380 1040775029 /nfs/dbraw/zinc/77/50/29/1040775029.db2.gz PEVAKHJMIBIBCL-UHFFFAOYSA-N 0 0 329.444 3.857 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N[C@@H]1CCOC2(CCC2)C1 ZINC000332998600 1040821139 /nfs/dbraw/zinc/82/11/39/1040821139.db2.gz IIUZQZWPSGXGKD-BFHYXJOUSA-N 0 0 348.409 3.756 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)[C@@H]2CCCC[C@H]21 ZINC000253558833 1040926441 /nfs/dbraw/zinc/92/64/41/1040926441.db2.gz CEYSUTZSVYHPPF-SUZMYJTESA-N 0 0 343.349 3.848 10 0 EHAERN O=C1NC2(CCCCCC2)C(=O)N1[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333125220 1041331092 /nfs/dbraw/zinc/33/10/92/1041331092.db2.gz AFMOSJBAOWYUSN-UONOGXRCSA-N 0 0 348.468 3.613 10 0 EHAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330248215 1042341167 /nfs/dbraw/zinc/34/11/67/1042341167.db2.gz MCLOFFFKHIRKGQ-RHSMWYFYSA-N 0 0 338.411 3.984 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N(C)C2CCC(CO)CC2)c2ccccc21 ZINC000153116249 1042560857 /nfs/dbraw/zinc/56/08/57/1042560857.db2.gz FMBHFQKZRKSYLI-XTUQQUOLSA-N 0 0 330.472 3.818 10 0 EHAERN CCn1nc(C)c(C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)c1C ZINC000408230192 1042766069 /nfs/dbraw/zinc/76/60/69/1042766069.db2.gz DLNQMTWYUGTION-HNNXBMFYSA-N 0 0 346.500 3.613 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)c3cn(C)nc3C(C)C)C2)sc1C ZINC000408233037 1042812192 /nfs/dbraw/zinc/81/21/92/1042812192.db2.gz XVHHPSPEVKMIBS-AWEZNQCLSA-N 0 0 346.500 3.637 10 0 EHAERN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N1CC[C@H]2CCC[C@@H]21 ZINC000330294502 1042843603 /nfs/dbraw/zinc/84/36/03/1042843603.db2.gz FGSUVFXSANYWSC-DOMZBBRYSA-N 0 0 345.830 3.724 10 0 EHAERN C[C@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)c1cc2cccc(F)c2o1 ZINC000408297322 1042990807 /nfs/dbraw/zinc/99/08/07/1042990807.db2.gz HROXICVOUUGWDS-NEPJUHHUSA-N 0 0 334.391 3.842 10 0 EHAERN CC1(C)CN(C(=O)c2ncoc2[C@H]2CCCO2)CC[C@H]1C(F)(F)F ZINC000408342914 1043393387 /nfs/dbraw/zinc/39/33/87/1043393387.db2.gz LXZQRDOPRGUZGK-GHMZBOCLSA-N 0 0 346.349 3.577 10 0 EHAERN Cc1cccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1C ZINC000247536335 1043780048 /nfs/dbraw/zinc/78/00/48/1043780048.db2.gz PRDSTFWXRHRJHD-FCEWJHQRSA-N 0 0 348.512 3.718 10 0 EHAERN CC[C@@H](C)Oc1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000105017268 1127905966 /nfs/dbraw/zinc/90/59/66/1127905966.db2.gz KZVHPADNBLRSDA-QAPCUYQASA-N 0 0 342.439 3.589 10 0 EHAERN CC(C)(C)COC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000102144853 1135464840 /nfs/dbraw/zinc/46/48/40/1135464840.db2.gz STUQVMRXYOHNDB-MDZDMXLPSA-N 0 0 329.440 3.528 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000104461259 1135816550 /nfs/dbraw/zinc/81/65/50/1135816550.db2.gz YZADJRAGMGFMDD-UHFFFAOYSA-N 0 0 336.435 3.729 10 0 EHAERN CC[C@@H](COC(=O)c1cccc(C[S@@](C)=O)c1)c1ccccc1 ZINC000105775335 1135976373 /nfs/dbraw/zinc/97/63/73/1135976373.db2.gz GQAFCQJKJWGAOF-HJPURHCSSA-N 0 0 330.449 3.916 10 0 EHAERN COCCCOC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000103661435 1137466762 /nfs/dbraw/zinc/46/67/62/1137466762.db2.gz KMVDTYXJNWEABE-ZIAGYGMSSA-N 0 0 331.437 3.926 10 0 EHAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000102901858 1137874400 /nfs/dbraw/zinc/87/44/00/1137874400.db2.gz LGFONXUNMODCHN-RISCZKNCSA-N 0 0 330.350 3.587 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1nnc(CC(C)C)s1 ZINC000104978007 1137879817 /nfs/dbraw/zinc/87/98/17/1137879817.db2.gz VBVHDSILCOUPBY-UHFFFAOYSA-N 0 0 347.488 3.618 10 0 EHAERN CC[C@@H](NC(=O)N(C)Cc1ccc(Cl)nc1)c1nc(C)cs1 ZINC000105306936 1137880681 /nfs/dbraw/zinc/88/06/81/1137880681.db2.gz LSKLNXYDPIYWBD-GFCCVEGCSA-N 0 0 338.864 3.793 10 0 EHAERN CC(C)(C)NC(=O)C[S@](=O)Cc1ccccc1Oc1ccccc1 ZINC000105669358 1137881642 /nfs/dbraw/zinc/88/16/42/1137881642.db2.gz GYEXXKSLGRXQEV-DEOSSOPVSA-N 0 0 345.464 3.642 10 0 EHAERN CCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(C)c3)ccc12 ZINC000003579182 1138103691 /nfs/dbraw/zinc/10/36/91/1138103691.db2.gz NSDYJBZISHADCW-UHFFFAOYSA-N 0 0 337.375 3.681 10 0 EHAERN C[C@H]1CC(CNC(=O)Nc2nc3c(s2)CCC3(C)C)C[C@H](C)O1 ZINC000333521152 1138299790 /nfs/dbraw/zinc/29/97/90/1138299790.db2.gz KSAIANZYTVKGJE-QWRGUYRKSA-N 0 0 337.489 3.692 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](O)C23CCCC3)c2ccccc21 ZINC000333986933 1138357965 /nfs/dbraw/zinc/35/79/65/1138357965.db2.gz HEKJYYBOURTGKD-JLSDUUJJSA-N 0 0 328.456 3.714 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(=O)[nH]c(CC(C)C)c2)cs1 ZINC000187032655 1140233732 /nfs/dbraw/zinc/23/37/32/1140233732.db2.gz BGWRRSYFRGPYRJ-INIZCTEOSA-N 0 0 345.468 3.728 10 0 EHAERN COC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187087983 1140237589 /nfs/dbraw/zinc/23/75/89/1140237589.db2.gz KGAACKSILGQWEL-HNNXBMFYSA-N 0 0 345.424 3.607 10 0 EHAERN CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187122819 1140240358 /nfs/dbraw/zinc/24/03/58/1140240358.db2.gz XDVKCFHNLVURMF-HNNXBMFYSA-N 0 0 348.472 3.611 10 0 EHAERN COc1cc(C)cc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187256872 1140246451 /nfs/dbraw/zinc/24/64/51/1140246451.db2.gz WMVONKAAFHUWHJ-KRWDZBQOSA-N 0 0 345.468 3.815 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000189746921 1140362102 /nfs/dbraw/zinc/36/21/02/1140362102.db2.gz YSOYBXIDODUJOP-HNNXBMFYSA-N 0 0 337.395 3.505 10 0 EHAERN O[C@H](COc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000054436516 214238462 /nfs/dbraw/zinc/23/84/62/214238462.db2.gz RALFCPOVQOVQLJ-LBPRGKRZSA-N 0 0 325.177 3.571 10 0 EHAERN Nc1nc(-c2nc3cc(Br)ccc3n2C2CC2)cs1 ZINC000055176811 214284646 /nfs/dbraw/zinc/28/46/46/214284646.db2.gz CMPYQLUMWBAPES-UHFFFAOYSA-N 0 0 335.230 3.839 10 0 EHAERN Cc1cc(N[C@H](C)C(=O)N2CCCCC2)ccc1Br ZINC000055421765 214323088 /nfs/dbraw/zinc/32/30/88/214323088.db2.gz SYTLHDNOFIFSGE-GFCCVEGCSA-N 0 0 325.250 3.570 10 0 EHAERN COc1cccc(-c2c3c(N)ncnc3nc(C)c2C(C)C)c1OC ZINC000009694667 201784652 /nfs/dbraw/zinc/78/46/52/201784652.db2.gz XPZIRWJRHXPVRN-UHFFFAOYSA-N 0 0 338.411 3.723 10 0 EHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-n1cccn1 ZINC000045062995 213705509 /nfs/dbraw/zinc/70/55/09/213705509.db2.gz XVZGHMDZPOKTLT-OLZOCXBDSA-N 0 0 337.345 3.723 10 0 EHAERN Cc1cccc(N)c1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000038001369 202080100 /nfs/dbraw/zinc/08/01/00/202080100.db2.gz QJKXFJQQPMAUSP-UHFFFAOYSA-N 0 0 325.195 3.902 10 0 EHAERN COc1cccc(CCNC(=O)c2c(C)noc2-c2cccs2)c1 ZINC000022658690 202090272 /nfs/dbraw/zinc/09/02/72/202090272.db2.gz JPBHYVBZMWXTHF-UHFFFAOYSA-N 0 0 342.420 3.693 10 0 EHAERN CCn1nnc2cc(C(=O)Nc3cc(C)c(Cl)cc3OC)ccc21 ZINC000023655416 202106852 /nfs/dbraw/zinc/10/68/52/202106852.db2.gz NZLVAFOPIGBOEF-UHFFFAOYSA-N 0 0 344.802 3.674 10 0 EHAERN CC(C)[C@@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000025975450 202137570 /nfs/dbraw/zinc/13/75/70/202137570.db2.gz ANCITZGBUKRRLM-GFCCVEGCSA-N 0 0 331.437 3.961 10 0 EHAERN CC(C)[C@@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000031318549 202205376 /nfs/dbraw/zinc/20/53/76/202205376.db2.gz QTYCMDBMOLSEAM-NJAFHUGGSA-N 0 0 333.863 3.588 10 0 in-vitro EHAERN CCc1ccccc1NC(=O)CCn1c(=O)cc(C)c2ccccc21 ZINC000032526322 202226504 /nfs/dbraw/zinc/22/65/04/202226504.db2.gz IHAVHABVASYWHH-UHFFFAOYSA-N 0 0 334.419 3.901 10 0 EHAERN Cc1cc(NC(=O)c2cccnc2)c2cc(C(=O)OC(C)C)ccc2n1 ZINC000032606195 202229100 /nfs/dbraw/zinc/22/91/00/202229100.db2.gz HELKFOKAMLGHSX-UHFFFAOYSA-N 0 0 349.390 3.756 10 0 EHAERN CC[C@H](C)NC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(C)ccc12 ZINC000033251576 202252587 /nfs/dbraw/zinc/25/25/87/202252587.db2.gz CUBJFNDZIMKVFX-VIFPVBQESA-N 0 0 347.465 3.821 10 0 EHAERN CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)SC2=NCCN12 ZINC000033886443 202270441 /nfs/dbraw/zinc/27/04/41/202270441.db2.gz BCKCHZCSPMOHMR-UHFFFAOYSA-N 0 0 328.224 3.582 10 0 EHAERN O=C(c1cn2c(n1)CC[C@H](c1cc(F)ccc1F)C2)N1CCCCC1 ZINC000034898889 202280556 /nfs/dbraw/zinc/28/05/56/202280556.db2.gz XXKGEEXDROHINT-ZDUSSCGKSA-N 0 0 345.393 3.517 10 0 EHAERN Brc1nn2c3c(nc2s1)CC[C@H](c1ccccc1)C3 ZINC000037353225 202339312 /nfs/dbraw/zinc/33/93/12/202339312.db2.gz CSJYDUAXQKRVMS-JTQLQIEISA-N 0 0 334.242 3.826 10 0 EHAERN Cc1ncsc1CCOCc1c(N)cccc1Br ZINC000037402228 202340283 /nfs/dbraw/zinc/34/02/83/202340283.db2.gz VSBWMIHTIGJYKD-UHFFFAOYSA-N 0 0 327.247 3.556 10 0 EHAERN COc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 ZINC000040249802 202430592 /nfs/dbraw/zinc/43/05/92/202430592.db2.gz YILQOWCVZQYTJH-UHFFFAOYSA-N 0 0 349.434 3.724 10 0 EHAERN Cc1cc(Oc2ncnc(Nc3cccnc3)c2N)ccc1Cl ZINC000040759806 202462652 /nfs/dbraw/zinc/46/26/52/202462652.db2.gz QROQTTHDOIUELN-UHFFFAOYSA-N 0 0 327.775 3.952 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)n1 ZINC000040685566 202458251 /nfs/dbraw/zinc/45/82/51/202458251.db2.gz XTTFTRYUULGVOK-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN CS(=O)(=O)c1ccc(-c2nc3n(c2-c2ccccc2)CCC3)cc1 ZINC000027526710 212561600 /nfs/dbraw/zinc/56/16/00/212561600.db2.gz HRUPEYICUWCINU-UHFFFAOYSA-N 0 0 338.432 3.567 10 0 EHAERN COCc1cc(Cl)nc(Nc2ccc(Br)cc2F)n1 ZINC000057343541 201139345 /nfs/dbraw/zinc/13/93/45/201139345.db2.gz GJQZPKSVXZWRNR-UHFFFAOYSA-N 0 0 346.587 3.922 10 0 EHAERN Oc1ccc2c(c1)n(-c1cccc(F)c1)nc2-c1ccc(O)cc1O ZINC000013586329 201365922 /nfs/dbraw/zinc/36/59/22/201365922.db2.gz OFIVJOJVGANQBF-UHFFFAOYSA-N 0 0 336.322 3.948 10 0 EHAERN Cc1ccc(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(C)cc1 ZINC000090395636 201371846 /nfs/dbraw/zinc/37/18/46/201371846.db2.gz ZCDDNPPMDNVXPK-UHFFFAOYSA-N 0 0 339.416 3.573 10 0 EHAERN CN(C)c1nc(Cl)nc2c1ncn2Cc1ccc(C(C)(C)C)cc1 ZINC000029571694 201388226 /nfs/dbraw/zinc/38/82/26/201388226.db2.gz FWSPNOQTFVRQRO-UHFFFAOYSA-N 0 0 343.862 3.892 10 0 EHAERN Cn1c(SCC(=O)c2ccccc2)nnc1-c1c[nH]c2ccccc21 ZINC000004138487 201590979 /nfs/dbraw/zinc/59/09/79/201590979.db2.gz YJYMTDTUIXAVML-UHFFFAOYSA-N 0 0 348.431 3.938 10 0 EHAERN O=C1N[C@](c2ccccc2)(C(F)(F)F)Cc2nc3ccccc3n21 ZINC000005267242 201644985 /nfs/dbraw/zinc/64/49/85/201644985.db2.gz MQHKPOSRWVXUIR-MRXNPFEDSA-N 0 0 331.297 3.608 10 0 EHAERN COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000069528513 203014795 /nfs/dbraw/zinc/01/47/95/203014795.db2.gz RCQXMRVAIJOHMK-CABCVRRESA-N 0 0 331.362 3.736 10 0 EHAERN O=C(NCc1csc(C2CC2)n1)c1cccc(Br)c1 ZINC000069751798 203046592 /nfs/dbraw/zinc/04/65/92/203046592.db2.gz KGGXJVVFWMWMPE-UHFFFAOYSA-N 0 0 337.242 3.713 10 0 EHAERN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1cccnc1 ZINC000071326721 203092480 /nfs/dbraw/zinc/09/24/80/203092480.db2.gz RFMCTOGMGKIBOF-UHFFFAOYSA-N 0 0 330.457 3.521 10 0 EHAERN CC(C)c1cc(C(=O)N[C@H](C)c2cccc(Br)c2)[nH]n1 ZINC000071968689 203154899 /nfs/dbraw/zinc/15/48/99/203154899.db2.gz QRNFESUDGLLQCO-SNVBAGLBSA-N 0 0 336.233 3.787 10 0 EHAERN C[C@H]1CN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000072101571 203162601 /nfs/dbraw/zinc/16/26/01/203162601.db2.gz QYRPYJLUJUNXNC-RYUDHWBXSA-N 0 0 340.345 3.970 10 0 EHAERN O=c1[nH]c(NC2CCCC2)nc2nccc(-c3ccc(Cl)cc3)c12 ZINC000072440638 203226208 /nfs/dbraw/zinc/22/62/08/203226208.db2.gz AFASPPHDUQPITI-UHFFFAOYSA-N 0 0 340.814 3.993 10 0 EHAERN CCCCCn1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O ZINC000072465566 203229897 /nfs/dbraw/zinc/22/98/97/203229897.db2.gz ZMGMASOYBHTINM-UHFFFAOYSA-N 0 0 339.443 3.677 10 0 EHAERN NC(=S)c1ccc(COc2cccc(Br)c2)c(F)c1 ZINC000019806135 212071245 /nfs/dbraw/zinc/07/12/45/212071245.db2.gz UJLJDHUWNAKSTF-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN NC(=S)c1ccc(COc2ccccc2Br)c(F)c1 ZINC000019508929 212034448 /nfs/dbraw/zinc/03/44/48/212034448.db2.gz QERRVBBJZIWGOQ-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2C(F)(F)F)C1 ZINC000095642309 203766864 /nfs/dbraw/zinc/76/68/64/203766864.db2.gz KAFAVBCMBMIRBY-ZDUSSCGKSA-N 0 0 330.350 3.587 10 0 EHAERN CC(C)NC(=O)[C@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1 ZINC000096264447 203885629 /nfs/dbraw/zinc/88/56/29/203885629.db2.gz DMHOTFHBQQCXDH-CQSZACIVSA-N 0 0 347.509 3.537 10 0 EHAERN COc1ccc([C@H](C)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1OC ZINC000097168060 203930411 /nfs/dbraw/zinc/93/04/11/203930411.db2.gz POLZXZOXHQKCRS-QMMMGPOBSA-N 0 0 343.210 3.830 10 0 EHAERN Nc1c2cccc(I)c2[nH+]c2c1CCCCC2 ZINC000103993713 204091810 /nfs/dbraw/zinc/09/18/10/204091810.db2.gz SRIBZPTWZKZZJA-UHFFFAOYSA-N 0 0 338.192 3.691 10 0 EHAERN CCOP(=O)(OCC)[C@@](N)(Cc1ccccc1)C(F)(F)F ZINC000091252835 217986926 /nfs/dbraw/zinc/98/69/26/217986926.db2.gz OZWLJOWSJRMNBU-LBPRGKRZSA-N 0 0 325.267 3.713 10 0 EHAERN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)C1CCC1 ZINC000037276175 132393625 /nfs/dbraw/zinc/39/36/25/132393625.db2.gz XJYKCGUBQJCUOU-MRXNPFEDSA-N 0 0 348.446 3.717 10 0 EHAERN Cc1ccc(F)c(N2CCN(Cc3ccccc3F)[C@@H](C)C2=O)c1 ZINC000037513112 132393949 /nfs/dbraw/zinc/39/39/49/132393949.db2.gz NPQRKLQIVWHBDB-AWEZNQCLSA-N 0 0 330.378 3.511 10 0 EHAERN Cc1ccc(CN2CCN(C(=O)c3ccco3)c3cccnc32)cc1 ZINC000064929698 132806831 /nfs/dbraw/zinc/80/68/31/132806831.db2.gz BEDDOFPBEASFGB-UHFFFAOYSA-N 0 0 333.391 3.650 10 0 EHAERN COc1cccc(C[C@@H](O)c2cc(Br)ccc2F)c1 ZINC000062140890 518164412 /nfs/dbraw/zinc/16/44/12/518164412.db2.gz MJQLNDQOIZNCTL-OAHLLOKOSA-N 0 0 325.177 3.873 10 0 EHAERN C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)[C@@H]1CCCO1 ZINC000027901332 524875527 /nfs/dbraw/zinc/87/55/27/524875527.db2.gz MKGGKWUTBSGZIC-FTHFJMPFSA-N 0 0 330.815 3.585 10 0 EHAERN COc1ccc([C@H](C)NC(=O)NCc2ccc(F)c(C)c2)cc1OC ZINC000045345773 525308856 /nfs/dbraw/zinc/30/88/56/525308856.db2.gz SLWJBBFJTQGTSR-ZDUSSCGKSA-N 0 0 346.402 3.712 10 0 EHAERN CCCOC(=O)c1ccc(Br)cc1C(=O)OCCC ZINC000005952084 563556000 /nfs/dbraw/zinc/55/60/00/563556000.db2.gz JFTQJPQVOSMJEP-UHFFFAOYSA-N 0 0 329.190 3.583 10 0 EHAERN COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=O)[C@@H]2C)cc1 ZINC000013139341 563690963 /nfs/dbraw/zinc/69/09/63/563690963.db2.gz RVYZVGKIODSCSZ-UYVJDWJCSA-N 0 0 339.435 3.931 10 0 EHAERN Cc1cnn(Cc2cccc(C)c2)c1NC(=O)c1ccncc1Cl ZINC000065409315 563960423 /nfs/dbraw/zinc/96/04/23/563960423.db2.gz WELXOHVSKWKDOP-UHFFFAOYSA-N 0 0 340.814 3.849 10 0 EHAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000724113328 563963499 /nfs/dbraw/zinc/96/34/99/563963499.db2.gz YFXQIPAYSBDXNV-FZKQIMNGSA-N 0 0 336.501 3.804 10 0 EHAERN CCCn1cnc(-c2ccc(F)c(C)c2)c(Br)c1=O ZINC000725243561 563975409 /nfs/dbraw/zinc/97/54/09/563975409.db2.gz SVKFEPCUOHNLMV-UHFFFAOYSA-N 0 0 325.181 3.530 10 0 EHAERN CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 ZINC000095933393 563983091 /nfs/dbraw/zinc/98/30/91/563983091.db2.gz UJIRULANAUYZIL-INIZCTEOSA-N 0 0 340.375 3.908 10 0 EHAERN CCN(C(=O)Cc1noc2ccccc12)c1nnc(C)c2ccccc21 ZINC000120122001 563988191 /nfs/dbraw/zinc/98/81/91/563988191.db2.gz NHMCZAFLOJRECP-UHFFFAOYSA-N 0 0 346.390 3.675 10 0 EHAERN CC[C@H](C)NC(=O)c1cc(=O)n(Cc2cccc(C)c2)c2ccccc12 ZINC000000217632 563988705 /nfs/dbraw/zinc/98/87/05/563988705.db2.gz DWUHSLBRBKTTKY-INIZCTEOSA-N 0 0 348.446 3.887 10 0 EHAERN C[C@H](c1ccccc1)N1C(=O)CC[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000000218628 563988766 /nfs/dbraw/zinc/98/87/66/563988766.db2.gz SJSYWAFLUMTAIC-IERDGZPVSA-N 0 0 342.483 3.968 10 0 EHAERN Cc1ccccc1N1C(=O)CN(Cc2c[nH]c3ccccc23)C[C@@H]1C ZINC000015003761 564052236 /nfs/dbraw/zinc/05/22/36/564052236.db2.gz IHLFWNXFGCFJQU-INIZCTEOSA-N 0 0 333.435 3.714 10 0 EHAERN COC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1 ZINC000015774301 564073799 /nfs/dbraw/zinc/07/37/99/564073799.db2.gz UGPAWOMKVHZZGJ-UHFFFAOYSA-N 0 0 348.402 3.999 10 0 EHAERN O=c1[nH]c2cc(Br)ccc2cc1-c1nc2ccccc2[nH]1 ZINC000000396026 564082642 /nfs/dbraw/zinc/08/26/42/564082642.db2.gz SYMKLGPGYXXAIM-UHFFFAOYSA-N 0 0 340.180 3.834 10 0 EHAERN O=C(N[C@H]1CC[C@H](O)CC1)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000244734720 564088571 /nfs/dbraw/zinc/08/85/71/564088571.db2.gz NKRMTARLOLEVCI-WKILWMFISA-N 0 0 342.439 3.909 10 0 EHAERN CCC(=O)N(Cc1nccn1Cc1c(F)cccc1Cl)C(C)C ZINC000006689208 564095894 /nfs/dbraw/zinc/09/58/94/564095894.db2.gz RWAMMTLUHXQPLT-UHFFFAOYSA-N 0 0 337.826 3.871 10 0 EHAERN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NC(C)C)cc3)ccc21 ZINC000065026840 564099655 /nfs/dbraw/zinc/09/96/55/564099655.db2.gz PDBDQQSILURESQ-UHFFFAOYSA-N 0 0 336.435 3.791 10 0 EHAERN Cc1csc(-c2cn(CC(=O)Nc3cc(C)ccc3C)cn2)n1 ZINC000065250525 564103455 /nfs/dbraw/zinc/10/34/55/564103455.db2.gz KWAFWVZWUVOSQB-UHFFFAOYSA-N 0 0 326.425 3.571 10 0 EHAERN Cc1ccc(S(=O)(=O)N2CC=C(Cl)c3cc(F)ccc32)cc1 ZINC000048522841 564129258 /nfs/dbraw/zinc/12/92/58/564129258.db2.gz VSAWMVGLOHRNJT-UHFFFAOYSA-N 0 0 337.803 3.923 10 0 EHAERN CC(=O)N1c2ccccc2C(=O)O[C@H]1c1ccc(Br)cc1 ZINC000048554632 564129420 /nfs/dbraw/zinc/12/94/20/564129420.db2.gz JARMUKAAWVIWPF-HNNXBMFYSA-N 0 0 346.180 3.671 10 0 EHAERN C[C@H](COCc1ccccc1)CC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000685962022 564177244 /nfs/dbraw/zinc/17/72/44/564177244.db2.gz RBJDZEGWLJMZDQ-GJZGRUSLSA-N 0 0 335.444 3.712 10 0 EHAERN Cc1ccc(C[N@H+](C)CCCOCc2ccccc2)cc1C(=O)[O-] ZINC000701821089 977043526 /nfs/dbraw/zinc/04/35/26/977043526.db2.gz SZCZVUQQGJHSIO-UHFFFAOYSA-N 0 0 327.424 3.732 10 0 EHAERN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)C[C@H](C)C(C)C ZINC000117708042 1015701791 /nfs/dbraw/zinc/70/17/91/1015701791.db2.gz CQXXUKJUFPBQDX-DOTOQJQBSA-N 0 0 346.471 3.615 10 0 EHAERN C[C@H]1C[C@@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CC(C)(C)C1 ZINC000275306455 1016350147 /nfs/dbraw/zinc/35/01/47/1016350147.db2.gz BBXACJFIFJXJCG-XOYOTBSWSA-N 0 0 330.472 3.880 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C(C)(C)c1ccccc1 ZINC000138837996 1016394352 /nfs/dbraw/zinc/39/43/52/1016394352.db2.gz AVUWFLAKJCHNTC-YRISNDGFSA-N 0 0 344.499 3.689 10 0 EHAERN Cc1oc2nc(CN3CC[C@H](C(F)(F)F)C3(C)C)nc(N)c2c1C ZINC000407951290 1016473223 /nfs/dbraw/zinc/47/32/23/1016473223.db2.gz CQJITFBZQBQMBG-JTQLQIEISA-N 0 0 342.365 3.585 10 0 EHAERN Cc1cc([C@H]2CCCN(c3nc(C)nc4scc(C)c43)C2)n[nH]1 ZINC000407961136 1016503540 /nfs/dbraw/zinc/50/35/40/1016503540.db2.gz BCRZINVISUBMCU-ZDUSSCGKSA-N 0 0 327.457 3.724 10 0 EHAERN CCn1cnnc1C1CCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000407963935 1016518304 /nfs/dbraw/zinc/51/83/04/1016518304.db2.gz FMNFCMSCLZNXJC-HOTGVXAUSA-N 0 0 346.519 3.857 10 0 EHAERN COC(=O)c1c(NC(=O)N2C[C@@H]3CCC[C@H]32)sc2c1CCCCC2 ZINC000407967051 1016543727 /nfs/dbraw/zinc/54/37/27/1016543727.db2.gz BTVMPOYCZUVYFT-WCQYABFASA-N 0 0 348.468 3.820 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H]2CCO[C@@H]2C2CC2)o1 ZINC000408014131 1016917693 /nfs/dbraw/zinc/91/76/93/1016917693.db2.gz JDNDTCLWZRLGML-BLBBIFAFSA-N 0 0 332.444 3.638 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCO[C@@H]2C2CC2)o1 ZINC000408015013 1016922978 /nfs/dbraw/zinc/92/29/78/1016922978.db2.gz ZBHRIXBNBSUEHU-SOLBZPMBSA-N 0 0 332.444 3.782 10 0 EHAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000182998245 1032155324 /nfs/dbraw/zinc/15/53/24/1032155324.db2.gz BHSLIQJGOLPUQG-OLMNPRSZSA-N 0 0 337.423 3.698 10 0 EHAERN CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000183414525 1032167704 /nfs/dbraw/zinc/16/77/04/1032167704.db2.gz PPPQVECAAIJTHZ-UHFFFAOYSA-N 0 0 339.399 3.855 10 0 EHAERN Cc1ccn(-c2ccccc2N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000183442307 1032171340 /nfs/dbraw/zinc/17/13/40/1032171340.db2.gz BBXIKRPMTBCSRE-INIZCTEOSA-N 0 0 344.422 3.935 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2cccc(F)c2F)c2ccccc2)[nH]1 ZINC000183255138 1032186671 /nfs/dbraw/zinc/18/66/71/1032186671.db2.gz DUZDZWBRBBNQON-DIFFPNOSSA-N 0 0 328.366 3.832 10 0 EHAERN Cn1cnc2cc(C(=O)N3CCCC4(C3)CCCCCC4)cnc21 ZINC000183663875 1032216245 /nfs/dbraw/zinc/21/62/45/1032216245.db2.gz FKWIPGATUXTLFI-UHFFFAOYSA-N 0 0 326.444 3.545 10 0 EHAERN O=C(Nc1ccc(Cl)c(F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184075411 1032249229 /nfs/dbraw/zinc/24/92/29/1032249229.db2.gz AGYQCMATFNQXAG-UHFFFAOYSA-N 0 0 348.809 3.618 10 0 EHAERN CCCCn1cc(C(=O)N2CCC(c3nc(C)cs3)CC2)c(C)n1 ZINC000185238420 1032371809 /nfs/dbraw/zinc/37/18/09/1032371809.db2.gz GYNRPOVEMMRZNO-UHFFFAOYSA-N 0 0 346.500 3.776 10 0 EHAERN COc1ccc2c(c1)[nH]nc2NC(=O)C=Cc1ccnc2ccccc12 ZINC000588599637 1032451882 /nfs/dbraw/zinc/45/18/82/1032451882.db2.gz BSGKZXANUKXLIW-TWGQIWQCSA-N 0 0 344.374 3.772 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(N2CCCNC2=O)c1 ZINC000176665906 1017436378 /nfs/dbraw/zinc/43/63/78/1017436378.db2.gz XBEZYVVJGLPAMT-YOEHRIQHSA-N 0 0 343.471 3.551 10 0 EHAERN O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N[C@@H]1CCCC[C@@H]1O ZINC000333264433 1018987642 /nfs/dbraw/zinc/98/76/42/1018987642.db2.gz CXCLERZQLQSVMH-SVGFKBNWSA-N 0 0 336.863 3.579 10 0 EHAERN O=C(N[C@H]1CC12CCCCC2)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333270791 1019010468 /nfs/dbraw/zinc/01/04/68/1019010468.db2.gz VZHDZWJADCRCKN-YCPHGPKFSA-N 0 0 334.485 3.990 10 0 EHAERN O=C1OC(c2cccnc2)=N/C1=C/c1ccc(Oc2ccccc2)o1 ZINC000588410006 1020849395 /nfs/dbraw/zinc/84/93/95/1020849395.db2.gz WCOZEXUOPLDAEJ-LFIBNONCSA-N 0 0 332.315 3.811 10 0 EHAERN C/C(=C/C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000588420491 1021235691 /nfs/dbraw/zinc/23/56/91/1021235691.db2.gz CRODYAIHIBOPKL-UILAEWCASA-N 0 0 339.357 3.962 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2ccc3c(n2)CCCC3=O)CC12CCC2 ZINC000333697853 1021240300 /nfs/dbraw/zinc/24/03/00/1021240300.db2.gz REEJMMYDLTZCKU-ZDUSSCGKSA-N 0 0 327.428 3.645 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N2CCCc3c(cnn3C)C2)c2ccccc21 ZINC000334043005 1021900012 /nfs/dbraw/zinc/90/00/12/1021900012.db2.gz OYRZIOMUCYXZQV-KSSFIOAISA-N 0 0 338.455 3.517 10 0 EHAERN C[C@H]1CC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H](C)O1 ZINC000093905296 1021997147 /nfs/dbraw/zinc/99/71/47/1021997147.db2.gz MVEWBBKKFFIBNV-STQMWFEESA-N 0 0 331.412 3.870 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)C1(C)C ZINC000333855887 1022306965 /nfs/dbraw/zinc/30/69/65/1022306965.db2.gz OORWQGBXOWPAPV-KPHUOKFYSA-N 0 0 345.487 3.899 10 0 EHAERN O=C(c1c(Cl)cccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127817377 1022400668 /nfs/dbraw/zinc/40/06/68/1022400668.db2.gz CSDXLINUXOHDDW-MEDUHNTESA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1csc(-c2cccs2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128044412 1022407486 /nfs/dbraw/zinc/40/74/86/1022407486.db2.gz FQTOOYPTKYYPQW-PXAZEXFGSA-N 0 0 348.493 3.639 10 0 EHAERN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128214379 1022419319 /nfs/dbraw/zinc/41/93/19/1022419319.db2.gz WOPQFCJXPHIJJD-CJNGLKHVSA-N 0 0 342.361 3.864 10 0 EHAERN O=C(/C=C\c1ccncn1)Oc1ccc(Sc2ccncc2)cc1 ZINC000588437835 1022423509 /nfs/dbraw/zinc/42/35/09/1022423509.db2.gz YQJFWWSUWMISNJ-BHQIHCQQSA-N 0 0 335.388 3.642 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1Cl ZINC000162728228 1023120440 /nfs/dbraw/zinc/12/04/40/1023120440.db2.gz BFVSIRFMZKFMCL-UHFFFAOYSA-N 0 0 346.862 3.869 10 0 EHAERN COc1ccc(-c2noc(CNc3cc(C)cc(C)c3)n2)cc1OC ZINC000198411622 1033114824 /nfs/dbraw/zinc/11/48/24/1033114824.db2.gz LWFBTELMISHZDD-UHFFFAOYSA-N 0 0 339.395 3.983 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000090224647 1023256485 /nfs/dbraw/zinc/25/64/85/1023256485.db2.gz AYYZPXPFPZLYNF-DLBZAZTESA-N 0 0 326.444 3.542 10 0 EHAERN O=C(Nc1ccc(F)cc1Cl)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000080740760 1023280190 /nfs/dbraw/zinc/28/01/90/1023280190.db2.gz BGKXNUGXRKABIR-GJZGRUSLSA-N 0 0 336.798 3.981 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N(C)[C@H](C)c3cnn(C)c3)cc2O1 ZINC000190425136 1023286527 /nfs/dbraw/zinc/28/65/27/1023286527.db2.gz WKDJFXSWLJPKAC-KZULUSFZSA-N 0 0 344.415 3.542 10 0 EHAERN CC(C)(C)C(=O)N1CCCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000080978580 1023287989 /nfs/dbraw/zinc/28/79/89/1023287989.db2.gz MCMRXZYBNFRSFS-UHFFFAOYSA-N 0 0 345.874 3.973 10 0 EHAERN C/C(=C/C(=O)N(C)c1nncs1)c1ccc(C(F)(F)F)cc1 ZINC000588469492 1023594517 /nfs/dbraw/zinc/59/45/17/1023594517.db2.gz KRAJGZBJIBDLGB-CLFYSBASSA-N 0 0 327.331 3.623 10 0 EHAERN COc1cc(F)c(C(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1OC ZINC000167161292 1023959616 /nfs/dbraw/zinc/95/96/16/1023959616.db2.gz SVSMMVAUTUXZOR-MRXNPFEDSA-N 0 0 344.386 3.524 10 0 EHAERN Cc1c(F)cccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000151018833 1024021665 /nfs/dbraw/zinc/02/16/65/1024021665.db2.gz FEUMGJMLKJLTDE-UHFFFAOYSA-N 0 0 333.432 3.986 10 0 EHAERN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@@H](n3cccn3)C2)n1 ZINC000329819111 1024207259 /nfs/dbraw/zinc/20/72/59/1024207259.db2.gz XPMPWIRDBAWFFF-HZPDHXFCSA-N 0 0 337.427 3.640 10 0 EHAERN COc1ccc(CC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)cc1F ZINC000101529878 1024328994 /nfs/dbraw/zinc/32/89/94/1024328994.db2.gz ZAJUAOXYMQSEDK-UHFFFAOYSA-N 0 0 345.414 3.661 10 0 EHAERN COc1cccc(/C(C)=C/C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000151794486 1024653774 /nfs/dbraw/zinc/65/37/74/1024653774.db2.gz VHEHDCHUVUUHFS-FIIODCPWSA-N 0 0 341.407 3.600 10 0 EHAERN CC(C)c1nnc([C@H]2CN(C(=O)[C@@H]3C[C@@H](C)CC(C)(C)C3)CCO2)o1 ZINC000330344844 1025031195 /nfs/dbraw/zinc/03/11/95/1025031195.db2.gz DKRYXHSLHWSKKR-RBSFLKMASA-N 0 0 349.475 3.555 10 0 EHAERN C[C@H](CCC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000152126558 1025209361 /nfs/dbraw/zinc/20/93/61/1025209361.db2.gz LGXAWTNLDODSGU-QGZVFWFLSA-N 0 0 339.483 3.785 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1CCCCC1(C)C ZINC000121502705 1025469610 /nfs/dbraw/zinc/46/96/10/1025469610.db2.gz UDFNXELDTPZCLC-GJZGRUSLSA-N 0 0 332.492 3.959 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1CCCCC1(C)C ZINC000121503009 1025470233 /nfs/dbraw/zinc/47/02/33/1025470233.db2.gz UDFNXELDTPZCLC-CABCVRRESA-N 0 0 332.492 3.959 10 0 EHAERN CC1(C)CCCN1C(=O)NCc1ccccc1OCC(F)(F)F ZINC000102959302 1025559932 /nfs/dbraw/zinc/55/99/32/1025559932.db2.gz YSUOSSFXMJMYGV-UHFFFAOYSA-N 0 0 330.350 3.712 10 0 EHAERN O=Cc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000121669936 1025635034 /nfs/dbraw/zinc/63/50/34/1025635034.db2.gz SFZQAWWYFCLMEG-IBGZPJMESA-N 0 0 334.350 3.553 10 0 EHAERN O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329169173 1025638237 /nfs/dbraw/zinc/63/82/37/1025638237.db2.gz JLHXGXNCRVWAKG-PQEBFOHHSA-N 0 0 343.471 3.869 10 0 EHAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@H](C)OC1CCCCCC1 ZINC000329258180 1025698029 /nfs/dbraw/zinc/69/80/29/1025698029.db2.gz CGSSPSHKBSRBJK-DOTOQJQBSA-N 0 0 338.492 3.718 10 0 EHAERN CC(C)c1nnc([C@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)[nH]1 ZINC000329602301 1026060067 /nfs/dbraw/zinc/06/00/67/1026060067.db2.gz KVWYPMVMGBHICM-IAGOWNOFSA-N 0 0 338.455 3.712 10 0 EHAERN CCCC[C@@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000103316764 1026075679 /nfs/dbraw/zinc/07/56/79/1026075679.db2.gz UYELUFPRLFKGIT-QZTJIDSGSA-N 0 0 334.460 3.747 10 0 EHAERN CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1Cl ZINC000103753024 1026124977 /nfs/dbraw/zinc/12/49/77/1026124977.db2.gz ZRLTWVIJZHWRMU-UHFFFAOYSA-N 0 0 344.802 3.661 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)=O)cs3)C2)cc1 ZINC000122067744 1026172766 /nfs/dbraw/zinc/17/27/66/1026172766.db2.gz IFIYYNTZCXLTAK-SWLSCSKDSA-N 0 0 343.448 3.978 10 0 EHAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1csc(C2CCCCC2)n1 ZINC000047348943 1026211449 /nfs/dbraw/zinc/21/14/49/1026211449.db2.gz ASSGBSALDDBZIL-GJZGRUSLSA-N 0 0 330.453 3.642 10 0 EHAERN CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000122138558 1026252035 /nfs/dbraw/zinc/25/20/35/1026252035.db2.gz MDPLKCKFGBVYNT-WDEREUQCSA-N 0 0 340.242 3.866 10 0 EHAERN CCc1onc(C)c1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122368725 1026422741 /nfs/dbraw/zinc/42/27/41/1026422741.db2.gz VEEOLJFBGXPJLY-SWLSCSKDSA-N 0 0 328.412 3.572 10 0 EHAERN CCCCc1nnc(NC(=O)N(C)CCc2ccccc2OC)s1 ZINC000104978328 1026466516 /nfs/dbraw/zinc/46/65/16/1026466516.db2.gz CKIPDZWOULNLIK-UHFFFAOYSA-N 0 0 348.472 3.596 10 0 EHAERN Cc1ccc(N2CCC(Nc3ccc(Br)cn3)CC2)nc1 ZINC000301410083 1026795528 /nfs/dbraw/zinc/79/55/28/1026795528.db2.gz XNERQIJKWCEAEA-UHFFFAOYSA-N 0 0 347.260 3.628 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(F)cc3Cl)CCO2)o1 ZINC000152947519 1026879925 /nfs/dbraw/zinc/87/99/25/1026879925.db2.gz GHWGIVFEHJWONT-HNNXBMFYSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1cccc([C@@H](Nc2cc(=O)n3ccccc3n2)c2ccccn2)c1 ZINC000123066354 1026946397 /nfs/dbraw/zinc/94/63/97/1026946397.db2.gz PFWOOMUMMLNQNY-OAQYLSRUSA-N 0 0 342.402 3.599 10 0 EHAERN Cc1nc(N2CCC[C@H](c3nccs3)C2)ccc1Br ZINC000302096957 1027052692 /nfs/dbraw/zinc/05/26/92/1027052692.db2.gz SNCHCZXXDOOILV-NSHDSACASA-N 0 0 338.274 3.993 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)NCCCCC(C)(C)C)CC1 ZINC000126082921 1027158814 /nfs/dbraw/zinc/15/88/14/1027158814.db2.gz RKDDWKNBMIFOLK-UHFFFAOYSA-N 0 0 334.508 3.601 10 0 EHAERN CCO[C@@H](C)c1noc(CN2CC=C(c3ccccc3F)CC2)n1 ZINC000127743372 1027349344 /nfs/dbraw/zinc/34/93/44/1027349344.db2.gz KXXCORIBMIDCSC-ZDUSSCGKSA-N 0 0 331.391 3.596 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000129108141 1027523430 /nfs/dbraw/zinc/52/34/30/1027523430.db2.gz CHEZQHBPCRDUNG-AWEZNQCLSA-N 0 0 340.427 3.606 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000129267645 1027539373 /nfs/dbraw/zinc/53/93/73/1027539373.db2.gz HWVQBYHQSYPHHR-XWIAVFTESA-N 0 0 334.435 3.612 10 0 EHAERN Cc1cccc([C@H](NS(=O)(=O)[C@@H](C)CC(C)C)c2ccccn2)c1 ZINC000129899341 1027612245 /nfs/dbraw/zinc/61/22/45/1027612245.db2.gz DFYGVSLQKQDBMP-LPHOPBHVSA-N 0 0 346.496 3.833 10 0 EHAERN Cc1nnc(-c2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)o1 ZINC000153267814 1027623476 /nfs/dbraw/zinc/62/34/76/1027623476.db2.gz PNKSVQUJEGYRPR-UHFFFAOYSA-N 0 0 345.402 3.975 10 0 EHAERN CC[C@H](SC)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131096675 1027735419 /nfs/dbraw/zinc/73/54/19/1027735419.db2.gz RSHKVTBARVSUHJ-RDJZCZTQSA-N 0 0 343.496 3.924 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCc1cccc(Cl)c1 ZINC000105085612 1027762753 /nfs/dbraw/zinc/76/27/53/1027762753.db2.gz GGFXXMPMFSBUSG-UHFFFAOYSA-N 0 0 345.874 3.942 10 0 EHAERN CSc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000246177939 1027890528 /nfs/dbraw/zinc/89/05/28/1027890528.db2.gz CZNOPDFOLQIHGM-ARFHVFGLSA-N 0 0 332.469 3.878 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4c(cc(F)cc4C)[nH]3)CCO2)o1 ZINC000133364043 1028021796 /nfs/dbraw/zinc/02/17/96/1028021796.db2.gz WCFMOTOPNQIFJE-GOSISDBHSA-N 0 0 342.370 3.731 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCCSC(C)(C)C)CCO2)o1 ZINC000133648981 1028050455 /nfs/dbraw/zinc/05/04/55/1028050455.db2.gz MZFKNBOGIHAEQB-HNNXBMFYSA-N 0 0 325.474 3.800 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H]3SCCc4ccccc43)CCO2)o1 ZINC000133656148 1028050982 /nfs/dbraw/zinc/05/09/82/1028050982.db2.gz KBGATKJNFOXLDY-MSOLQXFVSA-N 0 0 343.448 3.519 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCC(=O)c3ccc(C)s3)CCO2)o1 ZINC000133750297 1028063030 /nfs/dbraw/zinc/06/30/30/1028063030.db2.gz GSJKPYIAJBYFJX-MRXNPFEDSA-N 0 0 347.436 3.521 10 0 EHAERN Cc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)sc1C ZINC000053640128 1028189842 /nfs/dbraw/zinc/18/98/42/1028189842.db2.gz PIGOMLUCLRDBAJ-UHFFFAOYSA-N 0 0 348.512 3.620 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000136884321 1028276628 /nfs/dbraw/zinc/27/66/28/1028276628.db2.gz SPPHGAIWPPVWMS-HNNXBMFYSA-N 0 0 331.803 3.729 10 0 EHAERN Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)[C@H](C)CC(C)C)CCC2 ZINC000246360339 1028281813 /nfs/dbraw/zinc/28/18/13/1028281813.db2.gz LCTXHFWKZXUVOT-RISCZKNCSA-N 0 0 330.519 3.525 10 0 EHAERN C[C@@]1(C(=O)N2CCC(Oc3ccccc3)CC2)CC1(Cl)Cl ZINC000055976501 1028305794 /nfs/dbraw/zinc/30/57/94/1028305794.db2.gz RSYMARJYQDTMTB-HNNXBMFYSA-N 0 0 328.239 3.640 10 0 EHAERN O=C(CCn1cnc2ccccc21)N1CC=C(c2ccccc2F)CC1 ZINC000137338102 1028309398 /nfs/dbraw/zinc/30/93/98/1028309398.db2.gz NRMDBVODRWTYHJ-UHFFFAOYSA-N 0 0 349.409 3.881 10 0 EHAERN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000246390911 1028314716 /nfs/dbraw/zinc/31/47/16/1028314716.db2.gz IUJUTMKXTGSCOS-ALKREAHSSA-N 0 0 335.403 3.693 10 0 EHAERN CCOc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c(C)c1 ZINC000153604777 1028326054 /nfs/dbraw/zinc/32/60/54/1028326054.db2.gz DKLKIWJIIKUXPA-GOSISDBHSA-N 0 0 344.411 3.901 10 0 EHAERN O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCn2c3ccccc3nc21 ZINC000193804307 1028467870 /nfs/dbraw/zinc/46/78/70/1028467870.db2.gz DGZMZLROUJDVPT-APWZRJJASA-N 0 0 347.418 3.551 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000194682513 1028532816 /nfs/dbraw/zinc/53/28/16/1028532816.db2.gz ZZJBFIFGDLPQHD-GXFFZTMASA-N 0 0 331.803 3.730 10 0 EHAERN O=C(c1ccc2c(n1)CCCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000333600258 1028537063 /nfs/dbraw/zinc/53/70/63/1028537063.db2.gz YKPYRMDFKXAEDK-IBGZPJMESA-N 0 0 346.434 3.814 10 0 EHAERN C[C@@H]1CN(CCC(=O)N(C)c2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000246552559 1028655611 /nfs/dbraw/zinc/65/56/11/1028655611.db2.gz KMWIRPXUJISHBH-QAPCUYQASA-N 0 0 344.480 3.563 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2ccc(SC(F)F)cc2)[C@@H]2CCO[C@H]21 ZINC000246712356 1028680460 /nfs/dbraw/zinc/68/04/60/1028680460.db2.gz CRSNLYIBJYICEU-YNEHKIRRSA-N 0 0 342.411 3.936 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CSCCS2)C1 ZINC000247224105 1028758240 /nfs/dbraw/zinc/75/82/40/1028758240.db2.gz RLSPNMDQNGIAMM-KCPJHIHWSA-N 0 0 325.474 3.584 10 0 EHAERN CC(C)Cn1ncc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1C1CC1 ZINC000245514833 1028760090 /nfs/dbraw/zinc/76/00/90/1028760090.db2.gz GKAQRRRXSUITDY-QWFCFKBJSA-N 0 0 349.478 3.732 10 0 EHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247286642 1028770300 /nfs/dbraw/zinc/77/03/00/1028770300.db2.gz HGHVVWIWRMCJLW-LZWOXQAQSA-N 0 0 341.411 3.784 10 0 EHAERN CCCc1nc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000247324851 1028776922 /nfs/dbraw/zinc/77/69/22/1028776922.db2.gz XVQSNVSVNWSILP-LSDHHAIUSA-N 0 0 349.500 3.952 10 0 EHAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247453035 1028791220 /nfs/dbraw/zinc/79/12/20/1028791220.db2.gz PAHHCYJMANLBIL-MJBXVCDLSA-N 0 0 342.892 3.891 10 0 EHAERN O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247671725 1028809701 /nfs/dbraw/zinc/80/97/01/1028809701.db2.gz YQWVVYFFXNBDLH-NWANDNLSSA-N 0 0 328.239 3.610 10 0 EHAERN O=C(CCCOc1ccccc1Cl)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247677629 1028809958 /nfs/dbraw/zinc/80/99/58/1028809958.db2.gz ZHRSNYUUDDHFCC-IMJJTQAJSA-N 0 0 337.847 3.573 10 0 EHAERN CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1nc(C(F)(F)F)cs1 ZINC000248541572 1028885826 /nfs/dbraw/zinc/88/58/26/1028885826.db2.gz BRCWILLOPDGWAT-SGMGOOAPSA-N 0 0 342.386 3.861 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)CC2)cn1 ZINC000246757310 1028981126 /nfs/dbraw/zinc/98/11/26/1028981126.db2.gz AFBYJULNKAKBPB-HWWDLCQESA-N 0 0 332.492 3.617 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000249054364 1028981517 /nfs/dbraw/zinc/98/15/17/1028981517.db2.gz XGVRFASMMMBZQG-RFUYNDQBSA-N 0 0 346.446 3.562 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]2CCCC[C@@H]12 ZINC000248446697 1029131393 /nfs/dbraw/zinc/13/13/93/1029131393.db2.gz WTYHRUVHXMEVGS-BVGQSLNGSA-N 0 0 341.455 3.621 10 0 EHAERN O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000252663030 1029220780 /nfs/dbraw/zinc/22/07/80/1029220780.db2.gz FNRUVCAFRDCURZ-ZKYQVNSYSA-N 0 0 346.324 3.924 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CSc3ccncc3)C2)cc1 ZINC000078188377 1029239868 /nfs/dbraw/zinc/23/98/68/1029239868.db2.gz ASRMGGRLABDHJB-GOEBONIOSA-N 0 0 342.464 3.587 10 0 EHAERN CCc1nc(CC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)cs1 ZINC000078188277 1029240356 /nfs/dbraw/zinc/24/03/56/1029240356.db2.gz IXDQNZNJEIMHKE-HIFRSBDPSA-N 0 0 344.480 3.661 10 0 EHAERN C[C@]1(C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1(Cl)Cl ZINC000078349614 1029275131 /nfs/dbraw/zinc/27/51/31/1029275131.db2.gz NKBZTURUSRAZSH-GDBMZVCRSA-N 0 0 335.234 3.871 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245987319 1029548098 /nfs/dbraw/zinc/54/80/98/1029548098.db2.gz KJTUWYGJEROAKF-JENIJYKNSA-N 0 0 349.519 3.689 10 0 EHAERN CCOc1c(F)cccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000079898862 1029762992 /nfs/dbraw/zinc/76/29/92/1029762992.db2.gz YNICNVKSMVFZNN-UHFFFAOYSA-N 0 0 327.315 3.527 10 0 EHAERN CC1(CS(=O)(=O)N2CCCC[C@@H]2c2nccs2)CCCCC1 ZINC000408318269 1029784344 /nfs/dbraw/zinc/78/43/44/1029784344.db2.gz ZCQGIACTLYVLIS-CQSZACIVSA-N 0 0 342.530 3.970 10 0 EHAERN CCOc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114810774 1029837081 /nfs/dbraw/zinc/83/70/81/1029837081.db2.gz GFOPOWRKJUJXDB-ZDUSSCGKSA-N 0 0 331.441 3.953 10 0 EHAERN Cc1csc(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000156658514 1029922434 /nfs/dbraw/zinc/92/24/34/1029922434.db2.gz DCOKVATVBHRHSV-MRXNPFEDSA-N 0 0 338.423 3.643 10 0 EHAERN C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1ncccc1Cl ZINC000156801933 1030045587 /nfs/dbraw/zinc/04/55/87/1030045587.db2.gz UFQHRLIXIYXQBY-NSHDSACASA-N 0 0 348.811 3.925 10 0 EHAERN COc1ccccc1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000090202462 1030089691 /nfs/dbraw/zinc/08/96/91/1030089691.db2.gz PSKDUGLWBIPLRA-INIZCTEOSA-N 0 0 329.787 3.611 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(OC)c3F)C2)cc1 ZINC000090420175 1030112249 /nfs/dbraw/zinc/11/22/49/1030112249.db2.gz ANAZKFQZZDBZCK-UKRRQHHQSA-N 0 0 343.398 3.861 10 0 EHAERN c1csc(Cn2cccc2CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831275 1030527595 /nfs/dbraw/zinc/52/75/95/1030527595.db2.gz QIYLJJQIZRYFOA-MRXNPFEDSA-N 0 0 345.493 3.628 10 0 EHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)Nc1cccc(F)c1 ZINC000157429217 1030530060 /nfs/dbraw/zinc/53/00/60/1030530060.db2.gz YZVVOIJNZGPAPP-UHFFFAOYSA-N 0 0 349.365 3.773 10 0 EHAERN O=C(CCc1cc(F)ccc1F)Nc1cccc(-c2ncon2)c1 ZINC000170632136 1030689279 /nfs/dbraw/zinc/68/92/79/1030689279.db2.gz ODSMBAGDNNXURA-UHFFFAOYSA-N 0 0 329.306 3.586 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000170632169 1030690425 /nfs/dbraw/zinc/69/04/25/1030690425.db2.gz MEAIXEUUVFRPMC-MSOLQXFVSA-N 0 0 349.390 3.843 10 0 EHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCc2cc(Cl)ccc2C1 ZINC000588582368 1030703508 /nfs/dbraw/zinc/70/35/08/1030703508.db2.gz ALVSASJGBKVVPU-FPLPWBNLSA-N 0 0 349.821 3.881 10 0 EHAERN CCOc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000171643553 1030769210 /nfs/dbraw/zinc/76/92/10/1030769210.db2.gz RXTDGJZBWWRIHP-AWEZNQCLSA-N 0 0 346.452 3.570 10 0 EHAERN COc1ccc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000171643924 1030770498 /nfs/dbraw/zinc/77/04/98/1030770498.db2.gz LOWIDJPHJZAKNY-CQSZACIVSA-N 0 0 348.443 3.630 10 0 EHAERN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000171644865 1030771028 /nfs/dbraw/zinc/77/10/28/1030771028.db2.gz AKQCNRMFNCSHIQ-SECBINFHSA-N 0 0 342.251 3.865 10 0 EHAERN Cc1ccc(OCC(=O)N2CCC[C@H](c3nccs3)C2)cc1C ZINC000171646511 1030772102 /nfs/dbraw/zinc/77/21/02/1030772102.db2.gz GRKFSFIOIHJUOQ-HNNXBMFYSA-N 0 0 330.453 3.545 10 0 EHAERN C[C@]1(C(=O)N[C@H](c2nccs2)c2ccccc2)CC1(Cl)Cl ZINC000171496723 1030786390 /nfs/dbraw/zinc/78/63/90/1030786390.db2.gz HBXLAJKPVMOFPZ-SMDDNHRTSA-N 0 0 341.263 3.933 10 0 EHAERN O=C(NCc1cc(F)cc(F)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171900144 1030803067 /nfs/dbraw/zinc/80/30/67/1030803067.db2.gz MYILVERBFGWIRS-UHFFFAOYSA-N 0 0 345.393 3.524 10 0 EHAERN Cc1nc2ccccc2n1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000172092984 1030831023 /nfs/dbraw/zinc/83/10/23/1030831023.db2.gz HLHXZZGMIABGRV-UHFFFAOYSA-N 0 0 337.448 3.722 10 0 EHAERN CC[C@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000172570606 1030970964 /nfs/dbraw/zinc/97/09/64/1030970964.db2.gz IIEVFVSFMCRJRE-HOCLYGCPSA-N 0 0 348.512 3.685 10 0 EHAERN CCCCCC[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000173003336 1031042973 /nfs/dbraw/zinc/04/29/73/1031042973.db2.gz WRTFMQXTTDEVQW-AWEZNQCLSA-N 0 0 349.475 3.767 10 0 EHAERN CC(C)Cn1ccnc1CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000173452583 1031089564 /nfs/dbraw/zinc/08/95/64/1031089564.db2.gz BAKPIHYZXOXAQT-UHFFFAOYSA-N 0 0 344.484 3.600 10 0 EHAERN CCC[C@](C)(NCc1ncc(-c2ccccc2Cl)o1)C(=O)OC ZINC000173766873 1031140535 /nfs/dbraw/zinc/14/05/35/1031140535.db2.gz AMFTYABIUHMFJO-KRWDZBQOSA-N 0 0 336.819 3.816 10 0 EHAERN Cc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)ccc1F ZINC000174072986 1031163885 /nfs/dbraw/zinc/16/38/85/1031163885.db2.gz ARYXYKWZWKYXMA-UHFFFAOYSA-N 0 0 330.378 3.990 10 0 EHAERN CN1CCC(=O)Nc2cc(C(=O)Nc3cc(F)ccc3Cl)ccc21 ZINC000174576574 1031233387 /nfs/dbraw/zinc/23/33/87/1031233387.db2.gz KNPDYCNFDRTXAF-UHFFFAOYSA-N 0 0 347.777 3.510 10 0 EHAERN COC[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccc(C)o1 ZINC000175688678 1031329342 /nfs/dbraw/zinc/32/93/42/1031329342.db2.gz YRWFKNKNXNMWNH-HNNXBMFYSA-N 0 0 346.452 3.836 10 0 EHAERN CCCO[C@@H]1CCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)CC1 ZINC000176322001 1031425880 /nfs/dbraw/zinc/42/58/80/1031425880.db2.gz CFIKRDFJEGAXJQ-MRXNPFEDSA-N 0 0 343.471 3.612 10 0 EHAERN CCC[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000176744727 1031456397 /nfs/dbraw/zinc/45/63/97/1031456397.db2.gz BNLBZNQFSQCHLA-HNNXBMFYSA-N 0 0 348.512 3.639 10 0 EHAERN COc1ccc([C@@H](NC(=O)C(C)=C2CCCC2)c2nccn2C)cc1 ZINC000176522766 1031456719 /nfs/dbraw/zinc/45/67/19/1031456719.db2.gz KHQGHOYEZWADJC-GOSISDBHSA-N 0 0 339.439 3.525 10 0 EHAERN CC(C)(C)[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1cccs1 ZINC000177423490 1031538900 /nfs/dbraw/zinc/53/89/00/1031538900.db2.gz XIOVSEOJFHGAQS-ZBFHGGJFSA-N 0 0 346.500 3.906 10 0 EHAERN Cc1cc(C)c(NC(=O)c2cccc(N3CCNC3=O)c2C)c(C)c1 ZINC000177728505 1031561712 /nfs/dbraw/zinc/56/17/12/1031561712.db2.gz OOGGCHAOSQISJY-UHFFFAOYSA-N 0 0 337.423 3.702 10 0 EHAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc(F)c(Cl)cc1Cl ZINC000178301789 1031651186 /nfs/dbraw/zinc/65/11/86/1031651186.db2.gz YNKVFGXKOVFOON-CABCVRRESA-N 0 0 340.181 3.521 10 0 EHAERN CCc1nc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)sc1C ZINC000179409988 1031748371 /nfs/dbraw/zinc/74/83/71/1031748371.db2.gz JDLABUVSCIGCNB-AWEZNQCLSA-N 0 0 335.429 3.521 10 0 EHAERN CC(C)CCOC1CCN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000117614345 1031780575 /nfs/dbraw/zinc/78/05/75/1031780575.db2.gz LQILHAOUWFVEPS-KXBFYZLASA-N 0 0 331.456 3.605 10 0 EHAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)o1 ZINC000158985321 1031788823 /nfs/dbraw/zinc/78/88/23/1031788823.db2.gz IMAUESZRPVZDFK-APWZRJJASA-N 0 0 342.439 3.605 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000179627043 1031792608 /nfs/dbraw/zinc/79/26/08/1031792608.db2.gz HOCLDJFYABLRKN-IRXDYDNUSA-N 0 0 345.826 3.794 10 0 EHAERN O=C(c1cc(-c2cccnc2)on1)N1CC=C(c2cccs2)CC1 ZINC000117722820 1031842481 /nfs/dbraw/zinc/84/24/81/1031842481.db2.gz KNHWAAGXDIKGHG-UHFFFAOYSA-N 0 0 337.404 3.728 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3nc(C(F)(F)F)cs3)CCO2)o1 ZINC000159141460 1031894040 /nfs/dbraw/zinc/89/40/40/1031894040.db2.gz WNOZZQCCUDFHPO-NSHDSACASA-N 0 0 332.347 3.637 10 0 EHAERN Cn1ncnc1-c1ccc(OC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000588589095 1031894586 /nfs/dbraw/zinc/89/45/86/1031894586.db2.gz OYWJWUVSIGSKBL-HYXAFXHYSA-N 0 0 337.354 3.630 10 0 EHAERN CCC(CC)n1nc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1C ZINC000180781296 1031910173 /nfs/dbraw/zinc/91/01/73/1031910173.db2.gz NUDQORADVVAMQO-GOSISDBHSA-N 0 0 345.443 3.668 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc1 ZINC000180850226 1031912072 /nfs/dbraw/zinc/91/20/72/1031912072.db2.gz LLXBMKWLMDKYQX-UHFFFAOYSA-N 0 0 348.805 3.866 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(Br)c(C)c1 ZINC000180934056 1031923067 /nfs/dbraw/zinc/92/30/67/1031923067.db2.gz FHSYFQMPYJDFOY-ABAIWWIYSA-N 0 0 349.276 3.843 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cnn(CC(C)C)c3)C2)cc1 ZINC000181037495 1031941746 /nfs/dbraw/zinc/94/17/46/1031941746.db2.gz CHXXOQCPCUOIMP-DOTOQJQBSA-N 0 0 341.455 3.566 10 0 EHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCC1(C)OCCCO1 ZINC000588589693 1031958953 /nfs/dbraw/zinc/95/89/53/1031958953.db2.gz FLDFWSJAASEUTN-LUAWRHEFSA-N 0 0 344.238 3.666 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1 ZINC000181562228 1032004987 /nfs/dbraw/zinc/00/49/87/1032004987.db2.gz BXOXPQRBWWMPGO-UHFFFAOYSA-N 0 0 335.407 3.555 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@@H]1c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000329738338 1032037022 /nfs/dbraw/zinc/03/70/22/1032037022.db2.gz UFWFQQMLUDFJDD-PCBIJLKTSA-N 0 0 345.830 3.530 10 0 EHAERN Cc1cc(C)c(C(=O)Nc2cccc(-c3ncon3)c2)c(Cl)n1 ZINC000181899279 1032043134 /nfs/dbraw/zinc/04/31/34/1032043134.db2.gz CAAIFCGRKKFADE-UHFFFAOYSA-N 0 0 328.759 3.654 10 0 EHAERN CC(C)Oc1ccccc1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101524851 1033733202 /nfs/dbraw/zinc/73/32/02/1033733202.db2.gz CNOWAFCGNJPGMM-UHFFFAOYSA-N 0 0 337.379 3.705 10 0 EHAERN CCc1noc(CC)c1CC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000087253413 1034123898 /nfs/dbraw/zinc/12/38/98/1034123898.db2.gz NZBRFOXWHPFVAK-UHFFFAOYSA-N 0 0 347.484 3.513 10 0 EHAERN Cc1cc(C)c(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c(Cl)n1 ZINC000186428021 1035632610 /nfs/dbraw/zinc/63/26/10/1035632610.db2.gz COIQCQBWAWCTOC-LJQANCHMSA-N 0 0 342.826 3.623 10 0 EHAERN COc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1OC ZINC000186525813 1035654612 /nfs/dbraw/zinc/65/46/12/1035654612.db2.gz MVGXMUSXCDAOBH-LBPRGKRZSA-N 0 0 341.411 3.854 10 0 EHAERN O=C(NCCC[C@H]1CCCCO1)N1CC=C(c2ccccc2)CC1 ZINC000186584761 1035662635 /nfs/dbraw/zinc/66/26/35/1035662635.db2.gz WNUUBEOEPLMRMY-LJQANCHMSA-N 0 0 328.456 3.835 10 0 EHAERN CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186695604 1035688135 /nfs/dbraw/zinc/68/81/35/1035688135.db2.gz WQMVGHGGJPZEIT-ZDUSSCGKSA-N 0 0 330.432 3.708 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)c2ncncc2Cl)cs1 ZINC000186877937 1035733796 /nfs/dbraw/zinc/73/37/96/1035733796.db2.gz UOXCEBSWCGPHJH-UHFFFAOYSA-N 0 0 330.800 3.814 10 0 EHAERN Cc1cc(N2CCN(C(=O)Nc3c(C)cccc3C(C)C)CC2)n[nH]1 ZINC000187431981 1035821383 /nfs/dbraw/zinc/82/13/83/1035821383.db2.gz WYHHCUYLPMXSQX-UHFFFAOYSA-N 0 0 341.459 3.504 10 0 EHAERN Cc1nn(C)cc1NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000187762493 1035856467 /nfs/dbraw/zinc/85/64/67/1035856467.db2.gz SPPYGWDCWSDQPP-UHFFFAOYSA-N 0 0 336.842 3.598 10 0 EHAERN CSc1cccc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188311987 1035910026 /nfs/dbraw/zinc/91/00/26/1035910026.db2.gz MCLIHZSHPBWOTE-UHFFFAOYSA-N 0 0 348.497 3.973 10 0 EHAERN Cc1cccc(C)c1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188375070 1035918124 /nfs/dbraw/zinc/91/81/24/1035918124.db2.gz FQBMZIDBELEFKW-UHFFFAOYSA-N 0 0 330.457 3.868 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)o1 ZINC000188598958 1035930506 /nfs/dbraw/zinc/93/05/06/1035930506.db2.gz QWIVPXMQGYLMTG-BVOVVCLWSA-N 0 0 332.444 3.638 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N1CCC(OCC(C)C)CC1 ZINC000188558208 1035947285 /nfs/dbraw/zinc/94/72/85/1035947285.db2.gz ZJYZGKUMAUBOLK-SFHVURJKSA-N 0 0 346.471 3.665 10 0 EHAERN COc1ccc(NC(=O)N[C@H]2CCOc3c(C)cccc32)cc1OC ZINC000188604469 1035963432 /nfs/dbraw/zinc/96/34/32/1035963432.db2.gz YUZFIONDCSXZFO-HNNXBMFYSA-N 0 0 342.395 3.658 10 0 EHAERN Cc1coc(-c2ccc(C)c(NC(=O)c3ccc4c(c3)NC(=O)C4)c2)n1 ZINC000188660361 1035969863 /nfs/dbraw/zinc/96/98/63/1035969863.db2.gz YWUQXDFDBBSCNK-UHFFFAOYSA-N 0 0 347.374 3.705 10 0 EHAERN COCc1cccc(CC(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000188996111 1036000984 /nfs/dbraw/zinc/00/09/84/1036000984.db2.gz HWSYYPSXZSXGTI-UHFFFAOYSA-N 0 0 344.480 3.547 10 0 EHAERN Cc1cc(C)cc(C2=CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)c1 ZINC000189088113 1036014739 /nfs/dbraw/zinc/01/47/39/1036014739.db2.gz PAUYWSGZMZGMIY-UHFFFAOYSA-N 0 0 346.430 3.728 10 0 EHAERN O=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](c2nccs2)C1 ZINC000189386965 1036061635 /nfs/dbraw/zinc/06/16/35/1036061635.db2.gz MAXSVJOJRSWBJA-QMMMGPOBSA-N 0 0 347.387 3.638 10 0 EHAERN O=C(c1nccc2ccccc21)N1CC2(CCOCC2)c2ccccc21 ZINC000189816342 1036150751 /nfs/dbraw/zinc/15/07/51/1036150751.db2.gz HXPYWZWRIDSXSO-UHFFFAOYSA-N 0 0 344.414 3.943 10 0 EHAERN COCc1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189826997 1036152663 /nfs/dbraw/zinc/15/26/63/1036152663.db2.gz KNYMCMFSFXAWIW-UHFFFAOYSA-N 0 0 337.419 3.542 10 0 EHAERN CCCCCC[C@H](C)NC(=O)N1CCOC[C@H]1c1nc(C)cs1 ZINC000189959592 1036166927 /nfs/dbraw/zinc/16/69/27/1036166927.db2.gz WVLMDCDFZMJONK-ZFWWWQNUSA-N 0 0 339.505 3.893 10 0 EHAERN Clc1nc2ccccn2c1CN1CCC(Nc2nccs2)CC1 ZINC000189955928 1036167475 /nfs/dbraw/zinc/16/74/75/1036167475.db2.gz BYNRGKFTCZHNIK-UHFFFAOYSA-N 0 0 347.875 3.521 10 0 EHAERN COCCC[C@@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190263196 1036213054 /nfs/dbraw/zinc/21/30/54/1036213054.db2.gz YAVFFDRSZTZWOA-KGLIPLIRSA-N 0 0 325.399 3.734 10 0 EHAERN Cc1c(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cnn1C(C)(C)C ZINC000190366179 1036229362 /nfs/dbraw/zinc/22/93/62/1036229362.db2.gz NBAZVLZQXGWLPU-JSGCOSHPSA-N 0 0 332.448 3.915 10 0 EHAERN CCCC(=O)NCC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000102650950 1036237049 /nfs/dbraw/zinc/23/70/49/1036237049.db2.gz OCSWCFDFZYQHRY-UHFFFAOYSA-N 0 0 344.842 3.540 10 0 EHAERN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190446744 1036240757 /nfs/dbraw/zinc/24/07/57/1036240757.db2.gz PDGTVAWNXIMGGP-KBPBESRZSA-N 0 0 347.509 3.720 10 0 EHAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191208745 1036347616 /nfs/dbraw/zinc/34/76/16/1036347616.db2.gz NJVNPORFMPCTRB-TZMCWYRMSA-N 0 0 345.393 3.514 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191211153 1036351135 /nfs/dbraw/zinc/35/11/35/1036351135.db2.gz XZUCFIHVTLFCBM-BXUZGUMPSA-N 0 0 347.409 3.814 10 0 EHAERN Cc1cc(Br)c(NC(=O)N[C@H]2CCO[C@@H]2C)cc1Cl ZINC000162501630 1036654704 /nfs/dbraw/zinc/65/47/04/1036654704.db2.gz UUWLZWMHBCVJDO-KCJUWKMLSA-N 0 0 347.640 3.710 10 0 EHAERN Cc1cc(Br)c(NC(=O)N[C@@H]2CCO[C@H]2C)cc1Cl ZINC000162501768 1036655262 /nfs/dbraw/zinc/65/52/62/1036655262.db2.gz UUWLZWMHBCVJDO-GZMMTYOYSA-N 0 0 347.640 3.710 10 0 EHAERN C[C@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000102848726 1036777430 /nfs/dbraw/zinc/77/74/30/1036777430.db2.gz KFLGEFDNSYTVDK-LBPRGKRZSA-N 0 0 330.815 3.533 10 0 EHAERN CCC1CCC(CNC(=O)N2CCC(c3cnn(C)c3)CC2)CC1 ZINC000157854996 1036891173 /nfs/dbraw/zinc/89/11/73/1036891173.db2.gz ARIUDNMRQYTSDH-UHFFFAOYSA-N 0 0 332.492 3.526 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000105022288 1037140279 /nfs/dbraw/zinc/14/02/79/1037140279.db2.gz JQHNKWLOGFDAFC-UHFFFAOYSA-N 0 0 341.459 3.656 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C[C@@H](C)C1 ZINC000157948031 1037238655 /nfs/dbraw/zinc/23/86/55/1037238655.db2.gz XTXDGLBBXXVRDZ-CVEARBPZSA-N 0 0 343.471 3.823 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C[C@H](C)C1 ZINC000157947897 1037238730 /nfs/dbraw/zinc/23/87/30/1037238730.db2.gz XTXDGLBBXXVRDZ-JKSUJKDBSA-N 0 0 343.471 3.823 10 0 EHAERN COc1ccsc1C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000105959367 1037265209 /nfs/dbraw/zinc/26/52/09/1037265209.db2.gz TURYGKIPZPLOBA-UHFFFAOYSA-N 0 0 340.408 3.672 10 0 EHAERN CC(C)(CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)Cc1ccccc1 ZINC000126564359 1037369587 /nfs/dbraw/zinc/36/95/87/1037369587.db2.gz YGTZJKNSFJTTDE-NQIIRXRSSA-N 0 0 344.499 3.592 10 0 EHAERN CN(C)C(=O)c1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000102849247 1037584658 /nfs/dbraw/zinc/58/46/58/1037584658.db2.gz QIZFLKLKHPMBMS-LJQANCHMSA-N 0 0 348.402 3.501 10 0 EHAERN O=C(NCCOc1ccccc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103176572 1037589703 /nfs/dbraw/zinc/58/97/03/1037589703.db2.gz YIYXYASUPHTILB-FQEVSTJZSA-N 0 0 347.418 3.549 10 0 EHAERN CC(C)[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(F)cc1F ZINC000366333581 1037798153 /nfs/dbraw/zinc/79/81/53/1037798153.db2.gz YKKNNCFEDCGEIN-SJLPKXTDSA-N 0 0 340.414 3.608 10 0 EHAERN CCOc1cc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)ccc1OC ZINC000117616911 1037858871 /nfs/dbraw/zinc/85/88/71/1037858871.db2.gz XUIULIVWWLXAQS-SGTLLEGYSA-N 0 0 327.380 3.597 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000117752560 1037859996 /nfs/dbraw/zinc/85/99/96/1037859996.db2.gz WFKORXWPHMTVOS-LIRRHRJNSA-N 0 0 337.375 3.966 10 0 EHAERN Cc1nn(C)c2sc(C(=O)N3CC=C(c4cccs4)CC3)cc12 ZINC000117724324 1037860483 /nfs/dbraw/zinc/86/04/83/1037860483.db2.gz HZDJGSYDICHUOA-UHFFFAOYSA-N 0 0 343.477 3.934 10 0 EHAERN C[C@H](NC(=O)CN1CC=C(c2cccs2)CC1)c1cccs1 ZINC000117896778 1037864840 /nfs/dbraw/zinc/86/48/40/1037864840.db2.gz PHFVDGVCCJGLIS-ZDUSSCGKSA-N 0 0 332.494 3.776 10 0 EHAERN CCNc1ncc(C(=O)N2CC=C(c3ccccc3F)CC2)s1 ZINC000119099385 1037881513 /nfs/dbraw/zinc/88/15/13/1037881513.db2.gz LUKNKKULTJGIEZ-UHFFFAOYSA-N 0 0 331.416 3.644 10 0 EHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000119344331 1037899507 /nfs/dbraw/zinc/89/95/07/1037899507.db2.gz ZJGQFXIBXJTLNI-VIFPVBQESA-N 0 0 341.358 3.972 10 0 EHAERN C[C@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@H]1C ZINC000408068990 1038626247 /nfs/dbraw/zinc/62/62/47/1038626247.db2.gz KBXKQGMGQUZTCJ-GJZGRUSLSA-N 0 0 329.444 3.575 10 0 EHAERN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2c2csc(C)n2)n1 ZINC000330211589 1038739863 /nfs/dbraw/zinc/73/98/63/1038739863.db2.gz JITDBWRUHRUNDB-CJNGLKHVSA-N 0 0 332.473 3.580 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1Cl ZINC000156484378 1038953427 /nfs/dbraw/zinc/95/34/27/1038953427.db2.gz SXNSTDPYISGLHS-PMUMKWKESA-N 0 0 336.863 3.738 10 0 EHAERN CS(=O)(=O)c1ccsc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245883943 1039210046 /nfs/dbraw/zinc/21/00/46/1039210046.db2.gz IJHMEMKECRTKDT-RWMBFGLXSA-N 0 0 341.498 3.697 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cn1 ZINC000155079591 1040047917 /nfs/dbraw/zinc/04/79/17/1040047917.db2.gz PIOPBEYGESIWCI-RVKKMQEKSA-N 0 0 332.492 3.617 10 0 EHAERN Cc1ccccc1C(C)(C)CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119397062 1040074962 /nfs/dbraw/zinc/07/49/62/1040074962.db2.gz QLMHANCHUQCUIL-DYESRHJHSA-N 0 0 344.499 3.609 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000408442115 1040756777 /nfs/dbraw/zinc/75/67/77/1040756777.db2.gz IYBBTRBVPWZDSK-UHFFFAOYSA-N 0 0 329.444 3.857 10 0 EHAERN Cc1ccc(C(C)(C)CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000120523895 1040847174 /nfs/dbraw/zinc/84/71/74/1040847174.db2.gz ZKIVRJCOXXEPLS-GHTZIAJQSA-N 0 0 344.499 3.609 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000408445266 1040855246 /nfs/dbraw/zinc/85/52/46/1040855246.db2.gz ZYTRJHIQSMATKT-KRWDZBQOSA-N 0 0 332.444 3.898 10 0 EHAERN CC[C@]1(C)CN([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCO1 ZINC000253586889 1040947571 /nfs/dbraw/zinc/94/75/71/1040947571.db2.gz BHPFMCJERSDXBQ-PIGZYNQJSA-N 0 0 335.473 3.576 10 0 EHAERN CC(C)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)nn1C(C)(C)C ZINC000121012340 1041400971 /nfs/dbraw/zinc/40/09/71/1041400971.db2.gz ZLQKLPWBKWHZIM-FOIQADDNSA-N 0 0 347.503 3.529 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(C)o1 ZINC000408147357 1041800537 /nfs/dbraw/zinc/80/05/37/1041800537.db2.gz DEVQNKULGUYODU-PLYYQAHHSA-N 0 0 334.460 3.683 10 0 EHAERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000408180130 1042158592 /nfs/dbraw/zinc/15/85/92/1042158592.db2.gz MVOQOQKZKBVIEJ-JKSUJKDBSA-N 0 0 326.396 3.877 10 0 EHAERN Cc1nc(-c2ccccn2)nc(N2CCC3(CCOCC3)[C@@H]2C)c1C ZINC000408200106 1042473084 /nfs/dbraw/zinc/47/30/84/1042473084.db2.gz ZNQWHEFQDFFOJN-INIZCTEOSA-N 0 0 338.455 3.551 10 0 EHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330290534 1042831544 /nfs/dbraw/zinc/83/15/44/1042831544.db2.gz CJSJEBRJCCEOQJ-RDTXWAMCSA-N 0 0 338.455 3.904 10 0 EHAERN Cc1ccc(-c2noc(CCC(=O)N3CC[C@H]4CCC[C@@H]43)n2)cc1F ZINC000330290861 1042833840 /nfs/dbraw/zinc/83/38/40/1042833840.db2.gz COELDUPPPTZFEY-CJNGLKHVSA-N 0 0 343.402 3.518 10 0 EHAERN Cc1nc(C(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1ccccc1C(C)C ZINC000330332854 1042910173 /nfs/dbraw/zinc/91/01/73/1042910173.db2.gz YEKJGWVDHBISNF-NVXWUHKLSA-N 0 0 338.455 3.714 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cn1 ZINC000247384629 1042930745 /nfs/dbraw/zinc/93/07/45/1042930745.db2.gz PIOPBEYGESIWCI-IIDMSEBBSA-N 0 0 332.492 3.617 10 0 EHAERN CC1(CS(=O)(=O)N2CCCC[C@H]2c2nccs2)CCCCC1 ZINC000408318265 1043105623 /nfs/dbraw/zinc/10/56/23/1043105623.db2.gz ZCQGIACTLYVLIS-AWEZNQCLSA-N 0 0 342.530 3.970 10 0 EHAERN Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000267097063 1127219887 /nfs/dbraw/zinc/21/98/87/1127219887.db2.gz VVWSSLYAOYLLLP-AWEZNQCLSA-N 0 0 340.445 3.507 10 0 EHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000184484558 1132409934 /nfs/dbraw/zinc/40/99/34/1132409934.db2.gz ZCVQARSOOWIURU-UONOGXRCSA-N 0 0 331.441 3.544 10 0 EHAERN CC[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000103378919 1132852039 /nfs/dbraw/zinc/85/20/39/1132852039.db2.gz OIOBKUGBERJEGW-OAHLLOKOSA-N 0 0 325.408 3.878 10 0 EHAERN Cc1ccc([C@H](C)N(C)C(=O)NCCCNC(=O)OC(C)(C)C)cc1 ZINC000103517651 1134723519 /nfs/dbraw/zinc/72/35/19/1134723519.db2.gz AQOXJVYWWHHUAL-HNNXBMFYSA-N 0 0 349.475 3.612 10 0 EHAERN CC(=O)c1cc(C(=O)OCCc2ccccc2C(F)(F)F)n(C)c1 ZINC000105776584 1135976385 /nfs/dbraw/zinc/97/63/85/1135976385.db2.gz JCHJDKWDKQYZPS-UHFFFAOYSA-N 0 0 339.313 3.646 10 0 EHAERN CC(C)[C@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccccc1 ZINC000103075832 1137875126 /nfs/dbraw/zinc/87/51/26/1137875126.db2.gz UFPQFOLZDPCWHP-IBGZPJMESA-N 0 0 348.450 3.713 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000105012206 1137879896 /nfs/dbraw/zinc/87/98/96/1137879896.db2.gz LNSGQAGUFULDOU-UHFFFAOYSA-N 0 0 347.488 3.717 10 0 EHAERN CN(C)[C@@H](CNC(=O)N(Cc1ccco1)C1CCCC1)c1ccco1 ZINC000105077586 1137880164 /nfs/dbraw/zinc/88/01/64/1137880164.db2.gz FFEQHMJAEYAOGR-KRWDZBQOSA-N 0 0 345.443 3.630 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@H]1CCCc2occc21 ZINC000105142487 1137880313 /nfs/dbraw/zinc/88/03/13/1137880313.db2.gz HIFKBZUUAOTMRW-KRWDZBQOSA-N 0 0 327.428 3.716 10 0 EHAERN CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)s1 ZINC000333230896 1137958881 /nfs/dbraw/zinc/95/88/81/1137958881.db2.gz YGHGXWAUYBGPKA-RFQIPJPRSA-N 0 0 342.530 3.525 10 0 EHAERN COc1cc(Cl)c(C)cc1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000333765772 1138330184 /nfs/dbraw/zinc/33/01/84/1138330184.db2.gz DJLCFUPGWLGFEN-LBPRGKRZSA-N 0 0 338.835 3.568 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(O)c2)cs1 ZINC000187089878 1140237397 /nfs/dbraw/zinc/23/73/97/1140237397.db2.gz ZJFLNKHHFZIMEW-ZBEGNZNMSA-N 0 0 331.441 3.765 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2Cl)cs1 ZINC000187128025 1140241001 /nfs/dbraw/zinc/24/10/01/1140241001.db2.gz WTZXDZGJZVFGRE-AWEZNQCLSA-N 0 0 336.844 3.847 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(C)cc2C)cs1 ZINC000189752150 1140362515 /nfs/dbraw/zinc/36/25/15/1140362515.db2.gz RYXBBUMISRGVOO-KRWDZBQOSA-N 0 0 329.469 3.844 10 0 EHAERN COc1cc(OC)c(OC)cc1CN1CCC[C@H]1c1csc(C)n1 ZINC000189940587 1140374163 /nfs/dbraw/zinc/37/41/63/1140374163.db2.gz CFQPAFCWZZKKQD-HNNXBMFYSA-N 0 0 348.468 3.814 10 0 EHAERN COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2csc(C)n2)cc1O ZINC000190014868 1140380545 /nfs/dbraw/zinc/38/05/45/1140380545.db2.gz JBBCSXFOFAFDEP-VFADXPBXSA-N 0 0 344.436 3.543 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cccc(Cl)c2Cl)C1 ZINC000190152741 1140389290 /nfs/dbraw/zinc/38/92/90/1140389290.db2.gz VNACBZUJUWHNAN-WCQYABFASA-N 0 0 342.226 3.647 10 0 EHAERN Nc1ccc(C(=O)Nc2cc(Br)ccc2F)cc1F ZINC000054405481 214237698 /nfs/dbraw/zinc/23/76/98/214237698.db2.gz RHSGULIZTRYUAI-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN NC(=O)c1ccccc1CNc1cc(Br)ccc1Cl ZINC000061691424 214671830 /nfs/dbraw/zinc/67/18/30/214671830.db2.gz CDLSYOCRWAATAO-UHFFFAOYSA-N 0 0 339.620 3.814 10 0 EHAERN CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(Br)cc1N ZINC000037205679 201902158 /nfs/dbraw/zinc/90/21/58/201902158.db2.gz MAMVBVRZSPKELD-SECBINFHSA-N 0 0 345.306 3.817 10 0 EHAERN Clc1ccc(-c2noc3c2CN(Cc2cccnc2)CC3)cc1 ZINC000019865787 202024112 /nfs/dbraw/zinc/02/41/12/202024112.db2.gz SFFOIEKEINGPPL-UHFFFAOYSA-N 0 0 325.799 3.948 10 0 EHAERN S=C(Nc1cccnc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000020479431 202043659 /nfs/dbraw/zinc/04/36/59/202043659.db2.gz BACVAKGEVTZFTO-CQSZACIVSA-N 0 0 333.482 3.521 10 0 EHAERN CC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000020612719 202051181 /nfs/dbraw/zinc/05/11/81/202051181.db2.gz IQEQLSTUESDDCO-UHFFFAOYSA-N 0 0 344.499 3.708 10 0 EHAERN O=C(CC(CC(=O)c1cccnc1)c1cccnc1)c1cccnc1 ZINC000022067398 202078434 /nfs/dbraw/zinc/07/84/34/202078434.db2.gz QJZCWKXSMMCGNW-UHFFFAOYSA-N 0 0 331.375 3.501 10 0 in-vitro EHAERN Cc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000038001368 202079521 /nfs/dbraw/zinc/07/95/21/202079521.db2.gz WEKRBZAMJMPNMZ-UHFFFAOYSA-N 0 0 325.195 3.902 10 0 EHAERN Nc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1 ZINC000022145564 202079952 /nfs/dbraw/zinc/07/99/52/202079952.db2.gz NOWVEBFOJJQKFI-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN CCCCOCCCNC(=O)c1c(C)noc1-c1ccccc1OC ZINC000022338653 202084684 /nfs/dbraw/zinc/08/46/84/202084684.db2.gz XWHSXBDWOHFCEE-UHFFFAOYSA-N 0 0 346.427 3.595 10 0 EHAERN COC(=O)C[C@@H]1CCCCN1C(=O)c1c(Cl)cccc1Cl ZINC000038025951 202087470 /nfs/dbraw/zinc/08/74/70/202087470.db2.gz DVSSHJJKCHOFHM-JTQLQIEISA-N 0 0 330.211 3.551 10 0 EHAERN COC(=O)[C@](C)(NCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037973429 202070771 /nfs/dbraw/zinc/07/07/71/202070771.db2.gz DTGVBHHYQASFLH-LLVKDONJSA-N 0 0 330.133 3.534 10 0 EHAERN C[C@@H](NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000022044144 202077851 /nfs/dbraw/zinc/07/78/51/202077851.db2.gz RQBBOHCZTLJVMW-CHWSQXEVSA-N 0 0 325.437 3.921 10 0 EHAERN Cc1noc(-c2cccc(F)c2)c1C(=O)NCCc1cccs1 ZINC000022652592 202089027 /nfs/dbraw/zinc/08/90/27/202089027.db2.gz DFIDUMBZTKRDSR-UHFFFAOYSA-N 0 0 330.384 3.823 10 0 EHAERN CC(=O)Oc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000023118318 202097997 /nfs/dbraw/zinc/09/79/97/202097997.db2.gz CUCQAPPRMVIMMP-UHFFFAOYSA-N 0 0 338.388 3.988 10 0 EHAERN COC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000032296887 202222118 /nfs/dbraw/zinc/22/21/18/202222118.db2.gz QFCOXPSJQAJMPM-UHFFFAOYSA-N 0 0 331.415 3.741 10 0 EHAERN Cc1ccc(C2=N/C(=C/c3ccccc3Br)C(=O)N2)cc1 ZINC000033339077 202258868 /nfs/dbraw/zinc/25/88/68/202258868.db2.gz UVPYSBRXTYPVMV-XNTDXEJSSA-N 0 0 341.208 3.675 10 0 EHAERN Cc1c(N)cccc1COc1ccccc1I ZINC000035649504 202308684 /nfs/dbraw/zinc/30/86/84/202308684.db2.gz YKDYLUBXMDUZJL-UHFFFAOYSA-N 0 0 339.176 3.761 10 0 EHAERN CC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)C(C)C ZINC000036729508 202330359 /nfs/dbraw/zinc/33/03/59/202330359.db2.gz CSAGSTUTVJVVSY-FOIQADDNSA-N 0 0 338.451 3.692 10 0 EHAERN CC(C)c1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1 ZINC000073735264 202366085 /nfs/dbraw/zinc/36/60/85/202366085.db2.gz YJFWIXQEOHXYEH-NSHDSACASA-N 0 0 340.855 3.675 10 0 EHAERN COC(=O)[C@H](Nc1ccc(Br)cc1)C1CCCCC1 ZINC000037960445 202381467 /nfs/dbraw/zinc/38/14/67/202381467.db2.gz SZUXQUKQJQUFDV-CQSZACIVSA-N 0 0 326.234 3.983 10 0 EHAERN Clc1ccc(Oc2cccc(I)c2)nn1 ZINC000037977873 202382973 /nfs/dbraw/zinc/38/29/73/202382973.db2.gz SSQDDCFNSHRKKS-UHFFFAOYSA-N 0 0 332.528 3.527 10 0 EHAERN Nc1cc(F)c(Oc2ccccc2I)c(F)c1 ZINC000038040381 202388897 /nfs/dbraw/zinc/38/88/97/202388897.db2.gz ZEXSRVKVSIRDIR-UHFFFAOYSA-N 0 0 347.102 3.944 10 0 EHAERN CC[C@H](C)N[C@](CC)(C(=O)OC)c1ccc(Br)cc1 ZINC000038066681 202392156 /nfs/dbraw/zinc/39/21/56/202392156.db2.gz YWFLFMOEGCZBFQ-NHYWBVRUSA-N 0 0 328.250 3.616 10 0 EHAERN CC(=O)Nc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040781106 202464027 /nfs/dbraw/zinc/46/40/27/202464027.db2.gz TZKHDOQTPJULHJ-UHFFFAOYSA-N 0 0 334.383 3.504 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040782618 202464261 /nfs/dbraw/zinc/46/42/61/202464261.db2.gz GIANBGBGEKCNDX-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN Cc1cccc(Nc2ncnc(Oc3cccc4cccnc43)c2N)n1 ZINC000040685409 202458279 /nfs/dbraw/zinc/45/82/79/202458279.db2.gz HFTOSMCYWDQPND-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)cc1Cl ZINC000048648058 201110610 /nfs/dbraw/zinc/11/06/10/201110610.db2.gz VJMYLTLAMWWGCB-QGZVFWFLSA-N 0 0 342.826 3.781 10 0 EHAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)cc1Cl ZINC000048648060 201110698 /nfs/dbraw/zinc/11/06/98/201110698.db2.gz VJMYLTLAMWWGCB-KRWDZBQOSA-N 0 0 342.826 3.781 10 0 EHAERN O=C(NCc1nc2ccccc2s1)N[C@@H]1CCc2c1cccc2F ZINC000056857038 201137793 /nfs/dbraw/zinc/13/77/93/201137793.db2.gz GLKWLQCDEPKEBZ-CQSZACIVSA-N 0 0 341.411 3.922 10 0 EHAERN COCc1cc(Cl)nc(Nc2ccc(F)cc2Br)n1 ZINC000057343562 201139440 /nfs/dbraw/zinc/13/94/40/201139440.db2.gz KHNNEMAZRVDYFL-UHFFFAOYSA-N 0 0 346.587 3.922 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3C)n2)cc1 ZINC000057341784 201139526 /nfs/dbraw/zinc/13/95/26/201139526.db2.gz HTTNGLMVGPZEEF-UHFFFAOYSA-N 0 0 325.343 3.637 10 0 EHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253396047 201186440 /nfs/dbraw/zinc/18/64/40/201186440.db2.gz KEHBWXPCFDVISV-DFQSSKMNSA-N 0 0 340.467 3.574 10 0 EHAERN COc1ccc(/C=C2\CCC[C@@H]3C2=NO[C@@]3(O)C(F)(F)F)cc1 ZINC000043463757 202511888 /nfs/dbraw/zinc/51/18/88/202511888.db2.gz LUQMHCRRVCTZRN-NRZIYFBUSA-N 0 0 327.302 3.516 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CC34CCOCC4)o2)cc1 ZINC000299748515 202561073 /nfs/dbraw/zinc/56/10/73/202561073.db2.gz HIGWNXDSOQQSIE-HRCADAONSA-N 0 0 326.396 3.599 10 0 EHAERN O[C@@H](Cc1ccc(F)cc1)c1ccc(I)cc1 ZINC000062140387 202794777 /nfs/dbraw/zinc/79/47/77/202794777.db2.gz UPAULYBENZCPQV-AWEZNQCLSA-N 0 0 342.151 3.706 10 0 EHAERN CCNC(=O)c1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1 ZINC000065344348 202836574 /nfs/dbraw/zinc/83/65/74/202836574.db2.gz WVUILYHQCVWSPK-UHFFFAOYSA-N 0 0 325.286 3.708 10 0 EHAERN O=C(NC1CCCC1)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450731 203226793 /nfs/dbraw/zinc/22/67/93/203226793.db2.gz LFWINTPRQAIAQP-UHFFFAOYSA-N 0 0 332.403 3.868 10 0 EHAERN Cc1nn2c(nc(C)cc2N[C@H](c2ccccn2)C(F)(F)F)c1C ZINC000072429277 203223053 /nfs/dbraw/zinc/22/30/53/203223053.db2.gz HBVZHJDYQNUWAX-CQSZACIVSA-N 0 0 335.333 3.765 10 0 EHAERN CC(C)Cn1c2cnccc2nc1[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000075877545 203326519 /nfs/dbraw/zinc/32/65/19/203326519.db2.gz RCRCLUIANLOHIV-KRWDZBQOSA-N 0 0 348.450 3.717 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCOCc2cncs2)CC1 ZINC000095083796 203711782 /nfs/dbraw/zinc/71/17/82/203711782.db2.gz SYUHERMJUKMINE-UHFFFAOYSA-N 0 0 326.462 3.697 10 0 EHAERN O=C(/C=C\c1ccco1)NCc1cc(C2CC2)n(C2CCCC2)n1 ZINC000101323228 204003606 /nfs/dbraw/zinc/00/36/06/204003606.db2.gz FSOVHWCEECNILG-KTKRTIGZSA-N 0 0 325.412 3.798 10 0 EHAERN COC(=O)[C@]1(Nc2ccccc2Br)CCC[C@H](C)C1 ZINC000104174493 204098837 /nfs/dbraw/zinc/09/88/37/204098837.db2.gz ZECUGPWHHQLABW-NHYWBVRUSA-N 0 0 326.234 3.983 10 0 EHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000104172038 204099413 /nfs/dbraw/zinc/09/94/13/204099413.db2.gz UULNSGZSGMKSPT-KGYLQXTDSA-N 0 0 327.266 3.968 10 0 EHAERN COc1cc2ncc(I)c(Cl)c2cc1OC ZINC000146543836 205561638 /nfs/dbraw/zinc/56/16/38/205561638.db2.gz APVCQZQFVPUSDW-UHFFFAOYSA-N 0 0 349.555 3.510 10 0 EHAERN C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1Br ZINC000008088558 210893076 /nfs/dbraw/zinc/89/30/76/210893076.db2.gz SYXUGVJJUOXGBF-JTQLQIEISA-N 0 0 348.196 3.669 10 0 EHAERN O=C(Cc1c(Br)cccc1Br)C(F)(F)F ZINC000299888938 257917271 /nfs/dbraw/zinc/91/72/71/257917271.db2.gz ATPCUVCRQWZKPE-UHFFFAOYSA-N 0 0 345.940 3.886 10 0 EHAERN CCCOc1ccc([C@@H](C)NC(=O)c2csnn2)cc1OCCC ZINC000041687473 520415560 /nfs/dbraw/zinc/41/55/60/520415560.db2.gz INGHLFONXHTOQF-GFCCVEGCSA-N 0 0 349.456 3.607 10 0 EHAERN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657142 524915659 /nfs/dbraw/zinc/91/56/59/524915659.db2.gz TXALSZKRINZLKY-GOEBONIOSA-N 0 0 348.443 3.701 10 0 EHAERN CC(C)c1[nH]nc(I)c1-c1ccc(F)cc1 ZINC000675076007 564113267 /nfs/dbraw/zinc/11/32/67/564113267.db2.gz HXSUXEYFTFJTMT-UHFFFAOYSA-N 0 0 330.144 3.944 10 0 EHAERN CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccccc2F)cc1 ZINC000013835049 560220738 /nfs/dbraw/zinc/22/07/38/560220738.db2.gz CECANHFDVPUVMI-AWEZNQCLSA-N 0 0 335.444 3.924 10 0 in-vitro EHAERN C[C@@H](c1ccccc1)N1C(=O)CC[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000000218627 563988763 /nfs/dbraw/zinc/98/87/63/563988763.db2.gz SJSYWAFLUMTAIC-KKSFZXQISA-N 0 0 342.483 3.968 10 0 EHAERN CCN(CC)C(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C ZINC000000223785 563988902 /nfs/dbraw/zinc/98/89/02/563988902.db2.gz DDRAXNCVHRIUEU-UHFFFAOYSA-N 0 0 346.500 3.780 10 0 EHAERN CCOc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1O ZINC000048547119 564031852 /nfs/dbraw/zinc/03/18/52/564031852.db2.gz PHUFSBDYGGRQQB-GXDHUFHOSA-N 0 0 343.766 3.789 10 0 EHAERN Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 ZINC000015883149 564077438 /nfs/dbraw/zinc/07/74/38/564077438.db2.gz ZGKIERXXRMDCTD-UHFFFAOYSA-N 0 0 336.366 3.596 10 0 EHAERN Cc1ccccc1-c1c(I)[nH]nc1C(F)F ZINC000675075738 564113294 /nfs/dbraw/zinc/11/32/94/564113294.db2.gz DUKMKJVYTBOUCG-UHFFFAOYSA-N 0 0 334.107 3.927 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@]2(F)c2ccccc2)no1 ZINC000412142783 564117853 /nfs/dbraw/zinc/11/78/53/564117853.db2.gz BZGUSZQTMVSBTN-DOXZYTNZSA-N 0 0 343.402 3.741 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)c21 ZINC000253396236 564130504 /nfs/dbraw/zinc/13/05/04/564130504.db2.gz MIKFGQNPSNGWFX-QRQLOZEOSA-N 0 0 340.467 3.561 10 0 EHAERN O=S(=O)(CCNc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000003899332 564159636 /nfs/dbraw/zinc/15/96/36/564159636.db2.gz UYKYNVRYVKYFRV-UHFFFAOYSA-N 0 0 346.235 3.814 10 0 EHAERN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000706399903 954948817 /nfs/dbraw/zinc/94/88/17/954948817.db2.gz IYBLIOWFLUKDOA-GXSJLCMTSA-N 0 0 346.652 3.645 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)o1 ZINC000246204250 1015826080 /nfs/dbraw/zinc/82/60/80/1015826080.db2.gz NDCWIOBZCQSPPM-WTTBNOFXSA-N 0 0 332.444 3.638 10 0 EHAERN O=C(Nc1cccc2c1CCCC2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000152186063 1016075016 /nfs/dbraw/zinc/07/50/16/1016075016.db2.gz BAOHUWFGXDKXTN-JXFKEZNVSA-N 0 0 328.456 3.724 10 0 EHAERN O=C(N[C@H]1CCCC12CCOCC2)NC1CCC(C(F)(F)F)CC1 ZINC000407958387 1016485698 /nfs/dbraw/zinc/48/56/98/1016485698.db2.gz RGVHJWQONKEPLX-RUXDESIVSA-N 0 0 348.409 3.756 10 0 EHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000177988476 1016510262 /nfs/dbraw/zinc/51/02/62/1016510262.db2.gz AZZOBGAYJNFDKX-LIRRHRJNSA-N 0 0 344.842 3.655 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000407982231 1016701644 /nfs/dbraw/zinc/70/16/44/1016701644.db2.gz GHTPVEOYHRFSSU-ATLSCFEFSA-N 0 0 344.455 3.646 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)o1 ZINC000407982402 1016703603 /nfs/dbraw/zinc/70/36/03/1016703603.db2.gz GHTPVEOYHRFSSU-CYGHRXIMSA-N 0 0 344.455 3.646 10 0 EHAERN CC(C)Cn1ncc2cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)cnc21 ZINC000408000370 1016827222 /nfs/dbraw/zinc/82/72/22/1016827222.db2.gz ADAMEKRFBDABDX-MAUKXSAKSA-N 0 0 340.471 3.882 10 0 EHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C)c1F ZINC000179990056 1016882293 /nfs/dbraw/zinc/88/22/93/1016882293.db2.gz WGYHSIMXLJIBCZ-HNNXBMFYSA-N 0 0 330.407 3.853 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2CCO[C@@H]2C2CC2)o1 ZINC000408014132 1016916377 /nfs/dbraw/zinc/91/63/77/1016916377.db2.gz JDNDTCLWZRLGML-GMLZMKKNSA-N 0 0 332.444 3.638 10 0 EHAERN C[C@H](c1ncc(C(C)(C)C)o1)N1CCCN(c2ccccn2)CC1 ZINC000183780452 1032205893 /nfs/dbraw/zinc/20/58/93/1032205893.db2.gz HIKAHPNRZNPAJW-OAHLLOKOSA-N 0 0 328.460 3.640 10 0 EHAERN COc1ccc(/C=C/C(=O)N2CC=C(c3cccs3)CC2)cc1O ZINC000183639751 1032213347 /nfs/dbraw/zinc/21/33/47/1032213347.db2.gz VJDIWRSINGJDKA-FNORWQNLSA-N 0 0 341.432 3.791 10 0 EHAERN Cc1cccc([C@H]2CCCCN2C(=O)NC2CCC(O)CC2)c1C ZINC000080630140 1032219139 /nfs/dbraw/zinc/21/91/39/1032219139.db2.gz BHYGZHCHDGSSAW-FAFZWHIHSA-N 0 0 330.472 3.844 10 0 EHAERN CC(C)c1ccc(NC(=O)NCc2nnc3n2CCCCC3)cc1F ZINC000184449717 1032273016 /nfs/dbraw/zinc/27/30/16/1032273016.db2.gz SFLZZGSILNWINU-UHFFFAOYSA-N 0 0 345.422 3.589 10 0 EHAERN C[C@@H](C(=O)Nc1cccc(-c2ncon2)c1)c1cn(C)c2ccccc12 ZINC000184745294 1032306148 /nfs/dbraw/zinc/30/61/48/1032306148.db2.gz NOGXYRUYEODOST-CYBMUJFWSA-N 0 0 346.390 3.971 10 0 EHAERN O=C(C=Cc1ccc2ccccc2c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000184677081 1032315722 /nfs/dbraw/zinc/31/57/22/1032315722.db2.gz QXXRNSZWSUADOD-LHUXKHBRSA-N 0 0 331.419 3.982 10 0 EHAERN CCC[C@H]1CCCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000185418542 1032396250 /nfs/dbraw/zinc/39/62/50/1032396250.db2.gz NSZVBOYSVGKXEJ-XJKSGUPXSA-N 0 0 332.469 3.671 10 0 EHAERN CCCC[C@H](CC)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185506214 1032437204 /nfs/dbraw/zinc/43/72/04/1032437204.db2.gz OTVTWCMEQAXPCQ-HNAYVOBHSA-N 0 0 348.462 3.952 10 0 EHAERN CCC[C@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185530871 1032438915 /nfs/dbraw/zinc/43/89/15/1032438915.db2.gz COHCTNSYWBNZLP-PKOBYXMFSA-N 0 0 348.462 3.808 10 0 EHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000081556546 1032577238 /nfs/dbraw/zinc/57/72/38/1032577238.db2.gz JOAUULAYIFQEGU-JKSUJKDBSA-N 0 0 329.831 3.778 10 0 EHAERN CCc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1CC ZINC000182758960 1017180111 /nfs/dbraw/zinc/18/01/11/1017180111.db2.gz PRLFTABNZAKNNO-YLJYHZDGSA-N 0 0 330.472 3.970 10 0 EHAERN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N[C@@H]1CCCC[C@@H]1O ZINC000113627229 1018426400 /nfs/dbraw/zinc/42/64/00/1018426400.db2.gz OEHQPUGQNYESSH-MCIONIFRSA-N 0 0 343.254 3.583 10 0 EHAERN CC(C)c1nnc(CN2CCc3cc(-c4ccccc4)oc3C2)n1C ZINC000177722846 1018460414 /nfs/dbraw/zinc/46/04/14/1018460414.db2.gz MZKWYNSOJLBCTM-UHFFFAOYSA-N 0 0 336.439 3.757 10 0 EHAERN Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333213486 1018877818 /nfs/dbraw/zinc/87/78/18/1018877818.db2.gz KMUWZZJXWOPOLA-MOMAJJCNSA-N 0 0 327.428 3.778 10 0 EHAERN CCO[C@@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@@H]1C ZINC000333252154 1018971968 /nfs/dbraw/zinc/97/19/68/1018971968.db2.gz SDTGIBQXNSHGPE-GXSJLCMTSA-N 0 0 325.459 3.637 10 0 EHAERN COc1cccc(F)c1NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000408433883 1019242555 /nfs/dbraw/zinc/24/25/55/1019242555.db2.gz ODHUYLMAWWIEOV-UHFFFAOYSA-N 0 0 336.407 3.790 10 0 EHAERN Cc1ncc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C2CC2)n1 ZINC000333374538 1019428974 /nfs/dbraw/zinc/42/89/74/1019428974.db2.gz ZSBGXMOPGAVQRO-VXGBXAGGSA-N 0 0 342.365 3.905 10 0 EHAERN C[C@H](C1CC1)n1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cn1 ZINC000333471955 1019673782 /nfs/dbraw/zinc/67/37/82/1019673782.db2.gz FZKSTVAXKSCJSU-WRUOCCKESA-N 0 0 328.460 3.754 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000588422392 1021325159 /nfs/dbraw/zinc/32/51/59/1021325159.db2.gz BFQDGUYZINTNQC-QINSGFPZSA-N 0 0 349.409 3.946 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H]1c1ccccc1Cl ZINC000187666986 1022218930 /nfs/dbraw/zinc/21/89/30/1022218930.db2.gz WGDUPJQGRRJBOX-KRWDZBQOSA-N 0 0 340.810 3.812 10 0 EHAERN O=C(c1c(Cl)cccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127817138 1022399915 /nfs/dbraw/zinc/39/99/15/1022399915.db2.gz CSDXLINUXOHDDW-BZNIZROVSA-N 0 0 328.239 3.761 10 0 EHAERN O[C@@]12CCCC[C@@H]1C[N@H+](Cc1coc(-c3ccc(F)cc3)n1)CC2 ZINC000128423211 1022434703 /nfs/dbraw/zinc/43/47/03/1022434703.db2.gz OCEYHDDEKHXAOD-DNVCBOLYSA-N 0 0 330.403 3.608 10 0 EHAERN O=C(CC[C@@H]1CCCO1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000328726466 1022488835 /nfs/dbraw/zinc/48/88/35/1022488835.db2.gz ZQLZATAWVCVWLV-HNAYVOBHSA-N 0 0 342.439 3.570 10 0 EHAERN CC(C)c1nc([C@H]2CCCN(C(=O)c3cccc4c3CCC4)C2)no1 ZINC000328887601 1022530273 /nfs/dbraw/zinc/53/02/73/1022530273.db2.gz OSDFGEMTJUKMCM-HNNXBMFYSA-N 0 0 339.439 3.702 10 0 EHAERN CCO[C@H]1C[C@H](N(C)Cc2nc(-c3ccsc3)no2)C12CCCC2 ZINC000121209611 1022631444 /nfs/dbraw/zinc/63/14/44/1022631444.db2.gz HCCIWHOPNKXDEA-GJZGRUSLSA-N 0 0 347.484 3.968 10 0 EHAERN C[C@]12CN(C(=O)Nc3ccc(-c4ncon4)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333877460 1022720739 /nfs/dbraw/zinc/72/07/39/1022720739.db2.gz VSNQBQZUERNFQK-PGSNGQOISA-N 0 0 338.411 3.637 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)CC(C)(C)C1 ZINC000332934586 1022870735 /nfs/dbraw/zinc/87/07/35/1022870735.db2.gz GYAOCXHGEBCNGB-OIISXLGYSA-N 0 0 340.471 3.667 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCCCN(CC(F)(F)F)C(C)C ZINC000588456900 1023083353 /nfs/dbraw/zinc/08/33/53/1023083353.db2.gz NNOREFDVAFUTKF-FPLPWBNLSA-N 0 0 344.377 3.609 10 0 EHAERN CCc1c(C(=O)N[C@@H]2CCCc3c(O)cccc32)[nH]c(C)c1C(C)=O ZINC000190282838 1023280725 /nfs/dbraw/zinc/28/07/25/1023280725.db2.gz CNWQTVOWOHUNOV-MRXNPFEDSA-N 0 0 340.423 3.601 10 0 EHAERN Cc1c(C(=O)N2CCC[C@H]2c2cnn(C)c2)sc2nccc(C)c12 ZINC000329011589 1023742195 /nfs/dbraw/zinc/74/21/95/1023742195.db2.gz ZYVSKJIYQNSDLZ-AWEZNQCLSA-N 0 0 340.452 3.624 10 0 EHAERN O=C(C/C=C\c1cccc(F)c1)N1CCC(O)(c2ccccc2)CC1 ZINC000588479800 1023893747 /nfs/dbraw/zinc/89/37/47/1023893747.db2.gz LCXYQPOCMCYDIG-ALCCZGGFSA-N 0 0 339.410 3.739 10 0 EHAERN Cc1csc2ncc(-c3nc([C@H]4C[C@H](C)C[C@H](C)C4)no3)c(=O)n12 ZINC000329646685 1023975743 /nfs/dbraw/zinc/97/57/43/1023975743.db2.gz DQCAITKBDKEKRE-IAZYJMLFSA-N 0 0 344.440 3.654 10 0 EHAERN Cc1c(C(=O)N2CCC(c3cc[nH]n3)CC2)sc2nccc(C)c12 ZINC000329676989 1024040431 /nfs/dbraw/zinc/04/04/31/1024040431.db2.gz PUPPYPQBOFOVLZ-UHFFFAOYSA-N 0 0 340.452 3.656 10 0 EHAERN CC[C@H](C)OCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000151289807 1024085655 /nfs/dbraw/zinc/08/56/55/1024085655.db2.gz HEYFULJUYSKHJB-DOTOQJQBSA-N 0 0 341.455 3.598 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@H]2CCCc3cc(F)ccc32)cn1 ZINC000093263760 1024094997 /nfs/dbraw/zinc/09/49/97/1024094997.db2.gz GCVNSNHDMYZBCM-INIZCTEOSA-N 0 0 330.407 3.976 10 0 EHAERN Cc1cc2ncc(-c3nc(C4C[C@@H](C)C[C@H](C)C4)no3)c(C)n2n1 ZINC000329746444 1024173885 /nfs/dbraw/zinc/17/38/85/1024173885.db2.gz YUXVGBTUTMCRMP-QWRGUYRKSA-N 0 0 325.416 3.936 10 0 EHAERN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000330204233 1024353105 /nfs/dbraw/zinc/35/31/05/1024353105.db2.gz BMCCWLZPZFGILO-VQISRLSMSA-N 0 0 333.819 3.608 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3F)CCO2)o1 ZINC000151674949 1024376527 /nfs/dbraw/zinc/37/65/27/1024376527.db2.gz DVKQJQSMPGFSOZ-ACJLOTCBSA-N 0 0 331.387 3.821 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc4nc(C)ccc4c3)CCO2)o1 ZINC000151786151 1024627625 /nfs/dbraw/zinc/62/76/25/1024627625.db2.gz FOVNZEXCSNSPNJ-LJQANCHMSA-N 0 0 336.391 3.658 10 0 EHAERN CCc1csc([C@@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)n1 ZINC000113205228 1024870957 /nfs/dbraw/zinc/87/09/57/1024870957.db2.gz YJGIONLMAZGPQZ-OAHLLOKOSA-N 0 0 328.437 3.538 10 0 EHAERN O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCC[C@H]1C1CCC1 ZINC000102875954 1025551161 /nfs/dbraw/zinc/55/11/61/1025551161.db2.gz AWCDNWWYPZZTTR-KRWDZBQOSA-N 0 0 329.831 3.930 10 0 EHAERN O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329169175 1025637214 /nfs/dbraw/zinc/63/72/14/1025637214.db2.gz JLHXGXNCRVWAKG-QSPRXWTASA-N 0 0 343.471 3.869 10 0 EHAERN Cc1nc2c(c(N3CCC[C@H]3c3nc4ccccc4[nH]3)n1)CCCC2 ZINC000329290307 1025729955 /nfs/dbraw/zinc/72/99/55/1025729955.db2.gz AKJAHIYRSNFEQW-SFHVURJKSA-N 0 0 333.439 3.882 10 0 EHAERN CCCCCCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000121953059 1026056763 /nfs/dbraw/zinc/05/67/63/1026056763.db2.gz VPAQCBNEPNVCPR-UHFFFAOYSA-N 0 0 334.435 3.517 10 0 EHAERN COc1ccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)cc1F ZINC000103235786 1026062911 /nfs/dbraw/zinc/06/29/11/1026062911.db2.gz UJJXLHCYXXTXMP-UHFFFAOYSA-N 0 0 341.386 3.988 10 0 EHAERN CC[C@H]1C[C@H](c2nc(CCn3c(C)nc4ccccc43)no2)CCO1 ZINC000329615516 1026076888 /nfs/dbraw/zinc/07/68/88/1026076888.db2.gz PNLWMCAPBDCEKV-CABCVRRESA-N 0 0 340.427 3.643 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000103863085 1026131071 /nfs/dbraw/zinc/13/10/71/1026131071.db2.gz KKZZGKFKZLMLGB-GOSISDBHSA-N 0 0 342.414 3.706 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2cc(C)oc2C)C1 ZINC000152561913 1026340634 /nfs/dbraw/zinc/34/06/34/1026340634.db2.gz BLXQBWMQZCGPNR-GOEBONIOSA-N 0 0 344.459 3.763 10 0 EHAERN COc1cc(Br)ccc1CNC(=O)/C=C\C(C)(C)C ZINC000588524487 1026417822 /nfs/dbraw/zinc/41/78/22/1026417822.db2.gz YJZNSIMPFYJQCW-FPLPWBNLSA-N 0 0 326.234 3.676 10 0 EHAERN COc1ccc(F)cc1CNC(=O)/C=C\c1ccnc2ccccc12 ZINC000588524445 1026418137 /nfs/dbraw/zinc/41/81/37/1026418137.db2.gz DFXKZYBXUFGZMX-TWGQIWQCSA-N 0 0 336.366 3.712 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@@H](C)c3ccncc3)C2)cc1 ZINC000122434748 1026465576 /nfs/dbraw/zinc/46/55/76/1026465576.db2.gz YILBXHRQRXOHHR-RVKKMQEKSA-N 0 0 339.439 3.739 10 0 EHAERN C/C(=C/C(=O)N1CCC(=O)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000588532400 1026712991 /nfs/dbraw/zinc/71/29/91/1026712991.db2.gz OEXLTAKPORRFPB-KGTBHZDVSA-N 0 0 325.330 3.546 10 0 EHAERN Cc1noc(-c2ccnc(N(Cc3ccco3)Cc3ccco3)c2)n1 ZINC000301532404 1026842559 /nfs/dbraw/zinc/84/25/59/1026842559.db2.gz PUOFDSGRDDSCCA-UHFFFAOYSA-N 0 0 336.351 3.833 10 0 EHAERN O=C(Nc1cccc(OCCF)c1)N1CCC[C@H](c2nccs2)C1 ZINC000123055239 1026945572 /nfs/dbraw/zinc/94/55/72/1026945572.db2.gz UXSRICADSOTKBQ-ZDUSSCGKSA-N 0 0 349.431 3.903 10 0 EHAERN Cc1ccc([C@H]2CN(c3ccc(Br)c(C)n3)CCO2)o1 ZINC000302148201 1027071029 /nfs/dbraw/zinc/07/10/29/1027071029.db2.gz LJFIJFULHLRZNM-CQSZACIVSA-N 0 0 337.217 3.632 10 0 EHAERN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1nc(-c2cccnc2)no1 ZINC000123436340 1027304779 /nfs/dbraw/zinc/30/47/79/1027304779.db2.gz QUDGPGRVXNPWJU-VXGBXAGGSA-N 0 0 342.374 3.691 10 0 EHAERN C[C@@H](c1nc(C2CC2)no1)N1CCC(Nc2ccccc2F)CC1 ZINC000129065523 1027518348 /nfs/dbraw/zinc/51/83/48/1027518348.db2.gz BPLPGFIORSUYGQ-LBPRGKRZSA-N 0 0 330.407 3.724 10 0 EHAERN CN1CC[C@H](CNC(=O)Cc2cnc3ccccc3c2)c2ccccc21 ZINC000129992910 1027625307 /nfs/dbraw/zinc/62/53/07/1027625307.db2.gz VBKNYEDUPAXCDZ-GOSISDBHSA-N 0 0 345.446 3.517 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000131887633 1027835429 /nfs/dbraw/zinc/83/54/29/1027835429.db2.gz DWFTUUNUKHLYPB-OGHNNQOOSA-N 0 0 341.455 3.543 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)C[C@@H]2c3ccccc3NC2=O)cc1 ZINC000132746024 1027959290 /nfs/dbraw/zinc/95/92/90/1027959290.db2.gz YEOPYGWRRWPZSN-MRXNPFEDSA-N 0 0 338.407 3.928 10 0 EHAERN CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114806597 1027977568 /nfs/dbraw/zinc/97/75/68/1027977568.db2.gz DSMNHGRWZFHVMG-CYBMUJFWSA-N 0 0 344.440 3.513 10 0 EHAERN CC(C)c1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c2ccccc2n1 ZINC000116117697 1027989131 /nfs/dbraw/zinc/98/91/31/1027989131.db2.gz OKZGTGPEOMUJPD-OAHLLOKOSA-N 0 0 348.450 3.721 10 0 EHAERN Cc1cc2c(cc1NC(=O)N1C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)OCO2 ZINC000333578460 1027991055 /nfs/dbraw/zinc/99/10/55/1027991055.db2.gz ZICUJYCRAQHBCT-UMCXVIDHSA-N 0 0 328.412 3.624 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C3(c4ccccc4C)CC3)CCO2)o1 ZINC000133538428 1028041164 /nfs/dbraw/zinc/04/11/64/1028041164.db2.gz ONHHYCIEGAHDQO-SFHVURJKSA-N 0 0 325.408 3.528 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3ccc(C)cc3C)CCO2)o1 ZINC000133760145 1028062314 /nfs/dbraw/zinc/06/23/14/1028062314.db2.gz SALHFODJLQXZKQ-IBGZPJMESA-N 0 0 327.424 3.738 10 0 EHAERN CCOc1ccccc1CCC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000134134561 1028095636 /nfs/dbraw/zinc/09/56/36/1028095636.db2.gz PBXPUNBSZCCDFS-IBGZPJMESA-N 0 0 343.423 3.519 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(Cl)c1 ZINC000134597847 1028131439 /nfs/dbraw/zinc/13/14/39/1028131439.db2.gz RQPBAOHXRNUFHD-SUMWQHHRSA-N 0 0 345.830 3.659 10 0 EHAERN CC1CCC(N(C)C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 ZINC000078885875 1028290536 /nfs/dbraw/zinc/29/05/36/1028290536.db2.gz WHHFKVPTAKMUFN-PCKAHOCUSA-N 0 0 348.512 3.637 10 0 EHAERN Cc1cc2cc(NC(=O)N3CC[C@H](Oc4cccnc4)C3)ccc2[nH]1 ZINC000137390181 1028310538 /nfs/dbraw/zinc/31/05/38/1028310538.db2.gz TVMCWEBBXGHKQY-KRWDZBQOSA-N 0 0 336.395 3.557 10 0 EHAERN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@H](c2nccs2)C1 ZINC000067048825 1028353709 /nfs/dbraw/zinc/35/37/09/1028353709.db2.gz XOEUZDCPQJRVBO-NSHDSACASA-N 0 0 329.400 3.783 10 0 EHAERN O=C(c1ccccc1OC(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000067048533 1028354669 /nfs/dbraw/zinc/35/46/69/1028354669.db2.gz DTPVYHABNQBKEW-NSHDSACASA-N 0 0 338.379 3.764 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)COc2cccc(F)c2F)cc1 ZINC000057934040 1028379588 /nfs/dbraw/zinc/37/95/88/1028379588.db2.gz WVPKOTQAAJOQND-INIZCTEOSA-N 0 0 347.361 3.716 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2cccc3ccccc32)c2ccccc2)[nH]1 ZINC000068365116 1028395678 /nfs/dbraw/zinc/39/56/78/1028395678.db2.gz IELIDNWJMNBQSX-LJQANCHMSA-N 0 0 342.402 3.786 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1CCC(c2n[nH]c(=S)n2C(C)C)CC1 ZINC000068446960 1028398263 /nfs/dbraw/zinc/39/82/63/1028398263.db2.gz PJMGHACMCVPBAI-ZDUSSCGKSA-N 0 0 338.521 3.910 10 0 EHAERN COc1ccccc1[C@H]1CCCN1C(=O)N[C@H](C)c1ccncc1 ZINC000069727907 1028438128 /nfs/dbraw/zinc/43/81/28/1028438128.db2.gz GMLVLMRYOCVYDO-RHSMWYFYSA-N 0 0 325.412 3.698 10 0 EHAERN CC(=O)SCCCCCCNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000193860657 1028472905 /nfs/dbraw/zinc/47/29/05/1028472905.db2.gz PTTVMHSNAGPMIQ-CXAGYDPISA-N 0 0 335.469 3.507 10 0 EHAERN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246474788 1028599444 /nfs/dbraw/zinc/59/94/44/1028599444.db2.gz GDWNIVXUDDGGFM-OAUYIBNBSA-N 0 0 345.418 3.735 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1csc(-c2ccsc2)n1 ZINC000246575706 1028662603 /nfs/dbraw/zinc/66/26/03/1028662603.db2.gz ARBVBVHXQGKKKC-OUCADQQQSA-N 0 0 334.466 3.559 10 0 EHAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccncc2)C12CCCCC2 ZINC000246581172 1028663068 /nfs/dbraw/zinc/66/30/68/1028663068.db2.gz ISHUYWWNWXTSCU-HYVNUMGLSA-N 0 0 331.460 3.570 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]1c1ccco1 ZINC000246824681 1028700308 /nfs/dbraw/zinc/70/03/08/1028700308.db2.gz CEBHBRVYJZRKRL-BQFCYCMXSA-N 0 0 326.440 3.991 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccs1 ZINC000247000300 1028724685 /nfs/dbraw/zinc/72/46/85/1028724685.db2.gz PYEXKBDWHRWRQR-NMFUWQPSSA-N 0 0 336.501 3.948 10 0 EHAERN c1csc(-c2nc(CN3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000247317531 1028776410 /nfs/dbraw/zinc/77/64/10/1028776410.db2.gz VXTBDPFBTDOSOM-OCCSQVGLSA-N 0 0 338.523 3.578 10 0 EHAERN Cc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(O)c1 ZINC000075805813 1028794088 /nfs/dbraw/zinc/79/40/88/1028794088.db2.gz SUCQRXANAMZHMR-UHFFFAOYSA-N 0 0 328.387 3.556 10 0 EHAERN CC(C)OCc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000247623528 1028804961 /nfs/dbraw/zinc/80/49/61/1028804961.db2.gz UBCWNBSTNVPRKK-KSZLIROESA-N 0 0 332.444 3.691 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc4[nH]ccc43)CCO2)o1 ZINC000153850563 1028822814 /nfs/dbraw/zinc/82/28/14/1028822814.db2.gz FOPYSZFNCJAXIR-KRWDZBQOSA-N 0 0 325.368 3.675 10 0 EHAERN CCN1c2ccc(N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2CCC1=O ZINC000248893853 1028962434 /nfs/dbraw/zinc/96/24/34/1028962434.db2.gz UFFNFRCEZPPPCX-KFKAGJAMSA-N 0 0 328.456 3.601 10 0 EHAERN C[C@@H]1CN(C(=O)NC[C@H](CCO)c2ccccc2)[C@H]1c1ccccc1 ZINC000245671197 1028992369 /nfs/dbraw/zinc/99/23/69/1028992369.db2.gz FJKVCSJQGOYTGC-LSTHTHJFSA-N 0 0 338.451 3.555 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)CC/C=C/c3ccccc3)CC2)n1 ZINC000078133906 1029218210 /nfs/dbraw/zinc/21/82/10/1029218210.db2.gz SPPXCOVTEFXDMX-VZUCSPMQSA-N 0 0 349.478 3.969 10 0 EHAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)c1ccncc1 ZINC000245854812 1029384569 /nfs/dbraw/zinc/38/45/69/1029384569.db2.gz FENNEHUTMIRCHY-QAPCUYQASA-N 0 0 338.455 3.583 10 0 EHAERN Cc1csc(C2CCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)CC2)n1 ZINC000155532002 1029562795 /nfs/dbraw/zinc/56/27/95/1029562795.db2.gz NVNFTOSXPPKNJR-NSHDSACASA-N 0 0 346.500 3.691 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000246023244 1029579267 /nfs/dbraw/zinc/57/92/67/1029579267.db2.gz WCUCRYINQCNCMV-RCCFBDPRSA-N 0 0 349.519 3.689 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@H]2CCC[C@H]21 ZINC000155659914 1029615748 /nfs/dbraw/zinc/61/57/48/1029615748.db2.gz SOWAIDVLCIPKAW-GDBMZVCRSA-N 0 0 333.501 3.691 10 0 EHAERN CC(C)Oc1cccnc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000079523140 1029660775 /nfs/dbraw/zinc/66/07/75/1029660775.db2.gz VVARQCFTNSQNKZ-UHFFFAOYSA-N 0 0 328.437 3.860 10 0 EHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC1CCN(c2cccs2)CC1 ZINC000156105456 1029749378 /nfs/dbraw/zinc/74/93/78/1029749378.db2.gz NJYMRHNTJYCMNY-MSOLQXFVSA-N 0 0 340.492 3.945 10 0 EHAERN O=C(c1ccnc(Cl)c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089625201 1029956263 /nfs/dbraw/zinc/95/62/63/1029956263.db2.gz VTILBNHMPOXQKY-CQSZACIVSA-N 0 0 337.206 3.682 10 0 EHAERN COc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202601 1030090526 /nfs/dbraw/zinc/09/05/26/1030090526.db2.gz HRXLKINGHKVEEX-INIZCTEOSA-N 0 0 329.787 3.611 10 0 EHAERN CN(C(=O)[C@@]1(C)CCCc2ccccc21)[C@@H]1CCCc2c1cnn2C ZINC000157056692 1030224527 /nfs/dbraw/zinc/22/45/27/1030224527.db2.gz VJZMRSTUJFPHMV-NQIIRXRSSA-N 0 0 337.467 3.550 10 0 EHAERN Cc1cc(CN2CCCN(C(=O)c3cccs3)CC2)ccc1F ZINC000093385804 1030596065 /nfs/dbraw/zinc/59/60/65/1030596065.db2.gz QEJFFAVCNOKCOL-UHFFFAOYSA-N 0 0 332.444 3.544 10 0 EHAERN CCCc1nc(C)c(C(=O)Nc2cccc(-c3ncon3)c2)s1 ZINC000170632269 1030690831 /nfs/dbraw/zinc/69/08/31/1030690831.db2.gz RFPGAHBRFSXCOM-UHFFFAOYSA-N 0 0 328.397 3.706 10 0 EHAERN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632633 1030693401 /nfs/dbraw/zinc/69/34/01/1030693401.db2.gz UIWKYMCYKKCUAL-UHFFFAOYSA-N 0 0 346.346 3.952 10 0 EHAERN O=C(COc1ccc(F)cc1Cl)Nc1cccc(-c2ncon2)c1 ZINC000170632696 1030693502 /nfs/dbraw/zinc/69/35/02/1030693502.db2.gz WDJJBETZWXPBHH-UHFFFAOYSA-N 0 0 347.733 3.547 10 0 EHAERN O=C(CCCOc1ccccc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000170891555 1030714457 /nfs/dbraw/zinc/71/44/57/1030714457.db2.gz PAYFWPBZFKSJBE-CQSZACIVSA-N 0 0 348.443 3.847 10 0 EHAERN CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000171643847 1030770434 /nfs/dbraw/zinc/77/04/34/1030770434.db2.gz JRYCZMKECKLNLW-JCVNQNCUSA-N 0 0 342.464 3.961 10 0 EHAERN O=C(Cc1c(F)cccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000171646116 1030772252 /nfs/dbraw/zinc/77/22/52/1030772252.db2.gz GRMSZQCVXYWNEX-NSHDSACASA-N 0 0 338.835 3.884 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccccc3C)CC2)nc1 ZINC000157705735 1030782759 /nfs/dbraw/zinc/78/27/59/1030782759.db2.gz FPRNKTFPCZDDSC-PMACEKPBSA-N 0 0 349.478 3.587 10 0 EHAERN C[C@@H](Cc1cccs1)NC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171901172 1030805664 /nfs/dbraw/zinc/80/56/64/1030805664.db2.gz HHVBSYKESOCNJP-HNNXBMFYSA-N 0 0 343.496 3.738 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000172039563 1030865572 /nfs/dbraw/zinc/86/55/72/1030865572.db2.gz ZJUXQEZWTZGNTH-BMIGLBTASA-N 0 0 325.393 3.641 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000172221041 1030872655 /nfs/dbraw/zinc/87/26/55/1030872655.db2.gz SOCMKLFHYBLRAD-ZFWWWQNUSA-N 0 0 343.452 3.556 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(F)c(F)c2)c2ccccc2)[nH]1 ZINC000173379133 1031086347 /nfs/dbraw/zinc/08/63/47/1031086347.db2.gz IXQOPYHEEADBAM-GTNSWQLSSA-N 0 0 328.366 3.832 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000173470179 1031093784 /nfs/dbraw/zinc/09/37/84/1031093784.db2.gz AOYDCAQCOYIXFZ-AWEZNQCLSA-N 0 0 342.443 3.999 10 0 EHAERN Cc1cnc(NC(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000174514543 1031226781 /nfs/dbraw/zinc/22/67/81/1031226781.db2.gz MSACEKVRWAMGET-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN Cc1nc(CC(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cs1 ZINC000174705177 1031248200 /nfs/dbraw/zinc/24/82/00/1031248200.db2.gz WZBCABZCXXVHLP-KDOFPFPSSA-N 0 0 344.480 3.599 10 0 EHAERN CN(CCc1cccs1)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000175304399 1031294207 /nfs/dbraw/zinc/29/42/07/1031294207.db2.gz QWQXHXVONBONFE-HNNXBMFYSA-N 0 0 343.496 3.556 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000175430818 1031334136 /nfs/dbraw/zinc/33/41/36/1031334136.db2.gz ZKNSZYGUMXPPDW-IAGOWNOFSA-N 0 0 342.483 3.812 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CC[C@H](c4ccccc4)C3)nc21 ZINC000175939211 1031370058 /nfs/dbraw/zinc/37/00/58/1031370058.db2.gz IBTNJFVVBVDVLJ-KRWDZBQOSA-N 0 0 333.435 3.820 10 0 EHAERN O[C@H](C[C@@H]1CCCN1Cc1cn2ccsc2n1)c1cccs1 ZINC000175816015 1031384836 /nfs/dbraw/zinc/38/48/36/1031384836.db2.gz JJSFCOFVPHCRJD-UONOGXRCSA-N 0 0 333.482 3.545 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCS[C@H]4CCCC[C@H]43)nc21 ZINC000176230161 1031397792 /nfs/dbraw/zinc/39/77/92/1031397792.db2.gz STEZCLYASSQIBY-CVEARBPZSA-N 0 0 343.496 3.691 10 0 EHAERN CC(C)[C@@H](C(=O)N1CCC(n2cncn2)CC1)c1cccc(Cl)c1 ZINC000176293476 1031423775 /nfs/dbraw/zinc/42/37/75/1031423775.db2.gz VJUCXEXTZDWKBH-QGZVFWFLSA-N 0 0 346.862 3.535 10 0 EHAERN C[C@H](Nc1cc(=O)n2ccccc2n1)c1ccc(-c2cccnc2)cc1 ZINC000176739400 1031454453 /nfs/dbraw/zinc/45/44/53/1031454453.db2.gz MVQHTZSVTLDWLR-HNNXBMFYSA-N 0 0 342.402 3.930 10 0 EHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)cc1 ZINC000176786713 1031485280 /nfs/dbraw/zinc/48/52/80/1031485280.db2.gz NRUQGIBLAQMOAB-VQFGERMISA-N 0 0 341.407 3.680 10 0 EHAERN O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](c2nccs2)C1 ZINC000177194219 1031521502 /nfs/dbraw/zinc/52/15/02/1031521502.db2.gz QTMJWIREODRXEX-SECBINFHSA-N 0 0 326.343 3.580 10 0 EHAERN Cc1coc(-c2ccc(C)c(NC(=O)Nc3cn(C)nc3C)c2)n1 ZINC000178002860 1031604560 /nfs/dbraw/zinc/60/45/60/1031604560.db2.gz VIXKFGCZQGFQDW-UHFFFAOYSA-N 0 0 325.372 3.644 10 0 EHAERN CCn1c(CN2CCO[C@H](c3ccc(C)o3)C2)nc2c1cccc2F ZINC000158914950 1031732268 /nfs/dbraw/zinc/73/22/68/1031732268.db2.gz HKDFKYFTBCHBSH-KRWDZBQOSA-N 0 0 343.402 3.670 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CCCO4)CCO2)o1 ZINC000179398400 1031746267 /nfs/dbraw/zinc/74/62/67/1031746267.db2.gz ZUBXKIJGFNVXBT-SFHVURJKSA-N 0 0 342.395 3.518 10 0 EHAERN CCc1noc(CC)c1CNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179512074 1031783022 /nfs/dbraw/zinc/78/30/22/1031783022.db2.gz ZEJVNZCPDNTWSA-UHFFFAOYSA-N 0 0 339.399 3.511 10 0 EHAERN COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1O ZINC000180093106 1031840212 /nfs/dbraw/zinc/84/02/12/1031840212.db2.gz XTCGZURCDXREAA-ZBFHGGJFSA-N 0 0 333.453 3.550 10 0 EHAERN Cc1noc2nc(C)cc(C(=O)N3CC=C(c4cccs4)CC3)c12 ZINC000117723666 1031842804 /nfs/dbraw/zinc/84/28/04/1031842804.db2.gz YOVMYGQWIVVDPM-UHFFFAOYSA-N 0 0 339.420 3.831 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000117750298 1031847174 /nfs/dbraw/zinc/84/71/74/1031847174.db2.gz UHKABNOAZLUASI-ZAZJYDDPSA-N 0 0 327.346 3.788 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3nc(C(F)(F)F)cs3)CCO2)o1 ZINC000159141608 1031896062 /nfs/dbraw/zinc/89/60/62/1031896062.db2.gz WNOZZQCCUDFHPO-LLVKDONJSA-N 0 0 332.347 3.637 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 ZINC000181193706 1031952488 /nfs/dbraw/zinc/95/24/88/1031952488.db2.gz NSIUWFGWYHHEIT-UHFFFAOYSA-N 0 0 348.805 3.866 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000181209533 1031954982 /nfs/dbraw/zinc/95/49/82/1031954982.db2.gz GGNBJEPUVWEDAW-IEBWSBKVSA-N 0 0 325.456 3.533 10 0 EHAERN CCCCC[C@H](CC)C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000181489331 1031996408 /nfs/dbraw/zinc/99/64/08/1031996408.db2.gz MYYVWIBHMLRMQP-LZLYRXPVSA-N 0 0 334.504 3.595 10 0 EHAERN Cc1ccccc1SCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101526212 1033748116 /nfs/dbraw/zinc/74/81/16/1033748116.db2.gz ZNJPYQVFWWQJOS-UHFFFAOYSA-N 0 0 325.393 3.776 10 0 EHAERN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122326876 1035426840 /nfs/dbraw/zinc/42/68/40/1035426840.db2.gz ASNCKKWYDYYVDV-NOCIGQNYSA-N 0 0 348.874 3.533 10 0 EHAERN CCCCCCC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185552702 1035494994 /nfs/dbraw/zinc/49/49/94/1035494994.db2.gz QZNQVHBWLAQSBQ-GOSISDBHSA-N 0 0 334.435 3.706 10 0 EHAERN COc1ccsc1[C@H](C)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000186149065 1035592291 /nfs/dbraw/zinc/59/22/91/1035592291.db2.gz FASNIWZLEQBXAH-NHYWBVRUSA-N 0 0 328.441 3.623 10 0 EHAERN CC(C)[C@H](C(=O)N1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000186409346 1035630370 /nfs/dbraw/zinc/63/03/70/1035630370.db2.gz VYCGCAKEEYQRID-FQEVSTJZSA-N 0 0 337.467 3.560 10 0 EHAERN Cc1nc2c(s1)[C@H](Nc1ccc3c(c1)CN(C)C(=O)N3)CCC2 ZINC000186528565 1035654455 /nfs/dbraw/zinc/65/44/55/1035654455.db2.gz NAYWOMFNBCONKA-OAHLLOKOSA-N 0 0 328.441 3.918 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc([S@](C)=O)cc1 ZINC000186554002 1035656755 /nfs/dbraw/zinc/65/67/55/1035656755.db2.gz VULTWLOPJYDGTM-YYUOZPCZSA-N 0 0 343.452 3.574 10 0 EHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccs1 ZINC000186603197 1035668749 /nfs/dbraw/zinc/66/87/49/1035668749.db2.gz WDDYXDXTAJJGHN-SNVBAGLBSA-N 0 0 330.413 3.608 10 0 EHAERN CCSCc1cc(C(=O)N2CC=C(c3ccccc3F)CC2)no1 ZINC000186750112 1035699214 /nfs/dbraw/zinc/69/92/14/1035699214.db2.gz FANJFRQCSFIIIN-UHFFFAOYSA-N 0 0 346.427 3.996 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N[C@H]1CCCc2occc21 ZINC000186826289 1035714204 /nfs/dbraw/zinc/71/42/04/1035714204.db2.gz SNVCHKQJFFKUKU-NSHDSACASA-N 0 0 334.397 3.635 10 0 EHAERN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C=O)cc1 ZINC000187033189 1035741943 /nfs/dbraw/zinc/74/19/43/1035741943.db2.gz NYULWYOYBCKJPP-FZKQIMNGSA-N 0 0 343.810 3.755 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000188195291 1035903422 /nfs/dbraw/zinc/90/34/22/1035903422.db2.gz FRKGJEGUYLGUDZ-QLFBSQMISA-N 0 0 333.480 3.504 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)CCc1cccs1 ZINC000188579387 1035952301 /nfs/dbraw/zinc/95/23/01/1035952301.db2.gz RGHWJRVEOYRRKA-INIZCTEOSA-N 0 0 330.453 3.764 10 0 EHAERN Cc1cc(NC(=O)[C@@H](C)SC[C@@H]2CCC3(CCCCC3)O2)on1 ZINC000188768245 1035980913 /nfs/dbraw/zinc/98/09/13/1035980913.db2.gz MDWIBIJGCRJAJG-KGLIPLIRSA-N 0 0 338.473 3.925 10 0 EHAERN CCSCC[C@@H](C)NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189381630 1036063564 /nfs/dbraw/zinc/06/35/64/1036063564.db2.gz VWAYDRHOCPFSHG-OAHLLOKOSA-N 0 0 348.512 3.796 10 0 EHAERN C[C@@]1(CNC(=O)N2CC3(CCOCC3)c3ccccc32)CCCS1 ZINC000189552155 1036086575 /nfs/dbraw/zinc/08/65/75/1036086575.db2.gz QIBMIEBTDNVUKW-SFHVURJKSA-N 0 0 346.496 3.550 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCC(CCc2ccccc2)CC1 ZINC000189584509 1036092704 /nfs/dbraw/zinc/09/27/04/1036092704.db2.gz ORMMWKHUIXUDPD-UHFFFAOYSA-N 0 0 326.444 3.605 10 0 EHAERN O=C(Cc1ccc(O)cc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189644095 1036106029 /nfs/dbraw/zinc/10/60/29/1036106029.db2.gz HPTUTYCELITDFB-CQSZACIVSA-N 0 0 331.362 3.619 10 0 EHAERN CCOc1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189792819 1036129293 /nfs/dbraw/zinc/12/92/93/1036129293.db2.gz CFQWDXHRJUIPQY-UHFFFAOYSA-N 0 0 337.419 3.794 10 0 EHAERN Cc1ccc2oc(C(=O)N3CC4(CCOCC4)c4ccccc43)cc2n1 ZINC000189808069 1036147595 /nfs/dbraw/zinc/14/75/95/1036147595.db2.gz SFFDRTWVVHGDOQ-UHFFFAOYSA-N 0 0 348.402 3.845 10 0 EHAERN CCS[C@H](C(=O)N1CC2(CCOCC2)c2ccccc21)C(C)C ZINC000189816847 1036149590 /nfs/dbraw/zinc/14/95/90/1036149590.db2.gz BYLMURINZYRWSL-KRWDZBQOSA-N 0 0 333.497 3.859 10 0 EHAERN C[C@H](C(=O)N1CC2(CCOCC2)c2ccccc21)c1cccs1 ZINC000189817663 1036150828 /nfs/dbraw/zinc/15/08/28/1036150828.db2.gz FUFREZSXOHVSFN-AWEZNQCLSA-N 0 0 327.449 3.947 10 0 EHAERN CCc1ccc(NC(=O)CN2CCC[C@H]2c2csc(C)n2)cc1 ZINC000189849397 1036156898 /nfs/dbraw/zinc/15/68/98/1036156898.db2.gz ZIIAVPJHXAGFCZ-KRWDZBQOSA-N 0 0 329.469 3.790 10 0 EHAERN C[C@@]1(NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCCOC1 ZINC000332792623 1036159940 /nfs/dbraw/zinc/15/99/40/1036159940.db2.gz FFXKNPUGYSFQBG-VQIMIIECSA-N 0 0 344.455 3.691 10 0 EHAERN Cc1cc(C(=O)N[C@H]2CCOc3c(C)cccc32)nn1C(C)(C)C ZINC000189943179 1036164680 /nfs/dbraw/zinc/16/46/80/1036164680.db2.gz TXFDWHCSROQZBU-HNNXBMFYSA-N 0 0 327.428 3.509 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCOc4c(C)cccc43)nc21 ZINC000190151332 1036199609 /nfs/dbraw/zinc/19/96/09/1036199609.db2.gz GCNXMSWPRMJKOJ-MRXNPFEDSA-N 0 0 349.434 3.752 10 0 EHAERN C[C@@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)C1CCOCC1 ZINC000190263332 1036214320 /nfs/dbraw/zinc/21/43/20/1036214320.db2.gz CPPTUQWLOBWWNU-HIFRSBDPSA-N 0 0 337.410 3.734 10 0 EHAERN O=C(/C=C/SCc1ccco1)N1CCC(Nc2nccs2)CC1 ZINC000190379853 1036231113 /nfs/dbraw/zinc/23/11/13/1036231113.db2.gz GUJCUUDPXSDQMY-BJMVGYQFSA-N 0 0 349.481 3.586 10 0 EHAERN C[C@H](OC[C@H]1CCCCO1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190382856 1036232897 /nfs/dbraw/zinc/23/28/97/1036232897.db2.gz BPSOSLMAECCXJK-XGUBFFRZSA-N 0 0 338.448 3.635 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/SCc1ccco1 ZINC000190648145 1036269595 /nfs/dbraw/zinc/26/95/95/1036269595.db2.gz VSMZRRNJHDYQQD-KXKDPZRNSA-N 0 0 329.421 3.975 10 0 EHAERN Cc1nc([C@@H](C)N2CCCN(C)C(=O)C2)oc1-c1ccc(Cl)cc1 ZINC000191129342 1036340855 /nfs/dbraw/zinc/34/08/55/1036340855.db2.gz ASHCPZZKNXXKTD-CYBMUJFWSA-N 0 0 347.846 3.529 10 0 EHAERN CCS(=O)(=O)CCCCCN1CC=C(c2ccccc2F)CC1 ZINC000191118587 1036341111 /nfs/dbraw/zinc/34/11/11/1036341111.db2.gz ZWXNGWPUPHMRBX-UHFFFAOYSA-N 0 0 339.476 3.520 10 0 EHAERN Cc1nc([C@H](C)N2CCCN(C)C(=O)C2)oc1-c1ccc(Cl)cc1 ZINC000191129356 1036341276 /nfs/dbraw/zinc/34/12/76/1036341276.db2.gz ASHCPZZKNXXKTD-ZDUSSCGKSA-N 0 0 347.846 3.529 10 0 EHAERN Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCCN(C)C(=O)C1 ZINC000191920604 1036445109 /nfs/dbraw/zinc/44/51/09/1036445109.db2.gz JDWAJMZEEBJMIV-UHFFFAOYSA-N 0 0 349.500 3.582 10 0 EHAERN C[C@H](c1nc(C2CC2)no1)N1CC2(CCOCC2)c2ccccc21 ZINC000192286484 1036492478 /nfs/dbraw/zinc/49/24/78/1036492478.db2.gz QPTKPHYPQCQWFY-CYBMUJFWSA-N 0 0 325.412 3.576 10 0 EHAERN CC(C)c1csc(NC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)n1 ZINC000192744848 1036546207 /nfs/dbraw/zinc/54/62/07/1036546207.db2.gz UMXMNFDFUASVLY-LBPRGKRZSA-N 0 0 344.440 3.514 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)NC2(Cc3cccc(F)c3)CCC2)C[C@H](C)O1 ZINC000332926244 1036576127 /nfs/dbraw/zinc/57/61/27/1036576127.db2.gz KDWLQIXOVKUZNR-SCAQPMJSSA-N 0 0 348.462 3.794 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1ccc(C)cc1)C2 ZINC000193403496 1036598001 /nfs/dbraw/zinc/59/80/01/1036598001.db2.gz GFGHDDPSXILXRC-ZHACJKMWSA-N 0 0 334.419 3.552 10 0 EHAERN CCOCCOCC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000102625414 1036752564 /nfs/dbraw/zinc/75/25/64/1036752564.db2.gz ZNRUXGHTWLCWGX-UHFFFAOYSA-N 0 0 347.842 3.676 10 0 EHAERN C[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000102848727 1036778048 /nfs/dbraw/zinc/77/80/48/1036778048.db2.gz KFLGEFDNSYTVDK-GFCCVEGCSA-N 0 0 330.815 3.533 10 0 EHAERN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000132394088 1036846676 /nfs/dbraw/zinc/84/66/76/1036846676.db2.gz SJXXEWPCEBYYNG-SJORKVTESA-N 0 0 345.830 3.514 10 0 EHAERN O=C(N[C@@H]1COc2ccccc21)N1CCCCC[C@@H]1c1ccncc1 ZINC000060586970 1036883665 /nfs/dbraw/zinc/88/36/65/1036883665.db2.gz UPTOMXPFDNNNMF-QZTJIDSGSA-N 0 0 337.423 3.842 10 0 EHAERN CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000106022664 1037280273 /nfs/dbraw/zinc/28/02/73/1037280273.db2.gz GKIBUVZGCQHALF-INIZCTEOSA-N 0 0 331.362 3.883 10 0 EHAERN CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000106022665 1037280403 /nfs/dbraw/zinc/28/04/03/1037280403.db2.gz GKIBUVZGCQHALF-MRXNPFEDSA-N 0 0 331.362 3.883 10 0 EHAERN CCCCOCCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103179440 1037588521 /nfs/dbraw/zinc/58/85/21/1037588521.db2.gz XVUJIDLRGRCJNR-IBGZPJMESA-N 0 0 341.455 3.677 10 0 EHAERN CCc1nnc(NC(=O)N[C@H](c2ccco2)c2ccccc2)s1 ZINC000104976931 1037599111 /nfs/dbraw/zinc/59/91/11/1037599111.db2.gz GWORXELLJSODIA-AWEZNQCLSA-N 0 0 328.397 3.605 10 0 EHAERN O=C1Nc2ccccc2S[C@@H]1Cc1nc(C2CCCCC2)no1 ZINC000109528765 1037669780 /nfs/dbraw/zinc/66/97/80/1037669780.db2.gz DBIZSEKMAILENR-CQSZACIVSA-N 0 0 329.425 3.773 10 0 EHAERN CCn1cnnc1[C@@H]1CCCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000110752173 1037719734 /nfs/dbraw/zinc/71/97/34/1037719734.db2.gz YFEJENWMIVXVOJ-GVDBMIGSSA-N 0 0 346.519 3.857 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000112722932 1037768335 /nfs/dbraw/zinc/76/83/35/1037768335.db2.gz LBTZBPDZADVFFO-CYBMUJFWSA-N 0 0 326.444 3.641 10 0 EHAERN Cc1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000114824468 1037810114 /nfs/dbraw/zinc/81/01/14/1037810114.db2.gz VAAZQFMRDIFPAW-MRXNPFEDSA-N 0 0 329.469 3.849 10 0 EHAERN COCc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114808931 1037811675 /nfs/dbraw/zinc/81/16/75/1037811675.db2.gz UCERWXHVVNUGDX-ZDUSSCGKSA-N 0 0 331.441 3.701 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(C)c(F)c3)CC2)n1 ZINC000116997053 1037847190 /nfs/dbraw/zinc/84/71/90/1037847190.db2.gz GNIJLQNYTWNTIW-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN CC(C)c1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)no1 ZINC000119460443 1037902320 /nfs/dbraw/zinc/90/23/20/1037902320.db2.gz SPLKUUQAAHPHLL-UHFFFAOYSA-N 0 0 331.391 3.654 10 0 EHAERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000332970976 1037965557 /nfs/dbraw/zinc/96/55/57/1037965557.db2.gz CLGMJEIQIAYZSY-SOUVJXGZSA-N 0 0 349.356 3.726 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccn3C(C)C)C2)c1 ZINC000123781470 1038074711 /nfs/dbraw/zinc/07/47/11/1038074711.db2.gz KTUBCORXDPOUOC-OAHLLOKOSA-N 0 0 342.439 3.716 10 0 EHAERN CC(C)c1cc(C(=O)N2CCS[C@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000408063460 1038121239 /nfs/dbraw/zinc/12/12/39/1038121239.db2.gz VLDVEYVARMGHDI-CYBMUJFWSA-N 0 0 346.500 3.713 10 0 EHAERN Cc1nc([C@@H](NC(=O)N(C)C2CCCCC2)c2ccccc2F)no1 ZINC000124177249 1038148107 /nfs/dbraw/zinc/14/81/07/1038148107.db2.gz DLTKXQQEFMVDBT-INIZCTEOSA-N 0 0 346.406 3.581 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)c2ccccc21 ZINC000124871141 1039069747 /nfs/dbraw/zinc/06/97/47/1039069747.db2.gz CSTFKLHZEZZASA-BFUOFWGJSA-N 0 0 336.435 3.622 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2ccccc21 ZINC000152668888 1039235125 /nfs/dbraw/zinc/23/51/25/1039235125.db2.gz VNQAZRZJHSWQCT-FYINFDKHSA-N 0 0 342.483 3.746 10 0 EHAERN CN(C(=O)N[C@@H]1c2ccccc2CCC1(C)C)C1CCC(CO)CC1 ZINC000153002369 1039360010 /nfs/dbraw/zinc/36/00/10/1039360010.db2.gz KIEZUUFGCDOODO-GXOAENINSA-N 0 0 344.499 3.893 10 0 EHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000094055786 1039741853 /nfs/dbraw/zinc/74/18/53/1039741853.db2.gz WQHOGWGAIPWQQC-COLVAYQJSA-N 0 0 342.361 3.633 10 0 EHAERN C[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000151318162 1040010684 /nfs/dbraw/zinc/01/06/84/1040010684.db2.gz JPIJJAZVDBVFOF-NBQZKYEYSA-N 0 0 327.424 3.690 10 0 EHAERN Cc1ccccc1C(C)(C)CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119397192 1040075070 /nfs/dbraw/zinc/07/50/70/1040075070.db2.gz QLMHANCHUQCUIL-UTKZUKDTSA-N 0 0 344.499 3.609 10 0 EHAERN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cn(C)nc2C)cc1 ZINC000189682445 1040277620 /nfs/dbraw/zinc/27/76/20/1040277620.db2.gz KBWWOICSQYSSDL-SFHVURJKSA-N 0 0 342.443 3.886 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1nnc2ccccn21 ZINC000245739048 1040507644 /nfs/dbraw/zinc/50/76/44/1040507644.db2.gz UNHPSNSMQGQXFJ-YHUYYLMFSA-N 0 0 326.444 3.513 10 0 EHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)c3nnc(-c4cccs4)o3)C2)c1 ZINC000105900433 1040908496 /nfs/dbraw/zinc/90/84/96/1040908496.db2.gz XMSUAMLXHNZEOL-UONOGXRCSA-N 0 0 343.456 3.701 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000333020329 1040992614 /nfs/dbraw/zinc/99/26/14/1040992614.db2.gz IRVBDGUZDOPOBU-HOTGVXAUSA-N 0 0 348.512 3.800 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc3c2CCO3)cs1 ZINC000333132616 1041336575 /nfs/dbraw/zinc/33/65/75/1041336575.db2.gz IYQQYIACAUKERZ-HNNXBMFYSA-N 0 0 329.425 3.755 10 0 EHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@@]1(C)CC1(Cl)Cl)CCC2 ZINC000110526077 1041516618 /nfs/dbraw/zinc/51/66/18/1041516618.db2.gz WEUSLRUODGJZPL-GXFFZTMASA-N 0 0 333.284 3.871 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000408111303 1041684582 /nfs/dbraw/zinc/68/45/82/1041684582.db2.gz CVTDRAODJVTSDC-WGGXSYPISA-N 0 0 338.398 3.673 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2nnc(CC3CCCCC3)s2)C[C@H](C)O1 ZINC000247230997 1042075030 /nfs/dbraw/zinc/07/50/30/1042075030.db2.gz WHTKEXYOPNCQGA-DABQJJPHSA-N 0 0 337.489 3.803 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000408175307 1042119120 /nfs/dbraw/zinc/11/91/20/1042119120.db2.gz RWMNIJOKJOVHBH-YLVFBTJISA-N 0 0 333.407 3.827 10 0 EHAERN O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408189849 1042319013 /nfs/dbraw/zinc/31/90/13/1042319013.db2.gz YLBBAFSSAPWJSG-JXFKEZNVSA-N 0 0 339.439 3.841 10 0 EHAERN CC(C)(O)[C@@H]1CCCN1C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000408211060 1042582830 /nfs/dbraw/zinc/58/28/30/1042582830.db2.gz MKTZKMZWCHTIOT-BCLQGDPASA-N 0 0 336.863 3.531 10 0 EHAERN CC(=O)Nc1cccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000162459182 1042729725 /nfs/dbraw/zinc/72/97/25/1042729725.db2.gz MMSPLEXRUXDKOU-DJJJIMSYSA-N 0 0 349.438 3.512 10 0 EHAERN CC[C@@H](N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1OC ZINC000162622341 1042740639 /nfs/dbraw/zinc/74/06/39/1042740639.db2.gz HBIPQPZMYKAVSH-MJGOQNOKSA-N 0 0 336.439 3.952 10 0 EHAERN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000330266082 1042750549 /nfs/dbraw/zinc/75/05/49/1042750549.db2.gz PTYSOGHOUOMALB-NZVBXONLSA-N 0 0 333.819 3.608 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cn1 ZINC000247384615 1042929141 /nfs/dbraw/zinc/92/91/41/1042929141.db2.gz PIOPBEYGESIWCI-HDMKZQKVSA-N 0 0 332.492 3.617 10 0 EHAERN C[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000408278713 1042938957 /nfs/dbraw/zinc/93/89/57/1042938957.db2.gz VFPKQNXNBYJGID-VNQPRFMTSA-N 0 0 344.484 3.757 10 0 EHAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000408356048 1043641764 /nfs/dbraw/zinc/64/17/64/1043641764.db2.gz PACKVXWFFCXPAR-BZSNNMDCSA-N 0 0 346.519 3.599 10 0 EHAERN O=C(c1c(F)cc(F)cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000163552872 1043970443 /nfs/dbraw/zinc/97/04/43/1043970443.db2.gz AOBQPBLAMNYCSG-SECBINFHSA-N 0 0 326.343 3.580 10 0 EHAERN O=C(N[C@H]1CCCc2ccc(F)cc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000279843522 1044736588 /nfs/dbraw/zinc/73/65/88/1044736588.db2.gz RFEHGAGFUMQJJC-ROUUACIJSA-N 0 0 342.418 3.863 10 0 EHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000104769265 1127896288 /nfs/dbraw/zinc/89/62/88/1127896288.db2.gz ADXOHSIJICGMNW-ZDUSSCGKSA-N 0 0 339.222 3.719 10 0 EHAERN CCOc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1C ZINC000268898638 1128724635 /nfs/dbraw/zinc/72/46/35/1128724635.db2.gz KZMGOOHDYMIUQC-KXBFYZLASA-N 0 0 332.444 3.553 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)NOCc2ccccc2)cc1C ZINC000101605697 1135360756 /nfs/dbraw/zinc/36/07/56/1135360756.db2.gz JNKHUITUWCUNGJ-UHFFFAOYSA-N 0 0 328.412 3.585 10 0 EHAERN COc1ccccc1CC1CCN(Cc2ncc(Cl)n2C)CC1 ZINC000102410439 1135550284 /nfs/dbraw/zinc/55/02/84/1135550284.db2.gz WWZZRYFTGCSLJV-UHFFFAOYSA-N 0 0 333.863 3.537 10 0 EHAERN Cc1noc(CCNC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000101619040 1137871048 /nfs/dbraw/zinc/87/10/48/1137871048.db2.gz BXUMWFHNXLTDNN-GOSISDBHSA-N 0 0 344.459 3.740 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2F)cc1 ZINC000102251938 1137872580 /nfs/dbraw/zinc/87/25/80/1137872580.db2.gz FFALBBLUXNZSJV-DOMZBBRYSA-N 0 0 326.371 3.697 10 0 EHAERN CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(C)[nH]c1=O ZINC000102613849 1137873466 /nfs/dbraw/zinc/87/34/66/1137873466.db2.gz JNNVKXQYOYLSGI-UHFFFAOYSA-N 0 0 332.831 3.779 10 0 EHAERN CC[C@@H]1CN(C(=O)Nc2ncc(OC)cn2)CC[C@@H]1c1ccccc1 ZINC000333233925 1137958937 /nfs/dbraw/zinc/95/89/37/1137958937.db2.gz YPJVDVNBMZRWGL-PBHICJAKSA-N 0 0 340.427 3.533 10 0 EHAERN CC(C)(C)[C@@H]1OCC[C@H]1c1noc(-c2cc3c(s2)CCOC3)n1 ZINC000333362395 1138281356 /nfs/dbraw/zinc/28/13/56/1138281356.db2.gz DCMQYXWGKZIWBW-BXUZGUMPSA-N 0 0 334.441 3.789 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)CCc2cccn2C)cs1 ZINC000186894732 1140227308 /nfs/dbraw/zinc/22/73/08/1140227308.db2.gz WCXKPXZGCJHEHR-DYVFJYSZSA-N 0 0 346.500 3.658 10 0 EHAERN COc1ccccc1CCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187013992 1140232539 /nfs/dbraw/zinc/23/25/39/1140232539.db2.gz BAYIRMVUHSIXQO-INIZCTEOSA-N 0 0 330.453 3.756 10 0 EHAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187086227 1140237414 /nfs/dbraw/zinc/23/74/14/1140237414.db2.gz RPQAGMQUCDQXEU-INIZCTEOSA-N 0 0 347.415 3.526 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nccn2CC(F)(F)F)cs1 ZINC000189805891 1140364148 /nfs/dbraw/zinc/36/41/48/1140364148.db2.gz NQGBSIHFAGRLLB-LBPRGKRZSA-N 0 0 330.379 3.547 10 0 EHAERN Nc1ccc(F)c(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000035651408 201756608 /nfs/dbraw/zinc/75/66/08/201756608.db2.gz LVJUJXPBEIYCJX-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN NC(=S)c1ccnc(Oc2ccc(Br)cc2Cl)c1 ZINC000020372976 202040243 /nfs/dbraw/zinc/04/02/43/202040243.db2.gz GEOMUDWOQLFEDL-UHFFFAOYSA-N 0 0 343.633 3.924 10 0 EHAERN CCC(=O)Nc1ccc(C(=O)Nc2cccc(OC(=O)CC)c2)cc1 ZINC000021026037 202061501 /nfs/dbraw/zinc/06/15/01/202061501.db2.gz WHIPFUXMFRVMNM-UHFFFAOYSA-N 0 0 340.379 3.603 10 0 EHAERN COCCCNC(=O)c1c(C)noc1-c1ccc(C(C)(C)C)cc1 ZINC000022337041 202083003 /nfs/dbraw/zinc/08/30/03/202083003.db2.gz VUYMYXXOSXBHIM-UHFFFAOYSA-N 0 0 330.428 3.714 10 0 EHAERN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(N)ccc1Cl ZINC000038033782 202091344 /nfs/dbraw/zinc/09/13/44/202091344.db2.gz NMNSDXQPIZCVBL-UHFFFAOYSA-N 0 0 331.224 3.685 10 0 EHAERN Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC=O)nc2n1 ZINC000027328443 202154321 /nfs/dbraw/zinc/15/43/21/202154321.db2.gz WCXLUZKOPUBZFM-UHFFFAOYSA-N 0 0 333.178 3.875 10 0 EHAERN COc1cc2c(N[C@@H](C)c3ccccc3)ncnc2c(OC)c1OC ZINC000028650365 202174198 /nfs/dbraw/zinc/17/41/98/202174198.db2.gz QKQJJSCIWKGTLU-LBPRGKRZSA-N 0 0 339.395 3.829 10 0 EHAERN O=c1nc2c(c[nH]1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2 ZINC000029340093 202185579 /nfs/dbraw/zinc/18/55/79/202185579.db2.gz CNKQLMWVYUANEB-UHFFFAOYSA-N 0 0 339.757 3.580 10 0 EHAERN CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc21 ZINC000032607320 202228955 /nfs/dbraw/zinc/22/89/55/202228955.db2.gz YDGPHRDJLNEUJY-UHFFFAOYSA-N 0 0 328.318 3.552 10 0 EHAERN Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)c(C)c3)C2=O)cc1C ZINC000034697057 202275046 /nfs/dbraw/zinc/27/50/46/202275046.db2.gz SLJUEFYCHWEGGY-KRWDZBQOSA-N 0 0 340.398 3.743 10 0 EHAERN CCCCS(=O)(=O)Nc1ccc(Oc2ccc(F)c(F)c2)nc1 ZINC000034840449 202278739 /nfs/dbraw/zinc/27/87/39/202278739.db2.gz RCUYMVJTRZEMJU-UHFFFAOYSA-N 0 0 342.367 3.694 10 0 EHAERN CC[C@H](C)NC(=O)c1csc(COc2ccc(C)cc2OC)n1 ZINC000036084098 202313509 /nfs/dbraw/zinc/31/35/09/202313509.db2.gz OCINYRJSYDFMJT-LBPRGKRZSA-N 0 0 334.441 3.567 10 0 EHAERN C[C@H]1C[C@H](C)CN(C(=O)c2cc(Br)cn2C2CC2)C1 ZINC000036859959 202332906 /nfs/dbraw/zinc/33/29/06/202332906.db2.gz UNKXDMJRGUNFIO-QWRGUYRKSA-N 0 0 325.250 3.704 10 0 EHAERN CCOC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 ZINC000036817057 202332121 /nfs/dbraw/zinc/33/21/21/202332121.db2.gz KBTCGHDOZXKYQP-UHFFFAOYSA-N 0 0 344.205 3.973 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](Nc2nc3ccccc3nc2Cl)C1 ZINC000073735981 202367536 /nfs/dbraw/zinc/36/75/36/202367536.db2.gz GAZHUAZEOPMYPT-NSHDSACASA-N 0 0 348.834 3.705 10 0 EHAERN NC(=O)[C@H](Nc1cccc(Br)c1)c1ccccc1Cl ZINC000037944492 202379176 /nfs/dbraw/zinc/37/91/76/202379176.db2.gz QWMPIMKDZZLCOM-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000073655033 202370388 /nfs/dbraw/zinc/37/03/88/202370388.db2.gz BKAOGRHFXDDISZ-GDBMZVCRSA-N 0 0 348.443 3.763 10 0 EHAERN C[C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000073656838 202370394 /nfs/dbraw/zinc/37/03/94/202370394.db2.gz CEFZBGIKFDOJDH-STQMWFEESA-N 0 0 328.453 3.641 10 0 EHAERN Cc1ccc(CN(C(=O)c2cc(Br)c[nH]2)C(C)C)o1 ZINC000037845602 202370801 /nfs/dbraw/zinc/37/08/01/202370801.db2.gz QESCGWNVXOXTCG-UHFFFAOYSA-N 0 0 325.206 3.729 10 0 EHAERN CCOC(=O)[C@@H](N[C@H](C)CC)c1ccc(Br)cc1F ZINC000038067960 202391722 /nfs/dbraw/zinc/39/17/22/202391722.db2.gz MHRVXMLEMBJXTQ-RNCFNFMXSA-N 0 0 332.213 3.581 10 0 EHAERN Cc1c(Cl)cccc1NC(=O)Cn1ccc(=O)c2cccc(F)c21 ZINC000039963436 202416276 /nfs/dbraw/zinc/41/62/76/202416276.db2.gz RUWCALLEBZSJSO-UHFFFAOYSA-N 0 0 344.773 3.741 10 0 EHAERN CCCc1c(C(=O)NC2CCCCC2)nnn1-c1ccc(Cl)cc1 ZINC000040179946 202428756 /nfs/dbraw/zinc/42/87/56/202428756.db2.gz ZRASGLWRZAGQFP-UHFFFAOYSA-N 0 0 346.862 3.936 10 0 EHAERN CCc1ccccc1NC(=S)NC(=O)CCCOc1ccccc1 ZINC000040899973 202467943 /nfs/dbraw/zinc/46/79/43/202467943.db2.gz GXYHSHRUORFYGJ-UHFFFAOYSA-N 0 0 342.464 3.921 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3Cl)n2)cc1 ZINC000057341818 201138460 /nfs/dbraw/zinc/13/84/60/201138460.db2.gz GJRNCLWQUXIONE-UHFFFAOYSA-N 0 0 345.761 3.982 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)c(F)cc3F)n2)cc1 ZINC000057341834 201138813 /nfs/dbraw/zinc/13/88/13/201138813.db2.gz DTMJZDVJLGMHAW-UHFFFAOYSA-N 0 0 347.296 3.606 10 0 EHAERN COc1cc(C=Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc(OC)c1 ZINC000090516203 201371869 /nfs/dbraw/zinc/37/18/69/201371869.db2.gz CGPLHXJZZFOBOV-ZZXKWVIFSA-N 0 0 342.782 3.764 10 0 EHAERN COc1c2ccc(F)cc2ncc1S(=O)(=O)c1ccc(C)cc1 ZINC000085345632 202614835 /nfs/dbraw/zinc/61/48/35/202614835.db2.gz OSILCQBGPAGAMI-UHFFFAOYSA-N 0 0 331.368 3.524 10 0 EHAERN Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000022216243 212283108 /nfs/dbraw/zinc/28/31/08/212283108.db2.gz MIVTZWQAHARRIB-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN C[Si](C)(C)[C@]12C[C@H]1CCN2C(=O)c1ccc(Br)cc1 ZINC000195814073 241034368 /nfs/dbraw/zinc/03/43/68/241034368.db2.gz AMPMAEGMFLVNFP-IUODEOHRSA-N 0 0 338.321 3.931 10 0 EHAERN CCCC[C@H]1C(C(=O)Nc2ccccc2)=C(C)NC(C)=C1C(=O)OC ZINC000196207893 241035092 /nfs/dbraw/zinc/03/50/92/241035092.db2.gz PGBDVQXTIKYPOF-INIZCTEOSA-N 0 0 342.439 3.756 10 0 EHAERN C[C@H]1CCc2c(CCNC(=O)NCCc3ccccc3)csc2C1 ZINC000021088491 212205184 /nfs/dbraw/zinc/20/51/84/212205184.db2.gz MGAWLHKYYBYLKO-HNNXBMFYSA-N 0 0 342.508 3.957 10 0 EHAERN CCCN(C)C(=O)CCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000065171093 202826894 /nfs/dbraw/zinc/82/68/94/202826894.db2.gz BTEAPSMHHDIORW-UHFFFAOYSA-N 0 0 333.863 3.944 10 0 EHAERN O=C(CN(Cc1cscn1)c1ccccc1)NCc1cccs1 ZINC000069920375 203063510 /nfs/dbraw/zinc/06/35/10/203063510.db2.gz VOSCQIJPKBXLLQ-UHFFFAOYSA-N 0 0 343.477 3.528 10 0 EHAERN CC(=O)N1CCC(COc2ccc(Cl)cc2Br)CC1 ZINC000070015379 203070858 /nfs/dbraw/zinc/07/08/58/203070858.db2.gz DQOKKKUGRLJRMS-UHFFFAOYSA-N 0 0 346.652 3.740 10 0 EHAERN CCOC(=O)C=C(Nc1ccc(OC)cc1N)c1ccccc1Cl ZINC000072236453 203184118 /nfs/dbraw/zinc/18/41/18/203184118.db2.gz LVGBNBDROVQUIR-GZTJUZNOSA-N 0 0 346.814 3.947 10 0 EHAERN CCc1nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2n1 ZINC000072439914 203224563 /nfs/dbraw/zinc/22/45/63/203224563.db2.gz WBKGKWYGZWYPNX-UHFFFAOYSA-N 0 0 330.391 3.933 10 0 EHAERN CCCCCN1CN(c2ccccc2)c2nc(C)c(CC)c(=O)n2C1 ZINC000072441713 203225576 /nfs/dbraw/zinc/22/55/76/203225576.db2.gz LRXYXDIZONAOEW-UHFFFAOYSA-N 0 0 340.471 3.673 10 0 EHAERN Cc1ccc(OCCC(=O)Nc2ccccc2N)c(Br)c1 ZINC000020077815 212099863 /nfs/dbraw/zinc/09/98/63/212099863.db2.gz MUCQSDZSBNVRLD-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN C[C@H](Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Br)cc1 ZINC000019966449 212090313 /nfs/dbraw/zinc/09/03/13/212090313.db2.gz AUOUXZHYSIWJGP-VIFPVBQESA-N 0 0 345.196 3.506 10 0 EHAERN NC(=S)c1ccccc1OCc1ccc(F)cc1Br ZINC000019489295 212032452 /nfs/dbraw/zinc/03/24/52/212032452.db2.gz ZUAAERDPCYAONU-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN Cc1cc(C)cc(C(=O)Cc2ccnc(C(=O)OC(C)(C)C)c2N)c1 ZINC000095934808 203769326 /nfs/dbraw/zinc/76/93/26/203769326.db2.gz RRUISYQZAMXCDC-UHFFFAOYSA-N 0 0 340.423 3.661 10 0 EHAERN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000103586588 204083379 /nfs/dbraw/zinc/08/33/79/204083379.db2.gz AVOHCDLQBWDQOF-CEXWTWQISA-N 0 0 345.483 3.739 10 0 in-vitro EHAERN Cc1c(Cl)ncnc1N(C)Cc1cc(Br)cs1 ZINC000104205772 204099868 /nfs/dbraw/zinc/09/98/68/204099868.db2.gz CLKSLPVMEUEKDH-UHFFFAOYSA-N 0 0 332.654 3.899 10 0 EHAERN CC(=O)c1ccc(N(C)C[C@@H]2CCCOC2)c(Br)c1 ZINC000104192561 204100863 /nfs/dbraw/zinc/10/08/63/204100863.db2.gz CNSNHWYAVLHFPB-LBPRGKRZSA-N 0 0 326.234 3.515 10 0 EHAERN C[C@H](NC(=O)c1sccc1Br)c1ccc(N)cc1 ZINC000104293974 204104627 /nfs/dbraw/zinc/10/46/27/204104627.db2.gz SOBNYAWQDFVHLO-QMMMGPOBSA-N 0 0 325.231 3.584 10 0 EHAERN Cc1ccc2cc(Br)c(I)cc2n1 ZINC000169265767 206547520 /nfs/dbraw/zinc/54/75/20/206547520.db2.gz OGSUHSMHHAAQKI-UHFFFAOYSA-N 0 0 347.981 3.910 10 0 EHAERN CC(=O)c1ccc(Cl)c(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000000098838 257951502 /nfs/dbraw/zinc/95/15/02/257951502.db2.gz XKSIBISQGQVTPJ-UHFFFAOYSA-N 0 0 330.796 3.904 10 0 EHAERN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000122087022 222011473 /nfs/dbraw/zinc/01/14/73/222011473.db2.gz UGWZYPCCWCBEBE-LSDHHAIUSA-N 0 0 326.396 3.504 10 0 EHAERN CC(=O)NCCCCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000042161872 519655623 /nfs/dbraw/zinc/65/56/23/519655623.db2.gz SMNXPLHTEUQNEV-HNNXBMFYSA-N 0 0 326.440 3.714 10 0 EHAERN C[C@H](NC(=O)CCCc1ccc(Br)s1)[C@H]1CCCO1 ZINC000027881587 524931730 /nfs/dbraw/zinc/93/17/30/524931730.db2.gz PYHOLOWEXYYLTK-CMPLNLGQSA-N 0 0 346.290 3.517 10 0 EHAERN Cc1csc(-c2cccc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c2)n1 ZINC000041315453 526304314 /nfs/dbraw/zinc/30/43/14/526304314.db2.gz HGGOLBGLGZASCF-DLBZAZTESA-N 0 0 342.464 3.902 10 0 EHAERN Cc1cc(CCCCCOc2ccc(C3=N[C@H](C)CO3)cc2)on1 ZINC000001530457 560181362 /nfs/dbraw/zinc/18/13/62/560181362.db2.gz UXIYKMARWUSIKU-OAHLLOKOSA-N 0 0 328.412 3.940 10 0 in-vitro EHAERN C[C@H](Nc1ccccc1I)c1nccs1 ZINC000083142612 563973353 /nfs/dbraw/zinc/97/33/53/563973353.db2.gz LUTZGEOGZIJIFF-QMMMGPOBSA-N 0 0 330.194 3.921 10 0 EHAERN Brc1ccc2nc(I)sc2c1 ZINC000095093393 563976664 /nfs/dbraw/zinc/97/66/64/563976664.db2.gz BKEJBIDIIKBSFD-UHFFFAOYSA-N 0 0 339.983 3.663 10 0 EHAERN Cc1ccccc1Cn1c(=O)cccc1-c1nc(-c2ccccc2)no1 ZINC000065150214 564101812 /nfs/dbraw/zinc/10/18/12/564101812.db2.gz BINBCYFROMMVIA-UHFFFAOYSA-N 0 0 343.386 3.922 10 0 EHAERN Cc1nc(NC(=O)[C@@H]2CSCCS2)c(-c2ccccc2)s1 ZINC000170595458 564109075 /nfs/dbraw/zinc/10/90/75/564109075.db2.gz SNZZFIACISQZBI-LBPRGKRZSA-N 0 0 336.507 3.906 10 0 EHAERN CC(C)c1nc2cccnc2n1C1CCN(C(=O)c2ccoc2)CC1 ZINC000299782357 564150711 /nfs/dbraw/zinc/15/07/11/564150711.db2.gz XFOGBHIJQOXBLE-UHFFFAOYSA-N 0 0 338.411 3.625 10 0 EHAERN CC(C)(C)OC(=O)NCCC(=O)c1cscc1Br ZINC000405588316 564177594 /nfs/dbraw/zinc/17/75/94/564177594.db2.gz IBPITOPWFRSUFW-UHFFFAOYSA-N 0 0 334.235 3.608 10 0 EHAERN Cc1ccc(C[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1Br ZINC000711616817 977556667 /nfs/dbraw/zinc/55/66/67/977556667.db2.gz NSSSSJSEJMRZCG-ZBFHGGJFSA-N 0 0 338.245 3.587 10 0 EHAERN CCOC[C@H](C)Nc1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000182717683 1032123689 /nfs/dbraw/zinc/12/36/89/1032123689.db2.gz FQJUTGGXCZUPGY-HNNXBMFYSA-N 0 0 328.460 3.817 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1csc2c1CCCC2 ZINC000152182270 1016023388 /nfs/dbraw/zinc/02/33/88/1016023388.db2.gz PXEDIXWIRPGKKK-AWEZNQCLSA-N 0 0 344.484 3.607 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C(C)(C)c1ccccc1 ZINC000138838229 1016393201 /nfs/dbraw/zinc/39/32/01/1016393201.db2.gz AVUWFLAKJCHNTC-CDXJDZJCSA-N 0 0 344.499 3.689 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@@H](C)C[C@H](C)C1)c1nnc2n1CCCCC2 ZINC000407969685 1016573413 /nfs/dbraw/zinc/57/34/13/1016573413.db2.gz JJVBNOWFLZQXPA-PMPSAXMXSA-N 0 0 347.507 3.533 10 0 EHAERN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180492330 1016899147 /nfs/dbraw/zinc/89/91/47/1016899147.db2.gz BKXMPPFWXMGJFJ-GOEBONIOSA-N 0 0 345.487 3.628 10 0 EHAERN CC1(C)CCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180883148 1016907659 /nfs/dbraw/zinc/90/76/59/1016907659.db2.gz XQMZCGCKONOSGA-OWCLPIDISA-N 0 0 338.398 3.673 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)[C@@H](c2ccco2)C1 ZINC000246352581 1017061349 /nfs/dbraw/zinc/06/13/49/1017061349.db2.gz PJJWJGVLRISTCO-VNQPRFMTSA-N 0 0 326.396 3.896 10 0 EHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)[C@H]2Oc3ccccc3[C@H]2C)CCO1 ZINC000183387340 1032167165 /nfs/dbraw/zinc/16/71/65/1032167165.db2.gz SGVYMUGFAQZCIA-MDUILUSMSA-N 0 0 331.456 3.651 10 0 EHAERN C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1cccc(O)c1 ZINC000183985607 1032221416 /nfs/dbraw/zinc/22/14/16/1032221416.db2.gz JFPDFYANTINZNN-LBPRGKRZSA-N 0 0 329.377 3.582 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183885242 1032236126 /nfs/dbraw/zinc/23/61/26/1032236126.db2.gz BBOMROUGSUZPIO-VQTJNVASSA-N 0 0 343.430 3.872 10 0 EHAERN Cc1nc2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2o1 ZINC000246847409 1032398250 /nfs/dbraw/zinc/39/82/50/1032398250.db2.gz QNKJIXMTLYPZIH-IAOVAPTHSA-N 0 0 341.411 3.605 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)CC2=CCCCC2)c2ccc(F)cc2C1 ZINC000185528495 1032438278 /nfs/dbraw/zinc/43/82/78/1032438278.db2.gz IVGDUWFVPDIALU-LJQANCHMSA-N 0 0 344.430 3.626 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185521295 1032438421 /nfs/dbraw/zinc/43/84/21/1032438421.db2.gz XFILDWPEDXOIKS-AUUYWEPGSA-N 0 0 348.462 3.808 10 0 EHAERN CCC[C@@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185530894 1032438872 /nfs/dbraw/zinc/43/88/72/1032438872.db2.gz COHCTNSYWBNZLP-IEBWSBKVSA-N 0 0 348.462 3.808 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)CC2CCCCC2)c2ccc(F)cc2C1 ZINC000185516951 1032438929 /nfs/dbraw/zinc/43/89/29/1032438929.db2.gz OILFOKRCROCXDV-LJQANCHMSA-N 0 0 346.446 3.706 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)C(C)(C)CC(C)C)c2ccc(F)cc2C1 ZINC000185539032 1032440372 /nfs/dbraw/zinc/44/03/72/1032440372.db2.gz VVXJBEQSGPPWAO-GOSISDBHSA-N 0 0 348.462 3.808 10 0 EHAERN C[C@@H]1COCC[C@@H]1C(=O)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588599745 1032452680 /nfs/dbraw/zinc/45/26/80/1032452680.db2.gz UHSBZNHMOACURJ-FWQWQBSGSA-N 0 0 328.330 3.934 10 0 EHAERN O=C(c1cccs1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000378614976 1017102268 /nfs/dbraw/zinc/10/22/68/1017102268.db2.gz ISWZSCCHLMVSJA-SJORKVTESA-N 0 0 326.465 3.627 10 0 EHAERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000159182746 1032672770 /nfs/dbraw/zinc/67/27/70/1032672770.db2.gz BRLVATVLBGHTHP-VXGBXAGGSA-N 0 0 337.851 3.694 10 0 EHAERN Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333208571 1018841061 /nfs/dbraw/zinc/84/10/61/1018841061.db2.gz PCRGKGGAKGDHSK-KXBFYZLASA-N 0 0 327.428 3.635 10 0 EHAERN C[C@@H]1CCCC[C@H]1c1noc(C2CN(C(=O)C3CCCCC3)C2)n1 ZINC000333373862 1019425872 /nfs/dbraw/zinc/42/58/72/1019425872.db2.gz AATAVHUIBUZHPF-CZUORRHYSA-N 0 0 331.460 3.869 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1F ZINC000333448587 1019609931 /nfs/dbraw/zinc/60/99/31/1019609931.db2.gz NFGGOGRTXVAHPX-BLLLJJGKSA-N 0 0 346.406 3.602 10 0 EHAERN O=C(/C=C\c1nc2ccccc2s1)NCc1ccc(Cl)cn1 ZINC000588384964 1019799606 /nfs/dbraw/zinc/79/96/06/1019799606.db2.gz JEGCNXAQUDMMNY-FPLPWBNLSA-N 0 0 329.812 3.674 10 0 EHAERN O=C(/C=C\c1cncc(F)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000588385830 1019842921 /nfs/dbraw/zinc/84/29/21/1019842921.db2.gz ZAXIZPXZBJSILC-WLMCBFPDSA-N 0 0 346.789 3.917 10 0 EHAERN C[C@H](OC(=O)/C=C\c1ccncn1)c1nc2ccccc2n1C(F)F ZINC000588403025 1020548242 /nfs/dbraw/zinc/54/82/42/1020548242.db2.gz SCOJWNCBSIYAOP-ZADCQDASSA-N 0 0 344.321 3.539 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)c1c(Cl)ccc(F)c1Cl ZINC000093372107 1032933320 /nfs/dbraw/zinc/93/33/20/1032933320.db2.gz UIFQEKXOGBIRQG-HOTUBEGUSA-N 0 0 349.233 3.606 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccn1 ZINC000588410592 1020859866 /nfs/dbraw/zinc/85/98/66/1020859866.db2.gz URTQVCFQXYLOGY-VURMDHGXSA-N 0 0 346.305 3.652 10 0 EHAERN O=C(/C=C\c1ccc(O)cc1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000588416042 1021025676 /nfs/dbraw/zinc/02/56/76/1021025676.db2.gz RNWNKEHHQTVDLC-YFWYWMRJSA-N 0 0 325.383 3.778 10 0 EHAERN CC(C)CC[C@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000078948088 1021622391 /nfs/dbraw/zinc/62/23/91/1021622391.db2.gz ZLFMXHWAVDWZLR-AWEZNQCLSA-N 0 0 336.501 3.541 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000123337374 1022331638 /nfs/dbraw/zinc/33/16/38/1022331638.db2.gz JNIPWHALDMZNKE-LJQANCHMSA-N 0 0 333.435 3.935 10 0 EHAERN C[C@H]1CSc2ccc(Cl)cc2N(C(=O)/C=C\c2ccncn2)C1 ZINC000588442098 1022465066 /nfs/dbraw/zinc/46/50/66/1022465066.db2.gz WLBZMTIFFUVMOI-KTLBGCOUSA-N 0 0 345.855 3.918 10 0 EHAERN O=C1CC[C@@H](NCc2nnc(-c3cccc(Cl)c3)o2)C2(CCC2)N1 ZINC000328708543 1022473834 /nfs/dbraw/zinc/47/38/34/1022473834.db2.gz QMOZMGVBJYHENB-CYBMUJFWSA-N 0 0 346.818 3.521 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)[nH]1 ZINC000328733259 1022490625 /nfs/dbraw/zinc/49/06/25/1022490625.db2.gz JLTXKHVDZZKGBA-TWMKSMIVSA-N 0 0 330.476 3.773 10 0 EHAERN COc1c(C)cc(CN(C)CC(=O)N[C@H](C)c2cccs2)cc1C ZINC000101566392 1022512097 /nfs/dbraw/zinc/51/20/97/1022512097.db2.gz YXHFXYYHYUPQIU-OAHLLOKOSA-N 0 0 346.496 3.683 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000588452826 1023029346 /nfs/dbraw/zinc/02/93/46/1023029346.db2.gz NKNBWDXCODYUCE-FPLPWBNLSA-N 0 0 338.798 3.881 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000588453718 1023043653 /nfs/dbraw/zinc/04/36/53/1023043653.db2.gz LVIDAZNQAWRHMK-FPLPWBNLSA-N 0 0 328.362 3.877 10 0 EHAERN Cc1csc([C@@H]2COCCN2C(=O)N[C@@H](C)c2cc(C)oc2C)n1 ZINC000190149869 1023257172 /nfs/dbraw/zinc/25/71/72/1023257172.db2.gz FXINKFODYAFTNR-WFASDCNBSA-N 0 0 349.456 3.505 10 0 EHAERN C[C@H](NC(=O)N(C)CC1CC(O)C1)c1c(Cl)ccc(F)c1Cl ZINC000190366311 1023289277 /nfs/dbraw/zinc/28/92/77/1023289277.db2.gz NKWXFPIBXOJYFT-IDKOKCKLSA-N 0 0 349.233 3.606 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000180555815 1023299230 /nfs/dbraw/zinc/29/92/30/1023299230.db2.gz FFIMLFIRQMPYCA-QWQRMKEZSA-N 0 0 326.444 3.761 10 0 EHAERN CC(C)Cc1nnc(NC(=O)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000191395744 1024090113 /nfs/dbraw/zinc/09/01/13/1024090113.db2.gz DEXBJADSVSBHNR-ZDUSSCGKSA-N 0 0 346.456 3.641 10 0 EHAERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[C@@H]1CCCCNC1=O ZINC000329818535 1024208169 /nfs/dbraw/zinc/20/81/69/1024208169.db2.gz FURSGZKEAXXURQ-STQMWFEESA-N 0 0 345.468 3.962 10 0 EHAERN CCO[C@H]1C[C@@H](Nc2ccc(NC(=O)C(C)C)cc2)C12CCOCC2 ZINC000329910170 1024246863 /nfs/dbraw/zinc/24/68/63/1024246863.db2.gz NAHCJBKIRKMRHY-MSOLQXFVSA-N 0 0 346.471 3.667 10 0 EHAERN Cc1oc2ccccc2c1CN1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O ZINC000330252746 1024372503 /nfs/dbraw/zinc/37/25/03/1024372503.db2.gz AGBYCHWCAUATNA-XKQJLSEDSA-N 0 0 338.407 3.837 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NCc3ccccc3Cl)CCO2)o1 ZINC000165805395 1024476195 /nfs/dbraw/zinc/47/61/95/1024476195.db2.gz DEGBIBWTBPAQRW-MRXNPFEDSA-N 0 0 334.803 3.525 10 0 EHAERN CSCc1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)ccc1F ZINC000151732101 1024514119 /nfs/dbraw/zinc/51/41/19/1024514119.db2.gz DQGIWIJGARZKSN-QGZVFWFLSA-N 0 0 349.427 3.804 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000281176620 1024705329 /nfs/dbraw/zinc/70/53/29/1024705329.db2.gz LOGJTEZXUPNNKP-GDAAHCPNSA-N 0 0 330.472 3.781 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H]1CCCc2occc21 ZINC000105142483 1024895500 /nfs/dbraw/zinc/89/55/00/1024895500.db2.gz HIFKBZUUAOTMRW-QGZVFWFLSA-N 0 0 327.428 3.716 10 0 EHAERN CCO[C@@H]1C[C@@H](OC(=O)/C=C(/C)c2cccc(F)c2)C12CCOCC2 ZINC000588492634 1024910773 /nfs/dbraw/zinc/91/07/73/1024910773.db2.gz FDJFJJIWIKHDTA-FGCJYXMVSA-N 0 0 348.414 3.746 10 0 EHAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000152120381 1025216164 /nfs/dbraw/zinc/21/61/64/1025216164.db2.gz WXNQIPBNOHOMIO-OAHLLOKOSA-N 0 0 337.467 3.531 10 0 EHAERN CN1CC[C@H](CNC(=O)/C=C/SCc2ccco2)c2ccccc21 ZINC000152163270 1025251626 /nfs/dbraw/zinc/25/16/26/1025251626.db2.gz YGLAWHFOJYJZQH-SAAWKEMMSA-N 0 0 342.464 3.766 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000152239965 1025414989 /nfs/dbraw/zinc/41/49/89/1025414989.db2.gz XHOZITPCYIOCLY-UHFFFAOYSA-N 0 0 331.504 3.808 10 0 EHAERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2cccc(Cl)c2)c1 ZINC000102695604 1025518884 /nfs/dbraw/zinc/51/88/84/1025518884.db2.gz MXTBBEQPAPNDPP-LBPRGKRZSA-N 0 0 348.830 3.647 10 0 EHAERN Cn1c(NC(=O)c2cc(F)c(F)c(F)c2)nc2cc(Cl)ccc21 ZINC000103003493 1025553722 /nfs/dbraw/zinc/55/37/22/1025553722.db2.gz MEUIKBXSOPKJKV-UHFFFAOYSA-N 0 0 339.704 3.896 10 0 EHAERN O=C(C1CC1)N1CCC[C@@H](c2nc(C(C3CCC3)C3CCC3)no2)C1 ZINC000329000981 1025565482 /nfs/dbraw/zinc/56/54/82/1025565482.db2.gz LCQMLHDLEJXNLC-MRXNPFEDSA-N 0 0 343.471 3.869 10 0 EHAERN Cc1noc([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(C(C)C)cc3)C2)n1 ZINC000329086413 1025594667 /nfs/dbraw/zinc/59/46/67/1025594667.db2.gz UQKQZZBHDRGKSN-KZNAEPCWSA-N 0 0 339.439 3.621 10 0 EHAERN Cc1noc([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C(C)C)cc3)C2)n1 ZINC000329086411 1025594676 /nfs/dbraw/zinc/59/46/76/1025594676.db2.gz UQKQZZBHDRGKSN-FGTMMUONSA-N 0 0 339.439 3.621 10 0 EHAERN CCc1csc([C@H]2CCCN(C(=O)N[C@@H](C)c3ccncc3)C2)n1 ZINC000113579705 1025649167 /nfs/dbraw/zinc/64/91/67/1025649167.db2.gz OBJKSANWYXCVCR-ZFWWWQNUSA-N 0 0 344.484 3.751 10 0 EHAERN O=C(NCc1cc(F)cc(Br)c1)[C@H]1C[C@H]1c1ccco1 ZINC000121961486 1026065072 /nfs/dbraw/zinc/06/50/72/1026065072.db2.gz MEJZKTFZCXMFHM-OLZOCXBDSA-N 0 0 338.176 3.601 10 0 EHAERN CC(C)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000103726176 1026122077 /nfs/dbraw/zinc/12/20/77/1026122077.db2.gz PVOQRFFJLMGFTM-UHFFFAOYSA-N 0 0 341.802 3.691 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000047923780 1026214200 /nfs/dbraw/zinc/21/42/00/1026214200.db2.gz JEORBDYABJNVTG-HOTGVXAUSA-N 0 0 346.814 3.779 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)NCc1ccc(Cl)cc1F ZINC000588524505 1026417760 /nfs/dbraw/zinc/41/77/60/1026417760.db2.gz QEWJUNMFFQGFGH-RJRFIUFISA-N 0 0 325.170 3.857 10 0 EHAERN CC[C@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccc2c(c1)CCO2 ZINC000167946777 1026617643 /nfs/dbraw/zinc/61/76/43/1026617643.db2.gz KOJUURAUHUDROI-DLBZAZTESA-N 0 0 340.471 3.912 10 0 EHAERN CN(CC1(c2ccccc2)CC1)C(=O)/C=C\c1ccnc(Cl)c1 ZINC000588538363 1026936540 /nfs/dbraw/zinc/93/65/40/1026936540.db2.gz QCDGQSVUJZBSRV-FPLPWBNLSA-N 0 0 326.827 3.938 10 0 EHAERN CN(c1nnc(Cc2ccc(F)cc2)s1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000302107145 1027054918 /nfs/dbraw/zinc/05/49/18/1027054918.db2.gz OCEFYQUNCHFZRI-IMJJTQAJSA-N 0 0 347.459 3.518 10 0 EHAERN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000125859524 1027133288 /nfs/dbraw/zinc/13/32/88/1027133288.db2.gz UVEAGOGSNYFJTN-USXIJHARSA-N 0 0 348.450 3.993 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C/C=C/c3ccc(F)cc3)CCO2)o1 ZINC000127129867 1027275355 /nfs/dbraw/zinc/27/53/55/1027275355.db2.gz HDNRYABCFPEUME-ZMUQKWFASA-N 0 0 329.371 3.731 10 0 EHAERN O=C(Nc1cc(F)ccc1F)NC1CCN(c2cccs2)CC1 ZINC000128643195 1027461804 /nfs/dbraw/zinc/46/18/04/1027461804.db2.gz SCYDNYJZLWYNLV-UHFFFAOYSA-N 0 0 337.395 3.817 10 0 EHAERN CC/C(=C/C(=O)N[C@@H](C)c1ccncc1OC)c1ccc(OC)cc1 ZINC000588550474 1027815197 /nfs/dbraw/zinc/81/51/97/1027815197.db2.gz VGAXLZGUMAEAML-UZFBZYOGSA-N 0 0 340.423 3.770 10 0 EHAERN COc1cccc(CNC(=O)N(C)CCc2cccc3ccccc32)n1 ZINC000102014074 1027841973 /nfs/dbraw/zinc/84/19/73/1027841973.db2.gz LBOISPGFSCIVRE-UHFFFAOYSA-N 0 0 349.434 3.628 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCCC[C@@H]1C(C)C)C2 ZINC000112748726 1027951741 /nfs/dbraw/zinc/95/17/41/1027951741.db2.gz GNPGHDUJVIKKMV-HZPDHXFCSA-N 0 0 346.519 3.826 10 0 EHAERN O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246223929 1028021035 /nfs/dbraw/zinc/02/10/35/1028021035.db2.gz WBGFBQLKGZHNQV-NSISKUIASA-N 0 0 338.451 3.564 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4c(cc(C)cc4C)[nH]3)CCO2)o1 ZINC000133599747 1028045443 /nfs/dbraw/zinc/04/54/43/1028045443.db2.gz NVOXULNKXAJLIN-IBGZPJMESA-N 0 0 338.407 3.900 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(F)c(Cl)cc1Cl ZINC000246249993 1028074704 /nfs/dbraw/zinc/07/47/04/1028074704.db2.gz YFKGIYQNZHTUFO-GFWSLJDESA-N 0 0 344.213 3.820 10 0 EHAERN CC(=O)Nc1cc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1C ZINC000246278851 1028145702 /nfs/dbraw/zinc/14/57/02/1028145702.db2.gz ZVVGYGAUCXYVTN-DFQSSKMNSA-N 0 0 349.434 3.803 10 0 EHAERN COc1cc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)ccc1F ZINC000153548745 1028157076 /nfs/dbraw/zinc/15/70/76/1028157076.db2.gz QKLOIKAFZQNBDL-SGTLLEGYSA-N 0 0 340.402 3.701 10 0 EHAERN O=C(NCCc1cccc(O)c1)N1CC=C(c2ccccc2F)CC1 ZINC000135071217 1028167582 /nfs/dbraw/zinc/16/75/82/1028167582.db2.gz NARSCTZSZAEDRO-UHFFFAOYSA-N 0 0 340.398 3.573 10 0 EHAERN O=C(/C=C/c1c(Cl)cccc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000153578996 1028235343 /nfs/dbraw/zinc/23/53/43/1028235343.db2.gz PJIWJDBFDGLAQQ-DWTRPJMMSA-N 0 0 326.223 3.646 10 0 EHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246368316 1028289496 /nfs/dbraw/zinc/28/94/96/1028289496.db2.gz HBQJQCKACVEJES-NTZUZEMLSA-N 0 0 331.431 3.676 10 0 EHAERN Cc1ccc(/C=C\CC(=O)Oc2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000588558227 1028298368 /nfs/dbraw/zinc/29/83/68/1028298368.db2.gz YHWZOXZDIICZKH-ARJAWSKDSA-N 0 0 333.391 3.799 10 0 EHAERN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(C=O)cc3)nc2c1 ZINC000066642444 1028335160 /nfs/dbraw/zinc/33/51/60/1028335160.db2.gz VTGJDNTUEKTLOS-GOSISDBHSA-N 0 0 333.391 3.661 10 0 EHAERN Cc1ccc2oc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2n1 ZINC000067048013 1028355286 /nfs/dbraw/zinc/35/52/86/1028355286.db2.gz LYQUUCLDCWZHBU-LBPRGKRZSA-N 0 0 327.409 3.613 10 0 EHAERN O=C(CCCc1nc2ccccc2s1)N[C@@H]1COc2ccccc21 ZINC000058726349 1028389862 /nfs/dbraw/zinc/38/98/62/1028389862.db2.gz DXBNZPLTMYAWPE-OAHLLOKOSA-N 0 0 338.432 3.869 10 0 EHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@@H](O)CC23CCC3)cc1 ZINC000333595402 1028391704 /nfs/dbraw/zinc/39/17/04/1028391704.db2.gz VSJUCPNCWJXYRF-CRAIPNDOSA-N 0 0 330.472 3.960 10 0 EHAERN Cc1cccc(OC(=O)C2CCN(C(=O)c3cccs3)CC2)c1C ZINC000060915616 1028421420 /nfs/dbraw/zinc/42/14/20/1028421420.db2.gz JHKNDNWUKHTINQ-UHFFFAOYSA-N 0 0 343.448 3.823 10 0 EHAERN COC(=O)Nc1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000194170419 1028495527 /nfs/dbraw/zinc/49/55/27/1028495527.db2.gz OWRYQFKJSIFPLD-DAXOMENPSA-N 0 0 334.391 3.764 10 0 EHAERN c1csc([C@H]2CCCN(Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000195441573 1028610736 /nfs/dbraw/zinc/61/07/36/1028610736.db2.gz HTQPBLHOOZBDFD-NSHDSACASA-N 0 0 332.454 3.634 10 0 EHAERN Cc1cc(C)c(NC(=O)CN2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000195351644 1028636272 /nfs/dbraw/zinc/63/62/72/1028636272.db2.gz DBBUADIHUNLJNA-INIZCTEOSA-N 0 0 343.496 3.886 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000246642819 1028673539 /nfs/dbraw/zinc/67/35/39/1028673539.db2.gz CKXKCLNHSMMOSW-NILFDRSVSA-N 0 0 325.861 3.749 10 0 EHAERN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)s1 ZINC000246721546 1028680935 /nfs/dbraw/zinc/68/09/35/1028680935.db2.gz OGFFDANWMXTYNX-KNHMANMVSA-N 0 0 330.453 3.844 10 0 EHAERN Cc1cnc(C(C)(C)NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)s1 ZINC000246788232 1028692248 /nfs/dbraw/zinc/69/22/48/1028692248.db2.gz ZTYSLJXGOXMGDC-ARFHVFGLSA-N 0 0 341.480 3.714 10 0 EHAERN CN(Cc1nccs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246975476 1028720422 /nfs/dbraw/zinc/72/04/22/1028720422.db2.gz VPWDARRNTVOHTP-TZMCWYRMSA-N 0 0 329.252 3.540 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@H]2C[C@H]2C2CCCCC2)c2ccccc2)[nH]1 ZINC000247423646 1028787584 /nfs/dbraw/zinc/78/75/84/1028787584.db2.gz OEMKKCDRSZTYLY-OKZBNKHCSA-N 0 0 338.455 3.535 10 0 EHAERN O=C(Nc1ccccc1Br)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247652906 1028807652 /nfs/dbraw/zinc/80/76/52/1028807652.db2.gz WRCHOKPFFKIAFE-SUHUHFCYSA-N 0 0 339.233 3.528 10 0 EHAERN Cc1ccccc1[C@@H]1CN(c2nnc(C(F)(F)F)s2)[C@@H](C)CO1 ZINC000248657293 1028935332 /nfs/dbraw/zinc/93/53/32/1028935332.db2.gz AFORTIPASANDJH-JQWIXIFHSA-N 0 0 343.374 3.832 10 0 EHAERN Cc1ccc(C)c([C@@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)[C@@H](C)CO2)c1 ZINC000248824148 1028952921 /nfs/dbraw/zinc/95/29/21/1028952921.db2.gz GJQXVXRWCQIUFU-LNLFQRSKSA-N 0 0 343.467 3.551 10 0 EHAERN CCCc1nc(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)no1 ZINC000249390473 1029001911 /nfs/dbraw/zinc/00/19/11/1029001911.db2.gz QVFPMOYCTLXRCL-IUODEOHRSA-N 0 0 335.835 3.638 10 0 EHAERN c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc(OC2CCCC2)c1 ZINC000245700054 1029039989 /nfs/dbraw/zinc/03/99/89/1029039989.db2.gz BLPOSOCJZVHWGO-MOPGFXCFSA-N 0 0 333.497 3.714 10 0 EHAERN CCOC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2cccn2C)c1 ZINC000077687936 1029145115 /nfs/dbraw/zinc/14/51/15/1029145115.db2.gz HZRDVLWJBMCACM-QGZVFWFLSA-N 0 0 341.411 3.571 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCCC2(CCCCC2)C1 ZINC000077853744 1029162014 /nfs/dbraw/zinc/16/20/14/1029162014.db2.gz ZZIZOOUXZATPRI-IBGZPJMESA-N 0 0 344.499 3.909 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@@H]2CCCC[C@@H]2O)cs1 ZINC000333613879 1029191678 /nfs/dbraw/zinc/19/16/78/1029191678.db2.gz HFUGXTINPSSWCC-HIFRSBDPSA-N 0 0 331.441 3.544 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cnc(Cl)cc3C)CCO2)o1 ZINC000154621071 1029248705 /nfs/dbraw/zinc/24/87/05/1029248705.db2.gz BDFOHULUELSKLE-CQSZACIVSA-N 0 0 335.791 3.550 10 0 EHAERN c1csc([C@@H](N[C@H]2CCCN(c3ccccc3)C2)c2ncc[nH]2)c1 ZINC000253355593 1029327352 /nfs/dbraw/zinc/32/73/52/1029327352.db2.gz UEIZWUVHQRPWMU-MAUKXSAKSA-N 0 0 338.480 3.819 10 0 EHAERN C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](c2ccco2)C1 ZINC000282053464 1029376275 /nfs/dbraw/zinc/37/62/75/1029376275.db2.gz AXKVFTJZZQKKEJ-NQNKBUKLSA-N 0 0 334.460 3.966 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000245868686 1029397178 /nfs/dbraw/zinc/39/71/78/1029397178.db2.gz FUXOSOPTLDZROA-GBESFXJTSA-N 0 0 343.515 3.808 10 0 EHAERN O=C(NC1CC1)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000155428014 1029534646 /nfs/dbraw/zinc/53/46/46/1029534646.db2.gz WUFAKEKVHLRYHN-UHFFFAOYSA-N 0 0 346.430 3.508 10 0 EHAERN c1ccc(Cc2noc(CN3CCS[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000246064818 1029621209 /nfs/dbraw/zinc/62/12/09/1029621209.db2.gz BPYNEKMJPZUMLH-HZPDHXFCSA-N 0 0 329.469 3.520 10 0 EHAERN O=C(c1ccoc1Br)N1CC=C(c2ccccc2)CC1 ZINC000193307559 1029819492 /nfs/dbraw/zinc/81/94/92/1029819492.db2.gz IOEQNOYSTUACJQ-UHFFFAOYSA-N 0 0 332.197 3.972 10 0 EHAERN Fc1ccc(F)c(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202190 1030090898 /nfs/dbraw/zinc/09/08/98/1030090898.db2.gz IGQGLISTLBFVNF-OAHLLOKOSA-N 0 0 335.741 3.880 10 0 EHAERN O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCC[C@@H](c2nccs2)C1 ZINC000157034332 1030215609 /nfs/dbraw/zinc/21/56/09/1030215609.db2.gz XCSVQFKXJSYHPI-CABCVRRESA-N 0 0 349.500 3.524 10 0 EHAERN COCCCOc1cccc(CN2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000093865159 1030687852 /nfs/dbraw/zinc/68/78/52/1030687852.db2.gz XXIQBLGNQPSDIY-FQEVSTJZSA-N 0 0 345.439 3.577 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cccc(Br)c1 ZINC000170632891 1030692506 /nfs/dbraw/zinc/69/25/06/1030692506.db2.gz IUNUYKKXCBAKOX-UHFFFAOYSA-N 0 0 344.168 3.751 10 0 EHAERN O=C(CCc1ccc(F)cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171616702 1030766738 /nfs/dbraw/zinc/76/67/38/1030766738.db2.gz DUBLUTUZHJDHMA-UHFFFAOYSA-N 0 0 326.415 3.635 10 0 EHAERN CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000171640609 1030768520 /nfs/dbraw/zinc/76/85/20/1030768520.db2.gz RXPKGLSYCKKHTN-LLVKDONJSA-N 0 0 335.498 3.917 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)COc2cc(F)ccc2F)cc1 ZINC000171512758 1030788646 /nfs/dbraw/zinc/78/86/46/1030788646.db2.gz TYVWWYPPXIDHIP-QGZVFWFLSA-N 0 0 347.361 3.716 10 0 EHAERN COc1cccc([C@@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171613765 1030800928 /nfs/dbraw/zinc/80/09/28/1030800928.db2.gz SDOJOGSYDGTYEP-MRXNPFEDSA-N 0 0 338.451 3.675 10 0 EHAERN O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@H](c2nccs2)C1 ZINC000171721708 1030812696 /nfs/dbraw/zinc/81/26/96/1030812696.db2.gz VCSHVUOSWZTYJS-NSHDSACASA-N 0 0 344.465 3.615 10 0 EHAERN CSc1ccc(CN2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000171830009 1030820590 /nfs/dbraw/zinc/82/05/90/1030820590.db2.gz GKHRKGXPVQYPIH-UHFFFAOYSA-N 0 0 346.521 3.818 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(F)cc3Cl)CC2)nc1 ZINC000157775703 1030836545 /nfs/dbraw/zinc/83/65/45/1030836545.db2.gz OWWIZYTZLIIPOU-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN CCN(C(C)=O)c1nc(CN2CC=C(c3cccs3)CC2)cs1 ZINC000172194220 1030847545 /nfs/dbraw/zinc/84/75/45/1030847545.db2.gz DNGNFKCNPKOUSV-UHFFFAOYSA-N 0 0 347.509 3.867 10 0 EHAERN CC(C)(C(=O)N1CCC(Cc2ccccn2)CC1)c1cccs1 ZINC000172218725 1030874015 /nfs/dbraw/zinc/87/40/15/1030874015.db2.gz IHKMHOBJEZNMMH-UHFFFAOYSA-N 0 0 328.481 3.902 10 0 EHAERN C[C@@H]1CCC[C@H](C)CN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172706665 1030979361 /nfs/dbraw/zinc/97/93/61/1030979361.db2.gz RJBZDAPQFDXHTN-LSDHHAIUSA-N 0 0 348.512 3.637 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2cc(C)on2)cc1 ZINC000173759217 1031104615 /nfs/dbraw/zinc/10/46/15/1031104615.db2.gz YEWKCTYBYLLEJL-QGZVFWFLSA-N 0 0 346.452 3.589 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cs1 ZINC000329560177 1031117362 /nfs/dbraw/zinc/11/73/62/1031117362.db2.gz RCUNOLKZQPPQJU-MLGOLLRUSA-N 0 0 330.453 3.837 10 0 EHAERN O=C(N1CCC(Nc2ccccc2F)CC1)C1(c2ccccc2)CC1 ZINC000174091339 1031162824 /nfs/dbraw/zinc/16/28/24/1031162824.db2.gz HRLBWUDPCUKXSH-UHFFFAOYSA-N 0 0 338.426 3.960 10 0 EHAERN C[C@]12CCCN1C[C@H](c1noc([C@H]3C[C@H]3C3CCCCC3)n1)OC2 ZINC000329598793 1031270716 /nfs/dbraw/zinc/27/07/16/1031270716.db2.gz PSNWIFKUFIMOQP-YIOZNXECSA-N 0 0 331.460 3.679 10 0 EHAERN C[C@]12CCCN1C[C@H](c1noc([C@@H]3C[C@@H]3C3CCCCC3)n1)OC2 ZINC000329598794 1031272080 /nfs/dbraw/zinc/27/20/80/1031272080.db2.gz PSNWIFKUFIMOQP-YKTARERQSA-N 0 0 331.460 3.679 10 0 EHAERN CCOc1ccc([C@H]2CCCN2C(=O)c2ncncc2Cl)cc1 ZINC000175105094 1031276568 /nfs/dbraw/zinc/27/65/68/1031276568.db2.gz IGBRVXDHWUPDAB-OAHLLOKOSA-N 0 0 331.803 3.506 10 0 EHAERN COCCCOc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000176274867 1031418969 /nfs/dbraw/zinc/41/89/69/1031418969.db2.gz SJMADNLVUPRMGR-IFXJQAMLSA-N 0 0 341.407 3.605 10 0 EHAERN CC(C)OCc1cccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000176348751 1031429550 /nfs/dbraw/zinc/42/95/50/1031429550.db2.gz ONLIQICFUIUUBO-GOSISDBHSA-N 0 0 342.443 3.505 10 0 EHAERN CC(C)CCN(C(=O)NC1CCN(c2cccs2)CC1)C1CC1 ZINC000176616925 1031466653 /nfs/dbraw/zinc/46/66/53/1031466653.db2.gz KFJKHYDGQPRTTL-UHFFFAOYSA-N 0 0 335.517 3.937 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000176691935 1031474689 /nfs/dbraw/zinc/47/46/89/1031474689.db2.gz DBFCISRVIBDSKK-DVOMOZLQSA-N 0 0 346.496 3.821 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000117057568 1031546596 /nfs/dbraw/zinc/54/65/96/1031546596.db2.gz ICLDUYFNECBGGQ-MAUKXSAKSA-N 0 0 344.503 3.579 10 0 EHAERN O=C(N1CCC[C@@H](c2nccs2)C1)C1(Cc2ccccc2)CC1 ZINC000177482704 1031546376 /nfs/dbraw/zinc/54/63/76/1031546376.db2.gz PCCJDTSRZUXZMN-MRXNPFEDSA-N 0 0 326.465 3.872 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccc2ccccc2c1 ZINC000177352311 1031559487 /nfs/dbraw/zinc/55/94/87/1031559487.db2.gz OYMZQBPQRSJYRS-OXJNMPFZSA-N 0 0 348.450 3.972 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)C(c1ccccc1)c1ccccc1 ZINC000178300680 1031652592 /nfs/dbraw/zinc/65/25/92/1031652592.db2.gz GGQZHXHPYGLOOZ-UNMCSNQZSA-N 0 0 343.426 3.593 10 0 EHAERN O=C(CCc1ccc(F)cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000178512839 1031675316 /nfs/dbraw/zinc/67/53/16/1031675316.db2.gz GFHGOTJFRDZOAM-ZDUSSCGKSA-N 0 0 336.407 3.760 10 0 EHAERN O=C(c1cnc2ccc(F)cc2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000179320685 1031766087 /nfs/dbraw/zinc/76/60/87/1031766087.db2.gz CFEGLVVADBXTGL-GFCCVEGCSA-N 0 0 341.411 3.850 10 0 EHAERN CS[C@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179348506 1031771034 /nfs/dbraw/zinc/77/10/34/1031771034.db2.gz JJKXHMZQOKQTRR-SJORKVTESA-N 0 0 331.437 3.592 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc([S@@](C)=O)cc1 ZINC000179809344 1031810708 /nfs/dbraw/zinc/81/07/08/1031810708.db2.gz PNQPGBSZPDTDGQ-RKNYENMMSA-N 0 0 342.464 3.872 10 0 EHAERN O=C(/C=C/c1cccc(O)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000180070736 1031838032 /nfs/dbraw/zinc/83/80/32/1031838032.db2.gz UXFZGFPMKXXJDH-CMDGGOBGSA-N 0 0 340.398 3.648 10 0 EHAERN CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000180444111 1031857036 /nfs/dbraw/zinc/85/70/36/1031857036.db2.gz MATQHRBIQMNUNV-WBVHZDCISA-N 0 0 342.443 3.757 10 0 EHAERN COc1cc(CN[C@H](c2ccco2)c2ccccc2OC)ccc1O ZINC000180176336 1031864261 /nfs/dbraw/zinc/86/42/61/1031864261.db2.gz ZXQCWEAPJDYLPT-FQEVSTJZSA-N 0 0 339.391 3.882 10 0 EHAERN Cc1ccc(C[C@H](C)c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)cc1 ZINC000329707475 1031888889 /nfs/dbraw/zinc/88/88/89/1031888889.db2.gz KNZFOJLSQUDJBK-SZMVWBNQSA-N 0 0 341.455 3.650 10 0 EHAERN Cc1cc([C@H](C)N[C@H]2CCCn3ncnc32)ccc1Br ZINC000180731160 1031904161 /nfs/dbraw/zinc/90/41/61/1031904161.db2.gz IVXMRYSIEISPLJ-FZMZJTMJSA-N 0 0 335.249 3.535 10 0 EHAERN Cc1ccc(CCC(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1 ZINC000180867341 1031918126 /nfs/dbraw/zinc/91/81/26/1031918126.db2.gz ZOYRXNRZYJKAOI-UHFFFAOYSA-N 0 0 338.451 3.701 10 0 EHAERN CSc1ccccc1C(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000181199909 1031952382 /nfs/dbraw/zinc/95/23/82/1031952382.db2.gz TXJTZUJNQMDLJB-UHFFFAOYSA-N 0 0 342.464 3.796 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)nc1 ZINC000181200405 1031953406 /nfs/dbraw/zinc/95/34/06/1031953406.db2.gz GJHDCNHQQWNBJM-UHFFFAOYSA-N 0 0 348.805 3.866 10 0 EHAERN CCC(CC)n1nc(C)cc1C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000181519115 1031999351 /nfs/dbraw/zinc/99/93/51/1031999351.db2.gz KQFNKGHPHGGCGC-SFHVURJKSA-N 0 0 345.443 3.668 10 0 EHAERN CC(C)c1ncc(Cl)c(C(=O)Nc2cccc(-c3ncon3)c2)n1 ZINC000101524933 1033733508 /nfs/dbraw/zinc/73/35/08/1033733508.db2.gz LHRRDMXEPUITLZ-UHFFFAOYSA-N 0 0 343.774 3.556 10 0 EHAERN CN(CCC1CCCCC1)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000101608045 1033862599 /nfs/dbraw/zinc/86/25/99/1033862599.db2.gz UYGUMAUUYDFWOF-UHFFFAOYSA-N 0 0 344.503 3.662 10 0 EHAERN Cc1ccc(CN(C(=O)NCCc2c(C)nn(C)c2C)C(C)C)s1 ZINC000101794953 1034225169 /nfs/dbraw/zinc/22/51/69/1034225169.db2.gz PZNARNOHPRGTJV-UHFFFAOYSA-N 0 0 348.516 3.570 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnn(C(C)(C)C)c3)C2)cc1 ZINC000121146000 1034475568 /nfs/dbraw/zinc/47/55/68/1034475568.db2.gz DLNQEOCLJMJZDU-GDBMZVCRSA-N 0 0 341.455 3.665 10 0 EHAERN C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186631401 1035675952 /nfs/dbraw/zinc/67/59/52/1035675952.db2.gz JAGUGKCYTFMJLM-NSHDSACASA-N 0 0 344.440 3.950 10 0 EHAERN C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186629427 1035676362 /nfs/dbraw/zinc/67/63/62/1035676362.db2.gz NFSNVGIRMGBEFR-ZDUSSCGKSA-N 0 0 338.411 3.889 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccn(C3CCCC3)n2)cs1 ZINC000187075653 1035750621 /nfs/dbraw/zinc/75/06/21/1035750621.db2.gz SVCRPCRNUKUTQH-INIZCTEOSA-N 0 0 330.457 3.740 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(F)c(F)c(F)c2F)cs1 ZINC000187077921 1035750975 /nfs/dbraw/zinc/75/09/75/1035750975.db2.gz IVRPKROAHOBZGG-NSHDSACASA-N 0 0 344.333 3.985 10 0 EHAERN Cc1nc([C@H](NC(=O)NCC(C)(C)C(C)C)c2ccccc2F)no1 ZINC000187323554 1035793347 /nfs/dbraw/zinc/79/33/47/1035793347.db2.gz BKAZMGYMBPAMHS-OAHLLOKOSA-N 0 0 348.422 3.588 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cc1ccc(OC(C)C)cc1 ZINC000187369155 1035794843 /nfs/dbraw/zinc/79/48/43/1035794843.db2.gz UEXORORNNBBZNI-SFHVURJKSA-N 0 0 341.455 3.720 10 0 EHAERN Cc1csc(C(C)(C)NC(=O)N[C@H]2CCOc3c(C)cccc32)n1 ZINC000188597347 1035930381 /nfs/dbraw/zinc/93/03/81/1035930381.db2.gz YNANPDHIHDKVFV-AWEZNQCLSA-N 0 0 345.468 3.818 10 0 EHAERN Cc1ccccc1C1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000188457002 1035940047 /nfs/dbraw/zinc/94/00/47/1035940047.db2.gz NKHPCOUPCKZWID-UHFFFAOYSA-N 0 0 334.419 3.509 10 0 EHAERN C[C@@H](c1nnnn1C1CCCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000188982852 1035999336 /nfs/dbraw/zinc/99/93/36/1035999336.db2.gz QYCUTLVKHURHBM-KBPBESRZSA-N 0 0 346.504 3.575 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000189066114 1036012677 /nfs/dbraw/zinc/01/26/77/1036012677.db2.gz SMCKUZMCKJUNPP-DRPJVOAASA-N 0 0 349.475 3.519 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000189066137 1036012867 /nfs/dbraw/zinc/01/28/67/1036012867.db2.gz SMCKUZMCKJUNPP-SYAUCNOPSA-N 0 0 349.475 3.519 10 0 EHAERN Cc1ncsc1/C=C/C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000188952581 1036017241 /nfs/dbraw/zinc/01/72/41/1036017241.db2.gz BQQBHUUAIPEISU-VOTSOKGWSA-N 0 0 345.443 3.707 10 0 EHAERN C[C@H]1C[C@@H](Nc2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000302128767 1036064909 /nfs/dbraw/zinc/06/49/09/1036064909.db2.gz YDKSTGGXFOIXTL-HOCLYGCPSA-N 0 0 346.471 3.959 10 0 EHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCCC2(CC2)C1 ZINC000189440693 1036076858 /nfs/dbraw/zinc/07/68/58/1036076858.db2.gz BNZCSLGIXQMUNH-UHFFFAOYSA-N 0 0 344.846 3.993 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCCC[C@@H]1c1ncon1 ZINC000189568904 1036089174 /nfs/dbraw/zinc/08/91/74/1036089174.db2.gz XQHYOUXCHJSPDD-SXSDINLZSA-N 0 0 348.406 3.775 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000189663722 1036115045 /nfs/dbraw/zinc/11/50/45/1036115045.db2.gz SAKOQDMBXWMRLD-UHFFFAOYSA-N 0 0 349.438 3.839 10 0 EHAERN CCC[C@H]1C[C@@H](C(=O)N2CC3(CCOCC3)c3ccccc32)CCO1 ZINC000189832949 1036153890 /nfs/dbraw/zinc/15/38/90/1036153890.db2.gz MWRAGKYBPWANPZ-IRXDYDNUSA-N 0 0 343.467 3.677 10 0 EHAERN COCc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189834665 1036153963 /nfs/dbraw/zinc/15/39/63/1036153963.db2.gz UVXXVDBCMFWLGK-UHFFFAOYSA-N 0 0 337.419 3.542 10 0 EHAERN CCc1c(C(=O)N[C@H]2CCOc3c(C)cccc32)[nH]c(C)c1C(C)=O ZINC000189937553 1036165074 /nfs/dbraw/zinc/16/50/74/1036165074.db2.gz LTOIOQGVKDJLTB-INIZCTEOSA-N 0 0 340.423 3.650 10 0 EHAERN C[C@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190396836 1036207272 /nfs/dbraw/zinc/20/72/72/1036207272.db2.gz IDHNIBHQZWEJSI-CQSZACIVSA-N 0 0 329.469 3.740 10 0 EHAERN COCCC[C@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190263210 1036213571 /nfs/dbraw/zinc/21/35/71/1036213571.db2.gz YAVFFDRSZTZWOA-UONOGXRCSA-N 0 0 325.399 3.734 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCOc2ccc(F)cc2)n1 ZINC000190371843 1036228304 /nfs/dbraw/zinc/22/83/04/1036228304.db2.gz ZHXYLYHZGFCLRC-HOCLYGCPSA-N 0 0 334.391 3.749 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CSC[C@H]2CCCCO2)n1 ZINC000190370175 1036229418 /nfs/dbraw/zinc/22/94/18/1036229418.db2.gz PEVLXJOJPTUBLJ-IPYPFGDCSA-N 0 0 340.489 3.791 10 0 EHAERN CC(C)[C@@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190380411 1036231836 /nfs/dbraw/zinc/23/18/36/1036231836.db2.gz IGQXBMHTAKLUGT-QGZVFWFLSA-N 0 0 343.496 3.986 10 0 EHAERN Cc1ccc2cc(C(=O)N3CCC(Nc4nccs4)CC3)[nH]c2c1 ZINC000190373807 1036233257 /nfs/dbraw/zinc/23/32/57/1036233257.db2.gz UCAUSIANSHESBN-UHFFFAOYSA-N 0 0 340.452 3.650 10 0 EHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC(Nc2nccs2)CC1 ZINC000190390915 1036234251 /nfs/dbraw/zinc/23/42/51/1036234251.db2.gz KIPQSSONJKHSRI-JKSUJKDBSA-N 0 0 333.501 3.762 10 0 EHAERN Cc1[nH]c2ccccc2c1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190430470 1036237534 /nfs/dbraw/zinc/23/75/34/1036237534.db2.gz QQNZMLILJGZSRE-UHFFFAOYSA-N 0 0 340.452 3.650 10 0 EHAERN Cc1oc2ccccc2c1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190447863 1036239719 /nfs/dbraw/zinc/23/97/19/1036239719.db2.gz PTKPFFBYANXGQG-UHFFFAOYSA-N 0 0 341.436 3.914 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190434771 1036241218 /nfs/dbraw/zinc/24/12/18/1036241218.db2.gz YPVAYLOBOQHBQY-DLBZAZTESA-N 0 0 341.480 3.658 10 0 EHAERN COCCCN(C)C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000190716031 1036261028 /nfs/dbraw/zinc/26/10/28/1036261028.db2.gz YVUIRWBWWOFVLY-AWEZNQCLSA-N 0 0 339.505 3.534 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1occc1Br ZINC000190649396 1036269962 /nfs/dbraw/zinc/26/99/62/1036269962.db2.gz NAFDOMBPKUERGL-LBPRGKRZSA-N 0 0 336.185 3.604 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1cc(F)c(F)cc1F ZINC000190637911 1036271193 /nfs/dbraw/zinc/27/11/93/1036271193.db2.gz QGNBDRJTXQCOAG-INIZCTEOSA-N 0 0 335.325 3.595 10 0 EHAERN C[C@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)c1cccnc1 ZINC000191198207 1036345230 /nfs/dbraw/zinc/34/52/30/1036345230.db2.gz WYGMVLJNYVCNQO-DZGCQCFKSA-N 0 0 330.378 3.870 10 0 EHAERN O=C(c1cnn2c1CCCC2)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191215711 1036349733 /nfs/dbraw/zinc/34/97/33/1036349733.db2.gz JMFZJJNXZHIJFD-CYBMUJFWSA-N 0 0 345.393 3.517 10 0 EHAERN c1ccc2c(c1)N(Cc1ccc(N3CCCC3)nc1)CC21CCOCC1 ZINC000191620721 1036399526 /nfs/dbraw/zinc/39/95/26/1036399526.db2.gz SFXSTSMHKBNDTM-UHFFFAOYSA-N 0 0 349.478 3.750 10 0 EHAERN O=CNc1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1 ZINC000191536217 1036412772 /nfs/dbraw/zinc/41/27/72/1036412772.db2.gz XMSRVHHPFZQMET-CQSZACIVSA-N 0 0 344.361 3.553 10 0 EHAERN CC(C)N(C(=O)[C@H](C)N1CC2(CCOCC2)c2ccccc21)C(C)C ZINC000192286258 1036490046 /nfs/dbraw/zinc/49/00/46/1036490046.db2.gz TTYYKVHSPFYKHY-KRWDZBQOSA-N 0 0 344.499 3.589 10 0 EHAERN COCc1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000192592418 1036530354 /nfs/dbraw/zinc/53/03/54/1036530354.db2.gz AWGSNPVTBRTPMM-GOSISDBHSA-N 0 0 325.412 3.551 10 0 EHAERN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCOc3ccccc32)cc1F ZINC000102849177 1036779216 /nfs/dbraw/zinc/77/92/16/1036779216.db2.gz IKKHCTOPJXGDAT-IUODEOHRSA-N 0 0 329.371 3.578 10 0 EHAERN CC(C)COc1ncccc1C(=O)N(C)CCc1ccc(F)cc1 ZINC000102999515 1036826044 /nfs/dbraw/zinc/82/60/44/1036826044.db2.gz KSYQRTQWMFEHRK-UHFFFAOYSA-N 0 0 330.403 3.570 10 0 EHAERN CC(C)c1csc(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)n1 ZINC000104313817 1037019458 /nfs/dbraw/zinc/01/94/58/1037019458.db2.gz DUSSENQSUAGLSP-UHFFFAOYSA-N 0 0 343.452 3.723 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000104459739 1037042333 /nfs/dbraw/zinc/04/23/33/1037042333.db2.gz WGOLMPIOQVGLTN-UHFFFAOYSA-N 0 0 349.434 3.504 10 0 EHAERN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)cc1C ZINC000175385681 1037062132 /nfs/dbraw/zinc/06/21/32/1037062132.db2.gz VRZMQBAKECQBGA-HNNXBMFYSA-N 0 0 336.482 3.676 10 0 EHAERN CO[C@H](C)c1cccc(NC(=O)NCCCCNc2ccccn2)c1 ZINC000105032965 1037140027 /nfs/dbraw/zinc/14/00/27/1037140027.db2.gz NHISYAANKKLQQD-OAHLLOKOSA-N 0 0 342.443 3.803 10 0 EHAERN Cc1nnc([C@@H](NC(=O)N[C@H](C)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000105163727 1037151401 /nfs/dbraw/zinc/15/14/01/1037151401.db2.gz LBJIXXGLGAGWFT-KDOFPFPSSA-N 0 0 349.438 3.571 10 0 EHAERN CCOc1ccc(CNC(=O)[C@@H](OCC)c2ccccc2)cc1F ZINC000105984590 1037291201 /nfs/dbraw/zinc/29/12/01/1037291201.db2.gz PLHUNHSFEFMKHF-SFHVURJKSA-N 0 0 331.387 3.618 10 0 EHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000104479810 1037299661 /nfs/dbraw/zinc/29/96/61/1037299661.db2.gz GMWYRQBBABQKMK-JOYOIKCWSA-N 0 0 348.324 3.951 10 0 EHAERN COc1cccc(C[S@](=O)Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000105689969 1037604313 /nfs/dbraw/zinc/60/43/13/1037604313.db2.gz MYNFKJCRHCPDRN-XMMPIXPASA-N 0 0 342.420 3.503 10 0 EHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)n1 ZINC000113206362 1037779547 /nfs/dbraw/zinc/77/95/47/1037779547.db2.gz LVYHMANFFHJFQP-QMTHXVAHSA-N 0 0 347.311 3.995 10 0 EHAERN O=C(CC(F)(F)F)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218396 1037780181 /nfs/dbraw/zinc/78/01/81/1037780181.db2.gz TUDPCABWEUPFGK-CYBMUJFWSA-N 0 0 337.345 3.735 10 0 EHAERN O=C(Nc1nnc(C(F)F)s1)N1CC=C(c2cccs2)CC1 ZINC000118016066 1037867909 /nfs/dbraw/zinc/86/79/09/1037867909.db2.gz BSRQBWNKAQYMIX-UHFFFAOYSA-N 0 0 342.396 3.858 10 0 EHAERN CCCCC[C@H](CC)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000179646089 1037876946 /nfs/dbraw/zinc/87/69/46/1037876946.db2.gz NQLXNVNJEDZYRX-HNNXBMFYSA-N 0 0 349.475 3.767 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](c1ccccc1)C(C)C)CCC2 ZINC000332680982 1037951337 /nfs/dbraw/zinc/95/13/37/1037951337.db2.gz HNLJJVVCJXNBHH-QZTJIDSGSA-N 0 0 340.471 3.765 10 0 EHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330179335 1037959742 /nfs/dbraw/zinc/95/97/42/1037959742.db2.gz FHQINVZIJBEJLZ-FZMZJTMJSA-N 0 0 331.803 3.823 10 0 EHAERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000332820775 1037959627 /nfs/dbraw/zinc/95/96/27/1037959627.db2.gz ALYZBDVBTURSGG-UIBIWLFHSA-N 0 0 346.471 3.745 10 0 EHAERN Nc1ncnc(N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1Cl ZINC000302888008 1038019631 /nfs/dbraw/zinc/01/96/31/1038019631.db2.gz MJIRETRCDJOTIN-GFCCVEGCSA-N 0 0 330.819 3.961 10 0 EHAERN Cc1cccc([C@H](NC(=O)N[C@@H](C)c2ccncc2)c2ccccn2)c1 ZINC000124797868 1038236859 /nfs/dbraw/zinc/23/68/59/1038236859.db2.gz FBWLPZHZLIEONA-JXFKEZNVSA-N 0 0 346.434 3.935 10 0 EHAERN CN(C(=O)c1cccc2c1OCC(=O)N2)C1CCC(C(C)(C)C)CC1 ZINC000408077016 1038640860 /nfs/dbraw/zinc/64/08/60/1038640860.db2.gz QYDMAJSPDBSZSE-UHFFFAOYSA-N 0 0 344.455 3.694 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151654156 1038783394 /nfs/dbraw/zinc/78/33/94/1038783394.db2.gz BJCWUPKLQSDTID-SJKOYZFVSA-N 0 0 338.835 3.508 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N3CCC(C)(O)CC3)cc2s1 ZINC000408406554 1039350551 /nfs/dbraw/zinc/35/05/51/1039350551.db2.gz UYTCRCOUPITIGB-UHFFFAOYSA-N 0 0 339.848 3.637 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2ccccc21 ZINC000245701661 1039633021 /nfs/dbraw/zinc/63/30/21/1039633021.db2.gz VNQAZRZJHSWQCT-XERREHJYSA-N 0 0 342.483 3.746 10 0 EHAERN Cc1cc2occ(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c2cc1C ZINC000151149073 1039755301 /nfs/dbraw/zinc/75/53/01/1039755301.db2.gz XBVZLXCUQIBANB-UWJYYQICSA-N 0 0 341.451 3.746 10 0 EHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3sc(C(C)(C)C)nc3C)C2)c1 ZINC000408090742 1040162760 /nfs/dbraw/zinc/16/27/60/1040162760.db2.gz MUGBPOQOAQCAJK-CQSZACIVSA-N 0 0 346.500 3.731 10 0 EHAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000120020328 1040361701 /nfs/dbraw/zinc/36/17/01/1040361701.db2.gz XMJLMJUBHVNGIP-CRAIPNDOSA-N 0 0 341.455 3.719 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)C2CCC(NC(=O)C3CC3)CC2)cc1C ZINC000332967135 1040556619 /nfs/dbraw/zinc/55/66/19/1040556619.db2.gz ZYXUQTVXOVVHAR-LSJNQWAISA-N 0 0 342.483 3.566 10 0 EHAERN CNC(=O)c1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1Cl ZINC000408442399 1040762200 /nfs/dbraw/zinc/76/22/00/1040762200.db2.gz KGVKHQMNBIROMA-UHFFFAOYSA-N 0 0 337.851 3.744 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000408446706 1040897980 /nfs/dbraw/zinc/89/79/80/1040897980.db2.gz PBIXVFCNIIZQPK-XHSDSOJGSA-N 0 0 347.507 3.750 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000333181411 1041414972 /nfs/dbraw/zinc/41/49/72/1041414972.db2.gz LXBCQDJPFFUCNL-DVOMOZLQSA-N 0 0 327.428 3.786 10 0 EHAERN Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(C)c1 ZINC000408147908 1041802026 /nfs/dbraw/zinc/80/20/26/1041802026.db2.gz JGJZWWJZILIHRC-RLLQIKCJSA-N 0 0 344.499 3.837 10 0 EHAERN COc1cc2c(cc1F)ncnc2N1CCCC[C@H]1c1nccs1 ZINC000302565305 1041958409 /nfs/dbraw/zinc/95/84/09/1041958409.db2.gz NBSIFSSXWMWUIF-AWEZNQCLSA-N 0 0 344.415 3.966 10 0 EHAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408173057 1042106197 /nfs/dbraw/zinc/10/61/97/1042106197.db2.gz FBNBQWBPXKCJAE-DSFJHFMVSA-N 0 0 342.483 3.645 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)[C@@H]2CCCC[C@H]21 ZINC000408175093 1042121573 /nfs/dbraw/zinc/12/15/73/1042121573.db2.gz POESKGXRQSZUIV-IVMMDQJWSA-N 0 0 342.443 3.936 10 0 EHAERN C[C@@H](CC1CCCCC1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162412670 1042727495 /nfs/dbraw/zinc/72/74/95/1042727495.db2.gz HBIJADAVWQHVSR-INIZCTEOSA-N 0 0 331.504 3.808 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2cc(F)cc(F)c2)c2ccccc2)[nH]1 ZINC000162565272 1042739823 /nfs/dbraw/zinc/73/98/23/1042739823.db2.gz TVJCARUCSYSYBN-DIFFPNOSSA-N 0 0 328.366 3.832 10 0 EHAERN COc1ccc2c(c1)CCC[C@@H]2N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162614397 1042742630 /nfs/dbraw/zinc/74/26/30/1042742630.db2.gz ISOUKLQYVLLMDM-PMACEKPBSA-N 0 0 348.450 3.878 10 0 EHAERN COc1ccc2c(c1)CCC[C@H]2N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162614130 1042743242 /nfs/dbraw/zinc/74/32/42/1042743242.db2.gz ISOUKLQYVLLMDM-UXHICEINSA-N 0 0 348.450 3.878 10 0 EHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3cc(C)cc(C)n3)C2)n1 ZINC000408241097 1042839144 /nfs/dbraw/zinc/83/91/44/1042839144.db2.gz SHPDLAPDUGVZJX-CQSZACIVSA-N 0 0 330.457 3.875 10 0 EHAERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000122122912 1042863101 /nfs/dbraw/zinc/86/31/01/1042863101.db2.gz OWCIGRJYMANWDI-KRWDZBQOSA-N 0 0 343.471 3.506 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)cs1 ZINC000330327265 1042901526 /nfs/dbraw/zinc/90/15/26/1042901526.db2.gz VKSFPNPZKLUARA-DOPJRALCSA-N 0 0 344.480 3.588 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCSC[C@@H](C)C2)c(Cl)c1 ZINC000408354263 1043647630 /nfs/dbraw/zinc/64/76/30/1043647630.db2.gz JFHLQZNGOXKDDT-JTQLQIEISA-N 0 0 341.864 3.515 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000247548529 1043797012 /nfs/dbraw/zinc/79/70/12/1043797012.db2.gz QRJVWKCYMOYJJR-NIKGAXFTSA-N 0 0 338.455 3.600 10 0 EHAERN Cc1ccc(C[C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)c1 ZINC000122627618 1044306647 /nfs/dbraw/zinc/30/66/47/1044306647.db2.gz BYVPVVGEZKPOLG-DSKINZAPSA-N 0 0 344.499 3.571 10 0 EHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)C[C@H]2CCCC(C)(C)C2)o1 ZINC000408385873 1044490043 /nfs/dbraw/zinc/49/00/43/1044490043.db2.gz MMJTVMQYWNGEKB-CABCVRRESA-N 0 0 349.475 3.699 10 0 EHAERN Cn1c(CN2CCC(c3ccccc3)CC2)nnc1-c1ccccc1 ZINC000102843608 1127775909 /nfs/dbraw/zinc/77/59/09/1127775909.db2.gz BEKNRTJNRCSDLS-UHFFFAOYSA-N 0 0 332.451 3.862 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000189179066 1132443193 /nfs/dbraw/zinc/44/31/93/1132443193.db2.gz FMEWTUSAOXZJEI-VXGBXAGGSA-N 0 0 331.441 3.760 10 0 EHAERN CCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101768224 1135390865 /nfs/dbraw/zinc/39/08/65/1135390865.db2.gz NIWXIWXFDPNOIY-CVEARBPZSA-N 0 0 339.524 3.538 10 0 EHAERN CCC[C@H](C)CC(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000102141745 1135464086 /nfs/dbraw/zinc/46/40/86/1135464086.db2.gz KIINXSAQNNRVSD-HOCLYGCPSA-N 0 0 335.444 3.810 10 0 EHAERN CC[C@@H](COC(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000105774302 1135975822 /nfs/dbraw/zinc/97/58/22/1135975822.db2.gz PRZKPSWSKOBMPB-HNNXBMFYSA-N 0 0 325.408 3.739 10 0 EHAERN COc1ccc(OCCC(=O)Oc2ccccc2OC(F)F)cc1 ZINC000106028432 1136025715 /nfs/dbraw/zinc/02/57/15/1136025715.db2.gz YQAYKJBIYICZHF-UHFFFAOYSA-N 0 0 338.306 3.671 10 0 EHAERN COc1cccc(CNC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000101601883 1137870922 /nfs/dbraw/zinc/87/09/22/1137870922.db2.gz ZJCOKECECOLLQV-UHFFFAOYSA-N 0 0 328.412 3.943 10 0 EHAERN CC(C)c1nc(CCNC(=O)c2cccc3ncccc32)cs1 ZINC000102376781 1137872902 /nfs/dbraw/zinc/87/29/02/1137872902.db2.gz HUQSRUGKASLTFZ-UHFFFAOYSA-N 0 0 325.437 3.787 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000102483312 1137873255 /nfs/dbraw/zinc/87/32/55/1137873255.db2.gz MXPFPYHIKRFJPO-UHFFFAOYSA-N 0 0 349.434 3.666 10 0 EHAERN C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000102901861 1137874385 /nfs/dbraw/zinc/87/43/85/1137874385.db2.gz LGFONXUNMODCHN-SMDDNHRTSA-N 0 0 330.350 3.587 10 0 EHAERN COCc1cccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103234872 1137875597 /nfs/dbraw/zinc/87/55/97/1137875597.db2.gz STEXGUSVDNRNPV-UHFFFAOYSA-N 0 0 337.423 3.987 10 0 EHAERN COc1ccc2c(c1)CCN2C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000105295974 1137880672 /nfs/dbraw/zinc/88/06/72/1137880672.db2.gz IMBJJPLBOIJBBG-UHFFFAOYSA-N 0 0 345.468 3.722 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000105777402 1137882080 /nfs/dbraw/zinc/88/20/80/1137882080.db2.gz FAUXLENHDIVUNN-NWDGAFQWSA-N 0 0 338.415 3.613 10 0 EHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000333354771 1138280357 /nfs/dbraw/zinc/28/03/57/1138280357.db2.gz SGKKPGMAHGQPSK-AEFFLSMTSA-N 0 0 341.455 3.719 10 0 EHAERN C[C@H]1CC(c2noc([C@@H]3COCCN3CC(F)(F)F)n2)C[C@H](C)C1 ZINC000333707040 1138322936 /nfs/dbraw/zinc/32/29/36/1138322936.db2.gz RQZJFCOEEUDMJV-WZRBSPASSA-N 0 0 347.381 3.545 10 0 EHAERN Cc1oc(-c2ccsc2)nc1CN1NC(=O)CC12CCCCC2 ZINC000333915109 1138347010 /nfs/dbraw/zinc/34/70/10/1138347010.db2.gz YVIKIRUYZAFDIU-UHFFFAOYSA-N 0 0 331.441 3.651 10 0 EHAERN Cc1oc2ccc(NC(=O)N3CCCC[C@@H]3c3nc[nH]n3)cc2c1C ZINC000186485906 1140206649 /nfs/dbraw/zinc/20/66/49/1140206649.db2.gz LGKWOZXDSXMIJQ-OAHLLOKOSA-N 0 0 339.399 3.927 10 0 EHAERN COc1ccc(SCC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187038138 1140233925 /nfs/dbraw/zinc/23/39/25/1140233925.db2.gz UXWMCDSSLTXBNT-INIZCTEOSA-N 0 0 348.493 3.916 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cn(C(C)(C)C)nc2C)cs1 ZINC000188121441 1140284391 /nfs/dbraw/zinc/28/43/91/1140284391.db2.gz NRHYSMCILQXXIR-HNNXBMFYSA-N 0 0 332.473 3.689 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-c3ccccc3)o2)C1 ZINC000190147745 1140389882 /nfs/dbraw/zinc/38/98/82/1140389882.db2.gz MRQVTTOOBINCPU-DLBZAZTESA-N 0 0 339.395 3.600 10 0 EHAERN CC1(C)C[C@H](NC(=O)[C@@H]2CCCc3cccnc32)c2ccccc2O1 ZINC000194698541 1140618803 /nfs/dbraw/zinc/61/88/03/1140618803.db2.gz MJZXYYVZGOGZQL-SJORKVTESA-N 0 0 336.435 3.920 10 0 EHAERN CCC(=O)Oc1c(C)s/c(=N\c2ccc(F)cc2)n1C(=O)CC ZINC000011638118 201811449 /nfs/dbraw/zinc/81/14/49/201811449.db2.gz NMJIESLFHKZJIY-VLGSPTGOSA-N 0 0 336.388 3.595 10 0 EHAERN CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000012493643 201849589 /nfs/dbraw/zinc/84/95/89/201849589.db2.gz QPLFSAZMHUAMKE-IESVZRMLSA-N 0 0 334.500 3.710 10 0 EHAERN COc1ccc(N)cc1COc1ccc(F)cc1Br ZINC000037011540 201854029 /nfs/dbraw/zinc/85/40/29/201854029.db2.gz AFBNMVCIGPNEKD-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN COc1ccc2c3c1Oc1cc(OC)c(OC)cc1C[C@@H]3N(C)CC2 ZINC000030726877 291002406 /nfs/dbraw/zinc/00/24/06/291002406.db2.gz DTMXRZMJFCVJQS-AWEZNQCLSA-N 0 0 341.407 3.590 10 0 biogenic,in-vitro EHAERN Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000020343293 202038956 /nfs/dbraw/zinc/03/89/56/202038956.db2.gz CFHRKXFVGIEGSK-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN Cc1cccc(N2C[C@@H](C(=O)n3cnc4cc(C)c(C)cc43)CC2=O)c1 ZINC000020372623 202040280 /nfs/dbraw/zinc/04/02/80/202040280.db2.gz IPRWFBDUFJVKGH-INIZCTEOSA-N 0 0 347.418 3.655 10 0 EHAERN CCOC(=O)[C@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000037973931 202072120 /nfs/dbraw/zinc/07/21/20/202072120.db2.gz MNEZUIRMGRXWGD-SNVBAGLBSA-N 0 0 330.133 3.750 10 0 EHAERN Cc1noc(CN[C@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000038034459 202090797 /nfs/dbraw/zinc/09/07/97/202090797.db2.gz JOKKVXAKBWVPTE-MRVPVSSYSA-N 0 0 336.189 3.738 10 0 EHAERN Cc1ccc(OCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000027836476 202160927 /nfs/dbraw/zinc/16/09/27/202160927.db2.gz XUMJZZXBYFRMBC-ZIAGYGMSSA-N 0 0 329.362 3.920 10 0 EHAERN Cc1cccc2c(C)cc(=O)n(CC(=O)Nc3cccc(Cl)c3)c12 ZINC000032530444 202226407 /nfs/dbraw/zinc/22/64/07/202226407.db2.gz KLKVPZIGGARSBY-UHFFFAOYSA-N 0 0 340.810 3.910 10 0 EHAERN Cc1cc(C)cc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)c1 ZINC000032526343 202226553 /nfs/dbraw/zinc/22/65/53/202226553.db2.gz ZZYMRYUXMAMPDH-UHFFFAOYSA-N 0 0 334.419 3.956 10 0 EHAERN N[C@H](c1nc(-c2cccc(Br)c2)no1)c1ccccc1 ZINC000034973409 202282764 /nfs/dbraw/zinc/28/27/64/202282764.db2.gz BNWMONGDHVIVPX-ZDUSSCGKSA-N 0 0 330.185 3.547 10 0 EHAERN O=C(Cc1c(F)cccc1Cl)Nc1cccc(Br)n1 ZINC000035678793 202307753 /nfs/dbraw/zinc/30/77/53/202307753.db2.gz XHXWJEJSKCQSNJ-UHFFFAOYSA-N 0 0 343.583 3.818 10 0 EHAERN CCCCn1ccc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc21 ZINC000035875961 202310962 /nfs/dbraw/zinc/31/09/62/202310962.db2.gz SLISXKBKKUNOCB-UHFFFAOYSA-N 0 0 328.437 3.907 10 0 EHAERN C/C=C\CO[C@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000036315953 202321206 /nfs/dbraw/zinc/32/12/06/202321206.db2.gz JJISSRYEWJFUKO-GWQWAINWSA-N 0 0 338.245 3.646 10 0 EHAERN COC(=O)c1sc(-c2cc(Br)ccc2F)cc1N ZINC000036929249 202334758 /nfs/dbraw/zinc/33/47/58/202334758.db2.gz VMQMQHKHPOAVAH-UHFFFAOYSA-N 0 0 330.178 3.686 10 0 EHAERN Cc1c(C(=O)Oc2ccccc2C)nnn1-c1ccc(Cl)cc1 ZINC000036639035 202327813 /nfs/dbraw/zinc/32/78/13/202327813.db2.gz IBMKSLBVZVXFGE-UHFFFAOYSA-N 0 0 327.771 3.757 10 0 EHAERN CCc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1 ZINC000073734953 202366263 /nfs/dbraw/zinc/36/62/63/202366263.db2.gz GNEVERCMWFUQCW-GFCCVEGCSA-N 0 0 340.855 3.504 10 0 EHAERN NC(=O)[C@@H](Nc1ccccc1Br)c1ccccc1Cl ZINC000037944086 202378873 /nfs/dbraw/zinc/37/88/73/202378873.db2.gz CHRALXDSWMZSCE-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN CC[C@H](C)[C@H](N[C@@H](C)c1ccc(Br)s1)C(=O)OC ZINC000038003040 202384842 /nfs/dbraw/zinc/38/48/42/202384842.db2.gz UOBVFBPKGZQQBZ-AUTRQRHGSA-N 0 0 334.279 3.749 10 0 EHAERN COc1ccc(OCC(=O)Nc2ccnc3c(F)cc(F)cc23)cc1 ZINC000041058167 202472027 /nfs/dbraw/zinc/47/20/27/202472027.db2.gz RJISHOJGVQTFPW-UHFFFAOYSA-N 0 0 344.317 3.539 10 0 EHAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N[C@H]1CCCc2ccccc21 ZINC000048648213 201111313 /nfs/dbraw/zinc/11/13/13/201111313.db2.gz JGQIGUXSYVXPTB-HNNXBMFYSA-N 0 0 346.789 3.611 10 0 EHAERN CCCCc1nc2ccccc2n1Cc1nc2ccccc2n1CCO ZINC000044787204 201103667 /nfs/dbraw/zinc/10/36/67/201103667.db2.gz TXTZJXMEXTUDGG-UHFFFAOYSA-N 0 0 348.450 3.769 10 0 EHAERN Cc1csc(N2CCCN(C(=O)Nc3ccc(F)cc3C)CC2)n1 ZINC000056545589 201138114 /nfs/dbraw/zinc/13/81/14/201138114.db2.gz KCVIUHMXBRLEGA-UHFFFAOYSA-N 0 0 348.447 3.643 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3Cl)n2)cc1 ZINC000057341776 201138575 /nfs/dbraw/zinc/13/85/75/201138575.db2.gz RPDJWDGZENRMMM-UHFFFAOYSA-N 0 0 345.761 3.982 10 0 EHAERN COCc1cc(Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000057343588 201138599 /nfs/dbraw/zinc/13/85/99/201138599.db2.gz IHECQPCWCSOTFO-UHFFFAOYSA-N 0 0 333.697 3.919 10 0 EHAERN CC(=C/I)/C(C)=C\I ZINC000083292064 201366946 /nfs/dbraw/zinc/36/69/46/201366946.db2.gz BVNNYDAXKZOWPG-GLIMQPGKSA-N 0 0 333.938 3.664 10 0 EHAERN COc1ccc(C2(O)CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000090547346 201371979 /nfs/dbraw/zinc/37/19/79/201371979.db2.gz MISKMVWKMXPWEK-UHFFFAOYSA-N 0 0 345.442 3.988 10 0 EHAERN Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C)on1 ZINC000027300436 201387427 /nfs/dbraw/zinc/38/74/27/201387427.db2.gz GWYPYISUFIHJJP-UHFFFAOYSA-N 0 0 328.412 3.860 10 0 EHAERN CCOC(=O)C[C@@H](OC(C)=O)c1ccc(OCc2ccccc2)cc1 ZINC000047844248 202586758 /nfs/dbraw/zinc/58/67/58/202586758.db2.gz XXLMHBSEKREMAQ-LJQANCHMSA-N 0 0 342.391 3.823 10 0 EHAERN CCCC1N=NC(=S)N1[C@@H](C)c1cccc(Br)c1 ZINC000049569214 202625848 /nfs/dbraw/zinc/62/58/48/202625848.db2.gz PKMJGQKDPBJSDZ-VIFPVBQESA-N 0 0 326.263 3.891 10 0 EHAERN CC(C)=CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000022833050 212326483 /nfs/dbraw/zinc/32/64/83/212326483.db2.gz XAEALVMUCKKZMA-UHFFFAOYSA-N 0 0 327.453 3.606 10 0 EHAERN O=c1[nH]nc(SCc2ccc(Cl)cc2)n1[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215712800 241139712 /nfs/dbraw/zinc/13/97/12/241139712.db2.gz RXFGXLAWXKSNCZ-SCRDCRAPSA-N 0 0 333.844 3.654 10 0 EHAERN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)NC1CCCC1 ZINC000021033931 212202334 /nfs/dbraw/zinc/20/23/34/212202334.db2.gz GCPCGZXAZJZWFH-UHFFFAOYSA-N 0 0 346.452 3.748 10 0 EHAERN NC(=O)c1sc2nc(-c3ccc(Cl)c(Cl)c3)ccc2c1N ZINC000064746257 202816883 /nfs/dbraw/zinc/81/68/83/202816883.db2.gz YCNNDBGQPIJJRF-UHFFFAOYSA-N 0 0 338.219 3.951 10 0 EHAERN CC(C)CNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266292 202833020 /nfs/dbraw/zinc/83/30/20/202833020.db2.gz BFNMZZWYLVSUBE-OAHLLOKOSA-N 0 0 348.512 3.543 10 0 EHAERN CCOC(=O)N(CCNC(=O)OC(C)(C)C)[C@@H](C)c1ccccc1 ZINC000253560647 244026199 /nfs/dbraw/zinc/02/61/99/244026199.db2.gz BBEVKCBCBHASHY-AWEZNQCLSA-N 0 0 336.432 3.731 10 0 EHAERN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]1OCCC(=O)[C@H]12 ZINC000253596613 244032416 /nfs/dbraw/zinc/03/24/16/244032416.db2.gz UBWYZPIHNVMDTI-MZHDVBAJSA-N 0 0 344.495 3.894 10 0 EHAERN Brc1nc(C2CCOCC2)sc1Br ZINC000072192904 203183390 /nfs/dbraw/zinc/18/33/90/203183390.db2.gz ZUSVDDSKLWPCFK-UHFFFAOYSA-N 0 0 327.041 3.562 10 0 EHAERN C[C@@H]1CCCN(c2nc(Br)c(Br)s2)C1 ZINC000072192927 203183642 /nfs/dbraw/zinc/18/36/42/203183642.db2.gz UCLLMFMJNLGDAR-ZCFIWIBFSA-N 0 0 340.084 3.904 10 0 EHAERN COc1ccc(-c2ccnc(N3CCc4ccccc4C3)n2)cc1OC ZINC000072443406 203225629 /nfs/dbraw/zinc/22/56/29/203225629.db2.gz PXPVNUPXMOKCAR-UHFFFAOYSA-N 0 0 347.418 3.724 10 0 EHAERN Cc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)c(Cl)c1 ZINC000072465120 203229012 /nfs/dbraw/zinc/22/90/12/203229012.db2.gz NGCBXSLCIAQHKB-UHFFFAOYSA-N 0 0 330.819 3.599 10 0 EHAERN C[C@H](Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1Br ZINC000019966478 212090279 /nfs/dbraw/zinc/09/02/79/212090279.db2.gz JGUNKXPYPPFINP-VIFPVBQESA-N 0 0 345.196 3.506 10 0 EHAERN Cc1cc(Br)ccc1NC1CCC2(CC1)OCCO2 ZINC000019905646 212081435 /nfs/dbraw/zinc/08/14/35/212081435.db2.gz UMHZJWBUBQBJFH-UHFFFAOYSA-N 0 0 326.234 3.855 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ccnc(Cl)n2)C1 ZINC000085333155 203543342 /nfs/dbraw/zinc/54/33/42/203543342.db2.gz VZBYRBGWHCGFPU-SNVBAGLBSA-N 0 0 329.853 3.622 10 0 EHAERN NC(=S)Cc1ccc(OCc2cccc(Br)c2)cc1 ZINC000019440380 212028132 /nfs/dbraw/zinc/02/81/32/212028132.db2.gz VPORXCJOLFQVAJ-UHFFFAOYSA-N 0 0 336.254 3.857 10 0 EHAERN COc1ccc(N)cc1CN(C)Cc1csc(Br)c1 ZINC000042360306 204089173 /nfs/dbraw/zinc/08/91/73/204089173.db2.gz RLYASJNRCQDNCI-UHFFFAOYSA-N 0 0 341.274 3.733 10 0 EHAERN COC(=O)[C@@]1(Nc2ccccc2Br)CCC[C@@H](C)C1 ZINC000104174483 204098458 /nfs/dbraw/zinc/09/84/58/204098458.db2.gz ZECUGPWHHQLABW-IAQYHMDHSA-N 0 0 326.234 3.983 10 0 EHAERN CNc1ccc(C(=O)N(C)Cc2cc(Br)cs2)cc1 ZINC000050777257 204857319 /nfs/dbraw/zinc/85/73/19/204857319.db2.gz QAYVYKAZVXFKNA-UHFFFAOYSA-N 0 0 339.258 3.825 10 0 EHAERN CC(C)[C@H](Sc1nnc(C2CC2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000030628578 519824037 /nfs/dbraw/zinc/82/40/37/519824037.db2.gz PFRWJSOZBKSQDD-WFASDCNBSA-N 0 0 344.484 3.676 10 0 EHAERN CCC[C@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116544652 521132330 /nfs/dbraw/zinc/13/23/30/521132330.db2.gz ZVZHVBOMBBAOEG-WMZOPIPTSA-N 0 0 332.492 3.668 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCCc2c(O)cccc21)c1nc(C)cs1 ZINC000188659357 522468656 /nfs/dbraw/zinc/46/86/56/522468656.db2.gz RJOYEMMSXVOZMF-LSDHHAIUSA-N 0 0 345.468 3.985 10 0 EHAERN O=C(Cc1csc(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041109396 527332333 /nfs/dbraw/zinc/33/23/33/527332333.db2.gz JZQUKFWFJAWYHQ-IRXDYDNUSA-N 0 0 342.464 3.523 10 0 EHAERN O[C@@H](CNc1ccccc1)Cn1c2ccccc2nc1C(F)(F)F ZINC000057340601 527655687 /nfs/dbraw/zinc/65/56/87/527655687.db2.gz BGYLTEVHEKRAIC-ZDUSSCGKSA-N 0 0 335.329 3.528 10 0 EHAERN CC(C)[C@@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 ZINC000005442581 560202152 /nfs/dbraw/zinc/20/21/52/560202152.db2.gz QTYCMDBMOLSEAM-BPQIPLTHSA-N 0 0 333.863 3.588 10 0 in-vitro EHAERN Cn1nc(C(C)(C)C)cc1C(=O)Oc1ccc(C(F)(F)F)cc1 ZINC000000127831 563237253 /nfs/dbraw/zinc/23/72/53/563237253.db2.gz OEYBQRWHGHBRFB-UHFFFAOYSA-N 0 0 326.318 3.956 10 0 EHAERN COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=S)N1c1ccccc1 ZINC000000424772 563309819 /nfs/dbraw/zinc/30/98/19/563309819.db2.gz ODPXFIVKZZWSOW-KSSFIOAISA-N 0 0 326.421 3.630 10 0 EHAERN Cc1nnc(SC(=Cc2cccs2)C(=O)N2CCC(C)CC2)[nH]1 ZINC000048513042 563930585 /nfs/dbraw/zinc/93/05/85/563930585.db2.gz FOGJQAURWOLUEW-GXDHUFHOSA-N 0 0 348.497 3.566 10 0 EHAERN Cc1c2c(cc3c1C=CCC1=C3COC1=O)C(=O)O[C@H]2c1ccoc1 ZINC000006069197 563982908 /nfs/dbraw/zinc/98/29/08/563982908.db2.gz HIBSGIRHUQGFAD-SFHVURJKSA-N 0 0 334.327 3.575 10 0 biogenic EHAERN O=C(NCc1ccc(F)cc1Cl)c1coc(=O)c2ccccc12 ZINC000000211856 563988629 /nfs/dbraw/zinc/98/86/29/563988629.db2.gz JTQYDGUBZAZGTF-UHFFFAOYSA-N 0 0 331.730 3.516 10 0 EHAERN CC(C)(C)OC(=O)Nc1cc(Cl)ccc1C(=O)[C@H]1CCOC1 ZINC000407986203 564004185 /nfs/dbraw/zinc/00/41/85/564004185.db2.gz NJTABZCGXCGQFH-JTQLQIEISA-N 0 0 325.792 3.906 10 0 EHAERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 ZINC000583619748 564018123 /nfs/dbraw/zinc/01/81/23/564018123.db2.gz CDFXIQCEGWRRGS-JXFKEZNVSA-N 0 0 339.439 3.829 10 0 EHAERN CCN(CC)C(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000006772111 564097487 /nfs/dbraw/zinc/09/74/87/564097487.db2.gz WKUADLLDXLUXIA-QFIPXVFZSA-N 0 0 339.844 3.723 10 0 EHAERN COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccccc2)n1 ZINC000034020434 564129202 /nfs/dbraw/zinc/12/92/02/564129202.db2.gz DZZNKQZVRXQKLX-UHFFFAOYSA-N 0 0 327.775 3.526 10 0 EHAERN CCOC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000048544688 564129354 /nfs/dbraw/zinc/12/93/54/564129354.db2.gz IVPRDWXACOWPTJ-UHFFFAOYSA-N 0 0 342.178 3.546 10 0 EHAERN CCOc1ccccc1NC(=O)C1=CC(=O)C[C@H](c2ccccc2)O1 ZINC000048547571 564129373 /nfs/dbraw/zinc/12/93/73/564129373.db2.gz KNHZCYILOZPYOO-GOSISDBHSA-N 0 0 337.375 3.638 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c(Cl)n1 ZINC000182304783 1032087745 /nfs/dbraw/zinc/08/77/45/1032087745.db2.gz JAYZAYANZCQSQA-JSGCOSHPSA-N 0 0 330.815 3.646 10 0 EHAERN C[C@H]1CCN(Cc2csc(C(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000689089447 976216211 /nfs/dbraw/zinc/21/62/11/976216211.db2.gz QYTJVWUCAVHEEF-HNNXBMFYSA-N 0 0 344.480 3.543 10 0 EHAERN CCSC1(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000691839186 976383951 /nfs/dbraw/zinc/38/39/51/976383951.db2.gz CUFSULDFRNVJDO-UHFFFAOYSA-N 0 0 344.274 3.523 10 0 EHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccccc1Br ZINC000692407915 976448703 /nfs/dbraw/zinc/44/87/03/976448703.db2.gz HETAKMMHMCXHBF-UHFFFAOYSA-N 0 0 348.240 3.926 10 0 EHAERN CCC[C@](C)([NH2+]Cc1cccc(Br)c1Cl)C(=O)[O-] ZINC000706424415 977315923 /nfs/dbraw/zinc/31/59/23/977315923.db2.gz HRPHILWFTKQPEW-ZDUSSCGKSA-N 0 0 334.641 3.836 10 0 EHAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CCCCCN(Cc3ccccc3)C2)o1 ZINC000709625896 977461704 /nfs/dbraw/zinc/46/17/04/977461704.db2.gz VHUNXUNPADDZNE-QGZVFWFLSA-N 0 0 342.439 3.512 10 0 EHAERN C[C@H]1CCN(Cc2cc(C(=O)[O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000711407845 977544970 /nfs/dbraw/zinc/54/49/70/977544970.db2.gz RSDKUVNCNQPXMH-HNNXBMFYSA-N 0 0 344.480 3.543 10 0 EHAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000716470061 977842237 /nfs/dbraw/zinc/84/22/37/977842237.db2.gz NVYQNEAUIHPVPL-QQUHWDOBSA-N 0 0 338.245 3.529 10 0 EHAERN Cc1cc(Br)ccc1C[N@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000724872117 978246594 /nfs/dbraw/zinc/24/65/94/978246594.db2.gz ORZKUTNHNZYZEM-UHFFFAOYSA-N 0 0 338.201 3.681 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@H](C)c2c(C)noc2C)cs1 ZINC000187009084 1014898992 /nfs/dbraw/zinc/89/89/92/1014898992.db2.gz HRQOZXGLMPXAJM-BONVTDFDSA-N 0 0 333.457 3.914 10 0 EHAERN CCc1csc([C@@H]2CCCN(C(=O)c3cccc4cn[nH]c43)C2)n1 ZINC000113201867 1016323185 /nfs/dbraw/zinc/32/31/85/1016323185.db2.gz VICOTJBKCKWKHC-CYBMUJFWSA-N 0 0 340.452 3.602 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(C)CCCCCC1 ZINC000179653384 1016883130 /nfs/dbraw/zinc/88/31/30/1016883130.db2.gz QQMSNLRJWZLFCZ-HNNXBMFYSA-N 0 0 347.507 3.896 10 0 EHAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000138869382 1017009518 /nfs/dbraw/zinc/00/95/18/1017009518.db2.gz PACKVXWFFCXPAR-FGTMMUONSA-N 0 0 346.519 3.599 10 0 EHAERN Cn1c2cc(N[C@H]3CC4(CCC4)Oc4ccccc43)ccc2oc1=O ZINC000183075429 1032159052 /nfs/dbraw/zinc/15/90/52/1032159052.db2.gz XRNBWCUNHQHWMY-HNNXBMFYSA-N 0 0 336.391 3.990 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3ccc(O)cc3)C2)cc1 ZINC000183918100 1032242363 /nfs/dbraw/zinc/24/23/63/1032242363.db2.gz CHICFXSXDYOWKB-MAUKXSAKSA-N 0 0 339.435 3.738 10 0 EHAERN COCC[C@H](Cc1cccc(F)c1)Nc1cccc2c1OCC[C@@H]2O ZINC000184571962 1032296452 /nfs/dbraw/zinc/29/64/52/1032296452.db2.gz OCNMUNUEMCOYGG-APWZRJJASA-N 0 0 345.414 3.701 10 0 EHAERN CC[C@H](NC(=O)N1CCSC2(CCOCC2)C1)c1cccs1 ZINC000185210804 1032369809 /nfs/dbraw/zinc/36/98/09/1032369809.db2.gz AUMVUGLDDOOAFZ-ZDUSSCGKSA-N 0 0 340.514 3.507 10 0 EHAERN C[C@@H]1COCC[C@H]1C(=O)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588599746 1032452738 /nfs/dbraw/zinc/45/27/38/1032452738.db2.gz UHSBZNHMOACURJ-KUXCDZRCSA-N 0 0 328.330 3.934 10 0 EHAERN CC[C@@]1(C)CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000081319958 1032535576 /nfs/dbraw/zinc/53/55/76/1032535576.db2.gz UYWGNJAANWLDCO-IBGZPJMESA-N 0 0 348.512 3.639 10 0 EHAERN Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247065497 1017401647 /nfs/dbraw/zinc/40/16/47/1017401647.db2.gz PVIAGGYPJUTKPW-QRFRQXIXSA-N 0 0 330.472 3.701 10 0 EHAERN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000163735245 1017785230 /nfs/dbraw/zinc/78/52/30/1017785230.db2.gz ATHBGFHSHVWUGU-GFCCVEGCSA-N 0 0 340.214 3.871 10 0 EHAERN CCC[C@H](C)C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000052166655 1018771962 /nfs/dbraw/zinc/77/19/62/1018771962.db2.gz MOMDPXIMOZSQEU-ZDUSSCGKSA-N 0 0 343.393 3.575 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000246467430 1021079788 /nfs/dbraw/zinc/07/97/88/1021079788.db2.gz GLJRZCYZFGYPBV-IIYDPXPESA-N 0 0 348.418 3.555 10 0 EHAERN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000247977645 1021478240 /nfs/dbraw/zinc/47/82/40/1021478240.db2.gz GQTQLOLQGQCFSE-IAQYHMDHSA-N 0 0 333.819 3.815 10 0 EHAERN CC(C)(C)/C=C\C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000588427086 1021615443 /nfs/dbraw/zinc/61/54/43/1021615443.db2.gz PZTBNROHLMLRNS-SREVYHEPSA-N 0 0 336.863 3.713 10 0 EHAERN C[C@@H]1CC(C(=O)Nc2cc3c(cc2Cl)OCCCO3)C[C@@H](C)O1 ZINC000093909810 1021997559 /nfs/dbraw/zinc/99/75/59/1021997559.db2.gz YWBAULMRENYWRG-GHMZBOCLSA-N 0 0 339.819 3.643 10 0 EHAERN Clc1cccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000333814611 1022173970 /nfs/dbraw/zinc/17/39/70/1022173970.db2.gz IQTMMDWAFBHOIJ-CAOSSQGBSA-N 0 0 345.830 3.530 10 0 EHAERN COc1ccc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c(OC)c1 ZINC000333823596 1022209408 /nfs/dbraw/zinc/20/94/08/1022209408.db2.gz KGKMGJBTWUQBBQ-IZSNYMMISA-N 0 0 330.428 3.604 10 0 EHAERN Cc1nc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c(C)o1 ZINC000293292153 1022221352 /nfs/dbraw/zinc/22/13/52/1022221352.db2.gz IDGHEJRIOPDXIQ-OAHLLOKOSA-N 0 0 326.396 3.858 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN(Cc3nc(C4CCCC4)no3)C2)no1 ZINC000328684941 1022466114 /nfs/dbraw/zinc/46/61/14/1022466114.db2.gz XAOBOCQCYBNADO-CQSZACIVSA-N 0 0 345.447 3.613 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000588451254 1023011223 /nfs/dbraw/zinc/01/12/23/1023011223.db2.gz VCSYYXSOKZBBBX-HJWRWDBZSA-N 0 0 334.341 3.781 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC(CC)(CC)CC1 ZINC000189896476 1023131393 /nfs/dbraw/zinc/13/13/93/1023131393.db2.gz FXVPXFBFMQYKOF-HNNXBMFYSA-N 0 0 347.507 3.677 10 0 EHAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000119506545 1033115908 /nfs/dbraw/zinc/11/59/08/1033115908.db2.gz WLDUBHMIXYJGRC-KZNAEPCWSA-N 0 0 344.503 3.781 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000180323997 1023280024 /nfs/dbraw/zinc/28/00/24/1023280024.db2.gz RRAUKAKDUFGXNB-VHSXEESVSA-N 0 0 326.853 3.599 10 0 EHAERN CCOc1ccccc1CCC(=O)N(C)Cc1ccc(OC)c(C)c1 ZINC000103023087 1023999134 /nfs/dbraw/zinc/99/91/34/1023999134.db2.gz LLJPZVUHYLNVMW-UHFFFAOYSA-N 0 0 341.451 3.994 10 0 EHAERN CO[C@H](C)c1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248157497 1024003473 /nfs/dbraw/zinc/00/34/73/1024003473.db2.gz RPYMHRAQIQVBFU-SIXWZSSISA-N 0 0 332.444 3.553 10 0 EHAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)NC1(c2ccccc2)CCCC1 ZINC000113840578 1024005778 /nfs/dbraw/zinc/00/57/78/1024005778.db2.gz ZIYAUJYHZOMICG-KRWDZBQOSA-N 0 0 334.419 3.698 10 0 EHAERN C/C(=C/C(=O)N1CCC(=O)[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000588613572 1033190030 /nfs/dbraw/zinc/19/00/30/1033190030.db2.gz ZLZCCILLYZMODM-UCQJPZFISA-N 0 0 325.330 3.546 10 0 EHAERN CC(C)c1cnc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000192393926 1024244263 /nfs/dbraw/zinc/24/42/63/1024244263.db2.gz FMGLEEDOZLUALK-OLZOCXBDSA-N 0 0 333.461 3.768 10 0 EHAERN CC1CCN(C(=O)c2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000329922176 1024252003 /nfs/dbraw/zinc/25/20/03/1024252003.db2.gz HWLTWTZGKZGLRG-AEFFLSMTSA-N 0 0 341.455 3.575 10 0 EHAERN CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)C1CCCCC1 ZINC000074054975 1024446135 /nfs/dbraw/zinc/44/61/35/1024446135.db2.gz YZPDSPXCRUWYLF-OAHLLOKOSA-N 0 0 348.512 3.782 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CCO2)o1 ZINC000151724387 1024500109 /nfs/dbraw/zinc/50/01/09/1024500109.db2.gz NWSCDYISNWFWOB-LZWOXQAQSA-N 0 0 331.437 3.662 10 0 EHAERN CCc1ccc(NC(=O)c2nnc(CN3CCCC3(C)C)s2)cc1 ZINC000102930931 1024511189 /nfs/dbraw/zinc/51/11/89/1024511189.db2.gz WNRILOYDXDLHCL-UHFFFAOYSA-N 0 0 344.484 3.727 10 0 EHAERN Cc1cncc(/C=C/C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000152071830 1025149095 /nfs/dbraw/zinc/14/90/95/1025149095.db2.gz KWGVZWVDOUIJSO-VOTSOKGWSA-N 0 0 339.414 3.645 10 0 EHAERN CC(C)(C)c1cnc(N2C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C2=O)s1 ZINC000329208197 1025666674 /nfs/dbraw/zinc/66/66/74/1025666674.db2.gz BPFQKSQBPUAUBN-WOPDTQHZSA-N 0 0 333.457 3.540 10 0 EHAERN CC(C)(C)c1cc(NC(=O)N2C[C@H]3CCC[C@@H]32)n(-c2ccccn2)n1 ZINC000329399991 1025812099 /nfs/dbraw/zinc/81/20/99/1025812099.db2.gz AYMVQVQEAKZBME-KGLIPLIRSA-N 0 0 339.443 3.581 10 0 EHAERN C[C@H]1CC(c2noc(CN3C(=O)COc4ccccc43)n2)C[C@H](C)C1 ZINC000329547678 1025982076 /nfs/dbraw/zinc/98/20/76/1025982076.db2.gz BAEOJRHDHMRPKG-CHWSQXEVSA-N 0 0 341.411 3.535 10 0 EHAERN CCOc1ccccc1CCC(=O)Nc1ccc(C(=O)OC)cc1F ZINC000103935013 1026140222 /nfs/dbraw/zinc/14/02/22/1026140222.db2.gz GFOGYFGWPIEPIX-UHFFFAOYSA-N 0 0 345.370 3.582 10 0 EHAERN C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000152496194 1026219416 /nfs/dbraw/zinc/21/94/16/1026219416.db2.gz UIIYNALYCRMOJQ-CYBMUJFWSA-N 0 0 329.400 3.803 10 0 EHAERN CC[C@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1ccc2c(c1)CCO2 ZINC000167946980 1026618333 /nfs/dbraw/zinc/61/83/33/1026618333.db2.gz KOJUURAUHUDROI-IRXDYDNUSA-N 0 0 340.471 3.912 10 0 EHAERN CSCc1cccc(CNC(=O)/C=C\c2ccnc(Cl)c2)c1 ZINC000588545912 1027231402 /nfs/dbraw/zinc/23/14/02/1027231402.db2.gz KJLRTXWCOWAMDR-WAYWQWQTSA-N 0 0 332.856 3.928 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000126995522 1027260719 /nfs/dbraw/zinc/26/07/19/1027260719.db2.gz YOMNZSOZIQKSQC-BDPCEXEFSA-N 0 0 326.399 3.703 10 0 EHAERN Cc1cn2c(CN3CCC[C@H]3c3noc(C(C)C)n3)c(C)nc2s1 ZINC000127861536 1027362241 /nfs/dbraw/zinc/36/22/41/1027362241.db2.gz IPSWHALUFKGHJG-ZDUSSCGKSA-N 0 0 345.472 3.856 10 0 EHAERN CC1(C)CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000129277903 1027540918 /nfs/dbraw/zinc/54/09/18/1027540918.db2.gz HIBRRZLMUJKLIM-OAHLLOKOSA-N 0 0 332.469 3.575 10 0 EHAERN CCNC(=O)c1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000047561616 1027591481 /nfs/dbraw/zinc/59/14/81/1027591481.db2.gz HGEJWOQMIUKPDQ-UHFFFAOYSA-N 0 0 349.434 3.758 10 0 EHAERN O=C(c1cc(F)c(F)cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000131243730 1027752430 /nfs/dbraw/zinc/75/24/30/1027752430.db2.gz MXLVPNLXAZDVES-VIFPVBQESA-N 0 0 326.343 3.580 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1csc(-c2ccco2)n1 ZINC000131793685 1027819526 /nfs/dbraw/zinc/81/95/26/1027819526.db2.gz XFQWBGNDQKPQQU-BZNIZROVSA-N 0 0 340.404 3.584 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(OC(C)C)cc3)CCO2)o1 ZINC000153497925 1028021859 /nfs/dbraw/zinc/02/18/59/1028021859.db2.gz IDIDOCSPBHEGJG-SFHVURJKSA-N 0 0 344.411 3.981 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C3(c4ccccc4C)CC3)CCO2)o1 ZINC000133538621 1028041193 /nfs/dbraw/zinc/04/11/93/1028041193.db2.gz ONHHYCIEGAHDQO-GOSISDBHSA-N 0 0 325.408 3.528 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4c(cc(C)cc4C)[nH]3)CCO2)o1 ZINC000133599947 1028045632 /nfs/dbraw/zinc/04/56/32/1028045632.db2.gz NVOXULNKXAJLIN-LJQANCHMSA-N 0 0 338.407 3.900 10 0 EHAERN CCOCCC1(CNC(=O)[C@H]2Oc3ccccc3[C@H]2C)CCCC1 ZINC000134143899 1028096053 /nfs/dbraw/zinc/09/60/53/1028096053.db2.gz ALRYHWKZYHJBSW-QAPCUYQASA-N 0 0 331.456 3.654 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccncc1 ZINC000134171034 1028098831 /nfs/dbraw/zinc/09/88/31/1028098831.db2.gz JIHUVGPFURRZMX-HIFRSBDPSA-N 0 0 345.830 3.659 10 0 EHAERN COc1ccccc1[C@@H](NC(=O)N[C@H](C)CC1CC1)c1ccccn1 ZINC000134234438 1028104823 /nfs/dbraw/zinc/10/48/23/1028104823.db2.gz IOACLWFKRFIGRR-AUUYWEPGSA-N 0 0 339.439 3.667 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000134597989 1028130417 /nfs/dbraw/zinc/13/04/17/1028130417.db2.gz APKMNNGXYNKJIG-GUYCJALGSA-N 0 0 345.830 3.659 10 0 EHAERN CCCc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000136960683 1028282313 /nfs/dbraw/zinc/28/23/13/1028282313.db2.gz FHDHOHWYKTXMPT-GOSISDBHSA-N 0 0 325.412 3.719 10 0 EHAERN O=C(N[C@@H]1CC=CCC1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246384557 1028306073 /nfs/dbraw/zinc/30/60/73/1028306073.db2.gz IORNJJQKGZCGND-KURKYZTESA-N 0 0 332.419 3.532 10 0 EHAERN O=C(Nc1cc(F)ccc1Cl)N1CC[C@H](Oc2cccnc2)C1 ZINC000137361958 1028308803 /nfs/dbraw/zinc/30/88/03/1028308803.db2.gz BAPJYCABMIMHCW-ZDUSSCGKSA-N 0 0 335.766 3.559 10 0 EHAERN COc1ccccc1/C(C)=C/C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067047049 1028351554 /nfs/dbraw/zinc/35/15/54/1028351554.db2.gz PEUXKAQWKMYCRK-OKFGHLOFSA-N 0 0 342.464 3.961 10 0 EHAERN COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccncc1 ZINC000069727910 1028438051 /nfs/dbraw/zinc/43/80/51/1028438051.db2.gz GMLVLMRYOCVYDO-YOEHRIQHSA-N 0 0 325.412 3.698 10 0 EHAERN Cc1nc(NC(=O)[C@@H]2CCCc3cccnc32)ccc1Br ZINC000194538553 1028541251 /nfs/dbraw/zinc/54/12/51/1028541251.db2.gz QDSLWQCOEZVCHW-GFCCVEGCSA-N 0 0 346.228 3.606 10 0 EHAERN c1csc([C@H]2CCCN(Cc3nnc(-c4ccccc4)o3)C2)n1 ZINC000195353910 1028596571 /nfs/dbraw/zinc/59/65/71/1028596571.db2.gz MHPGONVADYPEJV-AWEZNQCLSA-N 0 0 326.425 3.573 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)c1nc(-c2cccc(F)c2)no1 ZINC000074201361 1028603468 /nfs/dbraw/zinc/60/34/68/1028603468.db2.gz GOIXEYFDUQFZKS-MNOVXSKESA-N 0 0 334.395 3.671 10 0 EHAERN Cc1cc(C)c(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000195351655 1028636345 /nfs/dbraw/zinc/63/63/45/1028636345.db2.gz DBBUADIHUNLJNA-MRXNPFEDSA-N 0 0 343.496 3.886 10 0 EHAERN CCc1ccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)cc1 ZINC000195352154 1028636607 /nfs/dbraw/zinc/63/66/07/1028636607.db2.gz RXPCIFRRBDGHJK-HNNXBMFYSA-N 0 0 329.469 3.524 10 0 EHAERN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2Oc3ccccc3[C@@H]2C)s1 ZINC000246721564 1028682814 /nfs/dbraw/zinc/68/28/14/1028682814.db2.gz OGFFDANWMXTYNX-PKWAYOAASA-N 0 0 330.453 3.844 10 0 EHAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245416646 1028704113 /nfs/dbraw/zinc/70/41/13/1028704113.db2.gz FIZSFGUWIQWOFN-DVOMOZLQSA-N 0 0 329.831 3.755 10 0 EHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CCCN(c3ccccn3)CC2)CC1 ZINC000248721758 1028941897 /nfs/dbraw/zinc/94/18/97/1028941897.db2.gz HYRQSPVSBYKYPB-IYARVYRRSA-N 0 0 329.488 3.583 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@H]2CCO[C@H]21 ZINC000248874349 1028961644 /nfs/dbraw/zinc/96/16/44/1028961644.db2.gz BZDTXRSBWDGFRM-BZHVJNSISA-N 0 0 344.242 3.511 10 0 EHAERN CCCCN(C)c1ccc(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000249577753 1029010016 /nfs/dbraw/zinc/01/00/16/1029010016.db2.gz ALKHVEHAHZPFRP-KSZLIROESA-N 0 0 331.460 3.612 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000245743123 1029225329 /nfs/dbraw/zinc/22/53/29/1029225329.db2.gz CFNBHNPBUMQLBM-KCPJHIHWSA-N 0 0 337.872 3.749 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccnc3Cl)C2)cc1 ZINC000078187611 1029239239 /nfs/dbraw/zinc/23/92/39/1029239239.db2.gz QTHHQHGJZCFFHA-JSGCOSHPSA-N 0 0 330.815 3.762 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1Cl ZINC000245781981 1029291214 /nfs/dbraw/zinc/29/12/14/1029291214.db2.gz HQJUMXVWWQIRCS-ZLKJLUDKSA-N 0 0 326.223 3.681 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)CCCSC(C)(C)C)CC2)n1 ZINC000155152563 1029447030 /nfs/dbraw/zinc/44/70/30/1029447030.db2.gz QJYIRSJCKSVJJV-UHFFFAOYSA-N 0 0 349.544 3.787 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@@H](C)c3cccnc3)C2)cc1 ZINC000155457106 1029542294 /nfs/dbraw/zinc/54/22/94/1029542294.db2.gz GHQYYKCFMOSIGY-RVKKMQEKSA-N 0 0 339.439 3.739 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2c(F)cc(Cl)cc2F)[C@H]2CCO[C@H]21 ZINC000246012996 1029570567 /nfs/dbraw/zinc/57/05/67/1029570567.db2.gz IMANTILAKOWZTC-BZHVJNSISA-N 0 0 330.762 3.553 10 0 EHAERN Cc1ccc(CN(C)C(=O)NC2CCN(c3cccs3)CC2)s1 ZINC000155661627 1029602029 /nfs/dbraw/zinc/60/20/29/1029602029.db2.gz MRXUMQHVURKZMK-UHFFFAOYSA-N 0 0 349.525 3.928 10 0 EHAERN O=C(c1cccc(Cl)n1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000155979394 1029704824 /nfs/dbraw/zinc/70/48/24/1029704824.db2.gz YJIBCEGPGYKLOV-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN Cc1[nH]c2ccccc2c1C(=O)NC1CCN(c2cccs2)CC1 ZINC000156032084 1029727708 /nfs/dbraw/zinc/72/77/08/1029727708.db2.gz VPQVPSQHDSPLHL-UHFFFAOYSA-N 0 0 339.464 3.937 10 0 EHAERN O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@@H](c2nccs2)C1 ZINC000114804828 1029827691 /nfs/dbraw/zinc/82/76/91/1029827691.db2.gz MGHRSNHYKDVDIT-SECBINFHSA-N 0 0 341.358 3.972 10 0 EHAERN CCc1onc(C)c1NC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000089419378 1029906795 /nfs/dbraw/zinc/90/67/95/1029906795.db2.gz XLMSQPFSVQHILN-DOMZBBRYSA-N 0 0 343.427 3.964 10 0 EHAERN Cc1csc(C2CCN(Cc3nc(CCC(C)C)no3)CC2)n1 ZINC000156798340 1030025182 /nfs/dbraw/zinc/02/51/82/1030025182.db2.gz VZFVAXMLXBUKMK-UHFFFAOYSA-N 0 0 334.489 3.803 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(OC)c3F)C2)cc1 ZINC000090420173 1030112514 /nfs/dbraw/zinc/11/25/14/1030112514.db2.gz ANAZKFQZZDBZCK-HIFRSBDPSA-N 0 0 343.398 3.861 10 0 EHAERN COc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1F ZINC000090689815 1030166746 /nfs/dbraw/zinc/16/67/46/1030166746.db2.gz XCTULHBXPMMDSE-UHFFFAOYSA-N 0 0 346.377 3.690 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000252801671 1030446957 /nfs/dbraw/zinc/44/69/57/1030446957.db2.gz HAISATGITUASLQ-HPBDAGMYSA-N 0 0 328.456 3.703 10 0 EHAERN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc(C=O)cc4)C3)nc2c1 ZINC000160004941 1030487454 /nfs/dbraw/zinc/48/74/54/1030487454.db2.gz CCMIGIQUNDNKFG-KRWDZBQOSA-N 0 0 347.418 3.704 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000093793858 1030677224 /nfs/dbraw/zinc/67/72/24/1030677224.db2.gz AZSWXDKXWBESKM-CQSZACIVSA-N 0 0 334.435 3.705 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000170632171 1030689769 /nfs/dbraw/zinc/68/97/69/1030689769.db2.gz MEAIXEUUVFRPMC-ROUUACIJSA-N 0 0 349.390 3.843 10 0 EHAERN O=C(c1ccc(Br)o1)N1CCC[C@H](c2nccs2)C1 ZINC000170890754 1030710682 /nfs/dbraw/zinc/71/06/82/1030710682.db2.gz OZSXRQCLFAHPAG-VIFPVBQESA-N 0 0 341.230 3.518 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)c1nccs1 ZINC000171562272 1030794801 /nfs/dbraw/zinc/79/48/01/1030794801.db2.gz HOAMKFMADTUZDK-IUODEOHRSA-N 0 0 333.432 3.760 10 0 EHAERN C[C@@]1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CC1(Cl)Cl ZINC000115219779 1030832999 /nfs/dbraw/zinc/83/29/99/1030832999.db2.gz JFCLWJUNFJEOSJ-HNNXBMFYSA-N 0 0 346.229 3.779 10 0 EHAERN O=C(Nc1ccc2c(c1)CCCO2)N1CCC[C@H](c2nccs2)C1 ZINC000172216338 1030872019 /nfs/dbraw/zinc/87/20/19/1030872019.db2.gz ZTLOPJQNPZZXDD-AWEZNQCLSA-N 0 0 343.452 3.880 10 0 EHAERN C/C(=C\C(=O)NC1CCN(c2cccc(C)n2)CC1)c1ccccc1 ZINC000172249393 1030876303 /nfs/dbraw/zinc/87/63/03/1030876303.db2.gz YWPMJMRIWDACCC-FOCLMDBBSA-N 0 0 335.451 3.579 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3cccc(C(F)F)c3)CC2)n1 ZINC000172248319 1030877082 /nfs/dbraw/zinc/87/70/82/1030877082.db2.gz LBBHVQOFIQUCLP-UHFFFAOYSA-N 0 0 345.393 3.726 10 0 EHAERN O=C(CCC1CCCC1)NCC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000102338453 1030901628 /nfs/dbraw/zinc/90/16/28/1030901628.db2.gz CJPOOTNEBBFWQK-KRWDZBQOSA-N 0 0 348.874 3.530 10 0 EHAERN O=C(CCC1CCCC1)NCC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000102338456 1030901638 /nfs/dbraw/zinc/90/16/38/1030901638.db2.gz CJPOOTNEBBFWQK-QGZVFWFLSA-N 0 0 348.874 3.530 10 0 EHAERN O=C([C@H]1CSc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000172379391 1030952361 /nfs/dbraw/zinc/95/23/61/1030952361.db2.gz JXDUQHPJOPXMMW-JSGCOSHPSA-N 0 0 330.478 3.739 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2cc(F)cc(F)c2)cc1 ZINC000172856139 1031013754 /nfs/dbraw/zinc/01/37/54/1031013754.db2.gz CDVOMGRASYTQNT-GOSISDBHSA-N 0 0 346.377 3.749 10 0 EHAERN CCOCOc1ccc(COC(=O)/C=C\c2scnc2C)cc1 ZINC000588585985 1031063244 /nfs/dbraw/zinc/06/32/44/1031063244.db2.gz KATVUTNRQLEQDG-HJWRWDBZSA-N 0 0 333.409 3.581 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCCOC(C)C)cc1 ZINC000173812539 1031145764 /nfs/dbraw/zinc/14/57/64/1031145764.db2.gz QTUNFAXKOMXMTB-KRWDZBQOSA-N 0 0 337.485 3.517 10 0 EHAERN O=C(c1ccc(F)cc1F)N1CCC(Nc2ccccc2F)CC1 ZINC000174092379 1031164440 /nfs/dbraw/zinc/16/44/40/1031164440.db2.gz OHPOHWAPMIAYAG-UHFFFAOYSA-N 0 0 334.341 3.821 10 0 EHAERN COc1cccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174151485 1031171433 /nfs/dbraw/zinc/17/14/33/1031171433.db2.gz CNVXOBAZGZOHLQ-UHFFFAOYSA-N 0 0 343.402 3.943 10 0 EHAERN CCc1nnc(-c2ccc(NC(=O)[C@@H]3Oc4ccccc4[C@H]3C)cc2)o1 ZINC000175810149 1031381975 /nfs/dbraw/zinc/38/19/75/1031381975.db2.gz KAYGWYVMIOUKOK-KZULUSFZSA-N 0 0 349.390 3.802 10 0 EHAERN C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1nccs1 ZINC000158506833 1031405512 /nfs/dbraw/zinc/40/55/12/1031405512.db2.gz JTGYKUNQUCKZES-CYBMUJFWSA-N 0 0 338.436 3.766 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CC2(CC2)c2ccccc21 ZINC000176541518 1031460006 /nfs/dbraw/zinc/46/00/06/1031460006.db2.gz ZQSMHVNEWXTRPN-IEBWSBKVSA-N 0 0 334.419 3.778 10 0 EHAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)Nc3cccc(C)c3C)CCO2)o1 ZINC000158647808 1031514202 /nfs/dbraw/zinc/51/42/02/1031514202.db2.gz VXWNUEYTYBKVHG-APWZRJJASA-N 0 0 342.439 3.605 10 0 EHAERN O=C(c1ccc(F)c(Cl)c1)N1CCC(Cc2ccccn2)CC1 ZINC000177896695 1031635784 /nfs/dbraw/zinc/63/57/84/1031635784.db2.gz DIFLYNOCVZLUGO-UHFFFAOYSA-N 0 0 332.806 3.969 10 0 EHAERN O=C(c1ncncc1Cl)N1CCSc2ccc(Cl)cc21 ZINC000178489374 1031670534 /nfs/dbraw/zinc/67/05/34/1031670534.db2.gz FMHXMTKOSJHYEI-UHFFFAOYSA-N 0 0 326.208 3.536 10 0 EHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cc(C2CC2)n[nH]1 ZINC000178340788 1031682543 /nfs/dbraw/zinc/68/25/43/1031682543.db2.gz WQQHPGZGVQWWDX-KRWDZBQOSA-N 0 0 337.423 3.854 10 0 EHAERN C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000178896666 1031737293 /nfs/dbraw/zinc/73/72/93/1031737293.db2.gz UUOOXBKTFVDMQP-IYPOZPNPSA-N 0 0 329.371 3.731 10 0 EHAERN Cc1nc([C@@H](NC(=O)N(CC(C)C)C(C)C)c2ccccc2F)no1 ZINC000178891979 1031738852 /nfs/dbraw/zinc/73/88/52/1031738852.db2.gz WSXJORCHJYJYPE-INIZCTEOSA-N 0 0 348.422 3.683 10 0 EHAERN COc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)ccc1Cl ZINC000179354326 1031739464 /nfs/dbraw/zinc/73/94/64/1031739464.db2.gz DQAGVIHNSAUAIL-UHFFFAOYSA-N 0 0 344.842 3.839 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(C)cc3)CCO2)o1 ZINC000179121815 1031752453 /nfs/dbraw/zinc/75/24/53/1031752453.db2.gz URNLWIDOSKWFMD-MAUKXSAKSA-N 0 0 328.412 3.741 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000117570352 1031754658 /nfs/dbraw/zinc/75/46/58/1031754658.db2.gz ZZHWIKUHJLRCRY-BDJLRTHQSA-N 0 0 337.404 3.708 10 0 EHAERN CSc1ccc(CNC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000179174393 1031755153 /nfs/dbraw/zinc/75/51/53/1031755153.db2.gz ZPKMAWUPLRKLGB-KRWDZBQOSA-N 0 0 346.452 3.593 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179241116 1031760363 /nfs/dbraw/zinc/76/03/63/1031760363.db2.gz XNAQHFSMXZHJLD-OQPBUACISA-N 0 0 343.326 3.770 10 0 EHAERN O=C(c1cc(C2CCCCC2)n[nH]1)N1CCC[C@H](c2nccs2)C1 ZINC000179320849 1031766249 /nfs/dbraw/zinc/76/62/49/1031766249.db2.gz JGQSDMWNEVVWIE-AWEZNQCLSA-N 0 0 344.484 3.934 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCC[C@H]1c1ccncc1 ZINC000179509261 1031783135 /nfs/dbraw/zinc/78/31/35/1031783135.db2.gz HIJIKLCKEXMDRN-KRWDZBQOSA-N 0 0 333.395 3.841 10 0 EHAERN CN1CC[C@@H](CNC(=O)CCc2ccc3[nH]ccc3c2)c2ccccc21 ZINC000179934932 1031821194 /nfs/dbraw/zinc/82/11/94/1031821194.db2.gz GEBMMEJCKJCGGD-SFHVURJKSA-N 0 0 347.462 3.840 10 0 EHAERN Cc1ccc([C@H]2CN([C@@H](C)C(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000159088578 1031867499 /nfs/dbraw/zinc/86/74/99/1031867499.db2.gz OEWRIRVDBHZEEF-SUMWQHHRSA-N 0 0 348.830 3.642 10 0 EHAERN Cc1cc([C@@H](C)N[C@@H]2CCCn3ncnc32)ccc1Br ZINC000180731112 1031903860 /nfs/dbraw/zinc/90/38/60/1031903860.db2.gz IVXMRYSIEISPLJ-BXUZGUMPSA-N 0 0 335.249 3.535 10 0 EHAERN O=C(c1cc(-c2ccco2)on1)N1CC=C(c2cccs2)CC1 ZINC000117856789 1031910239 /nfs/dbraw/zinc/91/02/39/1031910239.db2.gz CJAMEUTXGJWMEX-UHFFFAOYSA-N 0 0 326.377 3.926 10 0 EHAERN COC(=O)Nc1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117857321 1031910431 /nfs/dbraw/zinc/91/04/31/1031910431.db2.gz NUFCNCAXWNMELX-UHFFFAOYSA-N 0 0 342.420 3.856 10 0 EHAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1CC=C(c2cccs2)CC1 ZINC000117895295 1031920422 /nfs/dbraw/zinc/92/04/22/1031920422.db2.gz YFFASMFNCRIDDB-LBPRGKRZSA-N 0 0 347.871 3.913 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000159255466 1031980860 /nfs/dbraw/zinc/98/08/60/1031980860.db2.gz SMCQUWVYXRYXLJ-RTBURBONSA-N 0 0 325.408 3.682 10 0 EHAERN CC(C)c1cc(C(=O)N2CC=C(c3cccs3)CC2)cc(=O)[nH]1 ZINC000181390538 1031982869 /nfs/dbraw/zinc/98/28/69/1031982869.db2.gz ZSAYAIJRJKKQKW-UHFFFAOYSA-N 0 0 328.437 3.902 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000181450925 1032028769 /nfs/dbraw/zinc/02/87/69/1032028769.db2.gz YMZIYOJAQGZBRV-HNAYVOBHSA-N 0 0 348.450 3.506 10 0 EHAERN O=C(CCCc1nc2ccccc2s1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000121366779 1034846127 /nfs/dbraw/zinc/84/61/27/1034846127.db2.gz LDOCGHAIPMPYLK-GOEBONIOSA-N 0 0 344.480 3.647 10 0 EHAERN CCC[C@@H](OC)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000450990977 1035003115 /nfs/dbraw/zinc/00/31/15/1035003115.db2.gz VTCOKZUUCQOIKX-MRXNPFEDSA-N 0 0 330.428 3.657 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185845940 1035546659 /nfs/dbraw/zinc/54/66/59/1035546659.db2.gz WSRVHHZUZOPWDP-IAGOWNOFSA-N 0 0 335.407 3.715 10 0 EHAERN COc1ccccc1/C=C/CNCc1ncc(-c2ccccc2)cn1 ZINC000185871100 1035552896 /nfs/dbraw/zinc/55/28/96/1035552896.db2.gz WQMMUGZAJRHHSS-YRNVUSSQSA-N 0 0 331.419 3.955 10 0 EHAERN CC(=O)Nc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186063195 1035574119 /nfs/dbraw/zinc/57/41/19/1035574119.db2.gz YQJNCCNINYMOMD-HNNXBMFYSA-N 0 0 346.434 3.953 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)/C=C/c2ccc3ccccc3c2)cn1 ZINC000186191355 1035600386 /nfs/dbraw/zinc/60/03/86/1035600386.db2.gz GZQWIXHNRDPLLQ-WAEYIKQSSA-N 0 0 331.419 3.950 10 0 EHAERN Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)nc(C(F)(F)F)n1 ZINC000186098353 1035602291 /nfs/dbraw/zinc/60/22/91/1035602291.db2.gz DXJYIDHZLQMDNY-UHFFFAOYSA-N 0 0 347.340 3.733 10 0 EHAERN O=C(/C=C/c1ccc(Cl)s1)N1CCCN(c2ccccn2)CC1 ZINC000186411631 1035630284 /nfs/dbraw/zinc/63/02/84/1035630284.db2.gz NLCAEMHVLGSLDK-SOFGYWHQSA-N 0 0 347.871 3.549 10 0 EHAERN CC[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccs1 ZINC000186632304 1035675594 /nfs/dbraw/zinc/67/55/94/1035675594.db2.gz MPVSEYTZBVNGLS-CYBMUJFWSA-N 0 0 344.440 3.998 10 0 EHAERN COc1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccc1F ZINC000187040832 1035744703 /nfs/dbraw/zinc/74/47/03/1035744703.db2.gz LEDWLJHYFWIFGS-UHFFFAOYSA-N 0 0 349.431 3.686 10 0 EHAERN O=C(CCN1CCO[C@@H](c2ccsc2)C1)c1ccc(F)cc1F ZINC000187159428 1035778225 /nfs/dbraw/zinc/77/82/25/1035778225.db2.gz CLKYDVJXTRKCMN-QGZVFWFLSA-N 0 0 337.391 3.673 10 0 EHAERN C[C@H](CCC(C)(C)C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187173152 1035779642 /nfs/dbraw/zinc/77/96/42/1035779642.db2.gz FZUSLSUWZYRZPA-CYBMUJFWSA-N 0 0 338.521 3.944 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000188301115 1035909266 /nfs/dbraw/zinc/90/92/66/1035909266.db2.gz ASKZGMANPNTFFU-UHFFFAOYSA-N 0 0 346.456 3.650 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(SC(F)(F)F)cc1 ZINC000188466112 1035939503 /nfs/dbraw/zinc/93/95/03/1035939503.db2.gz NGMQRMRMDYKSSL-UPJWGTAASA-N 0 0 331.359 3.596 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(-c2ccc(F)cc2)cc1F ZINC000188510573 1035946106 /nfs/dbraw/zinc/94/61/06/1035946106.db2.gz OHIYPQYOMOCDCD-QRQLOZEOSA-N 0 0 343.373 3.929 10 0 EHAERN CC[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CC[C@H]1c1ccccc1 ZINC000188606202 1035963704 /nfs/dbraw/zinc/96/37/04/1035963704.db2.gz KDFDUPSMUOCNPB-HNAYVOBHSA-N 0 0 348.446 3.837 10 0 EHAERN COc1ccccc1CN(C)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188605185 1035963731 /nfs/dbraw/zinc/96/37/31/1035963731.db2.gz QQHLFYHBAQMLNE-KRWDZBQOSA-N 0 0 340.423 3.669 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)[C@H]2C ZINC000188755637 1035981205 /nfs/dbraw/zinc/98/12/05/1035981205.db2.gz VUBPOIZELSZBNA-QLFBSQMISA-N 0 0 332.492 3.767 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cn1 ZINC000189106289 1036040200 /nfs/dbraw/zinc/04/02/00/1036040200.db2.gz GUCCJGKSQHQTIF-AWEZNQCLSA-N 0 0 332.429 3.614 10 0 EHAERN CC(C)c1nc(C(=O)N2CC3(CCOCC3)c3ccccc32)cs1 ZINC000189797024 1036129038 /nfs/dbraw/zinc/12/90/38/1036129038.db2.gz MHEGPVRQBVAFPH-UHFFFAOYSA-N 0 0 342.464 3.975 10 0 EHAERN Cc1nn(C)cc1NC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000189727776 1036135118 /nfs/dbraw/zinc/13/51/18/1036135118.db2.gz RIDXEXOUCXBGSV-ZDUSSCGKSA-N 0 0 335.411 3.673 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000189750514 1036137240 /nfs/dbraw/zinc/13/72/40/1036137240.db2.gz COXCMMRBGAYVKG-RLFYNMQTSA-N 0 0 346.471 3.712 10 0 EHAERN O=C(c1cccc2ncccc21)N1CC2(CCOCC2)c2ccccc21 ZINC000189805247 1036147860 /nfs/dbraw/zinc/14/78/60/1036147860.db2.gz CYSXLJGGBJAPCY-UHFFFAOYSA-N 0 0 344.414 3.943 10 0 EHAERN CC(C)(C)c1ncc(CN2CCC(Nc3nccs3)CC2)s1 ZINC000189956778 1036166646 /nfs/dbraw/zinc/16/66/46/1036166646.db2.gz LINADJIXCBRQTM-UHFFFAOYSA-N 0 0 336.530 3.974 10 0 EHAERN Cc1nc(CC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cs1 ZINC000190279921 1036215547 /nfs/dbraw/zinc/21/55/47/1036215547.db2.gz BWMYOCKINNFJCN-GFCCVEGCSA-N 0 0 336.407 3.678 10 0 EHAERN CCc1cc(C(=O)N2CCC(Nc3nccs3)CC2)oc1CC ZINC000190389291 1036233076 /nfs/dbraw/zinc/23/30/76/1036233076.db2.gz GXBNXGNVKLFVFH-UHFFFAOYSA-N 0 0 333.457 3.578 10 0 EHAERN COc1ccc(NC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000191141662 1036342508 /nfs/dbraw/zinc/34/25/08/1036342508.db2.gz XLIHTTVUDFHFHW-UHFFFAOYSA-N 0 0 338.407 3.796 10 0 EHAERN Cc1cnc([C@@H](C)CNC(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000191424152 1036382532 /nfs/dbraw/zinc/38/25/32/1036382532.db2.gz FDDAQUYAFICWTA-WFASDCNBSA-N 0 0 345.468 3.686 10 0 EHAERN COC(=O)[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C ZINC000191785656 1036430489 /nfs/dbraw/zinc/43/04/89/1036430489.db2.gz JMKLMFJNFKNSJE-DOMZBBRYSA-N 0 0 348.830 3.626 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCC(=O)OC(C)(C)C)C2)cc1 ZINC000192316235 1036496826 /nfs/dbraw/zinc/49/68/26/1036496826.db2.gz HRFROKKJZFJFKX-GDBMZVCRSA-N 0 0 347.455 3.522 10 0 EHAERN O=C(NCCc1cccnc1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000192660140 1036521003 /nfs/dbraw/zinc/52/10/03/1036521003.db2.gz PTYYOUBYJFDXFX-UHFFFAOYSA-N 0 0 349.438 3.522 10 0 EHAERN C[C@@H](c1ccccc1)N(C)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193248870 1036583286 /nfs/dbraw/zinc/58/32/86/1036583286.db2.gz MYEVRKIJGREETP-WMLDXEAASA-N 0 0 337.423 3.515 10 0 EHAERN CC[C@@H](C(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000193339663 1036594487 /nfs/dbraw/zinc/59/44/87/1036594487.db2.gz DXRJKXZMIWZRLV-MSOLQXFVSA-N 0 0 334.423 3.513 10 0 EHAERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000091033119 1036738880 /nfs/dbraw/zinc/73/88/80/1036738880.db2.gz SWFIAWLAUXIXPY-UGSOOPFHSA-N 0 0 338.407 3.587 10 0 EHAERN C[C@H]1CN(c2ccc(CNC(=O)CCCC(C)(C)C)cn2)C[C@H](C)O1 ZINC000103380062 1036893526 /nfs/dbraw/zinc/89/35/26/1036893526.db2.gz YIGILMPIGLRQPT-HOTGVXAUSA-N 0 0 347.503 3.528 10 0 EHAERN Cc1csc([C@H](C)NC(=O)c2ccc(-n3cccc3)c(F)c2)n1 ZINC000104403446 1037035415 /nfs/dbraw/zinc/03/54/15/1037035415.db2.gz FAINBZUBZCTWBN-LBPRGKRZSA-N 0 0 329.400 3.872 10 0 EHAERN FC(F)(F)COc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000105606411 1037219406 /nfs/dbraw/zinc/21/94/06/1037219406.db2.gz OJEGDQUFWODVEL-UHFFFAOYSA-N 0 0 339.273 3.883 10 0 EHAERN CC[C@@H](CC(=O)NCc1ccc(OC)c(OC(F)F)c1)C(C)C ZINC000104252136 1037248554 /nfs/dbraw/zinc/24/85/54/1037248554.db2.gz XKRULZYFSHFMRK-ZDUSSCGKSA-N 0 0 329.387 3.985 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000104461575 1037298268 /nfs/dbraw/zinc/29/82/68/1037298268.db2.gz DLYFIIDHHLCYKA-UHFFFAOYSA-N 0 0 336.435 3.729 10 0 EHAERN O=C(c1ccoc1Br)N1CCC(Cc2ccccn2)CC1 ZINC000193563759 1037339439 /nfs/dbraw/zinc/33/94/39/1037339439.db2.gz OQLQKGATDPDYAX-UHFFFAOYSA-N 0 0 349.228 3.532 10 0 EHAERN C[C@@H](Nc1cccc2c1CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCOC1 ZINC000302093591 1037588202 /nfs/dbraw/zinc/58/82/02/1037588202.db2.gz FXDWAEVDIZOCSD-GDBMZVCRSA-N 0 0 346.471 3.817 10 0 EHAERN Cn1ccnc1CC1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000105875771 1037603868 /nfs/dbraw/zinc/60/38/68/1037603868.db2.gz NBRGEFAVTRQGEF-UHFFFAOYSA-N 0 0 342.468 3.591 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000112600871 1037766480 /nfs/dbraw/zinc/76/64/80/1037766480.db2.gz KDGXPSIQFLQVDM-ZDUSSCGKSA-N 0 0 343.496 3.818 10 0 EHAERN C[C@H](CC1CC1)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000112606675 1037767080 /nfs/dbraw/zinc/76/70/80/1037767080.db2.gz UFJCTSVKFFWBQD-LLVKDONJSA-N 0 0 334.366 3.857 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000112722931 1037768508 /nfs/dbraw/zinc/76/85/08/1037768508.db2.gz LBTZBPDZADVFFO-ZDUSSCGKSA-N 0 0 326.444 3.641 10 0 EHAERN CCc1csc([C@H]2CCCN(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)n1 ZINC000113206363 1037779128 /nfs/dbraw/zinc/77/91/28/1037779128.db2.gz LVYHMANFFHJFQP-IINYFYTJSA-N 0 0 347.311 3.995 10 0 EHAERN Cc1cc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1F ZINC000114820879 1037809412 /nfs/dbraw/zinc/80/94/12/1037809412.db2.gz IWTWFODNYYBDCC-CQSZACIVSA-N 0 0 333.432 3.680 10 0 EHAERN CCOC(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1 ZINC000117611213 1037855711 /nfs/dbraw/zinc/85/57/11/1037855711.db2.gz SBKUSJKNNNCWJF-SJKOYZFVSA-N 0 0 340.379 3.758 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000117595058 1037855733 /nfs/dbraw/zinc/85/57/33/1037855733.db2.gz RAOSGRJSFBREDL-KPZWWZAWSA-N 0 0 336.391 3.538 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117652090 1037857631 /nfs/dbraw/zinc/85/76/31/1037857631.db2.gz CTCHCMHEEGRWBF-KZULUSFZSA-N 0 0 327.380 3.597 10 0 EHAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117721715 1037862190 /nfs/dbraw/zinc/86/21/90/1037862190.db2.gz IERPLZMHMBEMQK-UHFFFAOYSA-N 0 0 336.416 3.931 10 0 EHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000119467380 1037903158 /nfs/dbraw/zinc/90/31/58/1037903158.db2.gz GMNRWHZATVYOTA-CGTJXYLNSA-N 0 0 342.487 3.535 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H]1c1cccs1)CCC2 ZINC000332676707 1037950426 /nfs/dbraw/zinc/95/04/26/1037950426.db2.gz DADLHXZSNVFYTH-HUUCEWRRSA-N 0 0 344.484 3.677 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1)CCC2 ZINC000332680122 1037951494 /nfs/dbraw/zinc/95/14/94/1037951494.db2.gz GYZKPBATOYFUSC-DZGCQCFKSA-N 0 0 346.862 3.783 10 0 EHAERN CC[C@H](C)CN(CC)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124211011 1038152377 /nfs/dbraw/zinc/15/23/77/1038152377.db2.gz PRSVZXFOAHGTKK-LRDDRELGSA-N 0 0 348.422 3.684 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000125518995 1038338999 /nfs/dbraw/zinc/33/89/99/1038338999.db2.gz QFYJVHPFVWHVSV-RHSMWYFYSA-N 0 0 332.444 3.897 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112890760 1039030441 /nfs/dbraw/zinc/03/04/41/1039030441.db2.gz FMESRTQOFPOHDM-GJZGRUSLSA-N 0 0 341.317 3.757 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2nc(C)c(C)s2)o1 ZINC000408402387 1039127023 /nfs/dbraw/zinc/12/70/23/1039127023.db2.gz ICDPLTMKOAQSPO-ZDUSSCGKSA-N 0 0 340.470 3.577 10 0 EHAERN CC(C)N(C)c1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000125749865 1039244583 /nfs/dbraw/zinc/24/45/83/1039244583.db2.gz BJZGGNPHIIJMRH-UZLBHIALSA-N 0 0 345.487 3.690 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCO[C@@H](C2CCCCC2)C1 ZINC000332895654 1040177036 /nfs/dbraw/zinc/17/70/36/1040177036.db2.gz KJQRKEOBBOXLLP-PKOBYXMFSA-N 0 0 344.455 3.501 10 0 EHAERN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000245641133 1040222454 /nfs/dbraw/zinc/22/24/54/1040222454.db2.gz DKXMHLLKNBRDOC-PWBULWKKSA-N 0 0 338.398 3.673 10 0 EHAERN O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCC[C@@H](c2nccs2)C1 ZINC000157034020 1040321516 /nfs/dbraw/zinc/32/15/16/1040321516.db2.gz XCSVQFKXJSYHPI-HUUCEWRRSA-N 0 0 349.500 3.524 10 0 EHAERN C[C@H](NC(=O)N(C)C1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000043481910 1041576588 /nfs/dbraw/zinc/57/65/88/1041576588.db2.gz RDJMUYAVEZRYGR-AWEZNQCLSA-N 0 0 332.444 3.883 10 0 EHAERN Cc1nc([C@@H]2CCCCCN2C(=O)[C@@H]2CCc3ccccc32)no1 ZINC000408156406 1041890742 /nfs/dbraw/zinc/89/07/42/1041890742.db2.gz ZLMIKSKMRINYJZ-SJORKVTESA-N 0 0 325.412 3.552 10 0 EHAERN CC(=O)Nc1cccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000162459096 1042729815 /nfs/dbraw/zinc/72/98/15/1042729815.db2.gz MMSPLEXRUXDKOU-ORAYPTAESA-N 0 0 349.438 3.512 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)c3cn(C)nc3C(C)C)C2)sc1C ZINC000408233038 1042812607 /nfs/dbraw/zinc/81/26/07/1042812607.db2.gz XVHHPSPEVKMIBS-CQSZACIVSA-N 0 0 346.500 3.637 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)N(C)C2CCCCC2)o1 ZINC000408236896 1042821459 /nfs/dbraw/zinc/82/14/59/1042821459.db2.gz OPFZSQYKLDYYBE-INIZCTEOSA-N 0 0 340.489 3.624 10 0 EHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330290531 1042831684 /nfs/dbraw/zinc/83/16/84/1042831684.db2.gz CJSJEBRJCCEOQJ-KBXCAEBGSA-N 0 0 338.455 3.904 10 0 EHAERN Cc1ccc(-c2noc(CCC(=O)N3CC[C@@H]4CCC[C@H]43)n2)cc1F ZINC000330290863 1042834224 /nfs/dbraw/zinc/83/42/24/1042834224.db2.gz COELDUPPPTZFEY-XJKSGUPXSA-N 0 0 343.402 3.518 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408254190 1042870776 /nfs/dbraw/zinc/87/07/76/1042870776.db2.gz BRBFBWQYOSMRRS-BMIGLBTASA-N 0 0 344.242 3.547 10 0 EHAERN Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408305574 1043006108 /nfs/dbraw/zinc/00/61/08/1043006108.db2.gz LCTSJFOTXKYVDN-INIZCTEOSA-N 0 0 341.329 3.579 10 0 EHAERN O=C(Nc1cccc(Br)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247433377 1043035350 /nfs/dbraw/zinc/03/53/50/1043035350.db2.gz NWCKRVDNBYOZHO-BFHYXJOUSA-N 0 0 339.233 3.528 10 0 EHAERN CC(C)c1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000408320064 1043111171 /nfs/dbraw/zinc/11/11/71/1043111171.db2.gz LHZNHYSUGOJNCC-AZUAARDMSA-N 0 0 330.472 3.647 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)cnc1N1CCCC[C@H]1C ZINC000408333969 1043273251 /nfs/dbraw/zinc/27/32/51/1043273251.db2.gz KDCPWYCIIHJZQV-BFYDXBDKSA-N 0 0 331.460 3.522 10 0 EHAERN O=C(NCc1ccc(Cl)nc1)N1CC=C(c2ccccc2F)CC1 ZINC000162763685 1043784649 /nfs/dbraw/zinc/78/46/49/1043784649.db2.gz CBUYCSIFNSCRGK-UHFFFAOYSA-N 0 0 345.805 3.873 10 0 EHAERN CCc1nc(CNC(=O)N2CC=C(c3ccccc3F)CC2)cs1 ZINC000163055703 1043893694 /nfs/dbraw/zinc/89/36/94/1043893694.db2.gz LVIKKMHKGAUORW-UHFFFAOYSA-N 0 0 345.443 3.844 10 0 EHAERN CC[C@H](C)Oc1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000105017270 1127905942 /nfs/dbraw/zinc/90/59/42/1127905942.db2.gz KZVHPADNBLRSDA-YJBOKZPZSA-N 0 0 342.439 3.589 10 0 EHAERN CSc1ccccc1[C@H](C)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000282221756 1128101223 /nfs/dbraw/zinc/10/12/23/1128101223.db2.gz MXZOGIVKAFSQTG-KHYOSLBOSA-N 0 0 348.512 3.806 10 0 EHAERN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NC1CCCC1 ZINC000003532421 1121068022 /nfs/dbraw/zinc/06/80/22/1121068022.db2.gz VKKSCLJQXSCGDJ-LLVKDONJSA-N 0 0 348.497 3.821 10 0 EHAERN Cc1csc([C@H]2COCCN2CCSc2ccccc2F)n1 ZINC000189293286 1132257673 /nfs/dbraw/zinc/25/76/73/1132257673.db2.gz BGLNWTNHCBNESH-CQSZACIVSA-N 0 0 338.473 3.756 10 0 EHAERN CC(C)(NC(=O)/C=C/c1cnc2ccccc2n1)c1ccc(F)cc1 ZINC000103053824 1132649303 /nfs/dbraw/zinc/64/93/03/1132649303.db2.gz URZAPTQSULJRND-VAWYXSNFSA-N 0 0 335.382 3.834 10 0 EHAERN CCOCCO[C@H](C)C(=O)OC(c1ccccc1)c1ccccc1 ZINC000105760173 1135974810 /nfs/dbraw/zinc/97/48/10/1135974810.db2.gz ACINMXYJQWDDRP-MRXNPFEDSA-N 0 0 328.408 3.761 10 0 EHAERN CCOCCO[C@H](C)C(=O)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000105766950 1135975746 /nfs/dbraw/zinc/97/57/46/1135975746.db2.gz YMPPTYRSMHISNN-DNVCBOLYSA-N 0 0 346.398 3.900 10 0 EHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000101950330 1137872288 /nfs/dbraw/zinc/87/22/88/1137872288.db2.gz COVIETCVGPOABO-HNNXBMFYSA-N 0 0 340.814 3.979 10 0 EHAERN COc1ccc(OC)c([C@H](C)NCc2nc(-c3cccs3)no2)c1 ZINC000102695926 1137873739 /nfs/dbraw/zinc/87/37/39/1137873739.db2.gz YXEUSFDVTNYPGM-NSHDSACASA-N 0 0 345.424 3.666 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccccc1C(F)(F)F ZINC000104837234 1137879540 /nfs/dbraw/zinc/87/95/40/1137879540.db2.gz YDQUVQMRPSOORK-UHFFFAOYSA-N 0 0 342.748 3.955 10 0 EHAERN CC[C@H]1CN(C(=O)Nc2ncc(OC)cn2)CC[C@H]1c1ccccc1 ZINC000333233927 1137958951 /nfs/dbraw/zinc/95/89/51/1137958951.db2.gz YPJVDVNBMZRWGL-WMLDXEAASA-N 0 0 340.427 3.533 10 0 EHAERN Cn1ccnc1[C@H]1N(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1(C)C ZINC000333298647 1138275183 /nfs/dbraw/zinc/27/51/83/1138275183.db2.gz BXJGPUSZNGRUAJ-YESZJQIVSA-N 0 0 344.503 3.729 10 0 EHAERN CC(C)(C)[C@H]1CCC[C@@H](NC(=O)N2CCc3cncnc3C2)CC1 ZINC000333313789 1138276077 /nfs/dbraw/zinc/27/60/77/1138276077.db2.gz JRLLNUXMPJAXSD-JKSUJKDBSA-N 0 0 330.476 3.539 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@H]3CC(=O)N(CC4CC4)C3)no2)C1(C)C ZINC000333860871 1138340244 /nfs/dbraw/zinc/34/02/44/1138340244.db2.gz PVWRQJHHYAOTHQ-PJFSTRORSA-N 0 0 331.460 3.509 10 0 EHAERN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333993571 1138358697 /nfs/dbraw/zinc/35/86/97/1138358697.db2.gz LXGYMFVPOISJPX-ARFHVFGLSA-N 0 0 334.419 3.554 10 0 EHAERN CC1(C)C[C@@H](C(=O)N[C@H]2CCc3ccccc3C2=O)c2ccccc2O1 ZINC000334116324 1138373337 /nfs/dbraw/zinc/37/33/37/1138373337.db2.gz HKQXWMAKWQTAED-MSOLQXFVSA-N 0 0 349.430 3.645 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000187000370 1140231732 /nfs/dbraw/zinc/23/17/32/1140231732.db2.gz JYSPYRLMDYSDRI-CYBMUJFWSA-N 0 0 335.358 3.676 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(=O)[nH]c(C(C)C)c2)cs1 ZINC000187093985 1140238434 /nfs/dbraw/zinc/23/84/34/1140238434.db2.gz XHTAFFVYJMYMHC-HNNXBMFYSA-N 0 0 331.441 3.653 10 0 EHAERN COCCC[C@@H](O)c1ccc(Br)cc1C(F)(F)F ZINC000054270171 214228664 /nfs/dbraw/zinc/22/86/64/214228664.db2.gz CCMRYWPTONYPLC-LLVKDONJSA-N 0 0 327.140 3.928 10 0 EHAERN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@H]1CCCC[C@H]1O ZINC000060382031 214635570 /nfs/dbraw/zinc/63/55/70/214635570.db2.gz KRUDGQYOUTUZQA-LSDHHAIUSA-N 0 0 346.427 3.543 10 0 EHAERN COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1OC ZINC000013737714 201912976 /nfs/dbraw/zinc/91/29/76/201912976.db2.gz BWIYMDQJIKNCMK-UHFFFAOYSA-N 0 0 325.364 3.936 10 0 in-vivo EHAERN CSCC(=O)N(Cc1ccccn1)[C@H]1CCCc2ccccc21 ZINC000020419524 202041248 /nfs/dbraw/zinc/04/12/48/202041248.db2.gz OOPHFUUHKGKWMB-SFHVURJKSA-N 0 0 326.465 3.851 10 0 EHAERN CCOc1cc(Cl)ccc1C(=O)Nc1cccc(OC(C)=O)c1 ZINC000021025472 202061103 /nfs/dbraw/zinc/06/11/03/202061103.db2.gz XQHBXFYDZLBCJF-UHFFFAOYSA-N 0 0 333.771 3.916 10 0 EHAERN CCOC(=O)[C@@](C)(NC1CCCC1)c1ccc(Br)cc1 ZINC000037970630 202071302 /nfs/dbraw/zinc/07/13/02/202071302.db2.gz JDLHTKDPMAVALJ-INIZCTEOSA-N 0 0 340.261 3.760 10 0 EHAERN CC(C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1Br ZINC000037976304 202072060 /nfs/dbraw/zinc/07/20/60/202072060.db2.gz NYNQHZAOJXLBTG-NSHDSACASA-N 0 0 336.229 3.894 10 0 EHAERN O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CN1C1CCCC1 ZINC000023582033 202105424 /nfs/dbraw/zinc/10/54/24/202105424.db2.gz UCBDWTDHWUJKJB-CYBMUJFWSA-N 0 0 329.831 3.989 10 0 EHAERN CCCNC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000025425868 202131293 /nfs/dbraw/zinc/13/12/93/202131293.db2.gz HNGLTQRSSXXMRB-UHFFFAOYSA-N 0 0 327.815 3.883 10 0 EHAERN COC(=O)[C@H](Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000037960452 213176200 /nfs/dbraw/zinc/17/62/00/213176200.db2.gz AJKRQABZUWGRHY-HNNXBMFYSA-N 0 0 334.213 3.645 10 0 EHAERN C[C@H](NC(=O)c1cc(Cl)ccn1)c1cccc(Br)c1 ZINC000030465764 202195823 /nfs/dbraw/zinc/19/58/23/202195823.db2.gz FTNJJJSMLZJYDI-VIFPVBQESA-N 0 0 339.620 3.989 10 0 EHAERN Cc1cc(=O)n(Cc2ccc(C(=O)OC(C)C)cc2)c2ccccc12 ZINC000032530368 202226436 /nfs/dbraw/zinc/22/64/36/202226436.db2.gz OUXPJNOHYFZFDJ-UHFFFAOYSA-N 0 0 335.403 3.923 10 0 EHAERN CC(C)n1cc(C(=O)Nc2cccnc2)c(=O)c2cc(Cl)ccc21 ZINC000032607935 202228653 /nfs/dbraw/zinc/22/86/53/202228653.db2.gz UBMAUUKDRDWJNE-UHFFFAOYSA-N 0 0 341.798 3.883 10 0 EHAERN CC[C@@H](C(=O)NC1CCCCCC1)N1c2ccccc2CCCC1=O ZINC000032929356 202242918 /nfs/dbraw/zinc/24/29/18/202242918.db2.gz ZLHLWKBNYNXEBK-SFHVURJKSA-N 0 0 342.483 3.974 10 0 EHAERN Fc1ccc(OC[C@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686954 202275421 /nfs/dbraw/zinc/27/54/21/202275421.db2.gz XVILCUKMMVMQRC-GOSISDBHSA-N 0 0 335.806 3.759 10 0 EHAERN CN(C)c1cccc(C(=O)N2CCC(n3cnc4ccccc43)CC2)c1 ZINC000034915168 202281482 /nfs/dbraw/zinc/28/14/82/202281482.db2.gz JYFAPIUMOJYJCB-UHFFFAOYSA-N 0 0 348.450 3.580 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000035143599 202287698 /nfs/dbraw/zinc/28/76/98/202287698.db2.gz QBZMTEVWLLGXAP-UHFFFAOYSA-N 0 0 325.799 3.540 10 0 EHAERN O=C(NC1CC1)[C@H](N[C@@H](c1ccoc1)c1ccccc1)c1ccccc1 ZINC000069900543 202297658 /nfs/dbraw/zinc/29/76/58/202297658.db2.gz ZBVFZOYHSUAJAD-NHCUHLMSSA-N 0 0 346.430 3.979 10 0 EHAERN COC(=O)c1cc(-c2ccco2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615728 202327552 /nfs/dbraw/zinc/32/75/52/202327552.db2.gz ZLZDVQLISUQPOP-UHFFFAOYSA-N 0 0 337.310 3.582 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc3ccccc3nc2Cl)C1 ZINC000073735983 202367268 /nfs/dbraw/zinc/36/72/68/202367268.db2.gz GAZHUAZEOPMYPT-LLVKDONJSA-N 0 0 348.834 3.705 10 0 EHAERN C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000073655029 202370195 /nfs/dbraw/zinc/37/01/95/202370195.db2.gz BKAOGRHFXDDISZ-ZBFHGGJFSA-N 0 0 348.443 3.763 10 0 EHAERN COc1c(N)ccc2c1nc(C(C)C)n(-c1ccc(Cl)cc1)c2=O ZINC000039124344 202410641 /nfs/dbraw/zinc/41/06/41/202410641.db2.gz SLOXPZFBNAEIDS-UHFFFAOYSA-N 0 0 343.814 3.753 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3nc4ccccc4s3)c2N)nc1 ZINC000040761149 202463333 /nfs/dbraw/zinc/46/33/33/202463333.db2.gz CIFPCNAHGFGPMM-UHFFFAOYSA-N 0 0 349.423 3.859 10 0 EHAERN CCCCCOC(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1 ZINC000040897833 202466509 /nfs/dbraw/zinc/46/65/09/202466509.db2.gz MLNZVRBQKQLDIM-UHFFFAOYSA-N 0 0 336.457 3.503 10 0 EHAERN Cc1ccc(C)c(NC(=S)NC(=O)CCCOc2ccccc2)c1 ZINC000040899965 202468221 /nfs/dbraw/zinc/46/82/21/202468221.db2.gz WXSKYJXEYAEUBG-UHFFFAOYSA-N 0 0 342.464 3.976 10 0 EHAERN COc1ccc(Nc2nc(-c3ccc(C)cc3)cc(=O)[nH]2)cc1F ZINC000057342159 201139136 /nfs/dbraw/zinc/13/91/36/201139136.db2.gz XPAJEPDRBGCQQU-UHFFFAOYSA-N 0 0 325.343 3.637 10 0 EHAERN CC(C)[C@H](C/C=C\Cl)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000255991118 201189948 /nfs/dbraw/zinc/18/99/48/201189948.db2.gz NWTCPOLSDXHJJC-QQVOCNMXSA-N 0 0 335.831 3.991 10 0 EHAERN COc1ccc(NCc2ccc(I)o2)cc1C ZINC000049528535 202624341 /nfs/dbraw/zinc/62/43/41/202624341.db2.gz DRRGEEPHFWXQQY-UHFFFAOYSA-N 0 0 343.164 3.813 10 0 EHAERN Cc1ccc(-c2nc(-c3nc(-c4ccccc4)no3)c(NN)o2)cc1 ZINC000053993874 202664483 /nfs/dbraw/zinc/66/44/83/202664483.db2.gz JJRDWSQNRJVEQQ-UHFFFAOYSA-N 0 0 333.351 3.653 10 0 EHAERN COC[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O ZINC000004722074 201614507 /nfs/dbraw/zinc/61/45/07/201614507.db2.gz TXOICHCTMJMZFA-NSFMUAGPSA-N 0 0 334.500 3.832 10 0 in-vitro EHAERN CCCn1cc(-c2ccnc(N[C@@H](C)c3nc(C)cs3)n2)c(C)n1 ZINC000063882687 202810637 /nfs/dbraw/zinc/81/06/37/202810637.db2.gz GQHSNCBDHWNMRX-ZDUSSCGKSA-N 0 0 342.472 3.997 10 0 EHAERN O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccsc3)c12 ZINC000072441196 203226025 /nfs/dbraw/zinc/22/60/25/203226025.db2.gz QOWGLPXJQDERCB-UHFFFAOYSA-N 0 0 346.415 3.741 10 0 EHAERN O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1C1CCCC1 ZINC000072465573 203229642 /nfs/dbraw/zinc/22/96/42/203229642.db2.gz WEUJKBCOSSJSNR-UHFFFAOYSA-N 0 0 337.427 3.602 10 0 EHAERN COC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)nn2c1C ZINC000072417379 203218847 /nfs/dbraw/zinc/21/88/47/203218847.db2.gz KEXZVFFTEDHNSY-UHFFFAOYSA-N 0 0 335.285 3.510 10 0 EHAERN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2N)c(Br)c1 ZINC000020077810 212099809 /nfs/dbraw/zinc/09/98/09/212099809.db2.gz BAPIZHCLXUONJX-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN Cc1cc(Br)cc(C)c1NCc1ccccc1C(N)=O ZINC000020071164 212099336 /nfs/dbraw/zinc/09/93/36/212099336.db2.gz RNMDTFLMTPRPBI-UHFFFAOYSA-N 0 0 333.229 3.777 10 0 EHAERN Nc1cc(Br)ccc1Oc1ccc2c(c1)CCC(=O)N2 ZINC000019845706 212075323 /nfs/dbraw/zinc/07/53/23/212075323.db2.gz VZERRECHXRSHHB-UHFFFAOYSA-N 0 0 333.185 3.708 10 0 EHAERN C=CC(=O)N(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000077285150 203377335 /nfs/dbraw/zinc/37/73/35/203377335.db2.gz GXZZEICGWPHIRZ-UHFFFAOYSA-N 0 0 330.428 3.605 10 0 in-vitro EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2cc(Cl)ncn2)C1 ZINC000095085153 203711552 /nfs/dbraw/zinc/71/15/52/203711552.db2.gz IMNVGELGEBKGMK-LBPRGKRZSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nsc3ccccc32)C1 ZINC000095087816 203712308 /nfs/dbraw/zinc/71/23/08/203712308.db2.gz OCIOOBNHIBQAFF-LBPRGKRZSA-N 0 0 333.457 3.647 10 0 EHAERN C[C@H](c1ccccc1)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O ZINC000095936750 203769786 /nfs/dbraw/zinc/76/97/86/203769786.db2.gz KYRRSVXWTJYURJ-FOIQADDNSA-N 0 0 344.455 3.750 10 0 EHAERN CN(C(=O)CN1c2ccccc2N=C2CCC[C@@H]2C1=O)c1ccccc1 ZINC000101320620 204003280 /nfs/dbraw/zinc/00/32/80/204003280.db2.gz IVWBPTKTONKOKM-INIZCTEOSA-N 0 0 347.418 3.569 10 0 EHAERN CO[C@H]1CCCN(c2ccc(NC(=O)/C=C\c3ccco3)cc2)C1 ZINC000101322698 204003380 /nfs/dbraw/zinc/00/33/80/204003380.db2.gz VQRQZAOZACHJAF-LENZSSGSSA-N 0 0 326.396 3.547 10 0 EHAERN CO[C@@H]1CCCN(c2ccc(NC(=O)/C=C\c3ccco3)cc2)C1 ZINC000101322697 204003817 /nfs/dbraw/zinc/00/38/17/204003817.db2.gz VQRQZAOZACHJAF-RXQFDZFGSA-N 0 0 326.396 3.547 10 0 EHAERN Cc1c(Cl)cccc1NC(=O)c1cc(Br)cnc1N ZINC000050694603 204847859 /nfs/dbraw/zinc/84/78/59/204847859.db2.gz MHCBTCGHZKVINK-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN COc1cc(NC(=O)/C=C/c2ccc(C)cc2)cc(OC)c1OC ZINC000006213246 210600302 /nfs/dbraw/zinc/60/03/02/210600302.db2.gz LEMGAMIEVHCPDU-MDZDMXLPSA-N 0 0 327.380 3.673 10 0 EHAERN CC(C)(C)OC(=O)NC[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000022052707 257691616 /nfs/dbraw/zinc/69/16/16/257691616.db2.gz AGTIUSJAKDOMBF-INIZCTEOSA-N 0 0 335.444 3.696 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1nc3ccccc3o1)CCCC2 ZINC000328628412 258031060 /nfs/dbraw/zinc/03/10/60/258031060.db2.gz HEZNCQRFVVGTAP-QGZVFWFLSA-N 0 0 336.439 3.777 10 0 EHAERN O=C(Nc1ccccc1)c1nnc(N2CCCCC2)c2ccccc21 ZINC000034837106 132388165 /nfs/dbraw/zinc/38/81/65/132388165.db2.gz IMTPIXASDKGHSN-UHFFFAOYSA-N 0 0 332.407 3.872 10 0 EHAERN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1 ZINC000121893369 221965111 /nfs/dbraw/zinc/96/51/11/221965111.db2.gz VHXNQOJNNSKRGR-QWHCGFSZSA-N 0 0 346.814 3.813 10 0 EHAERN COC(=O)c1c(C)c2c(Br)nsc2nc1C(C)C ZINC000536955423 568420787 /nfs/dbraw/zinc/42/07/87/568420787.db2.gz SSTANXCSIFMKIE-UHFFFAOYSA-N 0 0 329.219 3.672 10 0 EHAERN CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2cccnc2)cc1 ZINC000000023207 560176746 /nfs/dbraw/zinc/17/67/46/560176746.db2.gz CUVUXNULRBGYON-UHFFFAOYSA-N 0 0 344.823 3.868 10 0 in-vitro EHAERN CCCN(Cc1cccnc1)Cc1cnc(NCc2ccccc2)nc1 ZINC000055401528 563934728 /nfs/dbraw/zinc/93/47/28/563934728.db2.gz GTRKHEOZSJCQTP-UHFFFAOYSA-N 0 0 347.466 3.896 10 0 EHAERN CCn1c2ccccc2c2cc(C[N@H+]3CCC(=O)N(CC)CC3)ccc21 ZINC000012247408 564033224 /nfs/dbraw/zinc/03/32/24/564033224.db2.gz PSEGYIKPHISNJO-UHFFFAOYSA-N 0 0 349.478 3.869 10 0 EHAERN CC(C)(C)OC(=O)NCc1c[nH]c2ccc(Br)cc12 ZINC000149849514 564128813 /nfs/dbraw/zinc/12/88/13/564128813.db2.gz JRVZFCXXHJFFNB-UHFFFAOYSA-N 0 0 325.206 3.955 10 0 EHAERN Cc1cc(C)c(C(=O)Nc2cnn(-c3ccccc3F)c2)c(Cl)n1 ZINC000182143199 1032068657 /nfs/dbraw/zinc/06/86/57/1032068657.db2.gz MEIQHAMHFBJMAF-UHFFFAOYSA-N 0 0 344.777 3.929 10 0 EHAERN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1cccc(Br)c1Cl ZINC000706446946 977322571 /nfs/dbraw/zinc/32/25/71/977322571.db2.gz HTMGCKHEDPIXBK-LBPRGKRZSA-N 0 0 346.652 3.932 10 0 EHAERN CCC1CCC(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)CC1 ZINC000112744922 1016044341 /nfs/dbraw/zinc/04/43/41/1016044341.db2.gz MXSJEXVSJLJKGX-UHFFFAOYSA-N 0 0 332.492 3.580 10 0 EHAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c(C)n1C1CC1 ZINC000080508496 1032138800 /nfs/dbraw/zinc/13/88/00/1032138800.db2.gz RCFOXZKUQJKQMY-MSOLQXFVSA-N 0 0 326.444 3.550 10 0 EHAERN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2csc(C)n2)sc1C ZINC000275339009 1016469344 /nfs/dbraw/zinc/46/93/44/1016469344.db2.gz DOYHSPQVCAVTEE-ZDUSSCGKSA-N 0 0 342.511 3.656 10 0 EHAERN O=C(N[C@@H]1CCCC12CCOCC2)NC1CCC(C(F)(F)F)CC1 ZINC000407958379 1016482506 /nfs/dbraw/zinc/48/25/06/1016482506.db2.gz RGVHJWQONKEPLX-JXQTWKCFSA-N 0 0 348.409 3.756 10 0 EHAERN C[C@@H]1CCCN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[C@@H]1C ZINC000407962543 1016514231 /nfs/dbraw/zinc/51/42/31/1016514231.db2.gz MZDKQKHGCBWRHG-VXGBXAGGSA-N 0 0 337.851 3.694 10 0 EHAERN CC1(C)CCC[C@@H](CC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000407995289 1016785200 /nfs/dbraw/zinc/78/52/00/1016785200.db2.gz ICPMGERNOIGUNR-HOCLYGCPSA-N 0 0 349.496 3.628 10 0 EHAERN C[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000080740785 1032189378 /nfs/dbraw/zinc/18/93/78/1032189378.db2.gz VFPKQNXNBYJGID-KBMXLJTQSA-N 0 0 344.484 3.757 10 0 EHAERN CN(Cc1c(Cl)n(C)nc1-c1ccccc1)Cc1ccncc1 ZINC000183744747 1032202091 /nfs/dbraw/zinc/20/20/91/1032202091.db2.gz OOKHBAOEMFIBQO-UHFFFAOYSA-N 0 0 326.831 3.768 10 0 EHAERN O=C(NC(c1cccs1)c1cccs1)[C@@H]1CCCn2ccnc21 ZINC000080670038 1032229895 /nfs/dbraw/zinc/22/98/95/1032229895.db2.gz PJHFGBHZSUDTIJ-GFCCVEGCSA-N 0 0 343.477 3.789 10 0 EHAERN CC(C)C[C@H](C)S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000118424762 1032242359 /nfs/dbraw/zinc/24/23/59/1032242359.db2.gz IKTGSRJWQYMECL-AWEZNQCLSA-N 0 0 349.500 3.507 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000184226206 1032274864 /nfs/dbraw/zinc/27/48/64/1032274864.db2.gz ZIGCWTFXTKDCDU-GOEBONIOSA-N 0 0 325.412 3.809 10 0 EHAERN COc1ccc([C@@H](NC(=O)/C(C)=C/C(C)(C)C)c2nccn2C)cc1 ZINC000185182587 1032357310 /nfs/dbraw/zinc/35/73/10/1032357310.db2.gz DJUDRRZWZAYZKA-TUQDCPSNSA-N 0 0 341.455 3.627 10 0 EHAERN Clc1cncc(N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000091483287 1032704490 /nfs/dbraw/zinc/70/44/90/1032704490.db2.gz JARDDMOSDLNARE-CQSZACIVSA-N 0 0 339.830 3.904 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1N1CCCC1=O ZINC000246399706 1018329201 /nfs/dbraw/zinc/32/92/01/1018329201.db2.gz JISYCJDIOYXPOI-BFYDXBDKSA-N 0 0 341.455 3.998 10 0 EHAERN Cc1nc2cccc(C(=O)N3CCC[C@H]3c3csc(C)n3)c2[nH]1 ZINC000328703897 1018561556 /nfs/dbraw/zinc/56/15/56/1018561556.db2.gz OLEASYPHMRJGJO-HNNXBMFYSA-N 0 0 326.425 3.614 10 0 EHAERN O=C(CCc1nc(C2CCCC2)no1)NC1C2CC3CC(C2)CC1C3 ZINC000128083065 1018961447 /nfs/dbraw/zinc/96/14/47/1018961447.db2.gz FLIYCEFLMHTENT-UHFFFAOYSA-N 0 0 343.471 3.601 10 0 EHAERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2ccc3nnc(C(F)F)n3n2)o1 ZINC000092659006 1032805987 /nfs/dbraw/zinc/80/59/87/1032805987.db2.gz XJUZGHCOOQCKBP-CMPLNLGQSA-N 0 0 347.369 3.941 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)c2ccccc21 ZINC000334043006 1021903777 /nfs/dbraw/zinc/90/37/77/1021903777.db2.gz OYRZIOMUCYXZQV-RDTXWAMCSA-N 0 0 338.455 3.517 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C)c1 ZINC000333760654 1021926970 /nfs/dbraw/zinc/92/69/70/1021926970.db2.gz PBNUYDZRHGHREG-LSTHTHJFSA-N 0 0 344.499 3.947 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCCc2occc2C1 ZINC000334069730 1021956564 /nfs/dbraw/zinc/95/65/64/1021956564.db2.gz GHXXSDMPOZGLOJ-ZBFHGGJFSA-N 0 0 346.452 3.719 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(C(N)=O)c(F)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333852343 1022302817 /nfs/dbraw/zinc/30/28/17/1022302817.db2.gz PSOYLEVUVIHLMN-GRINDBAHSA-N 0 0 331.391 3.609 10 0 EHAERN O=S(=O)(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 ZINC000122970349 1022323733 /nfs/dbraw/zinc/32/37/33/1022323733.db2.gz OULKZLGMHGVMKR-KRWDZBQOSA-N 0 0 343.448 3.802 10 0 EHAERN O=C1CC[C@H](NCc2nnc(-c3cccc(Cl)c3)o2)C2(CCC2)N1 ZINC000328708544 1022474297 /nfs/dbraw/zinc/47/42/97/1022474297.db2.gz QMOZMGVBJYHENB-ZDUSSCGKSA-N 0 0 346.818 3.521 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)CCc2cccc(F)c2)[nH]1 ZINC000328742058 1022477750 /nfs/dbraw/zinc/47/77/50/1022477750.db2.gz NTVAVQXSRMFAOT-SUMWQHHRSA-N 0 0 344.434 3.575 10 0 EHAERN CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000101696288 1022664318 /nfs/dbraw/zinc/66/43/18/1022664318.db2.gz IJFZKAUFKYWVAX-COXVUDFISA-N 0 0 348.874 3.592 10 0 EHAERN CS[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000189057010 1022939919 /nfs/dbraw/zinc/93/99/19/1022939919.db2.gz QQVBUGNBPZEQPH-XJKCOSOUSA-N 0 0 334.485 3.743 10 0 EHAERN CC(C)[C@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588450969 1022998247 /nfs/dbraw/zinc/99/82/47/1022998247.db2.gz MWMBHISBOWUPMV-IBSYWUHOSA-N 0 0 346.471 3.623 10 0 EHAERN Cc1cccnc1/C=C\C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000588451396 1023007636 /nfs/dbraw/zinc/00/76/36/1023007636.db2.gz PKQNPVAAEXMTKI-KTKRTIGZSA-N 0 0 330.815 3.594 10 0 EHAERN Cc1cccc(-c2nnc(COC(=O)/C=C\c3ncccc3C)o2)c1 ZINC000588452768 1023018647 /nfs/dbraw/zinc/01/86/47/1023018647.db2.gz YBOSXLFCQMGTJK-HJWRWDBZSA-N 0 0 335.363 3.505 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000588453316 1023050152 /nfs/dbraw/zinc/05/01/52/1023050152.db2.gz UYLWCLLWGZDQHT-FPLPWBNLSA-N 0 0 332.350 3.994 10 0 EHAERN COc1ccc(C2(NC(=O)/C=C\c3ncccc3C)CCCC2)cc1 ZINC000588455344 1023062066 /nfs/dbraw/zinc/06/20/66/1023062066.db2.gz RVKGYHYGWIIWMA-QXMHVHEDSA-N 0 0 336.435 3.998 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1ccc(F)c(Cl)c1 ZINC000333890444 1023194768 /nfs/dbraw/zinc/19/47/68/1023194768.db2.gz WYXSLRWVGCCKRH-YPMHNXCESA-N 0 0 340.826 3.629 10 0 EHAERN O=C([C@@H]1CCCc2c(O)cccc21)N1CCC[C@H](c2nccs2)C1 ZINC000190285700 1023280077 /nfs/dbraw/zinc/28/00/77/1023280077.db2.gz DMMMYFGXWNMCMW-XJKSGUPXSA-N 0 0 342.464 3.675 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000180525021 1023287400 /nfs/dbraw/zinc/28/74/00/1023287400.db2.gz LMAVYASFUGZXRI-FHSNZYRGSA-N 0 0 344.434 3.585 10 0 EHAERN CC(C)c1ccccc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000190462282 1023288240 /nfs/dbraw/zinc/28/82/40/1023288240.db2.gz DEYTWOAJKKOIRP-MRXNPFEDSA-N 0 0 331.437 3.612 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)no1 ZINC000246640622 1023788760 /nfs/dbraw/zinc/78/87/60/1023788760.db2.gz NRLKUQZKLNJUFR-XQLPTFJDSA-N 0 0 334.464 3.864 10 0 EHAERN C[C@H]1CCC[C@@H]1c1nc(-c2cccc(CN3CCCC3=O)c2)no1 ZINC000329723430 1024146419 /nfs/dbraw/zinc/14/64/19/1024146419.db2.gz NRTKGRNZFNSCMK-BBRMVZONSA-N 0 0 325.412 3.763 10 0 EHAERN Cc1ccc2ncc(-c3nc([C@H]4C[C@H](C)C[C@H](C)C4)no3)c(=O)n2c1 ZINC000329726107 1024148255 /nfs/dbraw/zinc/14/82/55/1024148255.db2.gz OKNRLPKZIQLZOA-WDNDVIMCSA-N 0 0 338.411 3.593 10 0 EHAERN CN1C[C@@H](c2noc(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1=O ZINC000329732146 1024164464 /nfs/dbraw/zinc/16/44/64/1024164464.db2.gz QBBYPCSECYHHDH-LBPRGKRZSA-N 0 0 345.830 3.529 10 0 EHAERN C[C@H]1CCCC[C@H]1OCc1noc(C(F)(F)C2CCOCC2)n1 ZINC000329760590 1024183179 /nfs/dbraw/zinc/18/31/79/1024183179.db2.gz QIUOPHZNMYSJJW-WCQYABFASA-N 0 0 330.375 3.683 10 0 EHAERN CC(C)C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000153698410 1024239168 /nfs/dbraw/zinc/23/91/68/1024239168.db2.gz ZBZIURDFHXPFPP-JKSUJKDBSA-N 0 0 347.507 3.847 10 0 EHAERN C[C@@H](C(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1)c1cccnc1 ZINC000329896636 1024239741 /nfs/dbraw/zinc/23/97/41/1024239741.db2.gz KYVNLXBPBZVTBL-AUUYWEPGSA-N 0 0 349.434 3.809 10 0 EHAERN CCO[C@H]1C[C@H](Nc2ncncc2-c2ccccc2)C12CCOCC2 ZINC000329989695 1024277523 /nfs/dbraw/zinc/27/75/23/1024277523.db2.gz VMLHBOUKTPKJBT-ROUUACIJSA-N 0 0 339.439 3.530 10 0 EHAERN Cc1cn2nc(N[C@H]3CC4(CCCC4)Oc4ccccc43)sc2n1 ZINC000330122013 1024326235 /nfs/dbraw/zinc/32/62/35/1024326235.db2.gz BTVNMZVTWIHEFC-AWEZNQCLSA-N 0 0 340.452 3.770 10 0 EHAERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cccn2C2CCCC2)C1 ZINC000194279793 1024386455 /nfs/dbraw/zinc/38/64/55/1024386455.db2.gz FDCDJLCSWSRDEO-HXUWFJFHSA-N 0 0 346.471 3.655 10 0 EHAERN CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000151777273 1024611733 /nfs/dbraw/zinc/61/17/33/1024611733.db2.gz XEQMXINKDQPLBS-BQHJZSHBSA-N 0 0 341.407 3.600 10 0 EHAERN CCO[C@@H]1C[C@H](OC(=O)/C=C(/C)c2cccc(F)c2)C12CCOCC2 ZINC000588492635 1024910918 /nfs/dbraw/zinc/91/09/18/1024910918.db2.gz FDJFJJIWIKHDTA-QKNCTXAOSA-N 0 0 348.414 3.746 10 0 EHAERN COc1ccc(/C=C\C(=O)N2Cc3ccccc3C3(CC3)C2)cc1OC ZINC000588504624 1025320449 /nfs/dbraw/zinc/32/04/49/1025320449.db2.gz QVAPFRKYSXTMDT-NTMALXAHSA-N 0 0 349.430 3.791 10 0 EHAERN CCc1nc(CCNC(=O)N[C@H]2CCc3cc(Cl)ccc32)cs1 ZINC000102450294 1025386445 /nfs/dbraw/zinc/38/64/45/1025386445.db2.gz QWERFNBAMVTBML-HNNXBMFYSA-N 0 0 349.887 3.888 10 0 EHAERN COc1ccc([C@@H](C)NCc2nc(-c3ccc(F)cc3)no2)cc1F ZINC000102699723 1025521080 /nfs/dbraw/zinc/52/10/80/1025521080.db2.gz PJVGNRRAMSMQEM-LLVKDONJSA-N 0 0 345.349 3.874 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(n1)CCCC2 ZINC000329001190 1025565805 /nfs/dbraw/zinc/56/58/05/1025565805.db2.gz HOUQRVGIJBJASQ-LRQRDZAKSA-N 0 0 342.483 3.506 10 0 EHAERN CCn1nccc1NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000329179661 1025647067 /nfs/dbraw/zinc/64/70/67/1025647067.db2.gz DBZNNTVNKSKATI-CYBMUJFWSA-N 0 0 347.488 3.894 10 0 EHAERN CC(C)(C)c1cnc(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)s1 ZINC000329208195 1025662995 /nfs/dbraw/zinc/66/29/95/1025662995.db2.gz BPFQKSQBPUAUBN-TUAOUCFPSA-N 0 0 333.457 3.540 10 0 EHAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)n1 ZINC000329435813 1025846878 /nfs/dbraw/zinc/84/68/78/1025846878.db2.gz LSYVSYUMXFIWTN-CYBMUJFWSA-N 0 0 342.530 3.547 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)NCCc3cccs3)c21 ZINC000103176646 1026055601 /nfs/dbraw/zinc/05/56/01/1026055601.db2.gz KWSKQJXCPOZPBM-UHFFFAOYSA-N 0 0 327.453 3.622 10 0 EHAERN C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc4c(c3)CCC=C4)n1)OC2 ZINC000329615189 1026076098 /nfs/dbraw/zinc/07/60/98/1026076098.db2.gz SFBAAUMPDVXWSJ-YLJYHZDGSA-N 0 0 337.423 3.622 10 0 EHAERN CC(C)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000103735196 1026121569 /nfs/dbraw/zinc/12/15/69/1026121569.db2.gz JCQQPHMRSRPLLR-UHFFFAOYSA-N 0 0 341.802 3.691 10 0 EHAERN CCCCCC[C@H](C)NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000152453956 1026147985 /nfs/dbraw/zinc/14/79/85/1026147985.db2.gz YLVWWBZKBKZDOJ-GJZGRUSLSA-N 0 0 335.496 3.895 10 0 EHAERN Cc1ccc(/C=C/CC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000122012642 1026151129 /nfs/dbraw/zinc/15/11/29/1026151129.db2.gz CVTMTDOZBDUCPU-ONEGZZNKSA-N 0 0 337.467 3.613 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000047575555 1026199630 /nfs/dbraw/zinc/19/96/30/1026199630.db2.gz KAOCHGWVPHXHEO-SOZFHFLDSA-N 0 0 326.440 3.778 10 0 EHAERN CC[C@H](CC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)C(C)C ZINC000104381447 1026259242 /nfs/dbraw/zinc/25/92/42/1026259242.db2.gz QWGQSCZCHFQEBD-DLBZAZTESA-N 0 0 332.488 3.710 10 0 EHAERN COc1ccsc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122326672 1026408935 /nfs/dbraw/zinc/40/89/35/1026408935.db2.gz XRYCJCMKWYPYSA-OCCSQVGLSA-N 0 0 331.437 3.784 10 0 EHAERN Cc1nc2c(cccc2OS(=O)(=O)/C=C\c2ccc(F)cc2)o1 ZINC000588536682 1026809009 /nfs/dbraw/zinc/80/90/09/1026809009.db2.gz YGWIFNZHUYLEQX-KTKRTIGZSA-N 0 0 333.340 3.655 10 0 EHAERN O=C(C/C=C\c1ccc(F)cc1)Oc1ccc2c(c1)NC(=O)CC2 ZINC000588538153 1026934606 /nfs/dbraw/zinc/93/46/06/1026934606.db2.gz PZGHVIBYNWHKHQ-UPHRSURJSA-N 0 0 325.339 3.719 10 0 EHAERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248700374 1027042715 /nfs/dbraw/zinc/04/27/15/1027042715.db2.gz ADFBHGWMMBADHD-NCGUTPBLSA-N 0 0 346.446 3.706 10 0 EHAERN CCc1nc(Cl)c(C)c(N2CCC(c3noc(C4CC4)n3)CC2)n1 ZINC000302158433 1027074001 /nfs/dbraw/zinc/07/40/01/1027074001.db2.gz GDALNCCOUHVDIP-UHFFFAOYSA-N 0 0 347.850 3.645 10 0 EHAERN O=C(Nc1cc(F)cc(Cl)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000153165091 1027244390 /nfs/dbraw/zinc/24/43/90/1027244390.db2.gz MXEKTBCHUYTCBN-OAHLLOKOSA-N 0 0 335.766 3.559 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3ccc4ccccc4n3)CCO2)o1 ZINC000127058197 1027267792 /nfs/dbraw/zinc/26/77/92/1027267792.db2.gz AWYCATUEJBGHJG-WAEYIKQSSA-N 0 0 348.402 3.750 10 0 EHAERN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC=C(c2ccccc2F)CC1 ZINC000127633045 1027332031 /nfs/dbraw/zinc/33/20/31/1027332031.db2.gz RKMWMOWNSLMTFE-CQSZACIVSA-N 0 0 349.409 3.913 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2cccc(C=O)c2)o1 ZINC000129145108 1027525811 /nfs/dbraw/zinc/52/58/11/1027525811.db2.gz SBRYRSSCPLKHIA-CRAIPNDOSA-N 0 0 341.407 3.922 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccccc3OC(C)C)CCO2)o1 ZINC000153467837 1027970631 /nfs/dbraw/zinc/97/06/31/1027970631.db2.gz BSULKFKGHXUQIM-GOSISDBHSA-N 0 0 344.411 3.981 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3cccc(C)c3Cl)CC2)nc1 ZINC000133332001 1028020118 /nfs/dbraw/zinc/02/01/18/1028020118.db2.gz NZDNKOQNUOERCQ-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN Cc1cc(F)c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000459370235 1028026662 /nfs/dbraw/zinc/02/66/62/1028026662.db2.gz RCZPULRGRUMWSV-UHFFFAOYSA-N 0 0 326.843 3.524 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133393435 1028027543 /nfs/dbraw/zinc/02/75/43/1028027543.db2.gz WHQXRULESDSQLF-ACJLOTCBSA-N 0 0 331.387 3.506 10 0 EHAERN COc1ccc([C@H](C)CC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000133823969 1028070878 /nfs/dbraw/zinc/07/08/78/1028070878.db2.gz MZAYGIRVVVNNNI-AUUYWEPGSA-N 0 0 343.423 3.690 10 0 EHAERN Cc1ccnc(-n2nccc2NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000249029088 1028094727 /nfs/dbraw/zinc/09/47/27/1028094727.db2.gz LKKWXRSKAXVTHA-HRCADAONSA-N 0 0 339.443 3.618 10 0 EHAERN CC(C)c1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000136959752 1028283030 /nfs/dbraw/zinc/28/30/30/1028283030.db2.gz HOABRNCIXOUPEN-SFHVURJKSA-N 0 0 325.412 3.890 10 0 EHAERN Cn1cnc(-c2ccc(OC(=O)C/C=C\c3ccc(F)cc3)cc2)n1 ZINC000588557989 1028296352 /nfs/dbraw/zinc/29/63/52/1028296352.db2.gz CUPWFNDBKFSGOG-IHWYPQMZSA-N 0 0 337.354 3.630 10 0 EHAERN C[C@]1(C(=O)N2CCC(Oc3ccccc3)CC2)CC1(Cl)Cl ZINC000055976500 1028304846 /nfs/dbraw/zinc/30/48/46/1028304846.db2.gz RSYMARJYQDTMTB-OAHLLOKOSA-N 0 0 328.239 3.640 10 0 EHAERN O=C(Nc1cccc(C(F)F)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000137311457 1028309804 /nfs/dbraw/zinc/30/98/04/1028309804.db2.gz LVUZTXFYTXESHC-HNNXBMFYSA-N 0 0 333.338 3.704 10 0 EHAERN CO[C@]1(C)C[C@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C1(C)C ZINC000408251387 1028325803 /nfs/dbraw/zinc/32/58/03/1028325803.db2.gz AJYOGPLOJWAOCJ-RJVJFLMVSA-N 0 0 336.398 3.610 10 0 EHAERN C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)c1ccncc1 ZINC000056552270 1028331566 /nfs/dbraw/zinc/33/15/66/1028331566.db2.gz OTKMMUXULVHXCK-MRXNPFEDSA-N 0 0 339.439 3.643 10 0 EHAERN CCSc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cn1 ZINC000067046259 1028352049 /nfs/dbraw/zinc/35/20/49/1028352049.db2.gz UWICFHSDTHIRPB-CYBMUJFWSA-N 0 0 333.482 3.670 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CCCc2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000057890752 1028376070 /nfs/dbraw/zinc/37/60/70/1028376070.db2.gz FIBRFHAQEBYYSR-FQEVSTJZSA-N 0 0 348.450 3.650 10 0 EHAERN CC[C@@H](C(=O)N1CCC(Cn2nc(C)cc2C)CC1)c1ccccc1 ZINC000062130925 1028441844 /nfs/dbraw/zinc/44/18/44/1028441844.db2.gz HGRGNKCEOSURQB-HXUWFJFHSA-N 0 0 339.483 3.932 10 0 EHAERN CC1(C)CCCC[C@H]1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000194162391 1028497148 /nfs/dbraw/zinc/49/71/48/1028497148.db2.gz WJWKRGFFYUSOPA-SFHVURJKSA-N 0 0 348.531 3.844 10 0 EHAERN COc1cc(C2(C(=O)N[C@H]3CCOc4ccccc43)CC2)ccc1C ZINC000194623153 1028526549 /nfs/dbraw/zinc/52/65/49/1028526549.db2.gz GICAUGMIKJGBLC-KRWDZBQOSA-N 0 0 337.419 3.675 10 0 EHAERN CN1Cc2cc(N[C@H](c3cccs3)c3ncc[nH]3)ccc2NC1=O ZINC000195121288 1028582789 /nfs/dbraw/zinc/58/27/89/1028582789.db2.gz GICKWKJAIKLXKL-OAHLLOKOSA-N 0 0 339.424 3.650 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC[C@H]3CCCCO3)C2)cc1 ZINC000246613516 1028667948 /nfs/dbraw/zinc/66/79/48/1028667948.db2.gz CKLYUBNFRUKHQO-SZVBFZGTSA-N 0 0 331.456 3.749 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@H]2CSCCS2)[C@@H](c2ccco2)C1 ZINC000246650477 1028672047 /nfs/dbraw/zinc/67/20/47/1028672047.db2.gz KCKANYWOMWPPCZ-HZSPNIEDSA-N 0 0 325.499 3.818 10 0 EHAERN Cc1csc([C@H](NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C2CC2)n1 ZINC000246766398 1028689581 /nfs/dbraw/zinc/68/95/81/1028689581.db2.gz LPFPNBJOPYNESL-IUIKQTSFSA-N 0 0 328.437 3.584 10 0 EHAERN O=C(Nc1ccc(OCC2CC2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246904515 1028713024 /nfs/dbraw/zinc/71/30/24/1028713024.db2.gz FAURLCVMTHIKFL-KSZLIROESA-N 0 0 330.428 3.555 10 0 EHAERN CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000248437333 1028754447 /nfs/dbraw/zinc/75/44/47/1028754447.db2.gz SMZJXJABBGYMSP-FDQGKXFDSA-N 0 0 329.444 3.996 10 0 EHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247565726 1028802860 /nfs/dbraw/zinc/80/28/60/1028802860.db2.gz RZYNSLIWFFECKX-SQWLQELKSA-N 0 0 341.411 3.784 10 0 EHAERN Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)s2)o1 ZINC000247644365 1028807881 /nfs/dbraw/zinc/80/78/81/1028807881.db2.gz VYQPPDQRAZFBJU-BFHYXJOUSA-N 0 0 346.452 3.707 10 0 EHAERN CC(C)Cn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cn1 ZINC000248386788 1028878326 /nfs/dbraw/zinc/87/83/26/1028878326.db2.gz NXIVYNYLYVJFPD-DLBZAZTESA-N 0 0 333.501 3.689 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000248544937 1028887725 /nfs/dbraw/zinc/88/77/25/1028887725.db2.gz DDQLBJKJOOICJH-FRFSOERESA-N 0 0 339.443 3.667 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)CCO1 ZINC000248424402 1028898133 /nfs/dbraw/zinc/89/81/33/1028898133.db2.gz ZXXNWOAIRCVDIH-XDNAFOTISA-N 0 0 349.471 3.680 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCC[C@H]1CCCCO1 ZINC000248711552 1028940397 /nfs/dbraw/zinc/94/03/97/1028940397.db2.gz CIWNPJNQWDYVNG-BHIYHBOVSA-N 0 0 330.472 3.923 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cc2O1 ZINC000249046282 1028981080 /nfs/dbraw/zinc/98/10/80/1028981080.db2.gz FAPFQPGTQDRJPQ-QCUYGVNKSA-N 0 0 346.427 3.663 10 0 EHAERN CN1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000245664872 1028987416 /nfs/dbraw/zinc/98/74/16/1028987416.db2.gz IPJNMJFXSMXXDC-IAGOWNOFSA-N 0 0 349.356 3.671 10 0 EHAERN CCO[C@@H]1C[C@H](N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C12CCC2 ZINC000249194615 1028997341 /nfs/dbraw/zinc/99/73/41/1028997341.db2.gz PZFCSCANZRWZBF-GVDBMIGSSA-N 0 0 329.419 3.576 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000249475502 1029002572 /nfs/dbraw/zinc/00/25/72/1029002572.db2.gz VLDHMEMISWMOEC-PBFPGSCMSA-N 0 0 342.443 3.849 10 0 EHAERN C[C@@]1(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CC1(Cl)Cl ZINC000076513497 1029009169 /nfs/dbraw/zinc/00/91/69/1029009169.db2.gz SHDYDOHSOHGDIN-DOMZBBRYSA-N 0 0 330.230 3.801 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1C)C2 ZINC000076960263 1029059180 /nfs/dbraw/zinc/05/91/80/1029059180.db2.gz XFSVKQXQYPJZQJ-UXHICEINSA-N 0 0 348.446 3.642 10 0 EHAERN CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000245705982 1029075096 /nfs/dbraw/zinc/07/50/96/1029075096.db2.gz FAEGLXHIBLBJIR-VLIAUNLRSA-N 0 0 342.414 3.746 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(SC(F)(F)F)cc1 ZINC000251847986 1029163201 /nfs/dbraw/zinc/16/32/01/1029163201.db2.gz NGMQRMRMDYKSSL-YNEHKIRRSA-N 0 0 331.359 3.596 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@H]2CCCC[C@H]2O)cs1 ZINC000333613878 1029191334 /nfs/dbraw/zinc/19/13/34/1029191334.db2.gz HFUGXTINPSSWCC-DZGCQCFKSA-N 0 0 331.441 3.544 10 0 EHAERN CN(C(=O)/C=C/c1cc2ccccc2o1)[C@H]1CCCc2c1cnn2C ZINC000154517315 1029208306 /nfs/dbraw/zinc/20/83/06/1029208306.db2.gz GJCSUVVXJIZGQQ-DVQDXYAYSA-N 0 0 335.407 3.716 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccnc3Cl)C2)cc1 ZINC000078187612 1029240308 /nfs/dbraw/zinc/24/03/08/1029240308.db2.gz QTHHQHGJZCFFHA-TZMCWYRMSA-N 0 0 330.815 3.762 10 0 EHAERN COc1cccc2c1CC[C@@H]2NC(=O)N1CC[C@H](OCCC(C)C)C1 ZINC000154723623 1029280648 /nfs/dbraw/zinc/28/06/48/1029280648.db2.gz IUAHOUYYRGEYPK-YJBOKZPZSA-N 0 0 346.471 3.529 10 0 EHAERN CCc1noc(C)c1NC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000155431114 1029535562 /nfs/dbraw/zinc/53/55/62/1029535562.db2.gz VBXIBRQXQQCFCD-UHFFFAOYSA-N 0 0 329.400 3.621 10 0 EHAERN CCCCC[C@H](C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)C(C)C ZINC000246014472 1029572586 /nfs/dbraw/zinc/57/25/86/1029572586.db2.gz SJLMZXWBNGPROT-OKZBNKHCSA-N 0 0 349.519 3.545 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CCCCC3)CC2)n1 ZINC000156328214 1029815652 /nfs/dbraw/zinc/81/56/52/1029815652.db2.gz NPYGAWNLUMYYHK-RBUKOAKNSA-N 0 0 341.499 3.691 10 0 EHAERN O=C(c1cccnc1Cl)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089623658 1029956479 /nfs/dbraw/zinc/95/64/79/1029956479.db2.gz VGRZCUDJGLJLAT-CYBMUJFWSA-N 0 0 337.206 3.682 10 0 EHAERN Cc1csc(C2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)n1 ZINC000156741264 1029987755 /nfs/dbraw/zinc/98/77/55/1029987755.db2.gz CCSIPHIHDMOIRJ-HNNXBMFYSA-N 0 0 343.496 3.508 10 0 EHAERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cc2c([nH]c1=O)CCCC2 ZINC000329354745 1030499688 /nfs/dbraw/zinc/49/96/88/1030499688.db2.gz VNNYZGBEAXSVSL-HOTGVXAUSA-N 0 0 328.456 3.612 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cnc(C)n3-c3ccccc3)CCO2)o1 ZINC000093864868 1030688208 /nfs/dbraw/zinc/68/82/08/1030688208.db2.gz DZHBKXMTMVSDKS-HXUWFJFHSA-N 0 0 337.423 3.656 10 0 EHAERN COc1cccc([C@@H](C)C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000171220761 1030748533 /nfs/dbraw/zinc/74/85/33/1030748533.db2.gz QHJXEWQHQUSPSQ-CQSZACIVSA-N 0 0 344.480 3.970 10 0 EHAERN O=C(c1ccnc2ccccc21)N1CCC(Cc2ccccn2)CC1 ZINC000171614402 1030767731 /nfs/dbraw/zinc/76/77/31/1030767731.db2.gz GBUXBDJQHWVFBS-UHFFFAOYSA-N 0 0 331.419 3.725 10 0 EHAERN O=C1Nc2ccccc2[C@H]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000171797912 1030818093 /nfs/dbraw/zinc/81/80/93/1030818093.db2.gz GHXJTZGTNXWZQN-CYBMUJFWSA-N 0 0 339.782 3.592 10 0 EHAERN COCCOc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000172092837 1030830848 /nfs/dbraw/zinc/83/08/48/1030830848.db2.gz BTJPUSAFHVEBAK-UHFFFAOYSA-N 0 0 343.448 3.703 10 0 EHAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000248540575 1030835187 /nfs/dbraw/zinc/83/51/87/1030835187.db2.gz BHSLIQJGOLPUQG-JLSDUUJJSA-N 0 0 337.423 3.698 10 0 EHAERN O=C(NCc1cc(F)ccc1F)N1CCC(Cc2ccccn2)CC1 ZINC000171907395 1030848660 /nfs/dbraw/zinc/84/86/60/1030848660.db2.gz NPAPABYXXUQYOM-UHFFFAOYSA-N 0 0 345.393 3.524 10 0 EHAERN CCOc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1C ZINC000172018885 1030864736 /nfs/dbraw/zinc/86/47/36/1030864736.db2.gz MMUVVBFVJDNEOJ-HNNXBMFYSA-N 0 0 330.453 3.870 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1coc(-c2ccccc2)n1 ZINC000172346277 1030867842 /nfs/dbraw/zinc/86/78/42/1030867842.db2.gz COERSCLFWODABR-UHFFFAOYSA-N 0 0 332.319 3.644 10 0 EHAERN C[C@@H](O)c1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000172284149 1030877874 /nfs/dbraw/zinc/87/78/74/1030877874.db2.gz ZIKKNNFXRSAUMG-CQSZACIVSA-N 0 0 342.464 3.800 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C[C@@H](C)c3ccccc3)CC2)nc1 ZINC000157871591 1030925702 /nfs/dbraw/zinc/92/57/02/1030925702.db2.gz HUESVSLJFWWJLD-QGZVFWFLSA-N 0 0 337.467 3.669 10 0 EHAERN CC[C@@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)c1cccs1 ZINC000157907341 1030947190 /nfs/dbraw/zinc/94/71/90/1030947190.db2.gz IDYYCPGAFJNRIM-ZIAGYGMSSA-N 0 0 332.473 3.652 10 0 EHAERN CC[C@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)c1cccs1 ZINC000157907509 1030947407 /nfs/dbraw/zinc/94/74/07/1030947407.db2.gz IDYYCPGAFJNRIM-KBPBESRZSA-N 0 0 332.473 3.652 10 0 EHAERN CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(N2CCNC2=O)c1C ZINC000173486376 1031095526 /nfs/dbraw/zinc/09/55/26/1031095526.db2.gz MXOUWWBVSSBCQF-DOTOQJQBSA-N 0 0 343.471 3.613 10 0 EHAERN Cc1sc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c(C)c1C ZINC000173650242 1031123700 /nfs/dbraw/zinc/12/37/00/1031123700.db2.gz OZQXAEILAXZJIJ-CQSZACIVSA-N 0 0 349.525 3.948 10 0 EHAERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CCC(O)CC2)o1 ZINC000174044557 1031157784 /nfs/dbraw/zinc/15/77/84/1031157784.db2.gz HFFQJEJVRWUSPB-PBMMVSLJSA-N 0 0 334.460 3.628 10 0 EHAERN COCc1csc(NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000174376196 1031207031 /nfs/dbraw/zinc/20/70/31/1031207031.db2.gz DHCFHBLAGKXOLI-UHFFFAOYSA-N 0 0 335.454 3.672 10 0 EHAERN O=C(Nc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174396369 1031211906 /nfs/dbraw/zinc/21/19/06/1031211906.db2.gz BGKXNUGXRKABIR-CABCVRRESA-N 0 0 336.798 3.981 10 0 EHAERN Cc1cc(CCCC(=O)N2CCC[C@H]2Cn2ccnc2)c(C)s1 ZINC000175465803 1031339010 /nfs/dbraw/zinc/33/90/10/1031339010.db2.gz FUBJDRHLVOWXNC-KRWDZBQOSA-N 0 0 331.485 3.575 10 0 EHAERN COc1ccc([C@H](C)CC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000176021387 1031406739 /nfs/dbraw/zinc/40/67/39/1031406739.db2.gz LLMSDXGEXDWXGW-CYBMUJFWSA-N 0 0 337.379 3.878 10 0 EHAERN CCN(CC)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000176716053 1031451454 /nfs/dbraw/zinc/45/14/54/1031451454.db2.gz LJTJELRQMHKWRS-INIZCTEOSA-N 0 0 326.444 3.718 10 0 EHAERN CCOc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cn1 ZINC000176623910 1031467365 /nfs/dbraw/zinc/46/73/65/1031467365.db2.gz PHDWVYHHLDHOGG-UHFFFAOYSA-N 0 0 336.395 3.552 10 0 EHAERN CC1(C)CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000176803190 1031487391 /nfs/dbraw/zinc/48/73/91/1031487391.db2.gz WBYYGXFAFNSWPP-INIZCTEOSA-N 0 0 348.512 3.685 10 0 EHAERN C[C@@H]1CC(c2noc(CN3CCc4ccccc4C3=O)n2)C[C@@H](C)C1 ZINC000329633451 1031508324 /nfs/dbraw/zinc/50/83/24/1031508324.db2.gz XEHFHXCZUCRMCG-KBPBESRZSA-N 0 0 339.439 3.808 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN([C@@H](C)c3nc(C(C)C)no3)C2)c1 ZINC000177414738 1031539535 /nfs/dbraw/zinc/53/95/35/1031539535.db2.gz WBWVBGBGVGNJQY-KBPBESRZSA-N 0 0 345.443 3.761 10 0 EHAERN O=C(N1CCC[C@H](c2nccs2)C1)C1(Cc2ccccc2)CC1 ZINC000177482685 1031544174 /nfs/dbraw/zinc/54/41/74/1031544174.db2.gz PCCJDTSRZUXZMN-INIZCTEOSA-N 0 0 326.465 3.872 10 0 EHAERN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC(C)(O)CC1 ZINC000177843775 1031627041 /nfs/dbraw/zinc/62/70/41/1031627041.db2.gz FAYAVNPXYPHUPF-UHFFFAOYSA-N 0 0 342.443 3.510 10 0 EHAERN O=C(Nc1cccc(-n2cccc2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178199196 1031641043 /nfs/dbraw/zinc/64/10/43/1031641043.db2.gz IOZAEJIJXSEKRB-LJQANCHMSA-N 0 0 348.406 3.558 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(CCC(F)(F)F)cc1 ZINC000179041118 1031727838 /nfs/dbraw/zinc/72/78/38/1031727838.db2.gz OGGTWJUVJWYLDT-DLBZAZTESA-N 0 0 349.352 3.570 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2ccc(Cl)nc2)c2ccccc2)[nH]1 ZINC000179119490 1031752989 /nfs/dbraw/zinc/75/29/89/1031752989.db2.gz LTDRONJLEJQRKL-BDJLRTHQSA-N 0 0 327.819 3.602 10 0 EHAERN Cc1c(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cccc1N(C)C ZINC000180116988 1031802620 /nfs/dbraw/zinc/80/26/20/1031802620.db2.gz BPEHFGGKLLMVRQ-FUHWJXTLSA-N 0 0 341.459 3.563 10 0 EHAERN CCn1c(C)cc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1C ZINC000181199432 1031953226 /nfs/dbraw/zinc/95/32/26/1031953226.db2.gz ZZOLFXCLUZFFJS-UHFFFAOYSA-N 0 0 341.455 3.512 10 0 EHAERN CC(C)(CCC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000181354075 1031976295 /nfs/dbraw/zinc/97/62/95/1031976295.db2.gz AQJNOBHTTRCAPC-MRXNPFEDSA-N 0 0 326.444 3.616 10 0 EHAERN C[C@H](SCc1ccccc1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525182 1033739567 /nfs/dbraw/zinc/73/95/67/1033739567.db2.gz ZTXLRCDEYFOHCP-ZDUSSCGKSA-N 0 0 339.420 3.997 10 0 EHAERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000086340126 1034070569 /nfs/dbraw/zinc/07/05/69/1034070569.db2.gz GICYGZRTLRLGKF-CABCVRRESA-N 0 0 349.438 3.697 10 0 EHAERN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3C2)cn1 ZINC000089230001 1034272778 /nfs/dbraw/zinc/27/27/78/1034272778.db2.gz FSDLYUDXLYMKCP-UHFFFAOYSA-N 0 0 336.395 3.552 10 0 EHAERN Cc1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)c(C)n1C1CC1 ZINC000121082956 1034373705 /nfs/dbraw/zinc/37/37/05/1034373705.db2.gz AZUNJPDKXBAWFH-KRWDZBQOSA-N 0 0 330.453 3.715 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]c4ncccc34)C2)cc1 ZINC000121130686 1034468186 /nfs/dbraw/zinc/46/81/86/1034468186.db2.gz HAMDHZKSMQAYDT-RHSMWYFYSA-N 0 0 349.434 3.519 10 0 EHAERN Cc1c(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)oc2c1C(=O)CCC2 ZINC000298720745 1034483606 /nfs/dbraw/zinc/48/36/06/1034483606.db2.gz KXBQJVNAVMMPCM-GHMZBOCLSA-N 0 0 343.345 3.958 10 0 EHAERN C[C@]1(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CC1(Cl)Cl ZINC000186198561 1035599572 /nfs/dbraw/zinc/59/95/72/1035599572.db2.gz XBVJZQDYBBBQNB-GXTWGEPZSA-N 0 0 348.657 3.824 10 0 EHAERN C[C@]1(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CC1(Cl)Cl ZINC000186198594 1035600567 /nfs/dbraw/zinc/60/05/67/1035600567.db2.gz XBVJZQDYBBBQNB-TZMCWYRMSA-N 0 0 348.657 3.824 10 0 EHAERN CN1Cc2cc(NC(=O)N[C@H]3CCCCC3(C)C)ccc2NC1=O ZINC000186597428 1035665795 /nfs/dbraw/zinc/66/57/95/1035665795.db2.gz RYNSFTZKUHWBML-HNNXBMFYSA-N 0 0 330.432 3.754 10 0 EHAERN CN1Cc2cc(NC(=O)N3CCC[C@H]3C3CCCC3)ccc2NC1=O ZINC000186632023 1035676689 /nfs/dbraw/zinc/67/66/89/1035676689.db2.gz OQLXIECXEBNTHV-KRWDZBQOSA-N 0 0 342.443 3.850 10 0 EHAERN C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186666945 1035682032 /nfs/dbraw/zinc/68/20/32/1035682032.db2.gz ROZBJZMRDFMLRM-OLZOCXBDSA-N 0 0 330.432 3.612 10 0 EHAERN COc1cc(C)c(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1F ZINC000186834242 1035713196 /nfs/dbraw/zinc/71/31/96/1035713196.db2.gz QLQQKDWYNZQVRX-GOEBONIOSA-N 0 0 346.406 3.645 10 0 EHAERN COc1cnccc1[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000187110815 1035765806 /nfs/dbraw/zinc/76/58/06/1035765806.db2.gz BPXQDBQXSPEFPD-KGLIPLIRSA-N 0 0 338.411 3.860 10 0 EHAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccsc1Cl ZINC000187909661 1035866977 /nfs/dbraw/zinc/86/69/77/1035866977.db2.gz GQEQKDVLJSLEIE-OAHLLOKOSA-N 0 0 348.855 3.876 10 0 EHAERN Cc1coc2ccc(NC(=O)N3CC[C@H](Oc4cccnc4)C3)cc12 ZINC000187943563 1035870035 /nfs/dbraw/zinc/87/00/35/1035870035.db2.gz DGMAJJBEJFHXPG-INIZCTEOSA-N 0 0 337.379 3.821 10 0 EHAERN Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188482580 1035943076 /nfs/dbraw/zinc/94/30/76/1035943076.db2.gz CJDPQRZJIBKSQC-QGZVFWFLSA-N 0 0 338.407 3.840 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000189646252 1036106068 /nfs/dbraw/zinc/10/60/68/1036106068.db2.gz ARRZCCTWPBBCMT-CQSZACIVSA-N 0 0 332.835 3.621 10 0 EHAERN O=C(C1CCC(F)(F)CC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189789879 1036128893 /nfs/dbraw/zinc/12/88/93/1036128893.db2.gz HRFYFGIRUKHEJJ-UHFFFAOYSA-N 0 0 335.394 3.907 10 0 EHAERN O=C(Cc1cnc2ccccc2c1)N1CCC(Cc2ccccn2)CC1 ZINC000189749346 1036137753 /nfs/dbraw/zinc/13/77/53/1036137753.db2.gz WIEGZWHEPCRXCB-UHFFFAOYSA-N 0 0 345.446 3.654 10 0 EHAERN O=C(Nc1ccccc1SC(F)F)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000189892416 1036140998 /nfs/dbraw/zinc/14/09/98/1036140998.db2.gz RUIMLRGKGGTYPN-JLLWLGSASA-N 0 0 328.384 3.690 10 0 EHAERN Cc1nc([C@@H]2CCC[N@@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)cs1 ZINC000189814612 1036149118 /nfs/dbraw/zinc/14/91/18/1036149118.db2.gz MLPUMFICWPTMAR-KRWDZBQOSA-N 0 0 349.544 3.873 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1cnc2ccccc2c1 ZINC000189954957 1036167195 /nfs/dbraw/zinc/16/71/95/1036167195.db2.gz JCJHDYRHQSJGRN-IBGZPJMESA-N 0 0 332.403 3.726 10 0 EHAERN Cc1ccccc1SCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190376226 1036231449 /nfs/dbraw/zinc/23/14/49/1036231449.db2.gz OFJPPHLUTGAHFZ-UHFFFAOYSA-N 0 0 347.509 3.647 10 0 EHAERN COc1cc(C)c(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cc1OC ZINC000190384793 1036232131 /nfs/dbraw/zinc/23/21/31/1036232131.db2.gz DNEDAABNNFTEQI-LRDDRELGSA-N 0 0 346.427 3.981 10 0 EHAERN O=C(c1ccc(Cl)s1)N1CCC(Nc2nccs2)CC1 ZINC000190428648 1036238421 /nfs/dbraw/zinc/23/84/21/1036238421.db2.gz NQZKYIUHAKIADE-UHFFFAOYSA-N 0 0 327.862 3.575 10 0 EHAERN O=C(N1CCC(Nc2nccs2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000190416779 1036238488 /nfs/dbraw/zinc/23/84/88/1036238488.db2.gz KNWRBFMINFKVKQ-UHFFFAOYSA-N 0 0 345.512 3.762 10 0 EHAERN O=C(CCc1ccccc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190439288 1036239853 /nfs/dbraw/zinc/23/98/53/1036239853.db2.gz HEMPDNDFBAMIBK-UHFFFAOYSA-N 0 0 349.887 3.832 10 0 EHAERN CC(C)(C)n1nccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000190500947 1036255455 /nfs/dbraw/zinc/25/54/55/1036255455.db2.gz KYHXBAGDKXPZJO-GFCCVEGCSA-N 0 0 333.461 3.506 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000191177376 1036323586 /nfs/dbraw/zinc/32/35/86/1036323586.db2.gz LBTJYWXZEODPIE-WBVHZDCISA-N 0 0 344.455 3.610 10 0 EHAERN CC(C)c1cc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)nn1C ZINC000191206371 1036347580 /nfs/dbraw/zinc/34/75/80/1036347580.db2.gz PSFCXSVFSGVEEM-ZDUSSCGKSA-N 0 0 347.409 3.842 10 0 EHAERN Fc1ccc(F)c([C@H]2CCCN(Cc3nnc(-c4ccco4)o3)C2)c1 ZINC000191677295 1036405922 /nfs/dbraw/zinc/40/59/22/1036405922.db2.gz DDGGMRFFQCGSOW-LBPRGKRZSA-N 0 0 345.349 3.987 10 0 EHAERN Brc1ccc(CNCc2ncc(-c3ccccc3)cn2)o1 ZINC000191601336 1036420635 /nfs/dbraw/zinc/42/06/35/1036420635.db2.gz PUFJVFXKGRLNFJ-UHFFFAOYSA-N 0 0 344.212 3.789 10 0 EHAERN Cc1nnc(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)s1 ZINC000192171146 1036485216 /nfs/dbraw/zinc/48/52/16/1036485216.db2.gz APZMLIBEGWNEFU-UHFFFAOYSA-N 0 0 342.428 3.800 10 0 EHAERN c1ccc(-c2noc(CN3CC4(CCOCC4)c4ccccc43)n2)cc1 ZINC000192287260 1036493556 /nfs/dbraw/zinc/49/35/56/1036493556.db2.gz YLQLJKUEKVMGFY-UHFFFAOYSA-N 0 0 347.418 3.805 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)n1 ZINC000192492506 1036513440 /nfs/dbraw/zinc/51/34/40/1036513440.db2.gz PXDBOUKDBHNWKR-MRXNPFEDSA-N 0 0 341.480 3.673 10 0 EHAERN COc1cc(SC)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000192693710 1036540653 /nfs/dbraw/zinc/54/06/53/1036540653.db2.gz OOWUVHNYJQGQLX-PIGZYNQJSA-N 0 0 329.421 3.920 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(O)ccc1C(F)(F)F ZINC000193064730 1036575046 /nfs/dbraw/zinc/57/50/46/1036575046.db2.gz AWAQLYGKARCPQH-UHFFFAOYSA-N 0 0 349.268 3.713 10 0 EHAERN CCSc1ccc([C@@H](C)NC(=O)NCc2cccc(OC)n2)cc1 ZINC000103613096 1036955458 /nfs/dbraw/zinc/95/54/58/1036955458.db2.gz GYWDOSYIRRVWJZ-CYBMUJFWSA-N 0 0 345.468 3.763 10 0 EHAERN O=C([C@@H]1CCCc2c(O)cccc21)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000248892525 1037056012 /nfs/dbraw/zinc/05/60/12/1037056012.db2.gz KACUMWASYGVVNV-KZNAEPCWSA-N 0 0 341.451 3.562 10 0 EHAERN C[C@@H]1C[C@H](C)CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000157947756 1037238335 /nfs/dbraw/zinc/23/83/35/1037238335.db2.gz XTXDGLBBXXVRDZ-HZPDHXFCSA-N 0 0 343.471 3.823 10 0 EHAERN COc1ccccc1C/C(C)=C/C(=O)Nc1cccc(-c2ncon2)c1 ZINC000106764383 1037619176 /nfs/dbraw/zinc/61/91/76/1037619176.db2.gz OTTQXYCPFSBJDA-SDNWHVSQSA-N 0 0 349.390 3.873 10 0 EHAERN C[C@H](CC1CC1)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000112600872 1037766397 /nfs/dbraw/zinc/76/63/97/1037766397.db2.gz KDGXPSIQFLQVDM-CYBMUJFWSA-N 0 0 343.496 3.818 10 0 EHAERN CS[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218980 1037778536 /nfs/dbraw/zinc/77/85/36/1037778536.db2.gz LAMUIZWDAOPITO-DZGCQCFKSA-N 0 0 329.469 3.534 10 0 EHAERN O=C(CC(F)(F)F)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218398 1037779803 /nfs/dbraw/zinc/77/98/03/1037779803.db2.gz TUDPCABWEUPFGK-ZDUSSCGKSA-N 0 0 337.345 3.735 10 0 EHAERN Cc1ccc([C@H]2COCCN2Cc2cc(Cl)cc3c2OCOC3)o1 ZINC000116895027 1037845545 /nfs/dbraw/zinc/84/55/45/1037845545.db2.gz AQTBZYUOWVKQNH-MRXNPFEDSA-N 0 0 349.814 3.681 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000117652693 1037857978 /nfs/dbraw/zinc/85/79/78/1037857978.db2.gz ITEMYJMFTBVFKS-PXAZEXFGSA-N 0 0 344.480 3.664 10 0 EHAERN COCCCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117626935 1037858572 /nfs/dbraw/zinc/85/85/72/1037858572.db2.gz SBVGZGQEVVYJRE-AUUYWEPGSA-N 0 0 341.407 3.605 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000117791955 1037860643 /nfs/dbraw/zinc/86/06/43/1037860643.db2.gz DIANEJSIVNBFHR-ZBEGNZNMSA-N 0 0 330.453 3.622 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)NCC2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000332926641 1037966629 /nfs/dbraw/zinc/96/66/29/1037966629.db2.gz KVWRXVKFIYLTJO-XHBSWPGZSA-N 0 0 337.489 3.502 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000123531155 1038031187 /nfs/dbraw/zinc/03/11/87/1038031187.db2.gz VHZKOBOJDFDUMN-GDBMZVCRSA-N 0 0 325.412 3.809 10 0 EHAERN CC(C)c1cc(C(=O)N2CCS[C@@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000408063466 1038121167 /nfs/dbraw/zinc/12/11/67/1038121167.db2.gz VLDVEYVARMGHDI-ZDUSSCGKSA-N 0 0 346.500 3.713 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000247128452 1039216018 /nfs/dbraw/zinc/21/60/18/1039216018.db2.gz VEYOLLVKQWEFIX-DHSIGJKJSA-N 0 0 336.863 3.738 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc([C@@H]2CCCO2)s1 ZINC000245546654 1039628536 /nfs/dbraw/zinc/62/85/36/1039628536.db2.gz DMAQGVNCGDWMLW-MXWKQRLJSA-N 0 0 348.390 3.846 10 0 EHAERN C[C@@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCCC2 ZINC000247142993 1039642067 /nfs/dbraw/zinc/64/20/67/1039642067.db2.gz QYDMKCNPEZHVNU-RBSFLKMASA-N 0 0 332.492 3.644 10 0 EHAERN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151214733 1039894649 /nfs/dbraw/zinc/89/46/49/1039894649.db2.gz ZMRSMZAVDRMPTA-FOIQADDNSA-N 0 0 343.398 3.853 10 0 EHAERN O=C(c1ccc(Br)s1)N1CCC[C@@H]1c1nccs1 ZINC000364241322 1040553254 /nfs/dbraw/zinc/55/32/54/1040553254.db2.gz SOQFPRFCASAOQK-MRVPVSSYSA-N 0 0 343.271 3.944 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCCc2sc(Cl)cc21)[C@@H]1CCCO1 ZINC000332988795 1040769910 /nfs/dbraw/zinc/76/99/10/1040769910.db2.gz YSVNKKVRGGANTL-DLOVCJGASA-N 0 0 328.865 3.646 10 0 EHAERN O=C(Nc1cccc2c1CCO2)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000333033198 1041077849 /nfs/dbraw/zinc/07/78/49/1041077849.db2.gz MVNZPTNNVMNAAB-QWRGUYRKSA-N 0 0 328.334 3.864 10 0 EHAERN O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)c2ccccc2N1 ZINC000109469191 1041190990 /nfs/dbraw/zinc/19/09/90/1041190990.db2.gz YHDXHFUXUBRKIC-CYBMUJFWSA-N 0 0 325.755 3.864 10 0 EHAERN Cc1nn(C)c2cc(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)ccc12 ZINC000333155871 1041376209 /nfs/dbraw/zinc/37/62/09/1041376209.db2.gz GJOLMVLWZDTIOP-BAGFXWCHSA-N 0 0 338.455 3.782 10 0 EHAERN O=C(NC[C@@H]1CCCC1(F)F)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000333158869 1041384003 /nfs/dbraw/zinc/38/40/03/1041384003.db2.gz GWRIXTCDRATDIA-AVGNSLFASA-N 0 0 344.427 3.703 10 0 EHAERN O=C(NC1CCC2(CC2)CC1)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000333158417 1041384216 /nfs/dbraw/zinc/38/42/16/1041384216.db2.gz GUTFKQYMXFHZJV-GJZGRUSLSA-N 0 0 334.485 3.990 10 0 EHAERN CC(C)c1nnc2ccc(NC(=O)N3CC(C)(C)[C@H]4CCC[C@@H]43)cn21 ZINC000333169718 1041395511 /nfs/dbraw/zinc/39/55/11/1041395511.db2.gz JCHKCYIPOWJJMB-GJZGRUSLSA-N 0 0 341.459 3.895 10 0 EHAERN Cc1cnn([C@@H]2CCCN(c3nc(-c4cccc(Cl)c4)no3)C2)c1 ZINC000301393125 1041814998 /nfs/dbraw/zinc/81/49/98/1041814998.db2.gz IXHZKNQYQHZARV-OAHLLOKOSA-N 0 0 343.818 3.736 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000162540427 1042737128 /nfs/dbraw/zinc/73/71/28/1042737128.db2.gz VSEHRUDXYPLJIT-DYZYQPBXSA-N 0 0 346.356 3.971 10 0 EHAERN CCC[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000162544238 1042737550 /nfs/dbraw/zinc/73/75/50/1042737550.db2.gz DIOQOGLDMCMWRT-LJQANCHMSA-N 0 0 339.483 3.785 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408254191 1042870638 /nfs/dbraw/zinc/87/06/38/1042870638.db2.gz BRBFBWQYOSMRRS-BONVTDFDSA-N 0 0 344.242 3.547 10 0 EHAERN Cc1cc(F)cc(-n2cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)nn2)c1 ZINC000408266142 1042894910 /nfs/dbraw/zinc/89/49/10/1042894910.db2.gz XHUSNEKQBNULOC-KDOFPFPSSA-N 0 0 342.418 3.510 10 0 EHAERN C[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000408278706 1042938984 /nfs/dbraw/zinc/93/89/84/1042938984.db2.gz VFPKQNXNBYJGID-FVQBIDKESA-N 0 0 344.484 3.757 10 0 EHAERN Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408340368 1043349994 /nfs/dbraw/zinc/34/99/94/1043349994.db2.gz NYMOAQHXIXGMBA-ACJLOTCBSA-N 0 0 336.501 3.516 10 0 EHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)c1nccs1)CCC2 ZINC000111859558 1043965478 /nfs/dbraw/zinc/96/54/78/1043965478.db2.gz AMQLWWZQXLKUHZ-BXKDBHETSA-N 0 0 336.486 3.688 10 0 EHAERN Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)OCO2 ZINC000033889365 1057926610 /nfs/dbraw/zinc/92/66/10/1057926610.db2.gz WJWXPZOOYSFYEI-SXGWCWSVSA-N 0 0 339.372 3.965 10 0 EHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1Cc1ccccc1 ZINC000104908992 1127902503 /nfs/dbraw/zinc/90/25/03/1127902503.db2.gz XJHPFRDCHOOCKR-NRFANRHFSA-N 0 0 345.442 3.611 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000282193865 1128054938 /nfs/dbraw/zinc/05/49/38/1128054938.db2.gz SMCWUGVBKUBULQ-IMJJTQAJSA-N 0 0 346.858 3.977 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000282193873 1128054947 /nfs/dbraw/zinc/05/49/47/1128054947.db2.gz SMCWUGVBKUBULQ-NUEKZKHPSA-N 0 0 346.858 3.977 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCCCC[C@H]2c2ccncc2)C[C@H](C)O1 ZINC000282260004 1128137031 /nfs/dbraw/zinc/13/70/31/1128137031.db2.gz PCCJCNCIHMWQDS-ZMMAXQRCSA-N 0 0 345.487 3.912 10 0 EHAERN CCOc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1C ZINC000268898636 1128724554 /nfs/dbraw/zinc/72/45/54/1128724554.db2.gz KZMGOOHDYMIUQC-HNAYVOBHSA-N 0 0 332.444 3.553 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCc3c2cnn3C)c2ccccc21 ZINC000269854720 1128795809 /nfs/dbraw/zinc/79/58/09/1128795809.db2.gz UVLFYRFLGOJMPL-FSPWUOQZSA-N 0 0 338.455 3.735 10 0 EHAERN COCc1ccc(C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)o1 ZINC000102967890 1132568280 /nfs/dbraw/zinc/56/82/80/1132568280.db2.gz DIDXWTNSKJNFJB-SFHVURJKSA-N 0 0 341.338 3.907 10 0 EHAERN CSc1ccc(OC(=O)CCN(Cc2ccccc2)C(C)=O)cc1 ZINC000101809265 1135398526 /nfs/dbraw/zinc/39/85/26/1135398526.db2.gz LRUNDFZFMPHPMX-UHFFFAOYSA-N 0 0 343.448 3.753 10 0 EHAERN CCC[C@H](C)CC(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000102141738 1135464282 /nfs/dbraw/zinc/46/42/82/1135464282.db2.gz KIINXSAQNNRVSD-GOEBONIOSA-N 0 0 335.444 3.810 10 0 EHAERN CC(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102744501 1135639113 /nfs/dbraw/zinc/63/91/13/1135639113.db2.gz FFZKWAQJWMFGBM-TXEJJXNPSA-N 0 0 344.377 3.914 10 0 EHAERN O=C(OCCc1cccnc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000105557297 1135953755 /nfs/dbraw/zinc/95/37/55/1135953755.db2.gz PKZCOMWWQRKGTM-UHFFFAOYSA-N 0 0 345.826 3.569 10 0 EHAERN CC[C@H](COC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 ZINC000105775611 1135976304 /nfs/dbraw/zinc/97/63/04/1135976304.db2.gz CTLOSILPQDDPDW-MRXNPFEDSA-N 0 0 346.448 3.582 10 0 EHAERN CN(C[C@@H]1CCCO1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000101690943 1137871252 /nfs/dbraw/zinc/87/12/52/1137871252.db2.gz YKNQYSJOVDRMCH-IBGZPJMESA-N 0 0 325.408 3.517 10 0 EHAERN CCOCc1cccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 ZINC000102415946 1137873079 /nfs/dbraw/zinc/87/30/79/1137873079.db2.gz NHGDOVFOEYMANK-CVEARBPZSA-N 0 0 326.440 3.901 10 0 EHAERN CCOc1ccc(CNC(=O)CCSCc2ccccn2)cc1F ZINC000105984683 1137882501 /nfs/dbraw/zinc/88/25/01/1137882501.db2.gz FOFJHRLWPCKBJZ-UHFFFAOYSA-N 0 0 348.443 3.559 10 0 EHAERN Cc1nc(NC(=O)N[C@@H]2CCO[C@@H]2C)sc1Cc1ccc(C)cc1 ZINC000333435078 1138290072 /nfs/dbraw/zinc/29/00/72/1138290072.db2.gz INMDENWBBFASJL-UKRRQHHQSA-N 0 0 345.468 3.650 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](O)CC23CCC3)c2ccccc21 ZINC000333727499 1138326162 /nfs/dbraw/zinc/32/61/62/1138326162.db2.gz KNMORVUOXMADGY-VKJFTORMSA-N 0 0 328.456 3.714 10 0 EHAERN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333993573 1138358650 /nfs/dbraw/zinc/35/86/50/1138358650.db2.gz LXGYMFVPOISJPX-JYJNAYRXSA-N 0 0 334.419 3.554 10 0 EHAERN CCCOc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C)c1 ZINC000184516772 1140106940 /nfs/dbraw/zinc/10/69/40/1140106940.db2.gz QIPCLUZQEJTWAL-MRXNPFEDSA-N 0 0 343.431 3.661 10 0 EHAERN Cc1nc(CCCC(=O)N2CCC[C@H]2c2csc(C)n2)cs1 ZINC000187007946 1140231799 /nfs/dbraw/zinc/23/17/99/1140231799.db2.gz PEQKTDCZFKJHCU-HNNXBMFYSA-N 0 0 335.498 3.903 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2occc2Br)cs1 ZINC000187108624 1140238628 /nfs/dbraw/zinc/23/86/28/1140238628.db2.gz QHWUSMLWBODJHH-NSHDSACASA-N 0 0 341.230 3.784 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2ccc(F)cc2C)cs1 ZINC000187118920 1140239413 /nfs/dbraw/zinc/23/94/13/1140239413.db2.gz DBIRUHCMKDNJDH-KRWDZBQOSA-N 0 0 347.459 3.988 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)c2oc3c(cccc3Cl)c2C)C[C@@H]1C ZINC000187969496 1140278278 /nfs/dbraw/zinc/27/82/78/1140278278.db2.gz YMYZPWOFCYUXNA-CMPLNLGQSA-N 0 0 349.814 3.666 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000188001786 1140279385 /nfs/dbraw/zinc/27/93/85/1140279385.db2.gz GXZRGZVWSOPFDM-JTQLQIEISA-N 0 0 348.902 3.692 10 0 EHAERN COc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000188519273 1140300047 /nfs/dbraw/zinc/30/00/47/1140300047.db2.gz IKYFGEQPXPMRBC-AWEZNQCLSA-N 0 0 335.404 3.968 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nnc(C3CC3)n2C2CC2)cs1 ZINC000189856250 1140368606 /nfs/dbraw/zinc/36/86/06/1140368606.db2.gz YZHRDAGKXLJCEI-HNNXBMFYSA-N 0 0 329.473 3.592 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCc2c(C)noc2Cl)cs1 ZINC000190005129 1140379476 /nfs/dbraw/zinc/37/94/76/1140379476.db2.gz LNCJTHLWJCYUAD-ZDUSSCGKSA-N 0 0 339.848 3.698 10 0 EHAERN COc1ccc(Br)cc1CSc1nccc(C)n1 ZINC000051332157 214090245 /nfs/dbraw/zinc/09/02/45/214090245.db2.gz NDFMXVZYBYNSHI-UHFFFAOYSA-N 0 0 325.231 3.848 10 0 EHAERN O=C(CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000053195026 214168752 /nfs/dbraw/zinc/16/87/52/214168752.db2.gz NCLLHIIDGKNHRA-UHFFFAOYSA-N 0 0 328.843 3.735 10 0 EHAERN COc1c(F)ccc(CN(Cc2ccccn2)C[C@H]2CCCO2)c1F ZINC000055089984 214271969 /nfs/dbraw/zinc/27/19/69/214271969.db2.gz XOXYWZBAAYCPDB-MRXNPFEDSA-N 0 0 348.393 3.550 10 0 EHAERN CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000055743248 214339957 /nfs/dbraw/zinc/33/99/57/214339957.db2.gz VPOLYGHDTPLEHY-JTQLQIEISA-N 0 0 334.778 3.929 10 0 EHAERN COc1ccc(CSc2ccc(N)nc2)cc1Br ZINC000049596402 214020952 /nfs/dbraw/zinc/02/09/52/214020952.db2.gz NJWCQRISHITZFT-UHFFFAOYSA-N 0 0 325.231 3.727 10 0 EHAERN CCC(=O)Nc1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000064526616 214791031 /nfs/dbraw/zinc/79/10/31/214791031.db2.gz TZUJSVUAQOSKHU-UHFFFAOYSA-N 0 0 328.456 3.763 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)c1sccc1Br ZINC000048046179 213884291 /nfs/dbraw/zinc/88/42/91/213884291.db2.gz YHKNTQMLNSQACE-LLVKDONJSA-N 0 0 338.226 3.764 10 0 EHAERN COc1ccc2ncnc(Nc3cccc(Br)c3)c2n1 ZINC000003815144 210076551 /nfs/dbraw/zinc/07/65/51/210076551.db2.gz ZXEVFSPNUIEQJL-UHFFFAOYSA-N 0 0 331.173 3.540 10 0 EHAERN Cc1ccccc1NC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000041779515 213464360 /nfs/dbraw/zinc/46/43/60/213464360.db2.gz NOZODQSVNQRTGR-QGZVFWFLSA-N 0 0 346.377 3.666 10 0 EHAERN O=C(c1ccc(Br)cc1)[C@H](O)c1c[nH]c2ccccc21 ZINC000002699730 209891605 /nfs/dbraw/zinc/89/16/05/209891605.db2.gz OGZMABUALFEPNV-MRXNPFEDSA-N 0 0 330.181 3.847 10 0 EHAERN Nc1ccc(NC(=O)c2sccc2Br)c(Cl)c1 ZINC000104292592 219371136 /nfs/dbraw/zinc/37/11/36/219371136.db2.gz OLOBCONYEJRAHP-UHFFFAOYSA-N 0 0 331.622 3.999 10 0 EHAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1OC ZINC000040852694 213393512 /nfs/dbraw/zinc/39/35/12/213393512.db2.gz VNZLPEWUGYNEFJ-WUXMJOGZSA-N 0 0 328.364 3.721 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 ZINC000040779656 213386005 /nfs/dbraw/zinc/38/60/05/213386005.db2.gz LWIOPGFRXHJORZ-UHFFFAOYSA-N 0 0 343.774 3.652 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)c1 ZINC000040762034 213384290 /nfs/dbraw/zinc/38/42/90/213384290.db2.gz HOTDTEBICNUQKU-UHFFFAOYSA-N 0 0 349.394 3.626 10 0 EHAERN Cc1ccc2cccc(Nc3ncnc(Nc4nccs4)c3N)c2n1 ZINC000040758586 213383973 /nfs/dbraw/zinc/38/39/73/213383973.db2.gz MDTMYXWKEIMPPR-UHFFFAOYSA-N 0 0 349.423 3.859 10 0 EHAERN CCn1nc(C(=O)NCc2cccc(F)c2)cc1-c1cccs1 ZINC000040427742 213302278 /nfs/dbraw/zinc/30/22/78/213302278.db2.gz HPXLOJKUMLEXMX-UHFFFAOYSA-N 0 0 329.400 3.701 10 0 EHAERN CCOc1ccc(NC(=O)Cn2c(C)nc3cc(C)c(C)cc32)cc1 ZINC000040295568 213289720 /nfs/dbraw/zinc/28/97/20/213289720.db2.gz ZTJMLOLGACARCH-UHFFFAOYSA-N 0 0 337.423 3.999 10 0 EHAERN Cc1sc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1N ZINC000040311997 213291117 /nfs/dbraw/zinc/29/11/17/213291117.db2.gz GWWIAWPMWXKPNV-QMMMGPOBSA-N 0 0 339.258 3.892 10 0 EHAERN Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(C)C)cc1 ZINC000040200083 213280759 /nfs/dbraw/zinc/28/07/59/213280759.db2.gz YHRWADJXDGXKDI-UHFFFAOYSA-N 0 0 335.451 3.973 10 0 EHAERN CCCCNC(=O)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1 ZINC000040180241 213280586 /nfs/dbraw/zinc/28/05/86/213280586.db2.gz YFYXRRDLARDVPE-UHFFFAOYSA-N 0 0 338.386 3.603 10 0 EHAERN Cn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cccc(Cl)c21 ZINC000039962957 213246749 /nfs/dbraw/zinc/24/67/49/213246749.db2.gz VPMKZRGLGATXOK-UHFFFAOYSA-N 0 0 330.746 3.583 10 0 EHAERN COC(=O)c1ccc(-c2cn3cccc(Br)c3n2)cc1 ZINC000039325761 213233963 /nfs/dbraw/zinc/23/39/63/213233963.db2.gz FFMOLIRVOKLOCG-UHFFFAOYSA-N 0 0 331.169 3.550 10 0 EHAERN COc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000069664166 215526486 /nfs/dbraw/zinc/52/64/86/215526486.db2.gz LAXZDQJUVGWFHX-MSOLQXFVSA-N 0 0 347.418 3.505 10 0 EHAERN Nc1cccc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)c1 ZINC000038001348 213185748 /nfs/dbraw/zinc/18/57/48/213185748.db2.gz YMUHJETTWODKKK-UHFFFAOYSA-N 0 0 325.195 3.983 10 0 EHAERN CCOC(=O)c1ccsc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000037975111 213179250 /nfs/dbraw/zinc/17/92/50/213179250.db2.gz FOAOJVVWPLNHBC-UHFFFAOYSA-N 0 0 345.207 3.879 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCCC1)c1ccc(Br)cc1 ZINC000037972216 213177819 /nfs/dbraw/zinc/17/78/19/213177819.db2.gz JVQXNFWBOCYKFN-HNNXBMFYSA-N 0 0 340.261 3.976 10 0 EHAERN O=C([O-])[C@H]([NH2+]Cc1cccs1)c1ccc(F)c(Br)c1 ZINC000037966571 213176377 /nfs/dbraw/zinc/17/63/77/213176377.db2.gz UIGAYFCAWUYSJU-GFCCVEGCSA-N 0 0 344.205 3.565 10 0 EHAERN CC(C)(C)[N@H+](CCC(=O)[O-])Cc1ccc(F)cc1Br ZINC000037597327 213160236 /nfs/dbraw/zinc/16/02/36/213160236.db2.gz YTXARLBMNDNXRH-UHFFFAOYSA-N 0 0 332.213 3.663 10 0 EHAERN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccncc2)cc1 ZINC000037522249 213152636 /nfs/dbraw/zinc/15/26/36/213152636.db2.gz LMHMWKVANAQQEZ-OAQYLSRUSA-N 0 0 333.435 3.887 10 0 EHAERN Cc1cc(Cl)nc(-c2cc(Br)c3c(c2)OCCO3)n1 ZINC000037409226 213144643 /nfs/dbraw/zinc/14/46/43/213144643.db2.gz HNLBLKICKPPUFY-UHFFFAOYSA-N 0 0 341.592 3.639 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1)c1ccccc1 ZINC000036615437 213102783 /nfs/dbraw/zinc/10/27/83/213102783.db2.gz YJVPOTAYFYPPTO-ZBEGNZNMSA-N 0 0 346.789 3.850 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@@H](OCc3ccc(C)cc3)C2)cc1 ZINC000036314730 213083481 /nfs/dbraw/zinc/08/34/81/213083481.db2.gz ZCIMCGDQSVPISF-HXUWFJFHSA-N 0 0 339.435 3.825 10 0 EHAERN CCCNC(=O)N(Cc1cc(-c2cccc(OC)c2)on1)C(C)C ZINC000036012692 213055195 /nfs/dbraw/zinc/05/51/95/213055195.db2.gz OMJFCOPKFMNZSL-UHFFFAOYSA-N 0 0 331.416 3.680 10 0 EHAERN N=C1N[C@@](c2ccccc2)(C2CCCCC2)C(=O)N1C1CCCCC1 ZINC000034949139 213002210 /nfs/dbraw/zinc/00/22/10/213002210.db2.gz OQEIAHGVCLXMKC-NRFANRHFSA-N 0 0 339.483 3.952 10 0 EHAERN O=C(Cc1ccnc2ccccc12)c1cccc(Br)n1 ZINC000034598453 212979331 /nfs/dbraw/zinc/97/93/31/212979331.db2.gz ZPEPSHFZIXOCIQ-UHFFFAOYSA-N 0 0 327.181 3.818 10 0 EHAERN Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 ZINC000032530400 212808767 /nfs/dbraw/zinc/80/87/67/212808767.db2.gz VUXATAKIDGWZBM-UHFFFAOYSA-N 0 0 326.783 3.602 10 0 EHAERN Cc1cc(C)cc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)c1 ZINC000032530581 212808343 /nfs/dbraw/zinc/80/83/43/212808343.db2.gz CRKWJZDBROWHLR-UHFFFAOYSA-N 0 0 334.419 3.874 10 0 EHAERN C[C@@H]1C[C@@H]1NC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000072094652 216007313 /nfs/dbraw/zinc/00/73/13/216007313.db2.gz BJIKFYPIILMSBS-RISCZKNCSA-N 0 0 339.420 3.653 10 0 EHAERN CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)[nH]c2=O)cc1 ZINC000072451042 216238789 /nfs/dbraw/zinc/23/87/89/216238789.db2.gz JWKLSQQMJAHXAO-UHFFFAOYSA-N 0 0 346.386 3.805 10 0 EHAERN COc1ccc(Br)c(C(=O)N(C)[C@H](C)CC(C)C)c1 ZINC000037984249 213182502 /nfs/dbraw/zinc/18/25/02/213182502.db2.gz JGHXADUBSFEWLR-LLVKDONJSA-N 0 0 328.250 3.964 10 0 EHAERN O=C(c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1)N1CCC1 ZINC000022663724 212315960 /nfs/dbraw/zinc/31/59/60/212315960.db2.gz QWSCUMPIHPNLLT-UHFFFAOYSA-N 0 0 339.345 3.663 10 0 EHAERN COc1cccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000021145446 212211224 /nfs/dbraw/zinc/21/12/24/212211224.db2.gz TTZQMGNIDCWAKS-UHFFFAOYSA-N 0 0 326.396 3.932 10 0 EHAERN CC(=O)Oc1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000021025023 212200601 /nfs/dbraw/zinc/20/06/01/212200601.db2.gz ILDVRSXCMNUXAY-UHFFFAOYSA-N 0 0 334.169 3.627 10 0 EHAERN Cc1ccc(N)c(C)c1NC(=O)c1ccc(Br)s1 ZINC000019475093 212031179 /nfs/dbraw/zinc/03/11/79/212031179.db2.gz CDDJYAVLLLSETM-UHFFFAOYSA-N 0 0 325.231 3.962 10 0 EHAERN Cc1c(N)cccc1NC(=O)CCOc1ccccc1Br ZINC000019473921 212030721 /nfs/dbraw/zinc/03/07/21/212030721.db2.gz CNKKYGOHGUQBGL-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccncc2)c1C ZINC000012836644 211468269 /nfs/dbraw/zinc/46/82/69/211468269.db2.gz UGVPIBHCTLRDHV-GOSISDBHSA-N 0 0 346.434 3.692 10 0 EHAERN C[C@@H](C(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000011991065 211276276 /nfs/dbraw/zinc/27/62/76/211276276.db2.gz PGTLOCGIFVVBRY-LBPRGKRZSA-N 0 0 338.432 3.781 10 0 EHAERN Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)C1CCC1 ZINC000011773828 211246846 /nfs/dbraw/zinc/24/68/46/211246846.db2.gz LIWLNDXRCXAFTO-AWEZNQCLSA-N 0 0 330.476 3.533 10 0 EHAERN O=c1[nH]c2c(-c3ccccc3Cl)nnn2c2ccc(Cl)cc12 ZINC000010272734 211160207 /nfs/dbraw/zinc/16/02/07/211160207.db2.gz DGBHPKOGDCQBLH-UHFFFAOYSA-N 0 0 331.162 3.545 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOCc1cncs1 ZINC000095086411 218277413 /nfs/dbraw/zinc/27/74/13/218277413.db2.gz STKNZGAIESBTDA-ZDUSSCGKSA-N 0 0 326.462 3.839 10 0 EHAERN C[C@@H](c1nccs1)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088798 218279031 /nfs/dbraw/zinc/27/90/31/218279031.db2.gz FOKSCZQUVJGVOZ-STQMWFEESA-N 0 0 325.478 3.535 10 0 EHAERN C[C@@]1(c2ccccc2)NCC(=O)Nc2ccc(-c3ccc(O)cc3)cc21 ZINC000095092876 218280020 /nfs/dbraw/zinc/28/00/20/218280020.db2.gz HXJNZSXZFBNFLG-QFIPXVFZSA-N 0 0 344.414 3.864 10 0 EHAERN CCN(Cc1ccc(I)cc1)C(F)(F)F ZINC000095091201 218280156 /nfs/dbraw/zinc/28/01/56/218280156.db2.gz ZOXODBZUIQXSPN-UHFFFAOYSA-N 0 0 329.103 3.633 10 0 EHAERN CCc1ccc(NC(=O)CN2c3ccccc3SCCC2=O)cc1 ZINC000005051663 210375248 /nfs/dbraw/zinc/37/52/48/210375248.db2.gz YIWKUZPEOOXLKK-UHFFFAOYSA-N 0 0 340.448 3.717 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1ccncc1Cl)CCCC2 ZINC000328625667 258032989 /nfs/dbraw/zinc/03/29/89/258032989.db2.gz DKCYIQYIXXMBIL-QGZVFWFLSA-N 0 0 330.863 3.684 10 0 EHAERN Cc1nc(Cc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)cs1 ZINC000299750216 258007822 /nfs/dbraw/zinc/00/78/22/258007822.db2.gz MWXPNIHCLUIXLB-GOEBONIOSA-N 0 0 327.409 3.671 10 0 EHAERN O=C(Cn1c2ccccc2nc1C1CC1)N1CCCc2ccccc21 ZINC000040231731 132399183 /nfs/dbraw/zinc/39/91/83/132399183.db2.gz WUMGLWJUOMVNJH-UHFFFAOYSA-N 0 0 331.419 3.893 10 0 EHAERN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000253611243 534783088 /nfs/dbraw/zinc/78/30/88/534783088.db2.gz DUHUCHOQIDJXAT-RPFZEJPASA-N 0 0 332.484 3.774 10 0 EHAERN Cc1ccc(NC[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000057340618 525281227 /nfs/dbraw/zinc/28/12/27/525281227.db2.gz ICSWLSOUMSNHAB-CQSZACIVSA-N 0 0 349.356 3.837 10 0 EHAERN CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1 ZINC000025973757 563889557 /nfs/dbraw/zinc/88/95/57/563889557.db2.gz APOMSSAGEAOUGO-UHFFFAOYSA-N 0 0 326.831 3.723 10 0 in-vivo EHAERN CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1c1ccc(F)cc1 ZINC000095743870 563977651 /nfs/dbraw/zinc/97/76/51/563977651.db2.gz UPAUPKRIKIUCQW-SFHVURJKSA-N 0 0 329.371 3.501 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000583621252 564018124 /nfs/dbraw/zinc/01/81/24/564018124.db2.gz FEMDOSYIZUURNH-IRXDYDNUSA-N 0 0 349.352 3.638 10 0 EHAERN CCCCC(=O)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 ZINC000046915777 564025589 /nfs/dbraw/zinc/02/55/89/564025589.db2.gz WPXHYVPTGSYMER-UHFFFAOYSA-N 0 0 340.402 3.544 10 0 EHAERN NC(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2F)cc1 ZINC000032930038 564036301 /nfs/dbraw/zinc/03/63/01/564036301.db2.gz DOXSIKHNFGSEAY-UHFFFAOYSA-N 0 0 348.377 3.522 10 0 EHAERN O=C(c1ccc2ncccc2c1)N1CCC(c2ccccc2CO)CC1 ZINC000241515531 564051999 /nfs/dbraw/zinc/05/19/99/564051999.db2.gz OGAVDJNEJMXRNO-UHFFFAOYSA-N 0 0 346.430 3.747 10 0 EHAERN Cc1ccc(-n2c(=O)c3cccnc3n2Cc2ccc(F)cc2)cc1C ZINC000064951327 564098311 /nfs/dbraw/zinc/09/83/11/564098311.db2.gz XOMJEBLTKHJYNY-UHFFFAOYSA-N 0 0 347.393 3.991 10 0 EHAERN CCCc1nc2cccnc2n1[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000065271477 564103775 /nfs/dbraw/zinc/10/37/75/564103775.db2.gz NYMTVJOHJVGIJF-MRXNPFEDSA-N 0 0 349.438 3.863 10 0 EHAERN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000032106762 564129140 /nfs/dbraw/zinc/12/91/40/564129140.db2.gz SKEGQFZZUKYRKV-CXYGEXQVSA-N 0 0 330.468 3.550 10 0 EHAERN CC1=C(C#N)[C@H]2Nc3ccccc3N2C(Nc2cccc([N+](=O)[O-])c2)=C1 ZINC000048524006 564129296 /nfs/dbraw/zinc/12/92/96/564129296.db2.gz VWCZXFXUFGWHDV-IBGZPJMESA-N 0 0 345.362 3.960 10 0 EHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000253396053 564130520 /nfs/dbraw/zinc/13/05/20/564130520.db2.gz KEHBWXPCFDVISV-SXLOBPIMSA-N 0 0 340.467 3.574 10 0 EHAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1sccc1Br ZINC000405590114 564177609 /nfs/dbraw/zinc/17/76/09/564177609.db2.gz CULIBHJLKLCHST-SSDOTTSWSA-N 0 0 334.235 3.607 10 0 EHAERN COc1ccc(NC(=O)c2cc3c(s2)CN(C2CC2)C3)c(C)c1 ZINC000065238878 568421266 /nfs/dbraw/zinc/42/12/66/568421266.db2.gz CGTHOMZNKSKYHL-UHFFFAOYSA-N 0 0 328.437 3.795 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)CCCC3CCCC3)CC2)nc1 ZINC000080444144 1032057850 /nfs/dbraw/zinc/05/78/50/1032057850.db2.gz MJRRZQSVISNDTH-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN COC(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1F ZINC000182320644 1032088516 /nfs/dbraw/zinc/08/85/16/1032088516.db2.gz UYRKRXCFTMWVHL-QLJPJBMISA-N 0 0 344.342 3.507 10 0 EHAERN C[N@H+](Cc1cc(C(=O)[O-])cs1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000711418282 977545608 /nfs/dbraw/zinc/54/56/08/977545608.db2.gz VONOVYRBJLIFFF-QGZVFWFLSA-N 0 0 344.480 3.543 10 0 EHAERN CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(S(C)(=O)=O)c1 ZINC000246062758 1015786595 /nfs/dbraw/zinc/78/65/95/1015786595.db2.gz YMQSNJVVOIINJO-HRCADAONSA-N 0 0 349.496 3.659 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000246171453 1015789840 /nfs/dbraw/zinc/78/98/40/1015789840.db2.gz LKPUSMXKLPODSX-ILXRZTDVSA-N 0 0 332.492 3.644 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[nH]1 ZINC000407980786 1016686289 /nfs/dbraw/zinc/68/62/89/1016686289.db2.gz OCCDUOIQXGEBPA-UPJWGTAASA-N 0 0 344.381 3.535 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C)c1F ZINC000179990046 1016882922 /nfs/dbraw/zinc/88/29/22/1016882922.db2.gz WGYHSIMXLJIBCZ-OAHLLOKOSA-N 0 0 330.407 3.853 10 0 EHAERN Cc1c(Cl)cc(F)c(NC(=O)N2CCC([C@H](C)O)CC2)c1F ZINC000408022911 1017017368 /nfs/dbraw/zinc/01/73/68/1017017368.db2.gz WBQNSPPKCPQXQC-VIFPVBQESA-N 0 0 332.778 3.551 10 0 EHAERN Cc1cc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)ccc1F ZINC000182977442 1017227589 /nfs/dbraw/zinc/22/75/89/1017227589.db2.gz YNSDAXCFUISNKS-UHFFFAOYSA-N 0 0 330.407 3.581 10 0 EHAERN CCCCOCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000118343408 1032203853 /nfs/dbraw/zinc/20/38/53/1032203853.db2.gz SJQMGXIBZWDBJL-QGZVFWFLSA-N 0 0 341.455 3.599 10 0 EHAERN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCCN(c2ccccn2)CC1 ZINC000183780431 1032205964 /nfs/dbraw/zinc/20/59/64/1032205964.db2.gz HIKAHPNRZNPAJW-HNNXBMFYSA-N 0 0 328.460 3.640 10 0 EHAERN O=C(NC(c1cccs1)c1cccs1)[C@H]1CCCn2ccnc21 ZINC000080670042 1032229253 /nfs/dbraw/zinc/22/92/53/1032229253.db2.gz PJHFGBHZSUDTIJ-LBPRGKRZSA-N 0 0 343.477 3.789 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)[C@@H](c2ccco2)C1 ZINC000248745958 1032301790 /nfs/dbraw/zinc/30/17/90/1032301790.db2.gz FLIWUDNDKPZHEE-GFOCRRMGSA-N 0 0 332.444 3.720 10 0 EHAERN CCC(CC)n1ncc(C(=O)Nc2cccc3c2OCC[C@H]3O)c1C ZINC000185350281 1032383720 /nfs/dbraw/zinc/38/37/20/1032383720.db2.gz SHPDYRXWUFWEGM-QGZVFWFLSA-N 0 0 343.427 3.621 10 0 EHAERN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119077634 1032562200 /nfs/dbraw/zinc/56/22/00/1032562200.db2.gz HUFCYDNBZZWCHP-KBPBESRZSA-N 0 0 325.393 3.849 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1noc2c1CCCC2 ZINC000330085706 1017624097 /nfs/dbraw/zinc/62/40/97/1017624097.db2.gz DADMZORTGSNYQQ-JQWIXIFHSA-N 0 0 330.350 3.652 10 0 EHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330146177 1018358054 /nfs/dbraw/zinc/35/80/54/1018358054.db2.gz LKKGYKOTPHNLGC-FRQCXROJSA-N 0 0 348.491 3.649 10 0 EHAERN Cc1nc(NC(=O)N[C@@H]2CCO[C@H]2C)sc1Cc1ccc(C)cc1 ZINC000333435076 1019563964 /nfs/dbraw/zinc/56/39/64/1019563964.db2.gz INMDENWBBFASJL-DZGCQCFKSA-N 0 0 345.468 3.650 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000088197965 1020080319 /nfs/dbraw/zinc/08/03/19/1020080319.db2.gz LKPUSMXKLPODSX-KKUMJFAQSA-N 0 0 332.492 3.644 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000088197967 1020080707 /nfs/dbraw/zinc/08/07/07/1020080707.db2.gz LKPUSMXKLPODSX-ZNMIVQPWSA-N 0 0 332.492 3.644 10 0 EHAERN O=C(/C=C\c1ccncn1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000588394282 1020243092 /nfs/dbraw/zinc/24/30/92/1020243092.db2.gz XQBORHLIZAXJPY-HJWRWDBZSA-N 0 0 339.414 3.647 10 0 EHAERN CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3c3ccco3)c(O)c2O1 ZINC000094152837 1032954791 /nfs/dbraw/zinc/95/47/91/1032954791.db2.gz WFFHYXMJJAOBNK-CQSZACIVSA-N 0 0 327.380 3.676 10 0 EHAERN C[C@H](NC(=O)Nc1ccccc1N(C)C1CCCC1)[C@H]1CCCO1 ZINC000121131300 1021457125 /nfs/dbraw/zinc/45/71/25/1021457125.db2.gz KRPNLQVZHABDJL-KBXCAEBGSA-N 0 0 331.460 3.754 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000588611303 1032993646 /nfs/dbraw/zinc/99/36/46/1032993646.db2.gz UNWYRYFZZAFEOC-VBKFSLOCSA-N 0 0 332.407 3.677 10 0 EHAERN Cc1cc(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)nn1C ZINC000123086696 1022312382 /nfs/dbraw/zinc/31/23/82/1022312382.db2.gz OUGIFYZGCFRFEM-HNNXBMFYSA-N 0 0 340.427 3.687 10 0 EHAERN O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127968129 1022402602 /nfs/dbraw/zinc/40/26/02/1022402602.db2.gz DDWOYZDNEKARAN-QFYYESIMSA-N 0 0 346.229 3.900 10 0 EHAERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccc(C2CCC2)cc1 ZINC000328654043 1022455647 /nfs/dbraw/zinc/45/56/47/1022455647.db2.gz LMROAZMJZSWNKL-VQTJNVASSA-N 0 0 336.435 3.999 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc3nc(C)[nH]c32)C12CCCC2 ZINC000328723038 1022464276 /nfs/dbraw/zinc/46/42/76/1022464276.db2.gz XUYUBHIGPVHQOY-DLBZAZTESA-N 0 0 341.455 3.681 10 0 EHAERN COCC1(c2noc([C@@H]3CCC[C@@H]4CCCC[C@@H]34)n2)CCOCC1 ZINC000328866942 1022520912 /nfs/dbraw/zinc/52/09/12/1022520912.db2.gz GUYLWKYSHGYNJI-ARFHVFGLSA-N 0 0 334.460 3.838 10 0 EHAERN Cc1ccc2snc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)c2c1 ZINC000293613110 1022545767 /nfs/dbraw/zinc/54/57/67/1022545767.db2.gz LYSPNGRYZDUXPA-FVQBIDKESA-N 0 0 344.480 3.760 10 0 EHAERN CCc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000101737539 1022687464 /nfs/dbraw/zinc/68/74/64/1022687464.db2.gz DKGZEHXJDBKTQY-OAHLLOKOSA-N 0 0 345.487 3.654 10 0 EHAERN CC(C)Cc1ccc([C@@H](NC(=O)NCc2ccnn2C)C2CC2)cc1 ZINC000101791826 1022734132 /nfs/dbraw/zinc/73/41/32/1022734132.db2.gz SLGPKWWOKSWZEP-LJQANCHMSA-N 0 0 340.471 3.569 10 0 EHAERN Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCC(F)(F)F ZINC000072498931 1022948905 /nfs/dbraw/zinc/94/89/05/1022948905.db2.gz SXKVFDOAVXACSL-BQYQJAHWSA-N 0 0 343.736 3.526 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Oc1ccccc1OCC(F)(F)F ZINC000588452678 1023025499 /nfs/dbraw/zinc/02/54/99/1023025499.db2.gz ULLRLNVCLMOCBG-HJWRWDBZSA-N 0 0 337.297 3.950 10 0 EHAERN COc1ccccc1C1(CNC(=O)/C=C\c2ncccc2C)CCC1 ZINC000588457075 1023084266 /nfs/dbraw/zinc/08/42/66/1023084266.db2.gz HXDGEZWHHUMRCI-KHPPLWFESA-N 0 0 336.435 3.650 10 0 EHAERN CCCC1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000055431759 1023187563 /nfs/dbraw/zinc/18/75/63/1023187563.db2.gz PWQJKUXQAUMWLO-MQBCKMQZSA-N 0 0 346.496 3.965 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000090224651 1023256858 /nfs/dbraw/zinc/25/68/58/1023256858.db2.gz AYYZPXPFPZLYNF-SJORKVTESA-N 0 0 326.444 3.542 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000180308107 1023266338 /nfs/dbraw/zinc/26/63/38/1023266338.db2.gz FNGFHOAVFDBXQX-KSSFIOAISA-N 0 0 340.471 3.935 10 0 EHAERN O=C([C@H]1CCCc2c(O)cccc21)N1CCC[C@H](c2nccs2)C1 ZINC000190285685 1023280558 /nfs/dbraw/zinc/28/05/58/1023280558.db2.gz DMMMYFGXWNMCMW-BBRMVZONSA-N 0 0 342.464 3.675 10 0 EHAERN CCCc1nc(C)c(C(=O)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000190281643 1023280593 /nfs/dbraw/zinc/28/05/93/1023280593.db2.gz RKZGWVUICQRFEU-CQSZACIVSA-N 0 0 330.453 3.917 10 0 EHAERN CC(C)C[C@H](NC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1 ZINC000190594689 1023952277 /nfs/dbraw/zinc/95/22/77/1023952277.db2.gz HBCFMCWYOKDUSO-IMRCBTMISA-N 0 0 338.879 3.840 10 0 EHAERN C[C@H]1C[C@H](c2noc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)C[C@@H](C)C1 ZINC000329648266 1023978199 /nfs/dbraw/zinc/97/81/99/1023978199.db2.gz FBUQOQHGYUUQNC-CLWVCHIJSA-N 0 0 331.460 3.725 10 0 EHAERN Cc1ccc(C2(c3noc([C@@H]4CC[C@H](C)O4)n3)CCOCC2)cc1 ZINC000329679382 1024040812 /nfs/dbraw/zinc/04/08/12/1024040812.db2.gz QUTXERFDUWXMMT-HOCLYGCPSA-N 0 0 328.412 3.715 10 0 EHAERN COc1cc(C)ccc1NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000191324255 1024072851 /nfs/dbraw/zinc/07/28/51/1024072851.db2.gz TYRJVBBAIVZLEK-HNNXBMFYSA-N 0 0 326.396 3.908 10 0 EHAERN C[C@@H](NC(=O)c1cccn1C1CCCC1)c1nc(C(C)(C)C)no1 ZINC000182236161 1024078921 /nfs/dbraw/zinc/07/89/21/1024078921.db2.gz UHUFGOKLUIMLLB-GFCCVEGCSA-N 0 0 330.432 3.775 10 0 EHAERN C[C@H](C(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1)c1cccnc1 ZINC000329896642 1024239899 /nfs/dbraw/zinc/23/98/99/1024239899.db2.gz KYVNLXBPBZVTBL-LIRRHRJNSA-N 0 0 349.434 3.809 10 0 EHAERN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000329901474 1024241405 /nfs/dbraw/zinc/24/14/05/1024241405.db2.gz GYSWXHDCAWPMJK-CXKPUVAFSA-N 0 0 332.831 3.606 10 0 EHAERN Cc1cc(NC(=O)N2C[C@H]3CCC[C@@H]32)ccc1OC1CCOCC1 ZINC000329974982 1024271339 /nfs/dbraw/zinc/27/13/39/1024271339.db2.gz XWPCWDBXCKKFNS-PBHICJAKSA-N 0 0 330.428 3.569 10 0 EHAERN Cc1nc(CC(C)C)c(NC(=O)N[C@@H]2COc3ccccc32)s1 ZINC000135473063 1024271856 /nfs/dbraw/zinc/27/18/56/1024271856.db2.gz NMVIDSSSVZNVLC-CQSZACIVSA-N 0 0 331.441 3.905 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@H](C)c3ccccc3F)CCO2)o1 ZINC000151675172 1024378832 /nfs/dbraw/zinc/37/88/32/1024378832.db2.gz DVKQJQSMPGFSOZ-SCLBCKFNSA-N 0 0 331.387 3.821 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3nc4c(s3)CCCC4)CCO2)o1 ZINC000165798756 1024473612 /nfs/dbraw/zinc/47/36/12/1024473612.db2.gz WGFGCUBXSHYJDR-CQSZACIVSA-N 0 0 347.440 3.529 10 0 EHAERN CC(C)Sc1ccc(Cl)cc1NC(=O)NCc1ccnn1C ZINC000105049333 1024882147 /nfs/dbraw/zinc/88/21/47/1024882147.db2.gz NLJDOFJMNAMSOM-UHFFFAOYSA-N 0 0 338.864 3.896 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC[C@@H]1CCC[C@H](C)C1)C2 ZINC000115852709 1025073144 /nfs/dbraw/zinc/07/31/44/1025073144.db2.gz DSLUNLJMOWBGEP-HOTGVXAUSA-N 0 0 346.519 3.828 10 0 EHAERN CCn1nc(C)c(C(=O)N2CC=C(c3ccccc3)CC2)c1Cl ZINC000152122189 1025216249 /nfs/dbraw/zinc/21/62/49/1025216249.db2.gz QQZMHQODVHXPPB-UHFFFAOYSA-N 0 0 329.831 3.794 10 0 EHAERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(n1)CCCC2 ZINC000329001189 1025566728 /nfs/dbraw/zinc/56/67/28/1025566728.db2.gz HOUQRVGIJBJASQ-BSIFCXSSSA-N 0 0 342.483 3.506 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@H](C)C1 ZINC000333696804 1025975190 /nfs/dbraw/zinc/97/51/90/1025975190.db2.gz RBOIJUDXQMPKJJ-QWHCGFSZSA-N 0 0 337.489 3.937 10 0 EHAERN C[C@H]1CCC[C@H]1c1nc(-c2ccc(CN3CCCC3=O)cc2)no1 ZINC000329547715 1025982027 /nfs/dbraw/zinc/98/20/27/1025982027.db2.gz BBSKXTKHDHDFCV-XJKSGUPXSA-N 0 0 325.412 3.763 10 0 EHAERN CCCCCOCC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000122150711 1026256376 /nfs/dbraw/zinc/25/63/76/1026256376.db2.gz ALLGCEDHGIQGIF-UHFFFAOYSA-N 0 0 330.428 3.741 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)[C@H]2CCCC[C@@H]12 ZINC000248411259 1026576291 /nfs/dbraw/zinc/57/62/91/1026576291.db2.gz DPQMZGONIGKXQW-IFIJOSMWSA-N 0 0 347.434 3.570 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(Cn2cccn2)CC1 ZINC000125966662 1027143587 /nfs/dbraw/zinc/14/35/87/1027143587.db2.gz BTHMLMSGAVRZIK-ZWKOTPCHSA-N 0 0 343.858 3.579 10 0 EHAERN C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccncc1 ZINC000044716476 1027229000 /nfs/dbraw/zinc/22/90/00/1027229000.db2.gz BCBVJFIWPVJTFI-GFCCVEGCSA-N 0 0 341.411 3.764 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3cccc4cccnc34)CCO2)o1 ZINC000127384160 1027301520 /nfs/dbraw/zinc/30/15/20/1027301520.db2.gz QOGXVQNHDDQNSZ-RQMBKDMJSA-N 0 0 348.402 3.750 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)o1 ZINC000127479776 1027311727 /nfs/dbraw/zinc/31/17/27/1027311727.db2.gz ZUTYPCSEANZUOP-IBGZPJMESA-N 0 0 338.407 3.900 10 0 EHAERN CC(C)Oc1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246193381 1027940929 /nfs/dbraw/zinc/94/09/29/1027940929.db2.gz UBGRITJZWTWJMJ-KBRIMQKVSA-N 0 0 330.428 3.553 10 0 EHAERN COc1ccc(-c2cncc(C(=O)N[C@H](C)c3ccncc3)c2)cc1 ZINC000133234561 1028010109 /nfs/dbraw/zinc/01/01/09/1028010109.db2.gz RILIHODTTOSLCO-CQSZACIVSA-N 0 0 333.391 3.643 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)c(Cl)cc1Cl ZINC000246249999 1028073430 /nfs/dbraw/zinc/07/34/30/1028073430.db2.gz YFKGIYQNZHTUFO-MCCGJVOXSA-N 0 0 344.213 3.820 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccncc1 ZINC000134170819 1028098602 /nfs/dbraw/zinc/09/86/02/1028098602.db2.gz JIHUVGPFURRZMX-ZFWWWQNUSA-N 0 0 345.830 3.659 10 0 EHAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000246300995 1028182861 /nfs/dbraw/zinc/18/28/61/1028182861.db2.gz GUILQTGPLDZYGJ-CCVOSLTKSA-N 0 0 341.476 3.580 10 0 EHAERN COC[C@@H](NC(=O)N1CC=C(c2ccccc2F)CC1)c1ccco1 ZINC000135355305 1028183988 /nfs/dbraw/zinc/18/39/88/1028183988.db2.gz KBLHNECRZRSOGD-QGZVFWFLSA-N 0 0 344.386 3.605 10 0 EHAERN CC[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 ZINC000055967546 1028303369 /nfs/dbraw/zinc/30/33/69/1028303369.db2.gz QZRQTQKEOLEAKM-QWHCGFSZSA-N 0 0 332.400 3.581 10 0 EHAERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000246390930 1028314472 /nfs/dbraw/zinc/31/44/72/1028314472.db2.gz IUJUTMKXTGSCOS-OGWOLHLISA-N 0 0 335.403 3.693 10 0 EHAERN O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000067048558 1028355232 /nfs/dbraw/zinc/35/52/32/1028355232.db2.gz IAFRIRSRPVLHQP-QGZVFWFLSA-N 0 0 326.465 3.581 10 0 EHAERN O=C(NCc1cc(F)cc(F)c1)N1CCC(Oc2ccccc2)CC1 ZINC000193623080 1028451697 /nfs/dbraw/zinc/45/16/97/1028451697.db2.gz PNBYMMFDFWGCLM-UHFFFAOYSA-N 0 0 346.377 3.718 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)COc2c(F)cccc2F)cc1 ZINC000193669039 1028455959 /nfs/dbraw/zinc/45/59/59/1028455959.db2.gz UZVRFHNVGCKUEI-KRWDZBQOSA-N 0 0 347.361 3.716 10 0 EHAERN C[C@H](OC(=O)[C@@H]1CCCc2cccnc21)c1nc2ccccc2n1C ZINC000194532449 1028541460 /nfs/dbraw/zinc/54/14/60/1028541460.db2.gz RJDZLDCELCATLW-DZGCQCFKSA-N 0 0 335.407 3.693 10 0 EHAERN O=C([C@H]1CCCc2cccnc21)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000194892258 1028557804 /nfs/dbraw/zinc/55/78/04/1028557804.db2.gz QPTZXTFRCAMJJY-ZBFHGGJFSA-N 0 0 332.403 3.608 10 0 EHAERN Cc1csc(C2CCN([C@@H](C)C(=O)Nc3ccccc3)CC2)n1 ZINC000195320885 1028628613 /nfs/dbraw/zinc/62/86/13/1028628613.db2.gz ZAKCYAZBZXFNJE-AWEZNQCLSA-N 0 0 329.469 3.658 10 0 EHAERN Cc1csc(C2CCN(Cc3cc(F)cc4c3OCOC4)CC2)n1 ZINC000195320293 1028628645 /nfs/dbraw/zinc/62/86/45/1028628645.db2.gz NDOHVRDSVABXNQ-UHFFFAOYSA-N 0 0 348.443 3.837 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000246502809 1028638957 /nfs/dbraw/zinc/63/89/57/1028638957.db2.gz PZSAXVRASVXKHF-TZMCWYRMSA-N 0 0 343.427 3.515 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@@H](O)c3ccccc3)C2)cc1 ZINC000246516602 1028647770 /nfs/dbraw/zinc/64/77/70/1028647770.db2.gz UIHOKDHMPYSZMA-XFQXTVEOSA-N 0 0 339.435 3.523 10 0 EHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000246669974 1028675675 /nfs/dbraw/zinc/67/56/75/1028675675.db2.gz MBHPIRHSBARKRN-FYQPLNBISA-N 0 0 327.468 3.941 10 0 EHAERN C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000247124220 1028748614 /nfs/dbraw/zinc/74/86/14/1028748614.db2.gz WVLFBPGBTTTYMK-DDBAPUKQSA-N 0 0 328.456 3.737 10 0 EHAERN COc1c(C)ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1C ZINC000247214457 1028761246 /nfs/dbraw/zinc/76/12/46/1028761246.db2.gz YXIJXSZWMKBCJN-BMGDILEWSA-N 0 0 344.455 3.781 10 0 EHAERN O=C(Nc1cccc(COCC2CC2)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247292499 1028770218 /nfs/dbraw/zinc/77/02/18/1028770218.db2.gz HLIKFUXAYLDUMH-IPMKNSEASA-N 0 0 344.455 3.692 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1c[nH]cc1-c1ccc(F)cc1 ZINC000247469688 1028793273 /nfs/dbraw/zinc/79/32/73/1028793273.db2.gz QDIYRFMTWAEDDW-BMGDILEWSA-N 0 0 328.387 3.508 10 0 EHAERN O=C(Nc1ccccc1OCC1CC1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247644512 1028807697 /nfs/dbraw/zinc/80/76/97/1028807697.db2.gz VZFJMYACZWSVPB-ZMSDIMECSA-N 0 0 330.428 3.555 10 0 EHAERN CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCCCC1 ZINC000248036844 1028843708 /nfs/dbraw/zinc/84/37/08/1028843708.db2.gz JOFAZYDICWYIQR-UHFFFAOYSA-N 0 0 348.512 3.782 10 0 EHAERN C[C@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)c2ccccc2NC1=O ZINC000248591246 1028921599 /nfs/dbraw/zinc/92/15/99/1028921599.db2.gz ZPMNZKSOIUQHJT-APPDUMDISA-N 0 0 348.805 3.607 10 0 EHAERN CC(C)(C)c1csc([C@H]2CN(C[C@@H]3CCC(C)(C)O3)CCO2)n1 ZINC000248584656 1028923497 /nfs/dbraw/zinc/92/34/97/1028923497.db2.gz UYDACECJNOPMOA-UONOGXRCSA-N 0 0 338.517 3.772 10 0 EHAERN O=C1CCCN1c1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245623897 1028936996 /nfs/dbraw/zinc/93/69/96/1028936996.db2.gz QEMRREMLZGRADL-QXAKKESOSA-N 0 0 326.440 3.573 10 0 EHAERN O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCCN(c2ccccn2)CC1 ZINC000248726111 1028942378 /nfs/dbraw/zinc/94/23/78/1028942378.db2.gz KPXMXKWUKOXVOD-CEXWTWQISA-N 0 0 341.499 3.727 10 0 EHAERN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248831830 1028954561 /nfs/dbraw/zinc/95/45/61/1028954561.db2.gz IMEAZSOAXDPMGE-CKEIUWERSA-N 0 0 349.858 3.588 10 0 EHAERN CCN1c2ccc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2CCC1=O ZINC000248890373 1028959545 /nfs/dbraw/zinc/95/95/45/1028959545.db2.gz SCUJLSXTPGMUFZ-PWIZWCRZSA-N 0 0 340.467 3.745 10 0 EHAERN Cc1c(Br)scc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000249291302 1029013484 /nfs/dbraw/zinc/01/34/84/1029013484.db2.gz KVTIFJHOGUWODE-WCQGTBRESA-N 0 0 344.274 3.506 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCC(c2ccsc2)CC1 ZINC000249151717 1028994268 /nfs/dbraw/zinc/99/42/68/1028994268.db2.gz XTOYIGISXVFOTP-BBWFWOEESA-N 0 0 334.485 3.595 10 0 EHAERN C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](C)C1 ZINC000249455090 1029002525 /nfs/dbraw/zinc/00/25/25/1029002525.db2.gz PKOLPXYQEPTKFO-JYAVWHMHSA-N 0 0 330.432 3.610 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(C2SCCCS2)cc1 ZINC000251507155 1029130523 /nfs/dbraw/zinc/13/05/23/1029130523.db2.gz BYEGHFJZQKRINY-ARFHVFGLSA-N 0 0 349.521 3.853 10 0 EHAERN CC1(C)[C@H](NC(=O)C2(Cc3ccccc3Cl)CC2)[C@@H]2CCO[C@H]21 ZINC000252061386 1029174982 /nfs/dbraw/zinc/17/49/82/1029174982.db2.gz ZYLFKCQHOJRPSU-NUEKZKHPSA-N 0 0 333.859 3.592 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000078188124 1029238921 /nfs/dbraw/zinc/23/89/21/1029238921.db2.gz UYEHKUDHWXGZLR-GDBMZVCRSA-N 0 0 347.418 3.657 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3c(C)noc3C)C2)cc1 ZINC000078187804 1029240780 /nfs/dbraw/zinc/24/07/80/1029240780.db2.gz VXKDLMCQXCOKEB-CXAGYDPISA-N 0 0 342.439 3.637 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(c3nnc(C(F)(F)F)s3)C2)cc1 ZINC000154760790 1029306359 /nfs/dbraw/zinc/30/63/59/1029306359.db2.gz OKMBHTJFDGRXHS-KOLCDFICSA-N 0 0 343.374 3.948 10 0 EHAERN Cc1cc(C[S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)no1 ZINC000078711151 1029431339 /nfs/dbraw/zinc/43/13/39/1029431339.db2.gz ZCALKOJKLLLZMB-QFIPXVFZSA-N 0 0 336.800 3.740 10 0 EHAERN O=C(Oc1ccccc1Cl)C1CCN(C(=O)c2cccs2)CC1 ZINC000078947788 1029508245 /nfs/dbraw/zinc/50/82/45/1029508245.db2.gz NNKZROJZLLDJDY-UHFFFAOYSA-N 0 0 349.839 3.859 10 0 EHAERN COc1cccc([C@@H](C)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000079434556 1029643703 /nfs/dbraw/zinc/64/37/03/1029643703.db2.gz AJLVXLBYZZUVLQ-OAHLLOKOSA-N 0 0 344.480 3.666 10 0 EHAERN CC(C)C[C@@]1(CO)CCCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000588575981 1029688303 /nfs/dbraw/zinc/68/83/03/1029688303.db2.gz BINCPHGQKGYVRO-HEDKFQSOSA-N 0 0 338.451 3.648 10 0 EHAERN CCCc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000156685859 1029941832 /nfs/dbraw/zinc/94/18/32/1029941832.db2.gz LTVPTLIFLPKPOT-UHFFFAOYSA-N 0 0 340.471 3.859 10 0 EHAERN COc1ccccc1[C@H](NC(=O)N[C@@H](C)C(C)(C)C)c1ccccn1 ZINC000089697553 1029973854 /nfs/dbraw/zinc/97/38/54/1029973854.db2.gz BFYMJNQUFZZRTA-KSSFIOAISA-N 0 0 341.455 3.913 10 0 EHAERN COc1ccc([C@@H](N[C@@H](C)c2cnc(C)s2)c2nccn2C)cc1 ZINC000090401990 1030112710 /nfs/dbraw/zinc/11/27/10/1030112710.db2.gz XCELSZJAZONVLT-YVEFUNNKSA-N 0 0 342.468 3.634 10 0 EHAERN C[C@H](CCO)NC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000156967194 1030169027 /nfs/dbraw/zinc/16/90/27/1030169027.db2.gz RFNKQEWWKHKDOK-ABAIWWIYSA-N 0 0 338.860 3.561 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000246071493 1030344967 /nfs/dbraw/zinc/34/49/67/1030344967.db2.gz FFIMLFIRQMPYCA-LBTNJELSSA-N 0 0 326.444 3.761 10 0 EHAERN O=C(c1ncccc1C(F)(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000092396755 1030445297 /nfs/dbraw/zinc/44/52/97/1030445297.db2.gz GFTJSDPKQFADBU-SNVBAGLBSA-N 0 0 341.358 3.577 10 0 EHAERN C[C@H](NC(=O)N(C)C[C@H]1CCC[C@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000246379681 1030466756 /nfs/dbraw/zinc/46/67/56/1030466756.db2.gz HEYUMRBQZSAEHS-YXJHDRRASA-N 0 0 332.488 3.848 10 0 EHAERN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632523 1030692802 /nfs/dbraw/zinc/69/28/02/1030692802.db2.gz NPUSGZOJZQVUKB-UHFFFAOYSA-N 0 0 348.337 3.985 10 0 EHAERN COc1ccccc1COC1CCN(C(=O)N[C@H](C)CC2CC2)CC1 ZINC000094034648 1030708950 /nfs/dbraw/zinc/70/89/50/1030708950.db2.gz OUZMESBDXKYKOC-OAHLLOKOSA-N 0 0 346.471 3.574 10 0 EHAERN O=C(C1CCN(C(=O)C2CCCCCC2)CC1)N1CCCCCC1 ZINC000171056446 1030761742 /nfs/dbraw/zinc/76/17/42/1030761742.db2.gz VAJIPRMUIXQDSL-UHFFFAOYSA-N 0 0 334.504 3.598 10 0 EHAERN O=C(CCc1cc(F)ccc1F)N1CCC(Cc2ccccn2)CC1 ZINC000171615960 1030766365 /nfs/dbraw/zinc/76/63/65/1030766365.db2.gz ZPAFDDJGXCTMRB-UHFFFAOYSA-N 0 0 344.405 3.774 10 0 EHAERN O=C(NCc1ccc(Cl)s1)N1CCC[C@H](c2nccs2)C1 ZINC000172224616 1030873194 /nfs/dbraw/zinc/87/31/94/1030873194.db2.gz HEIBNKIHXJJENH-JTQLQIEISA-N 0 0 341.889 3.947 10 0 EHAERN COc1ccc([C@@H]2CCCCCN2C(=O)c2ncncc2Cl)cc1 ZINC000175106445 1031275710 /nfs/dbraw/zinc/27/57/10/1031275710.db2.gz NGTNEWPMFSTCJK-INIZCTEOSA-N 0 0 345.830 3.896 10 0 EHAERN CC[C@H]1CCC[C@H](NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000155992453 1031290852 /nfs/dbraw/zinc/29/08/52/1031290852.db2.gz IHSHCZSRFIRQBG-GJZGRUSLSA-N 0 0 332.492 3.580 10 0 EHAERN C[C@@]1(C(=O)N2CCC(OCC3CCCC3)CC2)CC1(Cl)Cl ZINC000175600139 1031349413 /nfs/dbraw/zinc/34/94/13/1031349413.db2.gz MIIGFARWNLMECF-HNNXBMFYSA-N 0 0 334.287 3.768 10 0 EHAERN CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000175842840 1031388222 /nfs/dbraw/zinc/38/82/22/1031388222.db2.gz QXJQWBMSSBUGEF-BSDSXHPESA-N 0 0 348.512 3.880 10 0 EHAERN O=C(Nc1cccc(Oc2ccccn2)c1)[C@@H]1CCCn2ccnc21 ZINC000176491589 1031445453 /nfs/dbraw/zinc/44/54/53/1031445453.db2.gz LBYYOWATSLKWMK-MRXNPFEDSA-N 0 0 334.379 3.587 10 0 EHAERN C/C(=C\C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)c1cccc(F)c1 ZINC000176703025 1031450623 /nfs/dbraw/zinc/45/06/23/1031450623.db2.gz MVHKVIUCICXVNC-QSOAKEGCSA-N 0 0 342.418 3.595 10 0 EHAERN O=c1cc(N2CCC[C@H]2c2cccc(Cl)c2)nc2ccccn12 ZINC000176804151 1031490527 /nfs/dbraw/zinc/49/05/27/1031490527.db2.gz NLEOONARFUKHIQ-HNNXBMFYSA-N 0 0 325.799 3.689 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4c(c3)CCCO4)CCO2)o1 ZINC000179398412 1031746424 /nfs/dbraw/zinc/74/64/24/1031746424.db2.gz ZUBXKIJGFNVXBT-GOSISDBHSA-N 0 0 342.395 3.518 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4ncsc4c3)CCO2)o1 ZINC000179386820 1031747329 /nfs/dbraw/zinc/74/73/29/1031747329.db2.gz HYZGOYZECJIKEA-HNNXBMFYSA-N 0 0 343.408 3.803 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117576525 1031756655 /nfs/dbraw/zinc/75/66/55/1031756655.db2.gz SMOJFTFUVHTFMI-HWPZZCPQSA-N 0 0 345.782 3.630 10 0 EHAERN Cc1noc(C)c1[C@H](C)CNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179478606 1031777854 /nfs/dbraw/zinc/77/78/54/1031777854.db2.gz KYAJTJSARTXIPR-LLVKDONJSA-N 0 0 339.399 3.607 10 0 EHAERN COc1cccc(CCCNC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000117647124 1031787008 /nfs/dbraw/zinc/78/70/08/1031787008.db2.gz CBYGVYPSWNGFEJ-QGZVFWFLSA-N 0 0 339.435 3.700 10 0 EHAERN Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cccc1N(C)C ZINC000180116928 1031801132 /nfs/dbraw/zinc/80/11/32/1031801132.db2.gz BPEHFGGKLLMVRQ-AEFFLSMTSA-N 0 0 341.459 3.563 10 0 EHAERN O=C(c1ccc(Cl)c(F)c1)N1CCC(Cc2ccccn2)CC1 ZINC000179756456 1031807391 /nfs/dbraw/zinc/80/73/91/1031807391.db2.gz NDSXWIFGOREODE-UHFFFAOYSA-N 0 0 332.806 3.969 10 0 EHAERN Cc1cc(NC(=O)Nc2cn(C)nc2C)nn1-c1cccc(Cl)c1 ZINC000180367012 1031842236 /nfs/dbraw/zinc/84/22/36/1031842236.db2.gz KJOWGHOHURQOGO-UHFFFAOYSA-N 0 0 344.806 3.520 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000117745346 1031844146 /nfs/dbraw/zinc/84/41/46/1031844146.db2.gz VCVDIGZBSZICQH-KPZWWZAWSA-N 0 0 338.432 3.819 10 0 EHAERN COc1cc(CN[C@H](c2cccc(F)c2)c2ccccn2)ccc1O ZINC000180169527 1031864290 /nfs/dbraw/zinc/86/42/90/1031864290.db2.gz YOPHKNVXMPUHHY-HXUWFJFHSA-N 0 0 338.382 3.814 10 0 EHAERN O=C([C@@H]1C[C@@]12CCOc1ccccc12)N1CCC(=O)Nc2ccccc21 ZINC000329703752 1031870526 /nfs/dbraw/zinc/87/05/26/1031870526.db2.gz ILJPQAAQGDUMSM-YCRPNKLZSA-N 0 0 348.402 3.752 10 0 EHAERN O=C([C@H]1C[C@]12CCOc1ccccc12)N1CCC(=O)Nc2ccccc21 ZINC000329703672 1031870875 /nfs/dbraw/zinc/87/08/75/1031870875.db2.gz ILJPQAAQGDUMSM-VFNWGFHPSA-N 0 0 348.402 3.752 10 0 EHAERN CSc1ccc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1 ZINC000180848551 1031912888 /nfs/dbraw/zinc/91/28/88/1031912888.db2.gz ZHZTZAUEUQTYTN-UHFFFAOYSA-N 0 0 342.464 3.796 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000159255326 1031980111 /nfs/dbraw/zinc/98/01/11/1031980111.db2.gz SMCQUWVYXRYXLJ-RBUKOAKNSA-N 0 0 325.408 3.682 10 0 EHAERN Cc1nnc(-c2cccc(NC(=O)c3c(C)cc(C)nc3Cl)c2)o1 ZINC000182077069 1032056555 /nfs/dbraw/zinc/05/65/55/1032056555.db2.gz WBBLLUQZFYIEDI-UHFFFAOYSA-N 0 0 342.786 3.963 10 0 EHAERN COCc1ccsc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000182063059 1032057300 /nfs/dbraw/zinc/05/73/00/1032057300.db2.gz CIVVMPDQLFFZSF-BBRMVZONSA-N 0 0 345.464 3.921 10 0 EHAERN O=C(N[C@@H]1CCSc2ccccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000158760190 1033299028 /nfs/dbraw/zinc/29/90/28/1033299028.db2.gz GGTCQJDRIPEUHO-OGWOLHLISA-N 0 0 346.496 3.560 10 0 EHAERN C/C=C\c1ccc(OC(=O)[C@@H](C)N(C)CC(F)(F)F)c(OC)c1 ZINC000588616806 1033412617 /nfs/dbraw/zinc/41/26/17/1033412617.db2.gz WAMVCNNRAKEKPM-ISALQUGTSA-N 0 0 331.334 3.516 10 0 EHAERN CCc1onc(C)c1C(=O)NCC1(c2ccccc2OC)CCCC1 ZINC000105370279 1033468331 /nfs/dbraw/zinc/46/83/31/1033468331.db2.gz PENATGMTQHOUAB-UHFFFAOYSA-N 0 0 342.439 3.796 10 0 EHAERN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525420 1033740712 /nfs/dbraw/zinc/74/07/12/1033740712.db2.gz HAUGOZOIBVHQIW-NSHDSACASA-N 0 0 343.770 3.796 10 0 EHAERN Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000101526234 1033747907 /nfs/dbraw/zinc/74/79/07/1033747907.db2.gz LUUQEVVZAMQKEQ-UHFFFAOYSA-N 0 0 349.390 3.955 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@H](O)c3ccccc3)C2)cc1 ZINC000089246773 1034276006 /nfs/dbraw/zinc/27/60/06/1034276006.db2.gz UIHOKDHMPYSZMA-ZTNFWEORSA-N 0 0 339.435 3.523 10 0 EHAERN O=C(CCc1ccc(F)cc1F)Nc1cccc(-c2ncon2)c1 ZINC000121492668 1034974403 /nfs/dbraw/zinc/97/44/03/1034974403.db2.gz MBGRNDPPWVGKHM-UHFFFAOYSA-N 0 0 329.306 3.586 10 0 EHAERN COCCC(C)(C)CNC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000186123119 1035584917 /nfs/dbraw/zinc/58/49/17/1035584917.db2.gz WOBZAPXCLQODEJ-NVXWUHKLSA-N 0 0 348.487 3.645 10 0 EHAERN C[C@H](C(=O)N1CCCN(c2ccccn2)CC1)c1ccc(Cl)s1 ZINC000186409446 1035629044 /nfs/dbraw/zinc/62/90/44/1035629044.db2.gz RHTCINAIDWQYQY-ZDUSSCGKSA-N 0 0 349.887 3.639 10 0 EHAERN CCO[C@H]1C[C@@H](Nc2ccccc2-n2ccc(C)n2)C12CCOCC2 ZINC000186470347 1035640288 /nfs/dbraw/zinc/64/02/88/1035640288.db2.gz QUONUSLHPNMLFX-MOPGFXCFSA-N 0 0 341.455 3.567 10 0 EHAERN C[C@H](c1cccs1)N(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186631421 1035675912 /nfs/dbraw/zinc/67/59/12/1035675912.db2.gz JAGUGKCYTFMJLM-LLVKDONJSA-N 0 0 344.440 3.950 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(C)c(F)c2)cs1 ZINC000186890850 1035736606 /nfs/dbraw/zinc/73/66/06/1035736606.db2.gz UJFFNTFKJJSKDR-INIZCTEOSA-N 0 0 333.432 3.946 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)C(=O)N[C@@H](C)C(C)(C)C)cs1 ZINC000187569193 1035842510 /nfs/dbraw/zinc/84/25/10/1035842510.db2.gz BXZFSHOGRPXIHF-LBPRGKRZSA-N 0 0 345.468 3.608 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H]1CC1CCCCC1 ZINC000187678606 1035873502 /nfs/dbraw/zinc/87/35/02/1035873502.db2.gz DOLASALKKRDKEI-KRWDZBQOSA-N 0 0 326.440 3.756 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H](c2ccccc2)CC1 ZINC000188429094 1035936287 /nfs/dbraw/zinc/93/62/87/1035936287.db2.gz HKIUTRVCGISJGC-INIZCTEOSA-N 0 0 334.419 3.591 10 0 EHAERN C[C@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000188917061 1035984410 /nfs/dbraw/zinc/98/44/10/1035984410.db2.gz PLEYQHPWNSEEGD-HOCLYGCPSA-N 0 0 348.512 3.685 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000332716730 1036002831 /nfs/dbraw/zinc/00/28/31/1036002831.db2.gz SEDQHUDTUDEXRF-SJLPKXTDSA-N 0 0 338.455 3.800 10 0 EHAERN COc1ccc(CN[C@H]2CCOc3c(C)cccc32)c(OC)c1OC ZINC000188948010 1036018737 /nfs/dbraw/zinc/01/87/37/1036018737.db2.gz QSHKOVLLNLTUHI-INIZCTEOSA-N 0 0 343.423 3.634 10 0 EHAERN CCN(Cc1ncc(-c2ccccc2Cl)o1)C[C@H](O)C(F)(F)F ZINC000189437438 1036076551 /nfs/dbraw/zinc/07/65/51/1036076551.db2.gz JIKLMPYFSBBTKF-ZDUSSCGKSA-N 0 0 348.752 3.740 10 0 EHAERN NC(=O)c1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1F ZINC000102629912 1036079906 /nfs/dbraw/zinc/07/99/06/1036079906.db2.gz VQVVSVZIRZYEPD-UHFFFAOYSA-N 0 0 348.377 3.768 10 0 EHAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189641638 1036102865 /nfs/dbraw/zinc/10/28/65/1036102865.db2.gz FDBCUPLWDJLFQA-WWGRRREGSA-N 0 0 335.394 3.676 10 0 EHAERN Cc1ccc(F)c(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189816797 1036149888 /nfs/dbraw/zinc/14/98/88/1036149888.db2.gz UMESCPMBDHIADK-UHFFFAOYSA-N 0 0 325.383 3.843 10 0 EHAERN O=C(c1cc2ccccn2c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189830025 1036154012 /nfs/dbraw/zinc/15/40/12/1036154012.db2.gz NVCRDLMZNSPISM-UHFFFAOYSA-N 0 0 332.403 3.648 10 0 EHAERN CCC1CCC(NC(=O)N2CCOC[C@@H]2c2nc(C)cs2)CC1 ZINC000190084076 1036176327 /nfs/dbraw/zinc/17/63/27/1036176327.db2.gz CEOKXYDSBOXSSZ-YMAMQOFZSA-N 0 0 337.489 3.503 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)CCO1 ZINC000190266916 1036213614 /nfs/dbraw/zinc/21/36/14/1036213614.db2.gz COZPKTIUFCFXOI-IJEWVQPXSA-N 0 0 337.410 3.876 10 0 EHAERN Cc1noc(Cl)c1CCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190366677 1036230351 /nfs/dbraw/zinc/23/03/51/1036230351.db2.gz MSNKZOBHFIADFL-AAEUAGOBSA-N 0 0 339.823 3.723 10 0 EHAERN O=C(c1ccc(F)cc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190376594 1036231646 /nfs/dbraw/zinc/23/16/46/1036231646.db2.gz FSTHQIDFUUGHSR-UHFFFAOYSA-N 0 0 339.823 3.652 10 0 EHAERN CCOc1cc(C(=O)N2CCC(Nc3nccs3)CC2)ccc1C ZINC000190402746 1036235535 /nfs/dbraw/zinc/23/55/35/1036235535.db2.gz IZCLCSLHGFJYLQ-UHFFFAOYSA-N 0 0 345.468 3.567 10 0 EHAERN Cc1nc(CCCC(=O)N[C@H]2CCOc3c(C)cccc32)cs1 ZINC000190624017 1036266583 /nfs/dbraw/zinc/26/65/83/1036266583.db2.gz BNYOFCRYNCHRHM-INIZCTEOSA-N 0 0 330.453 3.723 10 0 EHAERN CC(C)(C)n1cc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cn1 ZINC000191211667 1036351324 /nfs/dbraw/zinc/35/13/24/1036351324.db2.gz VQNYCKITAMWHGW-CYBMUJFWSA-N 0 0 347.409 3.936 10 0 EHAERN Cn1cc(C2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cn1 ZINC000332873776 1036368389 /nfs/dbraw/zinc/36/83/89/1036368389.db2.gz UUUSTGXOVUQOPQ-HHXXYDBFSA-N 0 0 344.503 3.668 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H]1CN(Cc1cncs1)C1CC1 ZINC000191734213 1036423456 /nfs/dbraw/zinc/42/34/56/1036423456.db2.gz XZALTUOZYSKTDV-AWEZNQCLSA-N 0 0 337.489 3.507 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000332898608 1036501731 /nfs/dbraw/zinc/50/17/31/1036501731.db2.gz KXMREQXHUHWWCD-SJLPKXTDSA-N 0 0 338.455 3.553 10 0 EHAERN Cc1cc(Br)c(NC(=O)N[C@@H]2CCO[C@@H]2C)cc1Cl ZINC000162501502 1036672353 /nfs/dbraw/zinc/67/23/53/1036672353.db2.gz UUWLZWMHBCVJDO-LDYMZIIASA-N 0 0 347.640 3.710 10 0 EHAERN CCCN(C(=O)c1ccc(C)nc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000102608525 1036748169 /nfs/dbraw/zinc/74/81/69/1036748169.db2.gz ZXLHNUOOZKGFPP-MRXNPFEDSA-N 0 0 339.439 3.578 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000133041020 1036919849 /nfs/dbraw/zinc/91/98/49/1036919849.db2.gz LZYXLMCJCLRULA-JXQTWKCFSA-N 0 0 348.409 3.899 10 0 EHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248929071 1037043380 /nfs/dbraw/zinc/04/33/80/1037043380.db2.gz XOLOPVSXTSTLEY-BHYGNILZSA-N 0 0 346.471 3.858 10 0 EHAERN Cc1cc(NC(=O)N[C@H](C)c2cccc(Cl)c2)ccc1C(N)=O ZINC000105344632 1037176776 /nfs/dbraw/zinc/17/67/76/1037176776.db2.gz FABQLFFBKFJLLU-LLVKDONJSA-N 0 0 331.803 3.630 10 0 EHAERN COc1ccc(C)c2c1N(Cc1nc(-c3ccoc3)no1)CCC2 ZINC000105614449 1037204689 /nfs/dbraw/zinc/20/46/89/1037204689.db2.gz FMAXJBBUWPPEAN-UHFFFAOYSA-N 0 0 325.368 3.599 10 0 EHAERN COc1ccsc1C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000105961575 1037267106 /nfs/dbraw/zinc/26/71/06/1037267106.db2.gz FVUCCXBTNKPMSC-UHFFFAOYSA-N 0 0 347.421 3.536 10 0 EHAERN CCCCOCCCNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103179443 1037588477 /nfs/dbraw/zinc/58/84/77/1037588477.db2.gz XVUJIDLRGRCJNR-LJQANCHMSA-N 0 0 341.455 3.677 10 0 EHAERN Cc1cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)ccc1F ZINC000103100412 1037589784 /nfs/dbraw/zinc/58/97/84/1037589784.db2.gz WXZAFXDGWAKXJL-HNNXBMFYSA-N 0 0 330.384 3.576 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@@H]1CCCc2occc21 ZINC000103853138 1037592493 /nfs/dbraw/zinc/59/24/93/1037592493.db2.gz LCLXDJQCLAZHJP-MRXNPFEDSA-N 0 0 328.412 3.550 10 0 EHAERN CC[C@H](CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)C(C)C ZINC000104337326 1037595437 /nfs/dbraw/zinc/59/54/37/1037595437.db2.gz ORGRRMGBPJRMEM-MRXNPFEDSA-N 0 0 336.520 3.746 10 0 EHAERN Cc1nnc([C@@H](NC(=O)N[C@@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000105067546 1037597848 /nfs/dbraw/zinc/59/78/48/1037597848.db2.gz ROWJIGITMFRHQO-KSSFIOAISA-N 0 0 349.438 3.571 10 0 EHAERN Cc1cccc(-c2noc(C[S@@](=O)CCc3ccccc3)n2)c1 ZINC000105689782 1037602817 /nfs/dbraw/zinc/60/28/17/1037602817.db2.gz OYLDJVFQNSDJNR-HSZRJFAPSA-N 0 0 326.421 3.536 10 0 EHAERN O=C1Nc2ccccc2[C@H]1Cc1nc(Cc2ccc(Cl)cc2)no1 ZINC000109613273 1037675540 /nfs/dbraw/zinc/67/55/40/1037675540.db2.gz HUWBPKGRUBGCIL-CQSZACIVSA-N 0 0 339.782 3.592 10 0 EHAERN Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)CC3CC3)co2)cc1 ZINC000112747846 1037769148 /nfs/dbraw/zinc/76/91/48/1037769148.db2.gz HWRSWXURDYXQOW-CQSZACIVSA-N 0 0 327.428 3.680 10 0 EHAERN COc1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc(OC)c1 ZINC000114805080 1037809894 /nfs/dbraw/zinc/80/98/94/1037809894.db2.gz BQZUQODEYGRZQF-LBPRGKRZSA-N 0 0 347.440 3.572 10 0 EHAERN O=C(NCc1cc(F)ccc1F)N1CCC[C@H](c2nccs2)C1 ZINC000114829820 1037811714 /nfs/dbraw/zinc/81/17/14/1037811714.db2.gz TXCKPTXFRYTUJL-NSHDSACASA-N 0 0 337.395 3.511 10 0 EHAERN Cc1cc(C)cc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000116996902 1037844522 /nfs/dbraw/zinc/84/45/22/1037844522.db2.gz LMNCHLJSUKLKJB-UHFFFAOYSA-N 0 0 338.455 3.797 10 0 EHAERN CCOC(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1 ZINC000117611211 1037854931 /nfs/dbraw/zinc/85/49/31/1037854931.db2.gz SBKUSJKNNNCWJF-PXAZEXFGSA-N 0 0 340.379 3.758 10 0 EHAERN CCOc1cc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)ccc1OC ZINC000117616913 1037858631 /nfs/dbraw/zinc/85/86/31/1037858631.db2.gz XUIULIVWWLXAQS-KPZWWZAWSA-N 0 0 327.380 3.597 10 0 EHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000119467267 1037901952 /nfs/dbraw/zinc/90/19/52/1037901952.db2.gz GMNRWHZATVYOTA-KBAYOESNSA-N 0 0 342.487 3.535 10 0 EHAERN C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1nccs1 ZINC000106343913 1038020683 /nfs/dbraw/zinc/02/06/83/1038020683.db2.gz QYFJHLTXTMCREX-HIFRSBDPSA-N 0 0 330.457 3.926 10 0 EHAERN O=C(NCCc1ccc(Cl)nc1)N1CC=C(c2ccccc2)CC1 ZINC000123739391 1038064861 /nfs/dbraw/zinc/06/48/61/1038064861.db2.gz XCGTZPOLHATUAN-UHFFFAOYSA-N 0 0 341.842 3.776 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@@H]1c1ncon1 ZINC000123860686 1038092667 /nfs/dbraw/zinc/09/26/67/1038092667.db2.gz DWBNCDJGOILPMU-GFCCVEGCSA-N 0 0 346.437 3.622 10 0 EHAERN CC(C)(C)[C@@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1cccc(F)c1 ZINC000123934908 1038106358 /nfs/dbraw/zinc/10/63/58/1038106358.db2.gz JPJGSAXLLJHVPH-LPHOPBHVSA-N 0 0 334.435 3.735 10 0 EHAERN CCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000043402784 1038319179 /nfs/dbraw/zinc/31/91/79/1038319179.db2.gz JZCGZIVQSKBLLP-MRXNPFEDSA-N 0 0 349.438 3.703 10 0 EHAERN CN(C(=O)NCc1cc(F)cc2c1OCOC2)C1CCCCCC1 ZINC000170698258 1038786384 /nfs/dbraw/zinc/78/63/84/1038786384.db2.gz QOFXXHPPUWWVPI-UHFFFAOYSA-N 0 0 336.407 3.556 10 0 EHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000156464078 1038884269 /nfs/dbraw/zinc/88/42/69/1038884269.db2.gz OMVWKFFFQCMJQE-BLLLJJGKSA-N 0 0 349.862 3.838 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2CC)C1 ZINC000332894640 1040177967 /nfs/dbraw/zinc/17/79/67/1040177967.db2.gz IPAJOYVNIYDCTO-ZACQAIPSSA-N 0 0 332.492 3.761 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000332930862 1040205741 /nfs/dbraw/zinc/20/57/41/1040205741.db2.gz DLXXONOZOLRUPI-BTFPBAQTSA-N 0 0 348.409 3.612 10 0 EHAERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000332941736 1040215078 /nfs/dbraw/zinc/21/50/78/1040215078.db2.gz WNXIEMMJEACIPD-NEPJUHHUSA-N 0 0 330.350 3.786 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1nnc2ccccn21 ZINC000245739067 1040507096 /nfs/dbraw/zinc/50/70/96/1040507096.db2.gz UNHPSNSMQGQXFJ-ZJIFWQFVSA-N 0 0 326.444 3.513 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000333181414 1041414984 /nfs/dbraw/zinc/41/49/84/1041414984.db2.gz LXBCQDJPFFUCNL-XJKCOSOUSA-N 0 0 327.428 3.786 10 0 EHAERN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C=O)cc1 ZINC000111127002 1041542132 /nfs/dbraw/zinc/54/21/32/1041542132.db2.gz PULUNCUKJGSPPC-FZKQIMNGSA-N 0 0 343.810 3.755 10 0 EHAERN CC1CCC(CC(=O)N2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000408173625 1042109198 /nfs/dbraw/zinc/10/91/98/1042109198.db2.gz MJKXJAJEICHTGT-UHFFFAOYSA-N 0 0 340.471 3.652 10 0 EHAERN CCc1nnc(-c2ccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)cc2)o1 ZINC000330258593 1042647446 /nfs/dbraw/zinc/64/74/46/1042647446.db2.gz RLRVULNBPHLIEN-SWLSCSKDSA-N 0 0 326.400 3.705 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2cc(F)ccc2F)c2ccccc2)[nH]1 ZINC000162486094 1042734595 /nfs/dbraw/zinc/73/45/95/1042734595.db2.gz QFTCZILGYKQSAI-PIGZYNQJSA-N 0 0 328.366 3.832 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000162622523 1042740389 /nfs/dbraw/zinc/74/03/89/1042740389.db2.gz FAHMAHZDSOXING-VOTSOKGWSA-N 0 0 349.434 3.661 10 0 EHAERN CO[C@@]1(C)C[C@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C1(C)C ZINC000408251388 1042862133 /nfs/dbraw/zinc/86/21/33/1042862133.db2.gz AJYOGPLOJWAOCJ-UFDFEIGVSA-N 0 0 336.398 3.610 10 0 EHAERN O=C(NCc1cc(F)cc2c1OCOC2)N1CCC2(C1)CCCCC2 ZINC000408252306 1042867051 /nfs/dbraw/zinc/86/70/51/1042867051.db2.gz PAQYOOVJCAJIJV-UHFFFAOYSA-N 0 0 348.418 3.558 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1ccc3[nH]ccc3c1)CCCC2 ZINC000279152264 1043463904 /nfs/dbraw/zinc/46/39/04/1043463904.db2.gz HLXXCHIREXTBJJ-LJQANCHMSA-N 0 0 348.450 3.758 10 0 EHAERN CC(C)(C)c1cnc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000408349263 1043524513 /nfs/dbraw/zinc/52/45/13/1043524513.db2.gz OCIASBFYKDGMEG-PXAZEXFGSA-N 0 0 337.489 3.600 10 0 EHAERN O=C(c1ccc(Br)cn1)N1CC=C(c2ccccc2)CC1 ZINC000061873462 1043976668 /nfs/dbraw/zinc/97/66/68/1043976668.db2.gz FNSREEQQEUNVQC-UHFFFAOYSA-N 0 0 343.224 3.774 10 0 EHAERN CN(C[C@@H]1CCCO1)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000102903965 1127780434 /nfs/dbraw/zinc/78/04/34/1127780434.db2.gz UNZHKGWITLCRTP-IBGZPJMESA-N 0 0 340.423 3.799 10 0 EHAERN CSc1ccccc1[C@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000282221768 1128100861 /nfs/dbraw/zinc/10/08/61/1128100861.db2.gz MXZOGIVKAFSQTG-QMTMVMCOSA-N 0 0 348.512 3.806 10 0 EHAERN O=C(C/C=C\c1ccc(F)cc1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000588490032 1129463303 /nfs/dbraw/zinc/46/33/03/1129463303.db2.gz WQTGGPMLEOYFPU-YOXWTLATSA-N 0 0 337.394 3.887 10 0 EHAERN Cc1cc([C@H]2CCCN(C(=O)N[C@@H]3CCc4cc(C)ccc43)C2)[nH]n1 ZINC000282555496 1131091523 /nfs/dbraw/zinc/09/15/23/1131091523.db2.gz XNPZNTHVAVTNFU-FUHWJXTLSA-N 0 0 338.455 3.603 10 0 EHAERN O=C(N[C@@H]1CCCc2sccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000282656111 1131135111 /nfs/dbraw/zinc/13/51/11/1131135111.db2.gz PNLJEVLIMGWUSG-HZMVEIRTSA-N 0 0 348.512 3.851 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)Nc1cc(Cl)ccc1C(N)=O ZINC000102987406 1132573987 /nfs/dbraw/zinc/57/39/87/1132573987.db2.gz QXZNUVWENNKTEX-LLVKDONJSA-N 0 0 346.814 3.580 10 0 EHAERN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCCc1cccnc1 ZINC000105558128 1135953656 /nfs/dbraw/zinc/95/36/56/1135953656.db2.gz RRCPPVSDZUBTGD-LBPRGKRZSA-N 0 0 339.313 3.654 10 0 EHAERN CC[C@H](COC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1 ZINC000105775147 1135976261 /nfs/dbraw/zinc/97/62/61/1135976261.db2.gz XPPXYTBJFWEZBG-CQSZACIVSA-N 0 0 340.379 3.999 10 0 EHAERN CCN(C(=O)NCCc1coc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000102567373 1137873338 /nfs/dbraw/zinc/87/33/38/1137873338.db2.gz UYLCLCVQEWFREE-UHFFFAOYSA-N 0 0 345.418 3.997 10 0 EHAERN CN(C)[C@H](CNC(=O)N(Cc1ccco1)C1CCCC1)c1ccco1 ZINC000105077588 1137880145 /nfs/dbraw/zinc/88/01/45/1137880145.db2.gz FFEQHMJAEYAOGR-QGZVFWFLSA-N 0 0 345.443 3.630 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000105176765 1137880387 /nfs/dbraw/zinc/88/03/87/1137880387.db2.gz WQQGMNHDTJUQTA-INIZCTEOSA-N 0 0 343.446 3.816 10 0 EHAERN Cc1c(-c2nc(C(C)(C)C3CCC3)no2)cnn1C1CCOCC1 ZINC000333043956 1137953704 /nfs/dbraw/zinc/95/37/04/1137953704.db2.gz AXPJPXBXKSWNCF-UHFFFAOYSA-N 0 0 330.432 3.671 10 0 EHAERN COc1cnc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)nc1 ZINC000333176845 1137957287 /nfs/dbraw/zinc/95/72/87/1137957287.db2.gz KSRXLJXELTYQDB-QGZVFWFLSA-N 0 0 338.411 3.559 10 0 EHAERN Cn1nccc1[C@@H]1OCCC[C@H]1c1nc(C(C)(C)C2CCC2)no1 ZINC000333275906 1138273459 /nfs/dbraw/zinc/27/34/59/1138273459.db2.gz WXDRVLCUUOKQDC-UKRRQHHQSA-N 0 0 330.432 3.516 10 0 EHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cc1 ZINC000333364533 1138281269 /nfs/dbraw/zinc/28/12/69/1138281269.db2.gz VBIFSSLHJDTZFR-QGPMSJSTSA-N 0 0 341.455 3.717 10 0 EHAERN O=C(C1CCCCC1)N1CC(c2nc(CC3=CCCCC3)no2)C1 ZINC000333825571 1138335761 /nfs/dbraw/zinc/33/57/61/1138335761.db2.gz KOFVKIQRVIRCJD-UHFFFAOYSA-N 0 0 329.444 3.619 10 0 EHAERN COc1cc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc(OC)c1 ZINC000186891822 1140227224 /nfs/dbraw/zinc/22/72/24/1140227224.db2.gz ZJTZMIJYEGQDBD-INIZCTEOSA-N 0 0 347.440 3.838 10 0 EHAERN CC(=O)Nc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C ZINC000190032457 1140381482 /nfs/dbraw/zinc/38/14/82/1140381482.db2.gz ZEKTZTUZHABUDT-UHFFFAOYSA-N 0 0 326.440 3.508 10 0 EHAERN Cc1ccc(Cl)cc1NC(=O)c1cc(Br)cnc1N ZINC000050693455 214067253 /nfs/dbraw/zinc/06/72/53/214067253.db2.gz RGMZVJFUXODDAB-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN CNc1ncc(C(=O)Nc2cccc(Br)c2)cc1Cl ZINC000050728511 214067883 /nfs/dbraw/zinc/06/78/83/214067883.db2.gz LYZNZTSZVXKUMY-UHFFFAOYSA-N 0 0 340.608 3.792 10 0 EHAERN CCCNc1ncc(Br)cc1C(=O)N(C)[C@H](C)CC ZINC000050746820 214068425 /nfs/dbraw/zinc/06/84/25/214068425.db2.gz YPOMVQYIYJUPMC-SNVBAGLBSA-N 0 0 328.254 3.537 10 0 EHAERN C[C@H](CNCC(F)(F)F)Oc1ccc(F)cc1Br ZINC000053564209 214189051 /nfs/dbraw/zinc/18/90/51/214189051.db2.gz WCFOZRMSVZLARM-SSDOTTSWSA-N 0 0 330.119 3.507 10 0 EHAERN CCCC(=O)N1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000054857850 214258487 /nfs/dbraw/zinc/25/84/87/214258487.db2.gz XGLZAUJCPSQRAZ-UHFFFAOYSA-N 0 0 343.254 3.971 10 0 EHAERN Cc1sc2[nH]c(C[C@H]3CCCO3)nc(=O)c2c1-c1ccccc1 ZINC000055502058 214327495 /nfs/dbraw/zinc/32/74/95/214327495.db2.gz LBIWLSVKMVACKL-CYBMUJFWSA-N 0 0 326.421 3.682 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000056860099 214392172 /nfs/dbraw/zinc/39/21/72/214392172.db2.gz BOJCUXBPEPKFRS-GOSISDBHSA-N 0 0 330.378 3.836 10 0 EHAERN O=C(/C=C\c1ccco1)Nc1ccc2c(c1)ncnc2N1CCCCC1 ZINC000098063622 219075662 /nfs/dbraw/zinc/07/56/62/219075662.db2.gz OCFODOADVJKUBQ-CLFYSBASSA-N 0 0 348.406 3.865 10 0 EHAERN CN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC1=S ZINC000101428965 219126317 /nfs/dbraw/zinc/12/63/17/219126317.db2.gz ISKAUZXMBMCTFI-GXDHUFHOSA-N 0 0 346.496 3.675 10 0 EHAERN COC(=O)[C@@]1(Nc2cccc(Br)c2)CCC[C@H](C)C1 ZINC000104178306 219355449 /nfs/dbraw/zinc/35/54/49/219355449.db2.gz DMIPETKKLKTYLZ-XHDPSFHLSA-N 0 0 326.234 3.983 10 0 EHAERN Cc1ccnc(Sc2ccc([C@H](C)O)cc2Br)n1 ZINC000104284042 219369937 /nfs/dbraw/zinc/36/99/37/219369937.db2.gz XQEBPPXWJFNWMA-VIFPVBQESA-N 0 0 325.231 3.752 10 0 EHAERN COC(=O)c1ccccc1NC(=O)CCCOc1cc(C)ccc1C ZINC000040865562 213394769 /nfs/dbraw/zinc/39/47/69/213394769.db2.gz GYXINWDAGQWQNT-UHFFFAOYSA-N 0 0 341.407 3.888 10 0 EHAERN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccc(C)cc1 ZINC000040868398 213396185 /nfs/dbraw/zinc/39/61/85/213396185.db2.gz LNZWXKSCNDKEGS-REVVXPLQSA-N 0 0 339.347 3.870 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)nc1 ZINC000040798855 213388257 /nfs/dbraw/zinc/38/82/57/213388257.db2.gz UCGVZOSCHINQIE-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1Nc1nccs1 ZINC000040780837 213385765 /nfs/dbraw/zinc/38/57/65/213385765.db2.gz ZBRRSNBCIQHERZ-UHFFFAOYSA-N 0 0 332.820 3.524 10 0 EHAERN CC(=O)Nc1ccc(Nc2ncnc(Oc3ccc(C)cc3)c2N)cc1 ZINC000040796247 213386726 /nfs/dbraw/zinc/38/67/26/213386726.db2.gz DQURRHXGDPCOQI-UHFFFAOYSA-N 0 0 349.394 3.862 10 0 EHAERN Cc1nc(Nc2ncnc(Nc3ccccc3F)c2N)sc1C ZINC000040759182 213382660 /nfs/dbraw/zinc/38/26/60/213382660.db2.gz VKRDOEBSHXZKTI-UHFFFAOYSA-N 0 0 330.392 3.758 10 0 EHAERN COc1ccc(Nc2ncnc(Oc3ccccc3)c2N)c(OC)c1 ZINC000040754579 213381897 /nfs/dbraw/zinc/38/18/97/213381897.db2.gz NSBNJBKQOGTGPA-UHFFFAOYSA-N 0 0 338.367 3.612 10 0 EHAERN CCCNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040707920 213371888 /nfs/dbraw/zinc/37/18/88/213371888.db2.gz DPRWPBQMUGZURN-UHFFFAOYSA-N 0 0 327.310 3.523 10 0 EHAERN CC(C)Nc1ncnc(Nc2ccc(Br)cc2F)c1N ZINC000040708284 213371426 /nfs/dbraw/zinc/37/14/26/213371426.db2.gz ILSSXNNLGMGRJS-UHFFFAOYSA-N 0 0 340.200 3.524 10 0 EHAERN CCN(c1ccccc1)c1ncnc(Nc2ccccc2OC)c1N ZINC000040679628 213368049 /nfs/dbraw/zinc/36/80/49/213368049.db2.gz JDVIARCLQKNZNA-UHFFFAOYSA-N 0 0 335.411 3.969 10 0 EHAERN Cc1cccc(OCc2nc3ccccc3n2CC(=O)N2CCCC2)c1 ZINC000040234261 213283545 /nfs/dbraw/zinc/28/35/45/213283545.db2.gz PBPMINXOEDDVAJ-UHFFFAOYSA-N 0 0 349.434 3.546 10 0 EHAERN COC(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040238018 213283935 /nfs/dbraw/zinc/28/39/35/213283935.db2.gz MEDGQGKZIGWYQD-UHFFFAOYSA-N 0 0 346.386 3.942 10 0 EHAERN CC[C@@H](C)c1ccc(OC[C@H](O)COCC(F)(F)C(F)F)cc1 ZINC000038877103 213230046 /nfs/dbraw/zinc/23/00/46/213230046.db2.gz CJBQJVABOFLHNY-DGCLKSJQSA-N 0 0 338.341 3.857 10 0 EHAERN O=C(Nc1nc2ncc(Br)cc2s1)c1ccccc1 ZINC000038260237 213206151 /nfs/dbraw/zinc/20/61/51/213206151.db2.gz XGQCZVKVIFYLAD-UHFFFAOYSA-N 0 0 334.198 3.706 10 0 EHAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1N ZINC000038001347 213186551 /nfs/dbraw/zinc/18/65/51/213186551.db2.gz OOLQGKGRWVMXRK-SECBINFHSA-N 0 0 325.195 3.982 10 0 EHAERN Cc1cc(N)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000038001342 213186178 /nfs/dbraw/zinc/18/61/78/213186178.db2.gz SQAQGJLVHIVDGP-UHFFFAOYSA-N 0 0 325.195 3.902 10 0 EHAERN O=C(CSCc1ccc(Cl)s1)Nc1cccc(CO)c1 ZINC000037975965 213178328 /nfs/dbraw/zinc/17/83/28/213178328.db2.gz VSDIAYMDQCKEOM-UHFFFAOYSA-N 0 0 327.858 3.766 10 0 EHAERN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037979313 213180339 /nfs/dbraw/zinc/18/03/39/213180339.db2.gz HDRBVRZQZHZICG-MRVPVSSYSA-N 0 0 327.133 3.803 10 0 EHAERN CC[C@@H](C)C[C@@](CC)(Nc1ccc(Br)cc1)C(N)=O ZINC000037944191 213175202 /nfs/dbraw/zinc/17/52/02/213175202.db2.gz CLMFHQDVFTZPSW-IAQYHMDHSA-N 0 0 327.266 3.931 10 0 EHAERN CCOC(=O)[C@@](CC)(NC(C)C)c1ccc(Br)cc1 ZINC000037446131 213147887 /nfs/dbraw/zinc/14/78/87/213147887.db2.gz KTMJZKPIHMYVOD-HNNXBMFYSA-N 0 0 328.250 3.616 10 0 EHAERN Clc1ccnc(-c2cc(Br)c3c(c2)OCCCO3)n1 ZINC000036882220 213124777 /nfs/dbraw/zinc/12/47/77/213124777.db2.gz AVOMWJITPMMWMY-UHFFFAOYSA-N 0 0 341.592 3.721 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@H](OCc3cccc(C)c3)C2)cc1 ZINC000036314785 213082896 /nfs/dbraw/zinc/08/28/96/213082896.db2.gz VLTRTHNYNPCFSS-FQEVSTJZSA-N 0 0 339.435 3.825 10 0 EHAERN COC(=O)[C@@H](C)CNc1c(Cl)cc(Br)cc1Cl ZINC000035758540 213048762 /nfs/dbraw/zinc/04/87/62/213048762.db2.gz KGUIQLUSMYQKIA-LURJTMIESA-N 0 0 341.032 3.977 10 0 EHAERN COc1ccc(NC(=O)c2ncccc2C(=O)c2ccccc2)cc1 ZINC000196100975 241035272 /nfs/dbraw/zinc/03/52/72/241035272.db2.gz DNQINZRDLDPVAP-UHFFFAOYSA-N 0 0 332.359 3.574 10 0 EHAERN Cc1cc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c(N)n2n1 ZINC000211796719 241085673 /nfs/dbraw/zinc/08/56/73/241085673.db2.gz KYOAXQZIBAPOAM-UHFFFAOYSA-N 0 0 326.709 3.959 10 0 EHAERN O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000021141618 212211303 /nfs/dbraw/zinc/21/13/03/212211303.db2.gz FVETVNAOCLQXRX-UHFFFAOYSA-N 0 0 346.386 3.826 10 0 EHAERN NC(=S)c1ccc(Oc2ccc(Br)cc2Cl)nc1 ZINC000020372980 212123484 /nfs/dbraw/zinc/12/34/84/212123484.db2.gz LRFCBCJTLPFSOG-UHFFFAOYSA-N 0 0 343.633 3.924 10 0 EHAERN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(N)c2)c(Br)c1 ZINC000020077797 212099852 /nfs/dbraw/zinc/09/98/52/212099852.db2.gz MEYYQTYUTZRXOJ-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN Cc1ccc(OCC(=O)Nc2ccc(N)cc2C)c(Br)c1 ZINC000020077803 212099735 /nfs/dbraw/zinc/09/97/35/212099735.db2.gz VQPUGNAWWOFFIS-UHFFFAOYSA-N 0 0 349.228 3.666 10 0 EHAERN O=C1C(=O)N(CCCc2ccccc2)c2cccc(Br)c21 ZINC000019966767 212091944 /nfs/dbraw/zinc/09/19/44/212091944.db2.gz NNMUZUVBZKJWBX-UHFFFAOYSA-N 0 0 344.208 3.611 10 0 EHAERN N[C@H](c1cc(Br)ccc1Br)C(F)(F)F ZINC000019969190 212091442 /nfs/dbraw/zinc/09/14/42/212091442.db2.gz NPSFJOLYYBHIEN-SSDOTTSWSA-N 0 0 332.945 3.774 10 0 EHAERN COc1cccc(C(=O)Nc2ccc(C)cc2Br)c1O ZINC000019488833 212032830 /nfs/dbraw/zinc/03/28/30/212032830.db2.gz NPOKNPZWKNQJGK-UHFFFAOYSA-N 0 0 336.185 3.724 10 0 EHAERN CC1(C)CO[C@@H](c2ccccc2)CN1CC[S@@](=O)c1ccccc1 ZINC000078516348 217067613 /nfs/dbraw/zinc/06/76/13/217067613.db2.gz QTOWWCYDVQQUKD-DVECYGJZSA-N 0 0 343.492 3.646 10 0 EHAERN Cc1ccc(-n2nnc3c2ncnc3Nc2ccc(Cl)cc2)cc1 ZINC000017043400 211946362 /nfs/dbraw/zinc/94/63/62/211946362.db2.gz XYSIVZYEHGIKBV-UHFFFAOYSA-N 0 0 336.786 3.916 10 0 EHAERN O=C(NCCSc1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000015136558 211805920 /nfs/dbraw/zinc/80/59/20/211805920.db2.gz IFWHLUVNJHDHOS-UHFFFAOYSA-N 0 0 327.236 3.911 10 0 EHAERN CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000012493639 211393938 /nfs/dbraw/zinc/39/39/38/211393938.db2.gz QPLFSAZMHUAMKE-INFZVHENSA-N 0 0 334.500 3.710 10 0 EHAERN CC(C)C(=O)N1CCC(n2c3ccccc3nc2[C@@H]2CCCO2)CC1 ZINC000012099298 211291813 /nfs/dbraw/zinc/29/18/13/211291813.db2.gz IQMGWXJRGJTWBS-SFHVURJKSA-N 0 0 341.455 3.707 10 0 EHAERN COc1ccc(-c2cc(-c3ccco3)c3c(N)ncnc3n2)cc1OC ZINC000009694496 211116252 /nfs/dbraw/zinc/11/62/52/211116252.db2.gz GEXZIRUJIFVSEG-UHFFFAOYSA-N 0 0 348.362 3.551 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCOc2nc3ccccc3[nH]2)CC1 ZINC000095083774 218275771 /nfs/dbraw/zinc/27/57/71/218275771.db2.gz HDIDJOIJLDPOAY-UHFFFAOYSA-N 0 0 345.443 3.979 10 0 EHAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2o1 ZINC000095075321 218272653 /nfs/dbraw/zinc/27/26/53/218272653.db2.gz KTVURENQRXMKPW-CYBMUJFWSA-N 0 0 331.416 3.664 10 0 EHAERN C[C@@H](c1nccs1)N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088742 218278669 /nfs/dbraw/zinc/27/86/69/218278669.db2.gz QJWGMTIHIBGCAK-STQMWFEESA-N 0 0 325.478 3.535 10 0 EHAERN Cc1cc(C)nc(OCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095089862 218279027 /nfs/dbraw/zinc/27/90/27/218279027.db2.gz AIQAIWAWNQBCJA-HNNXBMFYSA-N 0 0 335.448 3.509 10 0 EHAERN Cc1cc(Cl)nc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089899 218279422 /nfs/dbraw/zinc/27/94/22/218279422.db2.gz GASCBAQPHAETBC-GFCCVEGCSA-N 0 0 340.855 3.640 10 0 EHAERN COC(=O)c1cc(Cl)c(NC(=O)c2ccccc2C)cc1OC ZINC000006218017 210602152 /nfs/dbraw/zinc/60/21/52/210602152.db2.gz AKADNEIDFMUVOD-UHFFFAOYSA-N 0 0 333.771 3.696 10 0 EHAERN CC(C)[C@@H](C/C=C/Cl)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000096395163 218749201 /nfs/dbraw/zinc/74/92/01/218749201.db2.gz NWTCPOLSDXHJJC-JHCSKLMMSA-N 0 0 335.831 3.991 10 0 EHAERN Cc1c(C)c(=O)oc2cc(OCc3nnc(C(C)C)s3)ccc12 ZINC000000005661 208548868 /nfs/dbraw/zinc/54/88/68/208548868.db2.gz HQTNJPCZUQAYAB-UHFFFAOYSA-N 0 0 330.409 3.964 10 0 investigational EHAERN COc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1Cl ZINC000004835063 210292224 /nfs/dbraw/zinc/29/22/24/210292224.db2.gz ZWAWZTURDDXGIJ-UHFFFAOYSA-N 0 0 339.786 3.992 10 0 EHAERN Clc1ccccc1Oc1nc2ccccc2nc1N1CCOCC1 ZINC000035479055 132390065 /nfs/dbraw/zinc/39/00/65/132390065.db2.gz REZRBZAWTLJTCC-UHFFFAOYSA-N 0 0 341.798 3.912 10 0 EHAERN CC[C@H](Nc1cnn(CCOC)c1)c1cccc(Br)c1 ZINC000037305444 522779648 /nfs/dbraw/zinc/77/96/48/522779648.db2.gz PFIUXNBYHCTEGZ-HNNXBMFYSA-N 0 0 338.249 3.855 10 0 EHAERN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)cc1OC ZINC000043720033 525309422 /nfs/dbraw/zinc/30/94/22/525309422.db2.gz GCLVZICLJSDCSS-STQMWFEESA-N 0 0 332.400 3.727 10 0 EHAERN CCOC(=O)c1c(N)scc1-c1ccccc1Br ZINC000020081523 563857489 /nfs/dbraw/zinc/85/74/89/563857489.db2.gz SAQKMGSBKKHRSA-UHFFFAOYSA-N 0 0 326.215 3.937 10 0 EHAERN COc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1c1ccccc1 ZINC000000424771 563309910 /nfs/dbraw/zinc/30/99/10/563309910.db2.gz ODPXFIVKZZWSOW-RDTXWAMCSA-N 0 0 326.421 3.630 10 0 EHAERN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@H]1c1ccncc1 ZINC000009529749 563505821 /nfs/dbraw/zinc/50/58/21/563505821.db2.gz WWBMFUUDGHKNLT-HNNXBMFYSA-N 0 0 336.178 3.628 10 0 EHAERN O=C(Cc1nc2cc(Cl)c(Cl)cc2[nH]c1=O)c1ccccc1 ZINC000005397825 563531204 /nfs/dbraw/zinc/53/12/04/563531204.db2.gz HKUVQWVGYCYXDO-UHFFFAOYSA-N 0 0 333.174 3.655 10 0 EHAERN Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)N1CCCCC1 ZINC000015881676 563799690 /nfs/dbraw/zinc/79/96/90/563799690.db2.gz JMENLRITNWMLKC-UHFFFAOYSA-N 0 0 344.440 3.722 10 0 EHAERN Cc1nc(Cl)c(OCc2ccccc2)c(C(=O)OC(C)(C)C)n1 ZINC000400513792 563962061 /nfs/dbraw/zinc/96/20/61/563962061.db2.gz BGTJNVDHHQJJIK-UHFFFAOYSA-N 0 0 334.803 3.973 10 0 EHAERN O=C([O-])c1c(-c2ccccc2)c(-c2ccccc2)nn1C1CC[NH2+]CC1 ZINC000090411008 563974939 /nfs/dbraw/zinc/97/49/39/563974939.db2.gz BKIBJNBCWLXYCP-UHFFFAOYSA-N 0 0 347.418 3.840 10 0 EHAERN CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)N1CCSCC1 ZINC000095525650 563977457 /nfs/dbraw/zinc/97/74/57/563977457.db2.gz HACDIBYLGXSHDK-UHFFFAOYSA-N 0 0 344.484 3.886 10 0 EHAERN O=c1cccc(-c2nc(-c3ccccc3)no2)n1Cc1cccc(F)c1 ZINC000065150224 564101814 /nfs/dbraw/zinc/10/18/14/564101814.db2.gz YAZXSGOYJZWFSY-UHFFFAOYSA-N 0 0 347.349 3.753 10 0 EHAERN Fc1ccccc1-c1c(I)[nH]nc1C(F)F ZINC000675076198 564113270 /nfs/dbraw/zinc/11/32/70/564113270.db2.gz KARKQAQJVOGNDW-UHFFFAOYSA-N 0 0 338.070 3.758 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)c21 ZINC000253396242 564130502 /nfs/dbraw/zinc/13/05/02/564130502.db2.gz MIKFGQNPSNGWFX-UHOSZYNNSA-N 0 0 340.467 3.561 10 0 EHAERN CCc1ccc(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)o1 ZINC000328622928 564136999 /nfs/dbraw/zinc/13/69/99/564136999.db2.gz ITUDLCBSPXXPBN-MRXNPFEDSA-N 0 0 333.432 3.606 10 0 EHAERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ccncc1Cl ZINC000328621917 564137002 /nfs/dbraw/zinc/13/70/02/564137002.db2.gz IBDFCRYUPRJBRP-LLVKDONJSA-N 0 0 335.860 3.692 10 0 EHAERN CC(C)Oc1cccc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000692410684 976452149 /nfs/dbraw/zinc/45/21/49/976452149.db2.gz RLHDLXMIFROXQA-UHFFFAOYSA-N 0 0 327.424 3.951 10 0 EHAERN C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719420327 978004181 /nfs/dbraw/zinc/00/41/81/978004181.db2.gz AZIPOABREQLNHV-CQSZACIVSA-N 0 0 346.652 3.789 10 0 EHAERN CCCCCC[C@@H](C)NC(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000069000853 1015121361 /nfs/dbraw/zinc/12/13/61/1015121361.db2.gz WWHDCUWZFORQNM-CQSZACIVSA-N 0 0 327.428 3.526 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)Cc3ccc(C)cc3)CCO2)o1 ZINC000182679245 1032118595 /nfs/dbraw/zinc/11/85/95/1032118595.db2.gz GVHOUFBIWPVVHV-DNVCBOLYSA-N 0 0 327.424 3.675 10 0 EHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000175883724 1015570610 /nfs/dbraw/zinc/57/06/10/1015570610.db2.gz PCIDBPSUALIPHJ-NSHDSACASA-N 0 0 336.848 3.911 10 0 EHAERN Cc1ccc2c(c1)[C@@H](Nc1cccc(NS(C)(=O)=O)c1)CCCO2 ZINC000182767760 1032128606 /nfs/dbraw/zinc/12/86/06/1032128606.db2.gz FUWFSHTWKSHKBR-KRWDZBQOSA-N 0 0 346.452 3.692 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000246294464 1015948790 /nfs/dbraw/zinc/94/87/90/1015948790.db2.gz BFWQPLMGCUTHDV-UWWQBHOKSA-N 0 0 343.471 3.502 10 0 EHAERN O=C(c1ccc(Cl)c2ncccc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000407978598 1016665558 /nfs/dbraw/zinc/66/55/58/1016665558.db2.gz AZRACGYZAUTHMV-ORAYPTAESA-N 0 0 344.842 3.655 10 0 EHAERN Cc1cc(NC(=O)c2ncncc2Cl)nn1-c1cccc(Cl)c1 ZINC000183307137 1032190727 /nfs/dbraw/zinc/19/07/27/1032190727.db2.gz RMXGBJWPLDYQMD-UHFFFAOYSA-N 0 0 348.193 3.530 10 0 EHAERN O=C(Nc1cccc(C(F)F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184098389 1032252467 /nfs/dbraw/zinc/25/24/67/1032252467.db2.gz ISLZVZHHQQUZKH-UHFFFAOYSA-N 0 0 346.381 3.763 10 0 EHAERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CCC2(CCCC2)C1 ZINC000184686415 1032315463 /nfs/dbraw/zinc/31/54/63/1032315463.db2.gz APJGTUAQWIVHFW-UHFFFAOYSA-N 0 0 336.439 3.619 10 0 EHAERN Cn1nccc1CNC(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000102543749 1032431297 /nfs/dbraw/zinc/43/12/97/1032431297.db2.gz DERZXWXRRMCHRC-UHFFFAOYSA-N 0 0 348.450 3.917 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000089308856 1032523272 /nfs/dbraw/zinc/52/32/72/1032523272.db2.gz OBQRDGPMZJFNKU-GGPKGHCWSA-N 0 0 343.467 3.641 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H](C)c3cccs3)C2)c1 ZINC000081640534 1032615001 /nfs/dbraw/zinc/61/50/01/1032615001.db2.gz DQZUPQCRQQVHGG-UONOGXRCSA-N 0 0 345.464 3.885 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cscc3C)C2)c1 ZINC000081642374 1032615163 /nfs/dbraw/zinc/61/51/63/1032615163.db2.gz VKUVBIFWMAORNC-CYBMUJFWSA-N 0 0 331.437 3.703 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccc(C)c3)C2)c1 ZINC000081642977 1032616591 /nfs/dbraw/zinc/61/65/91/1032616591.db2.gz IKXMCZKWLHAINQ-MRXNPFEDSA-N 0 0 325.408 3.642 10 0 EHAERN Fc1cccc2c1ncnc2N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000408032585 1017258679 /nfs/dbraw/zinc/25/86/79/1017258679.db2.gz ZCPFBEWZYJTPFQ-INIZCTEOSA-N 0 0 337.402 3.712 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)C[C@@H]1O ZINC000091743215 1032719861 /nfs/dbraw/zinc/71/98/61/1032719861.db2.gz UDWQOEDYBHWMDY-OAUYIBNBSA-N 0 0 336.863 3.594 10 0 EHAERN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000408046870 1018276853 /nfs/dbraw/zinc/27/68/53/1018276853.db2.gz NJBVDJQAWPIQQM-OVWQWFNUSA-N 0 0 347.503 3.873 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119166401 1019907818 /nfs/dbraw/zinc/90/78/18/1019907818.db2.gz WOZRHMNEFBAYJU-XFQXTVEOSA-N 0 0 346.446 3.540 10 0 EHAERN C/C(=C/C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000588420490 1021235517 /nfs/dbraw/zinc/23/55/17/1021235517.db2.gz CRODYAIHIBOPKL-DMIOIOJGSA-N 0 0 339.357 3.962 10 0 EHAERN CCC1CCC(NC(=O)N2CCC(Oc3ncccc3F)CC2)CC1 ZINC000333699966 1021329819 /nfs/dbraw/zinc/32/98/19/1021329819.db2.gz KJQAXKGVANFINH-UHFFFAOYSA-N 0 0 349.450 3.742 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c2ccccc2O1 ZINC000246605463 1022074296 /nfs/dbraw/zinc/07/42/96/1022074296.db2.gz BKVJYVIXZTWUKK-VVLHAWIVSA-N 0 0 344.455 3.546 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)C3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000094069266 1022095789 /nfs/dbraw/zinc/09/57/89/1022095789.db2.gz VEPWCPVGRSIFKA-LBTNJELSSA-N 0 0 341.455 3.738 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1c(C)noc1C ZINC000123272319 1022325241 /nfs/dbraw/zinc/32/52/41/1022325241.db2.gz FMGWERIYFKPLJB-KGLIPLIRSA-N 0 0 348.472 3.788 10 0 EHAERN Cc1ccc(NC(=O)/C=C\c2ccncn2)cc1OCCC(C)C ZINC000588438878 1022442912 /nfs/dbraw/zinc/44/29/12/1022442912.db2.gz XLNZHXABSYLUGS-SREVYHEPSA-N 0 0 325.412 3.862 10 0 EHAERN CCCCCOc1cc(C)ccc1CNC(=O)/C=C\c1ccncn1 ZINC000588440216 1022453929 /nfs/dbraw/zinc/45/39/29/1022453929.db2.gz BDCJRKFCSHFSOB-HJWRWDBZSA-N 0 0 339.439 3.684 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)[nH]1 ZINC000328759355 1022482383 /nfs/dbraw/zinc/48/23/83/1022482383.db2.gz WJQDQNJVPHVBCX-XHSDSOJGSA-N 0 0 344.846 3.624 10 0 EHAERN CCO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C[C@@H]1C ZINC000333873840 1022707801 /nfs/dbraw/zinc/70/78/01/1022707801.db2.gz SKXZIQJJRDTHDN-IFXJQAMLSA-N 0 0 344.455 3.875 10 0 EHAERN Cc1cc(N2CCC(OC3CCOCC3)CC2)c2cccc(F)c2n1 ZINC000127028749 1022892131 /nfs/dbraw/zinc/89/21/31/1022892131.db2.gz DXUZKAQULLLQJJ-UHFFFAOYSA-N 0 0 344.430 3.847 10 0 EHAERN COCCN(CCCc1ccccc1)C(=O)/C=C\c1ncccc1C ZINC000588452502 1023023990 /nfs/dbraw/zinc/02/39/90/1023023990.db2.gz UENWWOFLKWSHPP-SEYXRHQNSA-N 0 0 338.451 3.511 10 0 EHAERN Cc1cnn(-c2ccc(NC(=O)/C=C\c3ncccc3C)cc2F)c1 ZINC000588453107 1023036326 /nfs/dbraw/zinc/03/63/26/1023036326.db2.gz QYZWRBIGVLOQNV-VURMDHGXSA-N 0 0 336.370 3.675 10 0 EHAERN C[C@H](NC(=O)N(C)[C@@H](C)c1cnn(C)c1)c1nc(C(C)(C)C)cs1 ZINC000180621581 1023296235 /nfs/dbraw/zinc/29/62/35/1023296235.db2.gz RBZBWFFBWTYVHR-RYUDHWBXSA-N 0 0 349.504 3.638 10 0 EHAERN C[C@@](O)(CNC(=O)C/C=C\c1cccc(F)c1)c1cccc(Cl)c1 ZINC000588470392 1023648857 /nfs/dbraw/zinc/64/88/57/1023648857.db2.gz HEIAKNMMOKLORS-WSGSOLELSA-N 0 0 347.817 3.906 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181333014 1024007235 /nfs/dbraw/zinc/00/72/35/1024007235.db2.gz ICUZSSILENTBDC-NVXWUHKLSA-N 0 0 340.471 3.860 10 0 EHAERN CCCn1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000181407174 1024017963 /nfs/dbraw/zinc/01/79/63/1024017963.db2.gz QIMSFHJOPFUVRL-QGZVFWFLSA-N 0 0 339.439 3.860 10 0 EHAERN CC1(C)CCCC[C@H]1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000134618963 1024148352 /nfs/dbraw/zinc/14/83/52/1024148352.db2.gz GSXUDNKSIGECDE-HUUCEWRRSA-N 0 0 332.469 3.575 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000134661142 1024149091 /nfs/dbraw/zinc/14/90/91/1024149091.db2.gz JLGBWUIANMERNR-NEPJUHHUSA-N 0 0 344.377 3.881 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)CC3(C)CCCCC3)CC2)nc1 ZINC000151560386 1024182840 /nfs/dbraw/zinc/18/28/40/1024182840.db2.gz FEJLQXTYQAHXMU-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128810999 1024317451 /nfs/dbraw/zinc/31/74/51/1024317451.db2.gz KCBIJZWYJVKUMY-WBVHZDCISA-N 0 0 346.519 3.599 10 0 EHAERN CCO[C@H]1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)C[C@@H]1C ZINC000333661962 1024347437 /nfs/dbraw/zinc/34/74/37/1024347437.db2.gz MIPXKFRSLLMSMZ-YOEHRIQHSA-N 0 0 348.491 3.747 10 0 EHAERN CCc1ccccc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101739404 1024366278 /nfs/dbraw/zinc/36/62/78/1024366278.db2.gz ZHPRYCSGTYUWFJ-HNNXBMFYSA-N 0 0 345.487 3.654 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@@H](C)c3ccc(F)cc3F)CCO2)o1 ZINC000151725049 1024500081 /nfs/dbraw/zinc/50/00/81/1024500081.db2.gz GZHZFGOMSLHVCO-KZULUSFZSA-N 0 0 349.377 3.960 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc4ccc(C)nc43)CCO2)o1 ZINC000151727262 1024503405 /nfs/dbraw/zinc/50/34/05/1024503405.db2.gz XGRFXDNXBSVXHK-SFHVURJKSA-N 0 0 336.391 3.658 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)CCc3cccc(F)c3)CCO2)o1 ZINC000151730901 1024509727 /nfs/dbraw/zinc/50/97/27/1024509727.db2.gz ILNFZXSFHMVRQL-AUUYWEPGSA-N 0 0 345.414 3.896 10 0 EHAERN FC(F)(F)c1csc(CN2CCC[C@@H](c3nccs3)C2)n1 ZINC000151754087 1024543972 /nfs/dbraw/zinc/54/39/72/1024543972.db2.gz SNLXEMSRLPZXLT-SECBINFHSA-N 0 0 333.404 3.998 10 0 EHAERN C[C@H](c1nc(C(C)(C)C)no1)N1CCC(Oc2ccccc2)CC1 ZINC000098137043 1024579915 /nfs/dbraw/zinc/57/99/15/1024579915.db2.gz YNWHHTUEQUFVIK-CQSZACIVSA-N 0 0 329.444 3.972 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000151808765 1024713178 /nfs/dbraw/zinc/71/31/78/1024713178.db2.gz CQCRPDSFUSYSSL-AUUYWEPGSA-N 0 0 343.423 3.690 10 0 EHAERN CCO[C@@H]1C[C@H](OC(=O)/C(C)=C\c2ccc(F)cc2)C12CCOCC2 ZINC000588492919 1024937955 /nfs/dbraw/zinc/93/79/55/1024937955.db2.gz VXULRIZJYMFDIS-JKTUTYCYSA-N 0 0 348.414 3.746 10 0 EHAERN Cn1nc(CCNC(=O)/C=C\c2ccccc2Cl)c2ccccc21 ZINC000588499666 1025235953 /nfs/dbraw/zinc/23/59/53/1025235953.db2.gz IJYOTYYBMUZVJU-KHPPLWFESA-N 0 0 339.826 3.599 10 0 EHAERN O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCC[C@@H]1C1CCC1 ZINC000102875953 1025551821 /nfs/dbraw/zinc/55/18/21/1025551821.db2.gz AWCDNWWYPZZTTR-QGZVFWFLSA-N 0 0 329.831 3.930 10 0 EHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000102988754 1025564781 /nfs/dbraw/zinc/56/47/81/1025564781.db2.gz NFDZGPDJODRLRB-FHLIZLRMSA-N 0 0 330.472 3.579 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000121917140 1026040178 /nfs/dbraw/zinc/04/01/78/1026040178.db2.gz JISGOFZSBRIEKV-SUHUHFCYSA-N 0 0 328.239 3.593 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C(C)=O)cc3)C2)cc1 ZINC000121945888 1026054633 /nfs/dbraw/zinc/05/46/33/1026054633.db2.gz BRCYGXPWGMSMPM-LIRRHRJNSA-N 0 0 337.419 3.916 10 0 EHAERN CC(C)c1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)[nH]1 ZINC000329602306 1026058316 /nfs/dbraw/zinc/05/83/16/1026058316.db2.gz KVWYPMVMGBHICM-SJORKVTESA-N 0 0 338.455 3.712 10 0 EHAERN COC(=O)c1cc(F)ccc1COc1c(OC)cc(C)cc1OC ZINC000103462783 1026089464 /nfs/dbraw/zinc/08/94/64/1026089464.db2.gz QMXCCCURJPQCFN-UHFFFAOYSA-N 0 0 334.343 3.517 10 0 EHAERN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000047923463 1026214839 /nfs/dbraw/zinc/21/48/39/1026214839.db2.gz OWISPYOXHIVKAR-DLBZAZTESA-N 0 0 345.830 3.514 10 0 EHAERN COc1ccccc1CCN(C)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000104458793 1026255840 /nfs/dbraw/zinc/25/58/40/1026255840.db2.gz NMUKNZXIVHDRQY-UHFFFAOYSA-N 0 0 327.399 3.567 10 0 EHAERN COc1cc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc(OC)c1OC ZINC000192794994 1026345896 /nfs/dbraw/zinc/34/58/96/1026345896.db2.gz OJYNZJYVHCPEHS-CJNGLKHVSA-N 0 0 343.423 3.887 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3cc(C)cc(F)c3)CC2)nc1 ZINC000152757850 1026689519 /nfs/dbraw/zinc/68/95/19/1026689519.db2.gz FEFTVRQUPKLFBI-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN O=c1[nH]c(N2CCC[C@@H](COc3ccccc3)C2)nc2ccccc21 ZINC000301278412 1026748019 /nfs/dbraw/zinc/74/80/19/1026748019.db2.gz JMTTZJAHLCFBJZ-OAHLLOKOSA-N 0 0 335.407 3.631 10 0 EHAERN COCc1nsc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000301692296 1026904004 /nfs/dbraw/zinc/90/40/04/1026904004.db2.gz ZCRFYDCRDNYOTF-HNNXBMFYSA-N 0 0 346.843 3.934 10 0 EHAERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248700377 1027042902 /nfs/dbraw/zinc/04/29/02/1027042902.db2.gz ADFBHGWMMBADHD-NTSITTNCSA-N 0 0 346.446 3.706 10 0 EHAERN Cc1ccc(NC(=O)Cc2noc([C@@H]3Oc4ccccc4[C@H]3C)n2)cc1 ZINC000118165399 1027168953 /nfs/dbraw/zinc/16/89/53/1027168953.db2.gz DRDDKXCHZMKVMY-BFUOFWGJSA-N 0 0 349.390 3.796 10 0 EHAERN Fc1ccccc1Cc1nnc(N2CCC([C@H]3CCCO3)CC2)s1 ZINC000302586508 1027204753 /nfs/dbraw/zinc/20/47/53/1027204753.db2.gz VJJNKOFFLITMAB-MRXNPFEDSA-N 0 0 347.459 3.663 10 0 EHAERN CC(C)(C)n1ncc2c1ncnc2N1CC2(CCCC2)OC(C)(C)C1 ZINC000302674262 1027232311 /nfs/dbraw/zinc/23/23/11/1027232311.db2.gz PDWXFWHJTSXADN-UHFFFAOYSA-N 0 0 343.475 3.509 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1ccc2ccccc2c1 ZINC000333622812 1027248013 /nfs/dbraw/zinc/24/80/13/1027248013.db2.gz ZSHNKJPCVYKPLS-DNVCBOLYSA-N 0 0 338.451 3.990 10 0 EHAERN Cc1cccc(N2CCC(Nc3ncc(C(F)(F)F)s3)CC2)n1 ZINC000302784747 1027287770 /nfs/dbraw/zinc/28/77/70/1027287770.db2.gz UXYHYCWDWXSIPP-UHFFFAOYSA-N 0 0 342.390 3.946 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc43)CCO2)o1 ZINC000127262283 1027290722 /nfs/dbraw/zinc/29/07/22/1027290722.db2.gz AWLOSGRGYIRZNI-IBGZPJMESA-N 0 0 338.407 3.520 10 0 EHAERN O=C(CN1CC=C(c2ccccc2F)CC1)Nc1cccnc1Cl ZINC000127678867 1027336321 /nfs/dbraw/zinc/33/63/21/1027336321.db2.gz MBEDMNRUXWKGMF-UHFFFAOYSA-N 0 0 345.805 3.602 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2ccc(Cl)c(C)c2)c2ccccc2)[nH]1 ZINC000128185696 1027404384 /nfs/dbraw/zinc/40/43/84/1027404384.db2.gz XVHQKYSYIFSGLO-MRXNPFEDSA-N 0 0 340.814 3.594 10 0 EHAERN CC1(C)CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000129278136 1027542391 /nfs/dbraw/zinc/54/23/91/1027542391.db2.gz HIBRRZLMUJKLIM-HNNXBMFYSA-N 0 0 332.469 3.575 10 0 EHAERN O=C(c1cccs1)N1CCCN(c2ccnc3ccsc32)CC1 ZINC000078251818 1027563181 /nfs/dbraw/zinc/56/31/81/1027563181.db2.gz NPVQEOHHAWAUTA-UHFFFAOYSA-N 0 0 343.477 3.710 10 0 EHAERN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1cscn1 ZINC000102012925 1027846159 /nfs/dbraw/zinc/84/61/59/1027846159.db2.gz NYAUCXZINSYTHS-SECBINFHSA-N 0 0 344.267 3.880 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C(C)(C)c3ccc(F)cc3)CCO2)o1 ZINC000133376136 1028025637 /nfs/dbraw/zinc/02/56/37/1028025637.db2.gz CILHIOGPYYVGDO-QGZVFWFLSA-N 0 0 331.387 3.605 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)o1 ZINC000133813385 1028070799 /nfs/dbraw/zinc/07/07/99/1028070799.db2.gz KRVNENKENWIXKS-IBGZPJMESA-N 0 0 338.407 3.602 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C)c(F)cc3Cl)CCO2)o1 ZINC000134170431 1028099788 /nfs/dbraw/zinc/09/97/88/1028099788.db2.gz SNDPPPKZEBPVBD-INIZCTEOSA-N 0 0 337.778 3.903 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)CCO2)o1 ZINC000134192056 1028100331 /nfs/dbraw/zinc/10/03/31/1028100331.db2.gz SZCTUEXWOKILTL-SCTDSRPQSA-N 0 0 325.408 3.600 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(C(F)(F)F)ccc1F ZINC000246262716 1028107016 /nfs/dbraw/zinc/10/70/16/1028107016.db2.gz ZHUWNAMFFVXNIR-ZLKJLUDKSA-N 0 0 343.320 3.532 10 0 EHAERN COc1cc(Br)ccc1[C@H](C)NC(=O)/C=C(/C)C1CC1 ZINC000588562165 1028423497 /nfs/dbraw/zinc/42/34/97/1028423497.db2.gz MCFFNBAPMBAKSC-IEHMKBBKSA-N 0 0 338.245 3.991 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408254192 1028446325 /nfs/dbraw/zinc/44/63/25/1028446325.db2.gz BRBFBWQYOSMRRS-MEBBXXQBSA-N 0 0 344.242 3.547 10 0 EHAERN O=C(Nc1cc2c(cc1Cl)OCO2)[C@H]1CCCc2cccnc21 ZINC000193909991 1028478451 /nfs/dbraw/zinc/47/84/51/1028478451.db2.gz UBWXLHCCRGIHRM-NSHDSACASA-N 0 0 330.771 3.522 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccccc2N2CCCC2=O)[C@@H]2CCCC[C@H]21 ZINC000248431119 1028489335 /nfs/dbraw/zinc/48/93/35/1028489335.db2.gz PYKDCJVNAFAKES-HLLBOEOZSA-N 0 0 341.455 3.856 10 0 EHAERN Cc1cccc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1C ZINC000246735755 1028535660 /nfs/dbraw/zinc/53/56/60/1028535660.db2.gz GKSYBKOHRZZZSD-ABSDTBQOSA-N 0 0 330.472 3.701 10 0 EHAERN c1cnn(-c2ccccc2CN[C@@H](c2cccs2)c2ncc[nH]2)c1 ZINC000195082583 1028578031 /nfs/dbraw/zinc/57/80/31/1028578031.db2.gz MCTNTTJOCVVAGG-KRWDZBQOSA-N 0 0 335.436 3.536 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccccc3C(C)=O)C2)cc1 ZINC000073850625 1028583142 /nfs/dbraw/zinc/58/31/42/1028583142.db2.gz CLJVSIHJONZJCT-YOEHRIQHSA-N 0 0 337.419 3.916 10 0 EHAERN C[C@H]1CCC[C@@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000074514732 1028621085 /nfs/dbraw/zinc/62/10/85/1028621085.db2.gz NRBGGDQLSYVVRA-GOEBONIOSA-N 0 0 348.512 3.637 10 0 EHAERN CN(Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246670662 1028675992 /nfs/dbraw/zinc/67/59/92/1028675992.db2.gz DDSLTVHOBOXUCS-JZXOWHBKSA-N 0 0 328.412 3.532 10 0 EHAERN C[C@H](O)c1ccc(CNC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1 ZINC000247237526 1028761828 /nfs/dbraw/zinc/76/18/28/1028761828.db2.gz OKRDESJBFYXKDN-GQIGUUNPSA-N 0 0 338.451 3.828 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1csc(-c2cccs2)n1 ZINC000247340245 1028779138 /nfs/dbraw/zinc/77/91/38/1028779138.db2.gz JLCVPUQRWPNGPO-DMDPSCGWSA-N 0 0 334.466 3.559 10 0 EHAERN O=C(Nc1ccccc1N1CCCCC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247429688 1028787630 /nfs/dbraw/zinc/78/76/30/1028787630.db2.gz NRJWSRKPPLDDQS-FCEWJHQRSA-N 0 0 343.471 3.756 10 0 EHAERN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c(F)c1 ZINC000247825116 1028817896 /nfs/dbraw/zinc/81/78/96/1028817896.db2.gz ISYWXSMFFIYDCL-CYBMUJFWSA-N 0 0 346.427 3.687 10 0 EHAERN Cc1coc(-c2cc(NC(=O)N[C@H]3CC[C@H](CO)CC3)ccc2C)n1 ZINC000248115479 1028847483 /nfs/dbraw/zinc/84/74/83/1028847483.db2.gz CTDFOTKYTSFGSF-SHTZXODSSA-N 0 0 343.427 3.631 10 0 EHAERN CC(C)Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cn1 ZINC000248386789 1028877504 /nfs/dbraw/zinc/87/75/04/1028877504.db2.gz NXIVYNYLYVJFPD-IAGOWNOFSA-N 0 0 333.501 3.689 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CCO1 ZINC000248424401 1028897847 /nfs/dbraw/zinc/89/78/47/1028897847.db2.gz ZXXNWOAIRCVDIH-BRSBDYLESA-N 0 0 349.471 3.680 10 0 EHAERN O[C@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1Cl ZINC000248431784 1028900988 /nfs/dbraw/zinc/90/09/88/1028900988.db2.gz YCDZBSSUVCNCMK-IAQYHMDHSA-N 0 0 340.851 3.849 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000248956979 1028949912 /nfs/dbraw/zinc/94/99/12/1028949912.db2.gz DGQZIIWQCOYFIG-QAQDUYKDSA-N 0 0 342.483 3.624 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000248874350 1028961213 /nfs/dbraw/zinc/96/12/13/1028961213.db2.gz BZDTXRSBWDGFRM-ZEGGKSINSA-N 0 0 344.242 3.511 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@H]2CC[C@H](O)CC2)cs1 ZINC000248954082 1028973352 /nfs/dbraw/zinc/97/33/52/1028973352.db2.gz BTEHIFCWGFVKJN-HDJSIYSDSA-N 0 0 331.441 3.544 10 0 EHAERN Cc1cscc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245703320 1029059927 /nfs/dbraw/zinc/05/99/27/1029059927.db2.gz RIBWCGVIHVFQCS-HOTGVXAUSA-N 0 0 336.407 3.510 10 0 EHAERN COCc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000078185677 1029223400 /nfs/dbraw/zinc/22/34/00/1029223400.db2.gz YRVQUMLHYVYIRD-DNVCBOLYSA-N 0 0 339.435 3.860 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000155458170 1029542213 /nfs/dbraw/zinc/54/22/13/1029542213.db2.gz CGIFJTXGSBRCLM-LRDDRELGSA-N 0 0 344.480 3.664 10 0 EHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000114814967 1029841316 /nfs/dbraw/zinc/84/13/16/1029841316.db2.gz QABQTBVKWIOXGW-VIFPVBQESA-N 0 0 341.358 3.972 10 0 EHAERN COCCC1(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)CCC1 ZINC000156831799 1030054518 /nfs/dbraw/zinc/05/45/18/1030054518.db2.gz PACMTIKDAJYCIY-RDJZCZTQSA-N 0 0 331.456 3.606 10 0 EHAERN C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1ccc(O)cc1 ZINC000156836222 1030066760 /nfs/dbraw/zinc/06/67/60/1030066760.db2.gz HBZYSLGJLPGTFJ-LBPRGKRZSA-N 0 0 329.377 3.582 10 0 EHAERN CSc1nsc(NC(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000156852967 1030073914 /nfs/dbraw/zinc/07/39/14/1030073914.db2.gz MLMPNFULXKINCG-UHFFFAOYSA-N 0 0 332.454 3.581 10 0 EHAERN C[C@]1(CNC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCCS1 ZINC000120939585 1030134729 /nfs/dbraw/zinc/13/47/29/1030134729.db2.gz YHOWZGSCSYTQFJ-RDTXWAMCSA-N 0 0 334.485 3.874 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccccc3C)CCO2)o1 ZINC000157275210 1030400067 /nfs/dbraw/zinc/40/00/67/1030400067.db2.gz NSUMQAOUKNAHDW-YJBOKZPZSA-N 0 0 328.412 3.741 10 0 EHAERN CCOC(=O)c1ccc(CN2CCC(c3nc(C)cs3)CC2)o1 ZINC000092787509 1030517563 /nfs/dbraw/zinc/51/75/63/1030517563.db2.gz GAHCPIYQYUPTII-UHFFFAOYSA-N 0 0 334.441 3.601 10 0 EHAERN C[C@H](Cc1nc([C@H]2CN3CCC[C@@]3(C)CO2)no1)C1CCCCC1 ZINC000329370424 1030539803 /nfs/dbraw/zinc/53/98/03/1030539803.db2.gz AROYFEGHYJKETN-OGWOLHLISA-N 0 0 333.476 3.754 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(C2CCC2)cc1 ZINC000588581856 1030642779 /nfs/dbraw/zinc/64/27/79/1030642779.db2.gz UBFWAVIISLFSFB-PLNGDYQASA-N 0 0 344.455 3.765 10 0 EHAERN c1coc([C@@H]2CN(Cc3cccn3Cc3cccs3)CCO2)c1 ZINC000093841200 1030679958 /nfs/dbraw/zinc/67/99/58/1030679958.db2.gz GWXPEICFSCELTQ-SFHVURJKSA-N 0 0 328.437 3.764 10 0 EHAERN O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000170890749 1030710797 /nfs/dbraw/zinc/71/07/97/1030710797.db2.gz HCJHFOUOXQXOLG-GFCCVEGCSA-N 0 0 338.379 3.764 10 0 EHAERN C[C@]1(C(=O)N[C@@H](c2ccccc2)c2cccnc2)CC1(Cl)Cl ZINC000171226377 1030748286 /nfs/dbraw/zinc/74/82/86/1030748286.db2.gz DBOVSKOPNVFJQH-GOEBONIOSA-N 0 0 335.234 3.871 10 0 EHAERN CC(C)(C(=O)Nc1cccc(-c2ncon2)c1)c1ccc(F)cc1 ZINC000171298345 1030752913 /nfs/dbraw/zinc/75/29/13/1030752913.db2.gz FIEQMJXLTPIRPG-UHFFFAOYSA-N 0 0 325.343 3.792 10 0 EHAERN CCCc1nc(C)c(C(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000171641790 1030769393 /nfs/dbraw/zinc/76/93/93/1030769393.db2.gz BMDCLRNPIUGILA-GFCCVEGCSA-N 0 0 335.498 3.880 10 0 EHAERN Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171648101 1030771915 /nfs/dbraw/zinc/77/19/15/1030771915.db2.gz IBJNQGBYHFZAJJ-HNNXBMFYSA-N 0 0 330.453 3.545 10 0 EHAERN O=C(Nc1cc(F)cc(F)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171887777 1030804326 /nfs/dbraw/zinc/80/43/26/1030804326.db2.gz JXNUJVJKXUZULO-UHFFFAOYSA-N 0 0 331.366 3.846 10 0 EHAERN CC[C@H](OC1CCCC1)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171976846 1030855983 /nfs/dbraw/zinc/85/59/83/1030855983.db2.gz KIGKWJLKULEPJG-IBGZPJMESA-N 0 0 330.472 3.601 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C4CC4)on3)C2)cc1 ZINC000172369149 1030950856 /nfs/dbraw/zinc/95/08/56/1030950856.db2.gz KPQUMBKSSSCEPN-DOMZBBRYSA-N 0 0 326.396 3.579 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172605672 1030975719 /nfs/dbraw/zinc/97/57/19/1030975719.db2.gz DXQYIQHRKUSRSP-SFTDATJTSA-N 0 0 334.463 3.975 10 0 EHAERN CO[C@H](C(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000174080528 1031162725 /nfs/dbraw/zinc/16/27/25/1031162725.db2.gz MBDUHUAYZYNBHK-IBGZPJMESA-N 0 0 342.414 3.616 10 0 EHAERN C[C@@H](C1CC1)N(C(=O)NC[C@H]1CCN(C)c2ccccc21)C1CC1 ZINC000174218157 1031179892 /nfs/dbraw/zinc/17/98/92/1031179892.db2.gz PHOQKMKPMUJCDQ-GOEBONIOSA-N 0 0 327.472 3.583 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC[C@@H]3CC[C@@H](C)O3)C2)cc1 ZINC000174015891 1031194383 /nfs/dbraw/zinc/19/43/83/1031194383.db2.gz KDHHEYBEZOWZAL-MGTHKWJCSA-N 0 0 331.456 3.747 10 0 EHAERN C[C@H](CC(=O)N1CCC[C@H](c2cc[nH]n2)C1)Cc1cccc(F)c1 ZINC000174305529 1031227451 /nfs/dbraw/zinc/22/74/51/1031227451.db2.gz PNPZWSFBWXDLFK-HOCLYGCPSA-N 0 0 329.419 3.524 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](CC)C2)C1 ZINC000155965720 1031284763 /nfs/dbraw/zinc/28/47/63/1031284763.db2.gz XWHNJRQSPXASOX-GVDBMIGSSA-N 0 0 332.492 3.761 10 0 EHAERN Cc1nc(CC(C)C)c(C(=O)Nc2cccc(-c3ncon3)c2)s1 ZINC000176166898 1031390585 /nfs/dbraw/zinc/39/05/85/1031390585.db2.gz YJDGYWDVPMOJOY-UHFFFAOYSA-N 0 0 342.424 3.952 10 0 EHAERN CC(C)c1nnc(CCC(=O)N2CC=C(c3cccs3)CC2)o1 ZINC000176863022 1031498362 /nfs/dbraw/zinc/49/83/62/1031498362.db2.gz FHQZQVMDUMPSNR-UHFFFAOYSA-N 0 0 331.441 3.503 10 0 EHAERN CC(C)n1nnnc1CSCc1ncc(-c2ccccc2Cl)o1 ZINC000176912169 1031504394 /nfs/dbraw/zinc/50/43/94/1031504394.db2.gz PLHONJNJKKYMLI-UHFFFAOYSA-N 0 0 349.847 3.996 10 0 EHAERN Cc1ccc([C@H]2CN(CC(=O)Nc3sc(C)c(C)c3C)CCO2)o1 ZINC000158674921 1031519643 /nfs/dbraw/zinc/51/96/43/1031519643.db2.gz KLTYZTIFGQCXOK-MRXNPFEDSA-N 0 0 348.468 3.587 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)o1 ZINC000158660274 1031527201 /nfs/dbraw/zinc/52/72/01/1031527201.db2.gz PWDCHYOJYDZNFJ-MRXNPFEDSA-N 0 0 330.409 3.878 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3ccccc3F)C2)c1 ZINC000177261025 1031530025 /nfs/dbraw/zinc/53/00/25/1031530025.db2.gz MNBWKUZPBOHNEB-ZDUSSCGKSA-N 0 0 344.386 3.864 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000117057327 1031545985 /nfs/dbraw/zinc/54/59/85/1031545985.db2.gz UXNNIXRJXJWBJS-CRAIPNDOSA-N 0 0 344.503 3.579 10 0 EHAERN CCOCCC1(C(=O)N2CCC(Cc3ccccn3)CC2)CCCC1 ZINC000178240765 1031645244 /nfs/dbraw/zinc/64/52/44/1031645244.db2.gz MKYNOVSOEGFXGA-UHFFFAOYSA-N 0 0 344.499 3.850 10 0 EHAERN CS[C@@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179348475 1031771219 /nfs/dbraw/zinc/77/12/19/1031771219.db2.gz JJKXHMZQOKQTRR-DLBZAZTESA-N 0 0 331.437 3.592 10 0 EHAERN COc1ccc(OC(F)F)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117611051 1031778792 /nfs/dbraw/zinc/77/87/92/1031778792.db2.gz WEERCIQTSPTGRV-QFYYESIMSA-N 0 0 349.333 3.800 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117653741 1031786779 /nfs/dbraw/zinc/78/67/79/1031786779.db2.gz VEKYBFQYIDRXCM-BFUOFWGJSA-N 0 0 341.407 3.986 10 0 EHAERN Cc1scc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000179655888 1031794905 /nfs/dbraw/zinc/79/49/05/1031794905.db2.gz CLXNRMZFEFIEHP-UHFFFAOYSA-N 0 0 348.512 3.620 10 0 EHAERN CCOCc1cc(CN2CCO[C@@H](c3ccc(C)o3)C2)ccc1OC ZINC000180213082 1031866962 /nfs/dbraw/zinc/86/69/62/1031866962.db2.gz QDTJWYFYRTZPBD-HXUWFJFHSA-N 0 0 345.439 3.707 10 0 EHAERN O=C(CC1CCC(C(F)(F)F)CC1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000180738720 1031902675 /nfs/dbraw/zinc/90/26/75/1031902675.db2.gz RQXMHJNZLRLZSI-KOFWRZPESA-N 0 0 341.373 3.520 10 0 EHAERN CC[S@](=O)c1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117856441 1031911145 /nfs/dbraw/zinc/91/11/45/1031911145.db2.gz VLVVWEFSVDFYOQ-HSZRJFAPSA-N 0 0 345.489 3.805 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C3(C)CCCCCC3)CC2)n1 ZINC000180851885 1031912797 /nfs/dbraw/zinc/91/27/97/1031912797.db2.gz FJYNRJWDDPMEDA-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)c1ccncc1 ZINC000117957413 1031984443 /nfs/dbraw/zinc/98/44/43/1031984443.db2.gz SUEDIBDAAUKZCT-HNAYVOBHSA-N 0 0 338.455 3.755 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc(C)c(F)cc3F)CC2)nc1 ZINC000181189345 1031991510 /nfs/dbraw/zinc/99/15/10/1031991510.db2.gz XCQGDJYRXYRJLQ-UHFFFAOYSA-N 0 0 346.377 3.660 10 0 EHAERN Cc1nccn1-c1ccc(CNC(=O)/C=C/c2cc(C)cc(C)c2)cn1 ZINC000181848846 1032039186 /nfs/dbraw/zinc/03/91/86/1032039186.db2.gz IBXJFLFUQYNNCP-FNORWQNLSA-N 0 0 346.434 3.522 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000120807319 1034169389 /nfs/dbraw/zinc/16/93/89/1034169389.db2.gz AGBUKXCJGXSEBW-HOCLYGCPSA-N 0 0 342.443 3.883 10 0 EHAERN CCCN(C(=O)c1cnc(C2CC2)nc1)[C@H]1CCCc2cccnc21 ZINC000451010796 1035027911 /nfs/dbraw/zinc/02/79/11/1035027911.db2.gz VTTPPXNVJDEMIN-KRWDZBQOSA-N 0 0 336.439 3.679 10 0 EHAERN OCc1cc2ccccc2nc1NCc1ncc(-c2ccccc2)cn1 ZINC000185996291 1035560993 /nfs/dbraw/zinc/56/09/93/1035560993.db2.gz BHBNGBOOACVARR-UHFFFAOYSA-N 0 0 342.402 3.796 10 0 EHAERN Cc1nnnn1-c1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1 ZINC000186480910 1035642178 /nfs/dbraw/zinc/64/21/78/1035642178.db2.gz WTNYSWMKJXZVSV-NSHDSACASA-N 0 0 328.445 3.724 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@H]2CCCC[C@H]12 ZINC000186662976 1035682223 /nfs/dbraw/zinc/68/22/23/1035682223.db2.gz QNXSEJGDZSREQQ-VMGRFDJRSA-N 0 0 342.443 3.706 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)c2cnc3c(c2)ncn3C)cs1 ZINC000186907942 1035717922 /nfs/dbraw/zinc/71/79/22/1035717922.db2.gz ZHWUVWSBZMNZHY-UHFFFAOYSA-N 0 0 349.419 3.653 10 0 EHAERN CC(C)CC1(CNC(=O)N2CCC(Nc3nccs3)CC2)CC1 ZINC000187524337 1035834649 /nfs/dbraw/zinc/83/46/49/1035834649.db2.gz SEFFFLJTLQZHAE-UHFFFAOYSA-N 0 0 336.505 3.555 10 0 EHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccsc1Cl ZINC000187819220 1035862877 /nfs/dbraw/zinc/86/28/77/1035862877.db2.gz ZJUBDBYKBWVBFU-LLVKDONJSA-N 0 0 338.841 3.843 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2CCCN2c2nccs2)n1 ZINC000188047059 1035885830 /nfs/dbraw/zinc/88/58/30/1035885830.db2.gz DSVPYEJOYPUBIE-AVGNSLFASA-N 0 0 348.472 3.786 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188482562 1035942516 /nfs/dbraw/zinc/94/25/16/1035942516.db2.gz CJDPQRZJIBKSQC-KRWDZBQOSA-N 0 0 338.407 3.840 10 0 EHAERN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188530340 1035949179 /nfs/dbraw/zinc/94/91/79/1035949179.db2.gz WJIFVYFNEOEXCA-PBHICJAKSA-N 0 0 334.419 3.508 10 0 EHAERN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188580797 1035951756 /nfs/dbraw/zinc/95/17/56/1035951756.db2.gz JBYLYZHZXCXWBH-SGTLLEGYSA-N 0 0 338.382 3.544 10 0 EHAERN C[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)[C@H]1c1cccc(F)c1 ZINC000188607212 1035964245 /nfs/dbraw/zinc/96/42/45/1035964245.db2.gz MDHWJKGIMMMVOK-CWTRNNRKSA-N 0 0 338.382 3.544 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000188841899 1035989449 /nfs/dbraw/zinc/98/94/49/1035989449.db2.gz SQCBOOOLENANDE-BEFAXECRSA-N 0 0 339.435 3.697 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189095663 1036014922 /nfs/dbraw/zinc/01/49/22/1036014922.db2.gz XNLHYUUNELNUGJ-CWRNSKLLSA-N 0 0 337.464 3.663 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000189621314 1036103186 /nfs/dbraw/zinc/10/31/86/1036103186.db2.gz GBIZRZOVCUKRDX-UHFFFAOYSA-N 0 0 337.467 3.783 10 0 EHAERN CCn1nccc1/C=C/C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189642932 1036105138 /nfs/dbraw/zinc/10/51/38/1036105138.db2.gz LDOSYNKHSLLMHO-OWNNVSBGSA-N 0 0 345.393 3.601 10 0 EHAERN Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C)cs1 ZINC000189814318 1036149003 /nfs/dbraw/zinc/14/90/03/1036149003.db2.gz LFLZJGOYTCLTBX-KRWDZBQOSA-N 0 0 329.469 3.926 10 0 EHAERN CC(C)OCCCC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190284076 1036215982 /nfs/dbraw/zinc/21/59/82/1036215982.db2.gz FITNWKSQFIETLB-CQSZACIVSA-N 0 0 325.399 3.876 10 0 EHAERN Cc1ccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000190348130 1036227080 /nfs/dbraw/zinc/22/70/80/1036227080.db2.gz YXWJTFMNLIUXFG-UHFFFAOYSA-N 0 0 336.435 3.773 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1cccc2cccnc21 ZINC000190416748 1036238930 /nfs/dbraw/zinc/23/89/30/1036238930.db2.gz HOMLUSXBFBOOLA-SFHVURJKSA-N 0 0 347.418 3.866 10 0 EHAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CCc4cc(C)ccc43)C2)c1 ZINC000332833548 1036256050 /nfs/dbraw/zinc/25/60/50/1036256050.db2.gz WCOAQENEGJWNDL-IEBWSBKVSA-N 0 0 338.455 3.534 10 0 EHAERN CC[C@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCO1 ZINC000157743526 1036321546 /nfs/dbraw/zinc/32/15/46/1036321546.db2.gz MIDDEDWDACXDLU-RDJZCZTQSA-N 0 0 344.455 3.643 10 0 EHAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191208784 1036346458 /nfs/dbraw/zinc/34/64/58/1036346458.db2.gz NJVNPORFMPCTRB-OCCSQVGLSA-N 0 0 345.393 3.514 10 0 EHAERN CC(C)c1nnc(CN2CCC[C@@H](c3cc(F)ccc3F)C2)n1C ZINC000191672758 1036406616 /nfs/dbraw/zinc/40/66/16/1036406616.db2.gz IEOGXGCCWQOPQL-CYBMUJFWSA-N 0 0 334.414 3.596 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3cccc(Cl)c3C)CC2)nc1 ZINC000192595397 1036532827 /nfs/dbraw/zinc/53/28/27/1036532827.db2.gz JTVBAMLBUYBKFX-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN COc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1F ZINC000192705239 1036540139 /nfs/dbraw/zinc/54/01/39/1036540139.db2.gz BHUBGCMWJMAXIZ-INIZCTEOSA-N 0 0 347.777 3.750 10 0 EHAERN C[C@H](c1ccccc1)N(C)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193248900 1036584350 /nfs/dbraw/zinc/58/43/50/1036584350.db2.gz MYEVRKIJGREETP-PBHICJAKSA-N 0 0 337.423 3.515 10 0 EHAERN CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000193293835 1036585585 /nfs/dbraw/zinc/58/55/85/1036585585.db2.gz AEINCQJVQFURJG-RBUKOAKNSA-N 0 0 342.414 3.879 10 0 EHAERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000091232057 1036754352 /nfs/dbraw/zinc/75/43/52/1036754352.db2.gz MWAPVHQINUUHIL-XFQXTVEOSA-N 0 0 346.446 3.540 10 0 EHAERN Cc1cccc(N(CCC(N)=O)Cc2cc(F)cc3cccnc32)c1 ZINC000102844649 1036776011 /nfs/dbraw/zinc/77/60/11/1036776011.db2.gz USENHLFXALGRLZ-UHFFFAOYSA-N 0 0 337.398 3.564 10 0 EHAERN Cc1cccc(CNC(=O)NC2(c3ccc(F)cc3)CCCC2)n1 ZINC000103308719 1036957408 /nfs/dbraw/zinc/95/74/08/1036957408.db2.gz MVAVLPKWJVNXQY-UHFFFAOYSA-N 0 0 327.403 3.798 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c2ccccc2O1 ZINC000285483495 1037166906 /nfs/dbraw/zinc/16/69/06/1037166906.db2.gz QXEMHLBHIQMLQH-JZXOWHBKSA-N 0 0 344.455 3.642 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cccnc1SC(F)F ZINC000101525626 1037569102 /nfs/dbraw/zinc/56/91/02/1037569102.db2.gz PKMHXEJPSAQTCO-UHFFFAOYSA-N 0 0 348.334 3.699 10 0 EHAERN CC(C)(C)OC(=O)N1CCc2cccc(NCc3ccccn3)c2C1 ZINC000310636100 1037693469 /nfs/dbraw/zinc/69/34/69/1037693469.db2.gz CKERFWQKCLVIJL-UHFFFAOYSA-N 0 0 339.439 3.987 10 0 EHAERN CCCSCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218830 1037778863 /nfs/dbraw/zinc/77/88/63/1037778863.db2.gz JJZDREFDNMSMBJ-MRXNPFEDSA-N 0 0 343.496 3.926 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccncc3C)C2)cc1 ZINC000122050093 1037975782 /nfs/dbraw/zinc/97/57/82/1037975782.db2.gz HNLMTRAKZXZTGD-ZBFHGGJFSA-N 0 0 325.412 3.809 10 0 EHAERN COc1ccc(C[C@H](C)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000125103884 1038280148 /nfs/dbraw/zinc/28/01/48/1038280148.db2.gz BWVYEPSTIGSHSC-ZDUSSCGKSA-N 0 0 337.379 3.563 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151654348 1038781899 /nfs/dbraw/zinc/78/18/99/1038781899.db2.gz BJCWUPKLQSDTID-SJCJKPOMSA-N 0 0 338.835 3.508 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)o1 ZINC000332744042 1040097932 /nfs/dbraw/zinc/09/79/32/1040097932.db2.gz VJMYFIWIOXUVEP-VXGBXAGGSA-N 0 0 345.365 3.808 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C(C)C)C2)no1 ZINC000332787608 1040111456 /nfs/dbraw/zinc/11/14/56/1040111456.db2.gz WORUQZPIKVGOGM-BBWFWOEESA-N 0 0 348.491 3.557 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c2ccccc21 ZINC000153062310 1041798007 /nfs/dbraw/zinc/79/80/07/1041798007.db2.gz UPEJRQRBSWDVMU-RHMWYWNKSA-N 0 0 336.435 3.583 10 0 EHAERN O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408189851 1042319233 /nfs/dbraw/zinc/31/92/33/1042319233.db2.gz YLBBAFSSAPWJSG-OXQOHEQNSA-N 0 0 339.439 3.841 10 0 EHAERN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CC[C@H]4CCC[C@H]43)ccc12 ZINC000330257261 1042600762 /nfs/dbraw/zinc/60/07/62/1042600762.db2.gz QPDIFWOTTIPIHZ-DNVCBOLYSA-N 0 0 346.434 3.744 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000408216985 1042647811 /nfs/dbraw/zinc/64/78/11/1042647811.db2.gz XTLUNBOAKLIXBM-TUVASFSCSA-N 0 0 334.464 3.864 10 0 EHAERN CCOc1ccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162641594 1042744620 /nfs/dbraw/zinc/74/46/20/1042744620.db2.gz QQBWRGWKWMAWEQ-IFXJQAMLSA-N 0 0 336.439 3.952 10 0 EHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000330269412 1042764755 /nfs/dbraw/zinc/76/47/55/1042764755.db2.gz JGJGWHYCZIHPKZ-VQIMIIECSA-N 0 0 344.455 3.898 10 0 EHAERN CC(C)c1nc(C(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1cccc(F)c1 ZINC000330301186 1042863637 /nfs/dbraw/zinc/86/36/37/1042863637.db2.gz IXDWQCBGRICCQV-CJNGLKHVSA-N 0 0 342.418 3.544 10 0 EHAERN C[C@H]1C[C@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(C)(C)C1 ZINC000279138776 1043434099 /nfs/dbraw/zinc/43/40/99/1043434099.db2.gz ZAXWGUQAGRBAOY-JSGCOSHPSA-N 0 0 329.444 3.529 10 0 EHAERN COc1ccncc1NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000102248760 1127673929 /nfs/dbraw/zinc/67/39/29/1127673929.db2.gz WRQMTSIWZDCAJB-UHFFFAOYSA-N 0 0 349.228 3.769 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000105067864 1120314299 /nfs/dbraw/zinc/31/42/99/1120314299.db2.gz MXCXTJMZQOPCLQ-CYBMUJFWSA-N 0 0 348.393 3.919 10 0 EHAERN Cn1cnc(-c2cccc(NC(=O)C/C=C\c3ccc(F)cc3)c2)n1 ZINC000588424201 1129445756 /nfs/dbraw/zinc/44/57/56/1129445756.db2.gz QPHMLABTTQSJTD-RQOWECAXSA-N 0 0 336.370 3.663 10 0 EHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000103745349 1132798577 /nfs/dbraw/zinc/79/85/77/1132798577.db2.gz STWFISFHQCFJIV-IINYFYTJSA-N 0 0 329.787 3.582 10 0 EHAERN COCCCCOC(=O)C(C)(C)c1cccc(Br)c1 ZINC000103335007 1132817574 /nfs/dbraw/zinc/81/75/74/1132817574.db2.gz ZZYZHYCDHTYNRL-UHFFFAOYSA-N 0 0 329.234 3.697 10 0 EHAERN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)OCC1CC1 ZINC000103331968 1132825701 /nfs/dbraw/zinc/82/57/01/1132825701.db2.gz MXWPMXWRWSIHQW-UHFFFAOYSA-N 0 0 337.828 3.871 10 0 EHAERN O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1cccnc1Cl ZINC000103813314 1133557626 /nfs/dbraw/zinc/55/76/26/1133557626.db2.gz GJJXSZGGAIWFHS-UHFFFAOYSA-N 0 0 345.704 3.920 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000101635896 1135363943 /nfs/dbraw/zinc/36/39/43/1135363943.db2.gz XWAXHVNAEUXZMH-UHFFFAOYSA-N 0 0 331.778 3.557 10 0 EHAERN CCc1ccccc1OC(=O)CCN(Cc1ccccc1)C(C)=O ZINC000102116992 1135454075 /nfs/dbraw/zinc/45/40/75/1135454075.db2.gz MNDTXSQUMOZDRS-UHFFFAOYSA-N 0 0 325.408 3.593 10 0 EHAERN CCC[C@@H](C)CC(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000102141742 1135464371 /nfs/dbraw/zinc/46/43/71/1135464371.db2.gz KIINXSAQNNRVSD-ZBFHGGJFSA-N 0 0 335.444 3.810 10 0 EHAERN Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)C[C@@H]1CCCO1 ZINC000102769943 1135646233 /nfs/dbraw/zinc/64/62/33/1135646233.db2.gz RZBURWPKVXZBPZ-INIZCTEOSA-N 0 0 333.863 3.504 10 0 EHAERN FC(F)(F)COc1ccc(NCc2nc(-c3ccoc3)no2)cc1 ZINC000105606457 1135957465 /nfs/dbraw/zinc/95/74/65/1135957465.db2.gz UVKPXXUHWXESBD-UHFFFAOYSA-N 0 0 339.273 3.883 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000102378943 1137872904 /nfs/dbraw/zinc/87/29/04/1137872904.db2.gz TWUJUXBQNZAJQF-UHFFFAOYSA-N 0 0 332.831 3.772 10 0 EHAERN CCC(CC)N(CCOC)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000102953966 1137874594 /nfs/dbraw/zinc/87/45/94/1137874594.db2.gz ATQLUKAJQFOVME-UHFFFAOYSA-N 0 0 346.431 3.714 10 0 EHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000102984795 1137874681 /nfs/dbraw/zinc/87/46/81/1137874681.db2.gz SFUMGCJOVASAIB-ZDUSSCGKSA-N 0 0 344.842 3.875 10 0 EHAERN Cc1[nH]c(=S)sc1CC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128775 1137875313 /nfs/dbraw/zinc/87/53/13/1137875313.db2.gz MAMOAXVWNGZYOU-UHFFFAOYSA-N 0 0 345.493 3.805 10 0 EHAERN Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(C)n1 ZINC000333190721 1137957761 /nfs/dbraw/zinc/95/77/61/1137957761.db2.gz OCFQJEUPCOPDQI-AWEZNQCLSA-N 0 0 343.431 3.882 10 0 EHAERN C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3CCC2(C)C)c2nccn21 ZINC000333215205 1137958379 /nfs/dbraw/zinc/95/83/79/1137958379.db2.gz KXCGVGFLSPWZCE-COXVUDFISA-N 0 0 338.455 3.902 10 0 EHAERN CC1(C)OCC[C@H]1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333243981 1137959189 /nfs/dbraw/zinc/95/91/89/1137959189.db2.gz QOPNYSMYURSGMU-DOTOQJQBSA-N 0 0 344.455 3.690 10 0 EHAERN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCCC[C@H]2c2ncon2)cc1 ZINC000333322018 1138276808 /nfs/dbraw/zinc/27/68/08/1138276808.db2.gz UQKDMCDIEXBLHS-BBWFWOEESA-N 0 0 325.412 3.625 10 0 EHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc1 ZINC000333364531 1138281330 /nfs/dbraw/zinc/28/13/30/1138281330.db2.gz VBIFSSLHJDTZFR-HFTRVMKXSA-N 0 0 341.455 3.717 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2cccc(F)c2)cs1 ZINC000186055563 1140184437 /nfs/dbraw/zinc/18/44/37/1140184437.db2.gz SYZCQOZODWKVFW-INIZCTEOSA-N 0 0 333.432 3.680 10 0 EHAERN Cc1oc2ccc(NC(=O)N3CCCC[C@H]3c3nc[nH]n3)cc2c1C ZINC000186485924 1140206345 /nfs/dbraw/zinc/20/63/45/1140206345.db2.gz LGKWOZXDSXMIJQ-HNNXBMFYSA-N 0 0 339.399 3.927 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2cc(C)ccc2F)cs1 ZINC000187028389 1140233113 /nfs/dbraw/zinc/23/31/13/1140233113.db2.gz QGBVBLQZRATTJN-HNNXBMFYSA-N 0 0 334.416 3.642 10 0 EHAERN COC[C@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccccc1 ZINC000187353134 1140251225 /nfs/dbraw/zinc/25/12/25/1140251225.db2.gz WDLULHKUUOJJIT-RDJZCZTQSA-N 0 0 345.468 3.686 10 0 EHAERN CCCCOc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190145656 1140389596 /nfs/dbraw/zinc/38/95/96/1140389596.db2.gz YEOGITUHWYHWRH-ZWKOTPCHSA-N 0 0 345.443 3.519 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)Cc2ccc(O)cc2)cs1 ZINC000190409705 1140402261 /nfs/dbraw/zinc/40/22/61/1140402261.db2.gz XBSNUUUVTSPNMK-PXAZEXFGSA-N 0 0 345.468 3.635 10 0 EHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)COc2ccccc2O)cc1 ZINC000097629406 219041653 /nfs/dbraw/zinc/04/16/53/219041653.db2.gz PFHTZBHWCUZWLJ-OAHLLOKOSA-N 0 0 327.424 3.847 10 0 EHAERN Cc1cc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n(C)n1 ZINC000052310974 214126038 /nfs/dbraw/zinc/12/60/38/214126038.db2.gz RYQRTIHKVPIAFF-JTQLQIEISA-N 0 0 339.258 3.855 10 0 EHAERN COc1ccc(-c2noc(-c3nc(-c4cccs4)oc3N)n2)cc1 ZINC000053993883 214209347 /nfs/dbraw/zinc/20/93/47/214209347.db2.gz XKJCPVXROCFXFX-UHFFFAOYSA-N 0 0 340.364 3.711 10 0 EHAERN Cc1nn(Cc2ccc(Br)cc2F)c(C)c1[C@H](C)O ZINC000054723268 214253052 /nfs/dbraw/zinc/25/30/52/214253052.db2.gz MOHBKCIHKCQLKO-JTQLQIEISA-N 0 0 327.197 3.503 10 0 EHAERN COCc1cc(Cl)nc(Nc2cccc(Br)c2)n1 ZINC000057343556 214419983 /nfs/dbraw/zinc/41/99/83/214419983.db2.gz NQGJVEPOWWLVEL-UHFFFAOYSA-N 0 0 328.597 3.783 10 0 EHAERN Oc1ccc([C@H]2N=C(c3ccncc3)C(c3ccc(F)cc3)=N2)cc1 ZINC000100238951 219095103 /nfs/dbraw/zinc/09/51/03/219095103.db2.gz JDHBYZUNDSIDFC-HXUWFJFHSA-N 0 0 331.350 3.917 10 0 EHAERN COc1ccccc1NC(=O)CSc1nc(C)nc2ccccc21 ZINC000004241431 210149466 /nfs/dbraw/zinc/14/94/66/210149466.db2.gz XVPIQNJENZUCIQ-UHFFFAOYSA-N 0 0 339.420 3.678 10 0 EHAERN CCS[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000102309009 219193813 /nfs/dbraw/zinc/19/38/13/219193813.db2.gz BPVYWOVEBUDBQF-SNVBAGLBSA-N 0 0 337.750 3.744 10 0 EHAERN Cc1nn([C@@H](C)c2nc3ccccc3s2)c(N)c1Br ZINC000043668285 213591276 /nfs/dbraw/zinc/59/12/76/213591276.db2.gz MFLKKKMOTSGJOD-QMMMGPOBSA-N 0 0 337.246 3.755 10 0 EHAERN C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Br)c(N)c1 ZINC000042828657 213537109 /nfs/dbraw/zinc/53/71/09/213537109.db2.gz FRQKPGKDKHIKNI-ZYHUDNBSSA-N 0 0 325.250 3.587 10 0 EHAERN CC[C@H](NCc1c(C)n(CC(C)C)c2ccccc12)c1ncnn1C ZINC000067741195 215200913 /nfs/dbraw/zinc/20/09/13/215200913.db2.gz GDBBDRBHZHGNDG-SFHVURJKSA-N 0 0 339.487 3.975 10 0 EHAERN CCCCn1cc(C2=CCN(Cc3cn4cc(C)ccc4n3)CC2)cn1 ZINC000067790049 215213725 /nfs/dbraw/zinc/21/37/25/215213725.db2.gz AUKFAQXIJCBITR-UHFFFAOYSA-N 0 0 349.482 3.929 10 0 EHAERN COC(=O)[C@]1(Nc2cccc(Br)c2)CCC[C@H](C)C1 ZINC000104178310 219355904 /nfs/dbraw/zinc/35/59/04/219355904.db2.gz DMIPETKKLKTYLZ-NHYWBVRUSA-N 0 0 326.234 3.983 10 0 EHAERN [NH3+][C@@H](c1cnn(-c2ccccc2)c1)c1sccc1Br ZINC000104300182 219371589 /nfs/dbraw/zinc/37/15/89/219371589.db2.gz SGRSEIVVQSCAMR-ZDUSSCGKSA-N 0 0 334.242 3.744 10 0 EHAERN Cc1ccc(-c2ccc(OCC(=O)Nc3nncs3)cc2)cc1 ZINC000040881517 213397982 /nfs/dbraw/zinc/39/79/82/213397982.db2.gz TWKGCHSUMLTAIG-UHFFFAOYSA-N 0 0 325.393 3.531 10 0 EHAERN COCc1nnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)s1 ZINC000040868192 213396459 /nfs/dbraw/zinc/39/64/59/213396459.db2.gz DYYZAEUNYVDJGC-HWKANZROSA-N 0 0 344.223 3.643 10 0 EHAERN Cc1nc(Nc2ncnc(Oc3ccc(C)cc3)c2N)sc1C ZINC000040783111 213387069 /nfs/dbraw/zinc/38/70/69/213387069.db2.gz WMCOIJQOKVAFQG-UHFFFAOYSA-N 0 0 327.413 3.976 10 0 EHAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1N1CCCCCC1 ZINC000040725557 213376707 /nfs/dbraw/zinc/37/67/07/213376707.db2.gz HMSOCVLKILSZPY-UHFFFAOYSA-N 0 0 331.851 3.705 10 0 EHAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040709369 213373289 /nfs/dbraw/zinc/37/32/89/213373289.db2.gz WADCVRCKAKUEHU-UHFFFAOYSA-N 0 0 327.338 3.693 10 0 EHAERN CCc1ccccc1Nc1ncnc(-n2cnc3ccccc32)c1N ZINC000040688378 213369523 /nfs/dbraw/zinc/36/95/23/213369523.db2.gz QSVZZAOPFWLGDV-UHFFFAOYSA-N 0 0 330.395 3.704 10 0 EHAERN Cc1cccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)n1 ZINC000040685394 213369278 /nfs/dbraw/zinc/36/92/78/213369278.db2.gz BTAGNFPAPVQCGL-UHFFFAOYSA-N 0 0 328.464 3.624 10 0 EHAERN C[NH+](C)CCCn1c2ccc(C(=O)[O-])cc2nc1C1CCCCC1 ZINC000040404107 213298752 /nfs/dbraw/zinc/29/87/52/213298752.db2.gz ZOSOPXJICHLZMO-UHFFFAOYSA-N 0 0 329.444 3.734 10 0 EHAERN CCOCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000040211844 213281703 /nfs/dbraw/zinc/28/17/03/213281703.db2.gz RQBBTAWRTJIVKS-UHFFFAOYSA-N 0 0 345.487 3.558 10 0 EHAERN COc1c(C)c2sc(NC(=O)c3cccnc3)nc2c(C)c1C ZINC000039127772 213231474 /nfs/dbraw/zinc/23/14/74/213231474.db2.gz LFEMGJZYGUPYGJ-UHFFFAOYSA-N 0 0 327.409 3.877 10 0 EHAERN CCOc1cc2c(cc1OCC)[C@@H](c1cnc3ccccc3n1)NCC2 ZINC000038805247 213227130 /nfs/dbraw/zinc/22/71/30/213227130.db2.gz DFUYBJQLDUANLT-NRFANRHFSA-N 0 0 349.434 3.662 10 0 EHAERN COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O ZINC000038298163 213208068 /nfs/dbraw/zinc/20/80/68/213208068.db2.gz DZWMMLDTYCTYBC-UHFFFAOYSA-N 0 0 346.184 3.850 10 0 EHAERN Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000038033799 213193985 /nfs/dbraw/zinc/19/39/85/213193985.db2.gz VKRAIKRGRFSLIK-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN Nc1ccc(-c2nccn2Cc2cccc(Br)c2)cc1 ZINC000037974174 213179080 /nfs/dbraw/zinc/17/90/80/213179080.db2.gz NZEWRPBQCXJPTQ-UHFFFAOYSA-N 0 0 328.213 3.943 10 0 EHAERN CC[C@@H](C)C[C@](CC)(Nc1ccc(Br)cc1)C(N)=O ZINC000037944189 213175198 /nfs/dbraw/zinc/17/51/98/213175198.db2.gz CLMFHQDVFTZPSW-ABAIWWIYSA-N 0 0 327.266 3.931 10 0 EHAERN Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1nc(C(C)C)no1 ZINC000069896995 215624313 /nfs/dbraw/zinc/62/43/13/215624313.db2.gz ZQGQFQALDIXHBK-UHFFFAOYSA-N 0 0 345.378 3.778 10 0 EHAERN CCCCCN(C)CC(=O)c1ccc(OC)c(Br)c1 ZINC000037336751 213140267 /nfs/dbraw/zinc/14/02/67/213140267.db2.gz AQRDLCJHSAYZAO-UHFFFAOYSA-N 0 0 328.250 3.762 10 0 EHAERN CC[C@H](C)[C@@H](N[C@@H](C)c1ccccc1Br)C(=O)OC ZINC000037103074 213132613 /nfs/dbraw/zinc/13/26/13/213132613.db2.gz JWDZUDHDLNCWCX-COPLHBTASA-N 0 0 328.250 3.687 10 0 EHAERN COC(=O)c1sc(-c2ccc(Br)cc2F)cc1N ZINC000036929250 213126001 /nfs/dbraw/zinc/12/60/01/213126001.db2.gz LOFSJKGMVUGNMT-UHFFFAOYSA-N 0 0 330.178 3.686 10 0 EHAERN COCCOc1ccc(-c2cn3nc(SC(C)C)ccc3n2)cc1 ZINC000036377851 213091920 /nfs/dbraw/zinc/09/19/20/213091920.db2.gz HUANCFZTINBOBD-UHFFFAOYSA-N 0 0 343.452 3.922 10 0 EHAERN O=C1C(=Cc2ccccc2OC(F)F)NC(=S)N1c1ccccc1 ZINC000035668339 213045070 /nfs/dbraw/zinc/04/50/70/213045070.db2.gz GGNIIMANEPVLRR-JLHYYAGUSA-N 0 0 346.358 3.550 10 0 EHAERN COc1ccc(C(=O)c2ccc(Br)cc2F)cc1F ZINC000035423854 213027810 /nfs/dbraw/zinc/02/78/10/213027810.db2.gz RSOOASZMGCFAEB-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN Nc1cccc(OCc2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)c1 ZINC000072236693 216076301 /nfs/dbraw/zinc/07/63/01/216076301.db2.gz KKCJLQBISPBDBH-UHFFFAOYSA-N 0 0 334.301 3.652 10 0 EHAERN CC[C@@H]1c2cccn2CCN1C(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000072407413 216198598 /nfs/dbraw/zinc/19/85/98/216198598.db2.gz XBFSDIPAMPXEJI-MRXNPFEDSA-N 0 0 338.386 3.624 10 0 EHAERN COc1cccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000072414899 216205416 /nfs/dbraw/zinc/20/54/16/216205416.db2.gz LDGMKJJZYJOPSG-MRXNPFEDSA-N 0 0 345.855 3.743 10 0 EHAERN Cc1nn2c(nc(C)cc2N[C@@H](c2ccccn2)C(F)(F)F)c1C ZINC000072429276 216219961 /nfs/dbraw/zinc/21/99/61/216219961.db2.gz HBVZHJDYQNUWAX-AWEZNQCLSA-N 0 0 335.333 3.765 10 0 EHAERN COCc1nn2cc3c(nc2c1-c1ccccc1)CC(C)(C)CC3=O ZINC000072464065 216246761 /nfs/dbraw/zinc/24/67/61/216246761.db2.gz ZSMOQLKTAPYIFM-UHFFFAOYSA-N 0 0 335.407 3.698 10 0 EHAERN C[C@H](Nc1ccc(C(N)=O)cc1)c1ccc(Br)s1 ZINC000038001695 213186408 /nfs/dbraw/zinc/18/64/08/213186408.db2.gz MEZYXKOOUJMGCI-QMMMGPOBSA-N 0 0 325.231 3.783 10 0 EHAERN O=C([O-])[C@H](c1ccc(F)c(Br)c1)[NH+]1CCCCCC1 ZINC000038086467 213200654 /nfs/dbraw/zinc/20/06/54/213200654.db2.gz KYQDNHIFLMOCPI-ZDUSSCGKSA-N 0 0 330.197 3.590 10 0 EHAERN Cc1ncc(N)cc1C(=O)Nc1ccc(Br)cc1Cl ZINC000038095067 213200741 /nfs/dbraw/zinc/20/07/41/213200741.db2.gz YOPPRVFDFFBGTO-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN CCc1ccc2nc(-c3cncnc3)cc(C(=O)NC3CCCC3)c2c1 ZINC000023145679 212356008 /nfs/dbraw/zinc/35/60/08/212356008.db2.gz XROGLVDCPAYQJE-UHFFFAOYSA-N 0 0 346.434 3.927 10 0 EHAERN CCn1ncc(CN(C)Cc2cc(Cl)c(OC)cc2OC)c1C ZINC000215796948 241148942 /nfs/dbraw/zinc/14/89/42/241148942.db2.gz OCRPGCKHLVRBRD-UHFFFAOYSA-N 0 0 337.851 3.514 10 0 EHAERN CC(=O)c1cccc(-c2ccc(O)c(I)c2)c1 ZINC000021987067 212268688 /nfs/dbraw/zinc/26/86/88/212268688.db2.gz IKGHONGKLWNTNG-UHFFFAOYSA-N 0 0 338.144 3.866 10 0 EHAERN CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 ZINC000021289037 212217919 /nfs/dbraw/zinc/21/79/19/212217919.db2.gz FKFFXIBNVYSRTJ-UHFFFAOYSA-N 0 0 344.216 3.597 10 0 EHAERN Nc1cc(N)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000021004729 212198975 /nfs/dbraw/zinc/19/89/75/212198975.db2.gz PMJLYYIWUOGCNR-UHFFFAOYSA-N 0 0 344.374 3.912 10 0 EHAERN CSCC(=O)N(Cc1ccccn1)[C@@H]1CCCc2ccccc21 ZINC000020419522 212127567 /nfs/dbraw/zinc/12/75/67/212127567.db2.gz OOPHFUUHKGKWMB-GOSISDBHSA-N 0 0 326.465 3.851 10 0 EHAERN Cc1cccc(NC(=S)N(Cc2cccnc2)C[C@H]2CCCO2)c1 ZINC000020408317 212127292 /nfs/dbraw/zinc/12/72/92/212127292.db2.gz NTLCHLIKRBKFHC-GOSISDBHSA-N 0 0 341.480 3.768 10 0 EHAERN O=C(CNc1ccc(F)cc1F)Nc1cccc(Br)c1 ZINC000020053311 212098992 /nfs/dbraw/zinc/09/89/92/212098992.db2.gz WPSPOALWMQQSRU-UHFFFAOYSA-N 0 0 341.155 3.778 10 0 EHAERN CC1(C)CO[C@H](c2ccccc2)CN1CC[S@@](=O)c1ccccc1 ZINC000078516343 217067630 /nfs/dbraw/zinc/06/76/30/217067630.db2.gz QTOWWCYDVQQUKD-CYFREDJKSA-N 0 0 343.492 3.646 10 0 EHAERN C[C@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@H](C)O1 ZINC000017324597 211965470 /nfs/dbraw/zinc/96/54/70/211965470.db2.gz RZOWFQUNLCMVOL-STQMWFEESA-N 0 0 327.449 3.763 10 0 EHAERN CCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2 ZINC000078982004 217164235 /nfs/dbraw/zinc/16/42/35/217164235.db2.gz BBFHQJSVPLHZGF-UHFFFAOYSA-N 0 0 329.419 3.784 10 0 EHAERN O=C(CC1=CCCCC1)NC[C@H]1CC(Cc2cccc(F)c2)=NO1 ZINC000012281628 211333776 /nfs/dbraw/zinc/33/37/76/211333776.db2.gz HYBNSPGAEYOKSX-GOSISDBHSA-N 0 0 330.403 3.520 10 0 EHAERN COc1ccc(-c2c3c(N)ncnc3nc(C)c2C(C)C)cc1OC ZINC000009694659 211116864 /nfs/dbraw/zinc/11/68/64/211116864.db2.gz KYYPVOYEXDHBAV-UHFFFAOYSA-N 0 0 338.411 3.723 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](COc2nc3ccccc3s2)C1 ZINC000095084119 218276096 /nfs/dbraw/zinc/27/60/96/218276096.db2.gz RMFJXABRSZOTKB-LBPRGKRZSA-N 0 0 334.441 3.932 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2cc(Cl)ncn2)C1 ZINC000095085152 218276315 /nfs/dbraw/zinc/27/63/15/218276315.db2.gz IMNVGELGEBKGMK-GFCCVEGCSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOCc2cncs2)C1 ZINC000095085210 218276673 /nfs/dbraw/zinc/27/66/73/218276673.db2.gz CLWGRAODWKAYFF-CYBMUJFWSA-N 0 0 326.462 3.697 10 0 EHAERN OC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccccc1F ZINC000095078510 218273629 /nfs/dbraw/zinc/27/36/29/218273629.db2.gz JZOXMSNXBGNUCP-INIZCTEOSA-N 0 0 339.414 3.575 10 0 EHAERN Cc1ccccc1Cn1c2ccccc2nc1N1CCC[C@@H](CO)C1 ZINC000095090259 218280100 /nfs/dbraw/zinc/28/01/00/218280100.db2.gz YCFBBNPSJAKZOB-QGZVFWFLSA-N 0 0 335.451 3.602 10 0 EHAERN Cc1ccccc1Cn1c2ccccc2nc1N1CCC[C@H](CO)C1 ZINC000095090258 218280191 /nfs/dbraw/zinc/28/01/91/218280191.db2.gz YCFBBNPSJAKZOB-KRWDZBQOSA-N 0 0 335.451 3.602 10 0 EHAERN COCc1ccc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)o1 ZINC000097428323 219023329 /nfs/dbraw/zinc/02/33/29/219023329.db2.gz UAXSVYNHKXFWLI-UHFFFAOYSA-N 0 0 343.423 3.726 10 0 EHAERN O=C(Nc1ccc(C(F)(F)F)n(CC2CC2)c1=O)c1ccccc1 ZINC000045955348 258003793 /nfs/dbraw/zinc/00/37/93/258003793.db2.gz PMAQNHYFICYEMU-UHFFFAOYSA-N 0 0 336.313 3.529 10 0 EHAERN Cc1cc2c(ncnc2N[C@H]2CCCO[C@@H]2c2ccncc2)s1 ZINC000299744429 258008771 /nfs/dbraw/zinc/00/87/71/258008771.db2.gz OTLLBYAPBRANAI-LSDHHAIUSA-N 0 0 326.425 3.727 10 0 EHAERN CC[C@H]1CO[C@@H](C)CN1c1ccc([C@@H](C)O)cc1Br ZINC000061695975 132805276 /nfs/dbraw/zinc/80/52/76/132805276.db2.gz VDJAIVBMPPAUND-LOWVWBTDSA-N 0 0 328.250 3.506 10 0 EHAERN CN1c2cc(Cl)ccc2OC[C@@H]1CC(=O)NCCC1=CCCCC1 ZINC000064663691 132806513 /nfs/dbraw/zinc/80/65/13/132806513.db2.gz SOOIDGICEFALMJ-INIZCTEOSA-N 0 0 348.874 3.934 10 0 EHAERN C[C@@H](CC(=O)Nc1ccccc1OC1CCCC1)N1CCCCC1=O ZINC000188672688 524388326 /nfs/dbraw/zinc/38/83/26/524388326.db2.gz OSYXYNZHVRTMTI-HNNXBMFYSA-N 0 0 344.455 3.738 10 0 EHAERN CC(C)C(=O)[C@@H]1CCCN(c2ccc(F)cc2Br)C1=O ZINC000536951563 564091727 /nfs/dbraw/zinc/09/17/27/564091727.db2.gz WPAAOPLGGSJFCZ-NSHDSACASA-N 0 0 342.208 3.556 10 0 EHAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004722072 560199786 /nfs/dbraw/zinc/19/97/86/560199786.db2.gz GGRVPLDBVRRQSR-NWIHUDFTSA-N 0 0 334.500 3.568 10 0 in-vitro EHAERN CCOc1nc(-c2ccco2)n(-c2cccc(NC(=O)C(C)C)c2)n1 ZINC000006776034 563585991 /nfs/dbraw/zinc/58/59/91/563585991.db2.gz QHPJYAFRHVREFU-UHFFFAOYSA-N 0 0 340.383 3.521 10 0 EHAERN CC[C@@H](C)c1nc2[nH]cc(I)c2c(Cl)n1 ZINC000584881048 563879109 /nfs/dbraw/zinc/87/91/09/563879109.db2.gz KPMMKTMPLNWHOL-RXMQYKEDSA-N 0 0 335.576 3.681 10 0 EHAERN Cc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc2c(C)cc(=O)oc2c1 ZINC000065466616 563961252 /nfs/dbraw/zinc/96/12/52/563961252.db2.gz OQOJJJCLIIEJMQ-AWEZNQCLSA-N 0 0 335.359 3.590 10 0 EHAERN Brc1ccc(Cc2cc(Br)ncn2)cc1 ZINC000409427937 563962054 /nfs/dbraw/zinc/96/20/54/563962054.db2.gz DASOMSSCPZMCLH-UHFFFAOYSA-N 0 0 328.007 3.592 10 0 EHAERN Cc1ccccc1N1C(=O)CN(Cc2c[nH]c3ccccc23)C[C@H]1C ZINC000015003758 564052225 /nfs/dbraw/zinc/05/22/25/564052225.db2.gz IHLFWNXFGCFJQU-MRXNPFEDSA-N 0 0 333.435 3.714 10 0 EHAERN Cc1cc(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)o1 ZINC000328639646 564056056 /nfs/dbraw/zinc/05/60/56/564056056.db2.gz WXOZWEBFYIUNFH-MRXNPFEDSA-N 0 0 333.432 3.660 10 0 EHAERN O=C(Nc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1 ZINC000398392413 564056331 /nfs/dbraw/zinc/05/63/31/564056331.db2.gz RGQTVDXFQDZHSL-UHFFFAOYSA-N 0 0 331.173 3.969 10 0 EHAERN Cc1nnc2ccc(C(=O)N3CC(C)(C)Sc4ccccc43)cn12 ZINC000088241349 564078691 /nfs/dbraw/zinc/07/86/91/564078691.db2.gz AKNFHZHZWXSBDX-UHFFFAOYSA-N 0 0 338.436 3.569 10 0 EHAERN C=COc1cc2c(cc1Br)CC[C@H]2CCNC(=O)CC ZINC000065734144 564134374 /nfs/dbraw/zinc/13/43/74/564134374.db2.gz WWFFHGDWYBLXHO-NSHDSACASA-N 0 0 338.245 3.918 10 0 in-vitro EHAERN O=C1NC(=S)NC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000003213245 564156059 /nfs/dbraw/zinc/15/60/59/564156059.db2.gz FYXULBBAJZXNDR-WDZFZDKYSA-N 0 0 339.203 3.599 10 0 EHAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1cscc1Br ZINC000405618011 564177600 /nfs/dbraw/zinc/17/76/00/564177600.db2.gz NJABGVCAPCLIJC-SSDOTTSWSA-N 0 0 334.235 3.607 10 0 EHAERN CC(C)(C)OC(=O)NCCC(=O)c1sccc1Br ZINC000405597446 564177608 /nfs/dbraw/zinc/17/76/08/564177608.db2.gz LHGBDTMJLXJXEW-UHFFFAOYSA-N 0 0 334.235 3.608 10 0 EHAERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccc(OCc2ccccc2)cc1 ZINC000381730531 564177712 /nfs/dbraw/zinc/17/77/12/564177712.db2.gz UTGIXLZEJWRNSI-ZWKOTPCHSA-N 0 0 332.783 3.619 10 0 EHAERN CSCCCCCCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000182202753 1032077528 /nfs/dbraw/zinc/07/75/28/1032077528.db2.gz CNDFEXCEUUPIRX-AWEZNQCLSA-N 0 0 341.546 3.956 10 0 EHAERN COC(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1F ZINC000182320627 1032089669 /nfs/dbraw/zinc/08/96/69/1032089669.db2.gz UYRKRXCFTMWVHL-QFYYESIMSA-N 0 0 344.342 3.507 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000710607052 977515184 /nfs/dbraw/zinc/51/51/84/977515184.db2.gz IZVXQPNSMXKFSR-OSMZGAPFSA-N 0 0 338.245 3.673 10 0 EHAERN C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Br)c2)C[C@H]1CC(=O)[O-] ZINC000722645605 978158344 /nfs/dbraw/zinc/15/83/44/978158344.db2.gz ONTLKRBBMZULDP-MWLCHTKSSA-N 0 0 346.652 3.645 10 0 EHAERN Cc1ccc2c(c1)[C@H](Nc1cccc(NS(C)(=O)=O)c1)CCCO2 ZINC000182767741 1032128407 /nfs/dbraw/zinc/12/84/07/1032128407.db2.gz FUWFSHTWKSHKBR-QGZVFWFLSA-N 0 0 346.452 3.692 10 0 EHAERN C[C@@H]1CCc2nc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)sc2C1 ZINC000407993667 1016778354 /nfs/dbraw/zinc/77/83/54/1016778354.db2.gz QUNWUMKRLMAAIF-DGCLKSJQSA-N 0 0 345.472 3.750 10 0 EHAERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)o1 ZINC000407994079 1016778927 /nfs/dbraw/zinc/77/89/27/1016778927.db2.gz ZXLKYBRVNQGTIS-CYGHRXIMSA-N 0 0 344.455 3.782 10 0 EHAERN c1cc2ncnc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)c2s1 ZINC000275557426 1017040863 /nfs/dbraw/zinc/04/08/63/1017040863.db2.gz HYFLASAVJPOBDV-AWEZNQCLSA-N 0 0 325.441 3.635 10 0 EHAERN Cn1c2cc(N[C@@H]3CC4(CCC4)Oc4ccccc43)ccc2oc1=O ZINC000183075414 1032159663 /nfs/dbraw/zinc/15/96/63/1032159663.db2.gz XRNBWCUNHQHWMY-OAHLLOKOSA-N 0 0 336.391 3.990 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccncc3F)C2)cc1 ZINC000184148251 1032259409 /nfs/dbraw/zinc/25/94/09/1032259409.db2.gz GFCWFMRUPXUEPH-GXTWGEPZSA-N 0 0 329.375 3.639 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1)c1ccncc1 ZINC000184391433 1032289187 /nfs/dbraw/zinc/28/91/87/1032289187.db2.gz ANWOTMFMABHQLE-TZMCWYRMSA-N 0 0 331.366 3.620 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)CCC2CCCC2)c2ccc(F)cc2C1 ZINC000185533996 1032440499 /nfs/dbraw/zinc/44/04/99/1032440499.db2.gz CWNFQFZJZVHUMK-LJQANCHMSA-N 0 0 346.446 3.706 10 0 EHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000089400001 1032528449 /nfs/dbraw/zinc/52/84/49/1032528449.db2.gz YHGNVMFUAPTSQB-LRDDRELGSA-N 0 0 344.480 3.578 10 0 EHAERN CC[C@]1(C)CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000081319957 1032535596 /nfs/dbraw/zinc/53/55/96/1032535596.db2.gz UYWGNJAANWLDCO-LJQANCHMSA-N 0 0 348.512 3.639 10 0 EHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C=O)cc1)CCC2 ZINC000119050736 1032553633 /nfs/dbraw/zinc/55/36/33/1032553633.db2.gz KQIGLLHJFDGZKG-OAHLLOKOSA-N 0 0 328.437 3.668 10 0 EHAERN C[C@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000079264937 1018139071 /nfs/dbraw/zinc/13/90/71/1018139071.db2.gz CNMCQPZGODFGAZ-IJEWVQPXSA-N 0 0 332.444 3.739 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(F)c1F ZINC000114575069 1018615272 /nfs/dbraw/zinc/61/52/72/1018615272.db2.gz WAAYPMWMRZAMKX-CQSZACIVSA-N 0 0 334.370 3.684 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc3nnc(C(F)F)n3n2)o1 ZINC000092659005 1032807056 /nfs/dbraw/zinc/80/70/56/1032807056.db2.gz XJUZGHCOOQCKBP-JQWIXIFHSA-N 0 0 347.369 3.941 10 0 EHAERN Cc1nccn1-c1ccc([C@H](C)NC(=O)COC2CCCCC2)cc1 ZINC000119348065 1032899651 /nfs/dbraw/zinc/89/96/51/1032899651.db2.gz JLWWOYTZKJYAGB-HNNXBMFYSA-N 0 0 341.455 3.707 10 0 EHAERN CSC1(CNC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)CC1 ZINC000588610807 1032954744 /nfs/dbraw/zinc/95/47/44/1032954744.db2.gz LQBJXMJJZAMLBY-SREVYHEPSA-N 0 0 332.856 3.913 10 0 EHAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1 ZINC000246494300 1021132514 /nfs/dbraw/zinc/13/25/14/1021132514.db2.gz ZSDIDBFOCJVLOU-QGPMSJSTSA-N 0 0 349.496 3.662 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000246499131 1021135284 /nfs/dbraw/zinc/13/52/84/1021135284.db2.gz PUMOXQVOPAGGCR-HACGYAERSA-N 0 0 327.428 3.756 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2ccc3c(n2)CCCC3=O)CC12CCC2 ZINC000333697850 1021239167 /nfs/dbraw/zinc/23/91/67/1021239167.db2.gz REEJMMYDLTZCKU-CYBMUJFWSA-N 0 0 327.428 3.645 10 0 EHAERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000334094338 1022141139 /nfs/dbraw/zinc/14/11/39/1022141139.db2.gz QGOPAYWYOBFTHP-YESZJQIVSA-N 0 0 330.476 3.863 10 0 EHAERN C[C@H](CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000588434408 1022160792 /nfs/dbraw/zinc/16/07/92/1022160792.db2.gz IZELFIKPHAMGKH-WHLNPGIBSA-N 0 0 338.492 3.790 10 0 EHAERN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000333719481 1022198393 /nfs/dbraw/zinc/19/83/93/1022198393.db2.gz NRKIBAIZGVAYQL-BDJLRTHQSA-N 0 0 346.381 3.772 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128029816 1022406049 /nfs/dbraw/zinc/40/60/49/1022406049.db2.gz WZPDPPUAUHPWPH-MLGOLLRUSA-N 0 0 345.336 3.612 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128208745 1022419290 /nfs/dbraw/zinc/41/92/90/1022419290.db2.gz WYYQAEZQKGBTLQ-WBMJQRKESA-N 0 0 342.361 3.864 10 0 EHAERN COc1ccc(OC)c(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 ZINC000333863552 1022440659 /nfs/dbraw/zinc/44/06/59/1022440659.db2.gz SFZXNXUXKYTAGS-IZSNYMMISA-N 0 0 330.428 3.604 10 0 EHAERN Cc1c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(Cl)s2)cnn1C ZINC000049272852 1022451010 /nfs/dbraw/zinc/45/10/10/1022451010.db2.gz LBIOJLUHBVKIOV-BDAKNGLRSA-N 0 0 326.853 3.565 10 0 EHAERN O=C(c1cc(Br)cnc1Cl)N1CCC2(CC2)CC1 ZINC000366688023 1022452592 /nfs/dbraw/zinc/45/25/92/1022452592.db2.gz RWKPCGWBHPMITF-UHFFFAOYSA-N 0 0 329.625 3.514 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)[nH]1 ZINC000328733260 1022490507 /nfs/dbraw/zinc/49/05/07/1022490507.db2.gz JLTXKHVDZZKGBA-VQHPVUNQSA-N 0 0 330.476 3.773 10 0 EHAERN COCC1(c2noc([C@@H]3CCC[C@@H]4CCCC[C@H]34)n2)CCOCC1 ZINC000328866944 1022520924 /nfs/dbraw/zinc/52/09/24/1022520924.db2.gz GUYLWKYSHGYNJI-HRCADAONSA-N 0 0 334.460 3.838 10 0 EHAERN O=C(N1CCc2ccccc21)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000328920312 1022545808 /nfs/dbraw/zinc/54/58/08/1022545808.db2.gz LSRNXXUHRJVZKF-SFHVURJKSA-N 0 0 332.407 3.883 10 0 EHAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000328925847 1022547904 /nfs/dbraw/zinc/54/79/04/1022547904.db2.gz FAQWCWZAFCATHW-ZACQAIPSSA-N 0 0 344.503 3.884 10 0 EHAERN COc1cccc(NC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000101603920 1022567113 /nfs/dbraw/zinc/56/71/13/1022567113.db2.gz CUKVGZHYEFXBMM-UHFFFAOYSA-N 0 0 328.412 3.985 10 0 EHAERN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C3(C)C)o1 ZINC000293756290 1022969765 /nfs/dbraw/zinc/96/97/65/1022969765.db2.gz QVBWEUQTLJWEQU-INIZCTEOSA-N 0 0 338.407 3.795 10 0 EHAERN COc1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc(OC)c1 ZINC000333886430 1023013249 /nfs/dbraw/zinc/01/32/49/1023013249.db2.gz XQONJAYIUNECQL-RLHHIGHOSA-N 0 0 330.428 3.604 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000588452279 1023022706 /nfs/dbraw/zinc/02/27/06/1023022706.db2.gz OXSSJQBWLPBVKO-SREVYHEPSA-N 0 0 343.377 3.920 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000588453676 1023043298 /nfs/dbraw/zinc/04/32/98/1023043298.db2.gz RIDPBKMSSCNZIW-HJWRWDBZSA-N 0 0 338.798 3.881 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCCCOCCc1ccccc1 ZINC000588455178 1023068067 /nfs/dbraw/zinc/06/80/67/1023068067.db2.gz GPKAWCQJUHEMFZ-KHPPLWFESA-N 0 0 325.408 3.596 10 0 EHAERN CCOCCC1(C(=O)N[C@@H]2CCCc3c(O)cccc32)CCCC1 ZINC000190272890 1023265477 /nfs/dbraw/zinc/26/54/77/1023265477.db2.gz HMJLYPGHWCDMRQ-QGZVFWFLSA-N 0 0 331.456 3.873 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000133965882 1024071583 /nfs/dbraw/zinc/07/15/83/1024071583.db2.gz MCHGAZSXFFOWIN-HOCLYGCPSA-N 0 0 341.459 3.605 10 0 EHAERN CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000191808256 1024168161 /nfs/dbraw/zinc/16/81/61/1024168161.db2.gz NVHJYAFEJSHPSZ-HOCLYGCPSA-N 0 0 327.428 3.885 10 0 EHAERN CC(C)(C)c1ncc(NC(=O)N[C@@H]2CCCc3c(O)cccc32)cn1 ZINC000192154074 1024240020 /nfs/dbraw/zinc/24/00/20/1024240020.db2.gz DEFMUWFMLVVNGH-OAHLLOKOSA-N 0 0 340.427 3.679 10 0 EHAERN CC(C)C[C@@H]1CCCCN1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000153698629 1024242678 /nfs/dbraw/zinc/24/26/78/1024242678.db2.gz ZBZIURDFHXPFPP-HOTGVXAUSA-N 0 0 347.507 3.847 10 0 EHAERN CCO[C@@H]1C[C@H](Nc2ccc(NC(=O)C(C)C)cc2)C12CCOCC2 ZINC000329910175 1024246659 /nfs/dbraw/zinc/24/66/59/1024246659.db2.gz NAHCJBKIRKMRHY-ZWKOTPCHSA-N 0 0 346.471 3.667 10 0 EHAERN CC(C)C[C@H]1CCCCN1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000153698756 1024252486 /nfs/dbraw/zinc/25/24/86/1024252486.db2.gz ZBZIURDFHXPFPP-CVEARBPZSA-N 0 0 347.507 3.847 10 0 EHAERN Cc1cnn([C@H]2CCCN([C@H](C)c3nc(-c4cccs4)no3)C2)c1 ZINC000247203978 1024500526 /nfs/dbraw/zinc/50/05/26/1024500526.db2.gz PFIOPDJSDZOTKL-KGLIPLIRSA-N 0 0 343.456 3.701 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cccc(COC)c1 ZINC000104996037 1024872091 /nfs/dbraw/zinc/87/20/91/1024872091.db2.gz GUIRRNYWIHHYQM-UHFFFAOYSA-N 0 0 327.428 3.715 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N[C@@H]2CCCC[C@@H]2O)s1 ZINC000333690402 1025131769 /nfs/dbraw/zinc/13/17/69/1025131769.db2.gz JAUXDKGWYVTWFU-OCCSQVGLSA-N 0 0 331.441 3.544 10 0 EHAERN Cc1cccc(NC2CCN(C(=O)N[C@@H](C)c3ccncc3)CC2)c1 ZINC000119668576 1025163485 /nfs/dbraw/zinc/16/34/85/1025163485.db2.gz UMIITNXEQUEYDQ-INIZCTEOSA-N 0 0 338.455 3.737 10 0 EHAERN CCOc1cc(/C=C/c2ncc(C(=O)OC)s2)cc(Cl)c1O ZINC000102598922 1025459837 /nfs/dbraw/zinc/45/98/37/1025459837.db2.gz QKEUHELQAIRCKT-SNAWJCMRSA-N 0 0 339.800 3.858 10 0 EHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2cccc(Cl)c2)c1 ZINC000102695606 1025518816 /nfs/dbraw/zinc/51/88/16/1025518816.db2.gz MXTBBEQPAPNDPP-GFCCVEGCSA-N 0 0 348.830 3.647 10 0 EHAERN CC1(C)CCCN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000102959301 1025558314 /nfs/dbraw/zinc/55/83/14/1025558314.db2.gz FVJNMYIZBAPRFI-UHFFFAOYSA-N 0 0 329.213 3.672 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(n1)CCCC2 ZINC000329001192 1025565744 /nfs/dbraw/zinc/56/57/44/1025565744.db2.gz HOUQRVGIJBJASQ-SCWSEQNSSA-N 0 0 342.483 3.506 10 0 EHAERN Cc1nc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2C)no1 ZINC000329567751 1026010488 /nfs/dbraw/zinc/01/04/88/1026010488.db2.gz TVMUVTDWGXLEHX-BZSNNMDCSA-N 0 0 339.439 3.934 10 0 EHAERN CCc1ncsc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000121959454 1026062257 /nfs/dbraw/zinc/06/22/57/1026062257.db2.gz NAUVAODNIRSABO-TZMCWYRMSA-N 0 0 330.453 3.732 10 0 EHAERN CC(=O)Nc1ccc(C)cc1OCc1nc(-c2cccc(C)c2)no1 ZINC000103720593 1026120868 /nfs/dbraw/zinc/12/08/68/1026120868.db2.gz OUVNQUGXGCLPEG-UHFFFAOYSA-N 0 0 337.379 3.891 10 0 EHAERN CCCCCC[C@H](C)NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000152453780 1026145995 /nfs/dbraw/zinc/14/59/95/1026145995.db2.gz YLVWWBZKBKZDOJ-LSDHHAIUSA-N 0 0 335.496 3.895 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccnc(Cl)c3)C2)cc1 ZINC000122101332 1026238522 /nfs/dbraw/zinc/23/85/22/1026238522.db2.gz DQZHUTQBEQTHGC-SWLSCSKDSA-N 0 0 330.815 3.762 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000152529982 1026288366 /nfs/dbraw/zinc/28/83/66/1026288366.db2.gz SHRBAWAGVMCRFD-FZMZJTMJSA-N 0 0 333.457 3.648 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H](C)c2cc(C)oc2C)C1 ZINC000152562100 1026339809 /nfs/dbraw/zinc/33/98/09/1026339809.db2.gz BLXQBWMQZCGPNR-GDBMZVCRSA-N 0 0 344.459 3.763 10 0 EHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000104971885 1026463297 /nfs/dbraw/zinc/46/32/97/1026463297.db2.gz BCBJRWJPLHSLRD-ZDUSSCGKSA-N 0 0 339.222 3.719 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000248405815 1026486205 /nfs/dbraw/zinc/48/62/05/1026486205.db2.gz AVPCFRYWQDPASA-OAOYMFHYSA-N 0 0 344.455 3.897 10 0 EHAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248411248 1026574838 /nfs/dbraw/zinc/57/48/38/1026574838.db2.gz DPJBKXQWLRGYBA-YXJHDRRASA-N 0 0 343.471 3.739 10 0 EHAERN O=c1[nH]ncc(N[C@H](c2cccc(Cl)c2)c2ccccn2)c1Cl ZINC000301625477 1026879924 /nfs/dbraw/zinc/87/99/24/1026879924.db2.gz ASUZSKMMRHOJCM-OAHLLOKOSA-N 0 0 347.205 3.673 10 0 EHAERN c1ccc2sc(N3CCC(c4noc(C5CC5)n4)CC3)nc2c1 ZINC000302181150 1027081210 /nfs/dbraw/zinc/08/12/10/1027081210.db2.gz QUQMUGCNBFKOSB-UHFFFAOYSA-N 0 0 326.425 3.941 10 0 EHAERN Fc1ccc2oc(N3CCC(c4noc(C5CC5)n4)CC3)nc2c1 ZINC000302183720 1027082527 /nfs/dbraw/zinc/08/25/27/1027082527.db2.gz SBHYUCABQARYGL-UHFFFAOYSA-N 0 0 328.347 3.611 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(COC)o2)cn1 ZINC000125830075 1027129975 /nfs/dbraw/zinc/12/99/75/1027129975.db2.gz SNOWPIMZTSZFQK-HNNXBMFYSA-N 0 0 345.399 3.589 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)nc3)CC2)cc1C ZINC000126122430 1027165696 /nfs/dbraw/zinc/16/56/96/1027165696.db2.gz CYKGXNOGMSNCGH-UHFFFAOYSA-N 0 0 343.402 3.913 10 0 EHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(Br)n1 ZINC000128258806 1027412970 /nfs/dbraw/zinc/41/29/70/1027412970.db2.gz NTKZWOOVHWYIRU-QMTHXVAHSA-N 0 0 347.212 3.656 10 0 EHAERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000128413503 1027432596 /nfs/dbraw/zinc/43/25/96/1027432596.db2.gz OCMGFGZOLJETKS-AWEZNQCLSA-N 0 0 339.439 3.721 10 0 EHAERN Cc1onc(-c2ccccn2)c1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333565385 1027544861 /nfs/dbraw/zinc/54/48/61/1027544861.db2.gz XDPXNBMZTDKMEM-XGKMFUNXSA-N 0 0 337.423 3.553 10 0 EHAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000153263536 1027639918 /nfs/dbraw/zinc/63/99/18/1027639918.db2.gz AHJZAIPKSUZFCR-UHFFFAOYSA-N 0 0 345.402 3.975 10 0 EHAERN COC(=O)c1ccc([C@H](C)OC(=O)CCC(=O)c2cccs2)cc1 ZINC000102136924 1027664227 /nfs/dbraw/zinc/66/42/27/1027664227.db2.gz UMXWHSJGIQXVIC-LBPRGKRZSA-N 0 0 346.404 3.802 10 0 EHAERN NC(=O)c1ccc(OCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000133163057 1028000960 /nfs/dbraw/zinc/00/09/60/1028000960.db2.gz SBYFPLCHOVUTTG-UHFFFAOYSA-N 0 0 328.755 3.673 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133393008 1028027363 /nfs/dbraw/zinc/02/73/63/1028027363.db2.gz WHQXRULESDSQLF-UGSOOPFHSA-N 0 0 331.387 3.506 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3sccc3-n3cccc3)CCO2)o1 ZINC000133434807 1028029953 /nfs/dbraw/zinc/02/99/53/1028029953.db2.gz GYOHRVKDXRFJCC-MRXNPFEDSA-N 0 0 342.420 3.654 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4c(ccc(C)c4C)[nH]3)CCO2)o1 ZINC000133495423 1028039054 /nfs/dbraw/zinc/03/90/54/1028039054.db2.gz FARSQEPVZDMSFI-IBGZPJMESA-N 0 0 338.407 3.900 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(-n4cccc4)cc3)CCO2)o1 ZINC000133610576 1028048222 /nfs/dbraw/zinc/04/82/22/1028048222.db2.gz KLEXZXXXGRWBGU-LJQANCHMSA-N 0 0 336.391 3.592 10 0 EHAERN CSc1ccc(C)c(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000133747813 1028061375 /nfs/dbraw/zinc/06/13/75/1028061375.db2.gz DRVBEUSFOIOBAQ-QGZVFWFLSA-N 0 0 331.437 3.832 10 0 EHAERN CCOCCC1(CNC(=O)[C@H]2Oc3ccccc3[C@@H]2C)CCCC1 ZINC000134144266 1028096985 /nfs/dbraw/zinc/09/69/85/1028096985.db2.gz ALRYHWKZYHJBSW-YJBOKZPZSA-N 0 0 331.456 3.654 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134371424 1028115796 /nfs/dbraw/zinc/11/57/96/1028115796.db2.gz WCUCRYINQCNCMV-BZSNNMDCSA-N 0 0 349.519 3.689 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000134598049 1028130952 /nfs/dbraw/zinc/13/09/52/1028130952.db2.gz APKMNNGXYNKJIG-CXAGYDPISA-N 0 0 345.830 3.659 10 0 EHAERN C[C@H]1CN(Cc2cc(F)cc3c2OCOC3)C[C@@H](c2ccsc2)O1 ZINC000246334699 1028250028 /nfs/dbraw/zinc/25/00/28/1028250028.db2.gz DUKQWIYCFSMZIX-SJCJKPOMSA-N 0 0 349.427 3.716 10 0 EHAERN O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000246343764 1028261758 /nfs/dbraw/zinc/26/17/58/1028261758.db2.gz NHTQKFACBFDOEB-MZKRTTBSSA-N 0 0 347.458 3.521 10 0 EHAERN C[C@H]1CCC[C@@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000055481351 1028273640 /nfs/dbraw/zinc/27/36/40/1028273640.db2.gz KOCOHABBBKMRCG-LSDHHAIUSA-N 0 0 348.512 3.543 10 0 EHAERN CC[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 ZINC000055967543 1028301786 /nfs/dbraw/zinc/30/17/86/1028301786.db2.gz QZRQTQKEOLEAKM-OLZOCXBDSA-N 0 0 332.400 3.581 10 0 EHAERN CN1CC[C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC000056045455 1028306225 /nfs/dbraw/zinc/30/62/25/1028306225.db2.gz GTOMGCDFXJIEHE-LBPRGKRZSA-N 0 0 332.806 3.833 10 0 EHAERN O=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](c2nccs2)C1 ZINC000067048002 1028354198 /nfs/dbraw/zinc/35/41/98/1028354198.db2.gz XRJAQONDCSOPNM-LLVKDONJSA-N 0 0 345.449 3.879 10 0 EHAERN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)N[C@@H](C)c3ccncc3)nc2c1 ZINC000140050510 1028399688 /nfs/dbraw/zinc/39/96/88/1028399688.db2.gz WJKWYEOUFKREIY-KBXCAEBGSA-N 0 0 349.438 3.874 10 0 EHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)NC1CCCCC1 ZINC000062576091 1028449440 /nfs/dbraw/zinc/44/94/40/1028449440.db2.gz KWWYZUSNWXGGRH-UHFFFAOYSA-N 0 0 327.428 3.824 10 0 EHAERN COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(N(C)C)cn1 ZINC000193870195 1028473662 /nfs/dbraw/zinc/47/36/62/1028473662.db2.gz NFLCDAUDJHTUIV-MRXNPFEDSA-N 0 0 340.427 3.525 10 0 EHAERN O=C(OCc1cnc(-c2cccs2)o1)[C@H]1CCCc2cccnc21 ZINC000194409139 1028516394 /nfs/dbraw/zinc/51/63/94/1028516394.db2.gz MBKUETPITDYJJU-AWEZNQCLSA-N 0 0 340.404 3.961 10 0 EHAERN Cc1ccc(-c2nnc(SCc3nc(-c4ccoc4)no3)o2)cc1 ZINC000105572385 1028522184 /nfs/dbraw/zinc/52/21/84/1028522184.db2.gz JJJMVJVNLNKFAX-UHFFFAOYSA-N 0 0 340.364 3.980 10 0 EHAERN CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCc3cccnc32)c1 ZINC000194702247 1028540534 /nfs/dbraw/zinc/54/05/34/1028540534.db2.gz SMKYEESGACTICM-CQSZACIVSA-N 0 0 328.799 3.996 10 0 EHAERN c1cnn(-c2ccccc2CN[C@H](c2cccs2)c2ncc[nH]2)c1 ZINC000195082596 1028578849 /nfs/dbraw/zinc/57/88/49/1028578849.db2.gz MCTNTTJOCVVAGG-QGZVFWFLSA-N 0 0 335.436 3.536 10 0 EHAERN Cc1ccc(C)c(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000195351433 1028634566 /nfs/dbraw/zinc/63/45/66/1028634566.db2.gz IVWULRXHRGNUNL-OAHLLOKOSA-N 0 0 329.469 3.578 10 0 EHAERN Cc1ccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000195352417 1028634695 /nfs/dbraw/zinc/63/46/95/1028634695.db2.gz DZUKXHQGTYUDII-ZDUSSCGKSA-N 0 0 349.887 3.923 10 0 EHAERN C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H](c2ccsc2)O1 ZINC000246542609 1028655069 /nfs/dbraw/zinc/65/50/69/1028655069.db2.gz QJILZKFMRJCUTG-CJNGLKHVSA-N 0 0 341.436 3.760 10 0 EHAERN C[C@@H]1CN(CCC(=O)Nc2ccccc2F)C[C@@H](c2ccsc2)O1 ZINC000246570534 1028660601 /nfs/dbraw/zinc/66/06/01/1028660601.db2.gz RTLNWVAFEGGYTJ-DYVFJYSZSA-N 0 0 348.443 3.678 10 0 EHAERN O=C(NC[C@@H]1CC=CCC1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246602255 1028667934 /nfs/dbraw/zinc/66/79/34/1028667934.db2.gz VYENBLAXLOXZBC-BZUAXINKSA-N 0 0 334.485 3.702 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N(Cc1cccs1)C1CC1 ZINC000246716942 1028679648 /nfs/dbraw/zinc/67/96/48/1028679648.db2.gz NNLQHCFVSFDBFO-BRWVUGGUSA-N 0 0 346.496 3.770 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)CCO2)o1 ZINC000246911910 1028712139 /nfs/dbraw/zinc/71/21/39/1028712139.db2.gz RRHAJOSFPNPZHS-MPGHIAIKSA-N 0 0 345.826 3.945 10 0 EHAERN Cc1cccnc1CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245537670 1028779858 /nfs/dbraw/zinc/77/98/58/1028779858.db2.gz MLYRQJRXDFMFBK-SJORKVTESA-N 0 0 337.250 3.787 10 0 EHAERN O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247459279 1028789596 /nfs/dbraw/zinc/78/95/96/1028789596.db2.gz PMNZDXWIPHJGIF-VQISRLSMSA-N 0 0 328.239 3.610 10 0 EHAERN O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247459266 1028789849 /nfs/dbraw/zinc/78/98/49/1028789849.db2.gz PMNZDXWIPHJGIF-COLVAYQJSA-N 0 0 328.239 3.610 10 0 EHAERN CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1OC ZINC000247618899 1028805202 /nfs/dbraw/zinc/80/52/02/1028805202.db2.gz SVWCTDKFKRGAAR-GVDBMIGSSA-N 0 0 347.455 3.562 10 0 EHAERN CN(Cc1cncs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245546758 1028808593 /nfs/dbraw/zinc/80/85/93/1028808593.db2.gz VSBMAMSRFOGIQX-KGLIPLIRSA-N 0 0 329.252 3.540 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000248800343 1028951105 /nfs/dbraw/zinc/95/11/05/1028951105.db2.gz JPSAVGQCTRKPEC-VTCANLHHSA-N 0 0 337.419 3.588 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2c(C)cc(Cl)cc2C)C1 ZINC000248822696 1028953205 /nfs/dbraw/zinc/95/32/05/1028953205.db2.gz FQARMWUUFTVQRF-HOCLYGCPSA-N 0 0 335.835 3.610 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)[C@H]2CCCC[C@@H]12 ZINC000249278868 1028971680 /nfs/dbraw/zinc/97/16/80/1028971680.db2.gz FLXDXWLIFNPWIU-COXVUDFISA-N 0 0 339.443 3.525 10 0 EHAERN C[C@H]1CN(Cc2ccc(N3CCCC3)nc2)C[C@@H](c2ccsc2)O1 ZINC000245693666 1029019865 /nfs/dbraw/zinc/01/98/65/1029019865.db2.gz BXQUNRQVHUPBCW-YJBOKZPZSA-N 0 0 343.496 3.705 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1ccncc1 ZINC000076944436 1029059160 /nfs/dbraw/zinc/05/91/60/1029059160.db2.gz DPNONGBYUUGMQY-GDBMZVCRSA-N 0 0 327.403 3.556 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1ccncc1 ZINC000076944439 1029059381 /nfs/dbraw/zinc/05/93/81/1029059381.db2.gz DPNONGBYUUGMQY-HOCLYGCPSA-N 0 0 327.403 3.556 10 0 EHAERN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000588568252 1029233459 /nfs/dbraw/zinc/23/34/59/1029233459.db2.gz OXHUXAORHMRFAY-XSLBHYSZSA-N 0 0 347.411 3.548 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccnc(SC)c3)C2)cc1 ZINC000078188269 1029239344 /nfs/dbraw/zinc/23/93/44/1029239344.db2.gz RAABLGCCUSCPDN-XJKSGUPXSA-N 0 0 342.464 3.830 10 0 EHAERN C[C@H]1C[C@H](C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C[C@@H](C)C1 ZINC000245787519 1029297411 /nfs/dbraw/zinc/29/74/11/1029297411.db2.gz ZTFYJEFMCBFCKK-DZFIZOCASA-N 0 0 348.531 3.700 10 0 EHAERN Cc1nc(CC(C)C)oc1C(=O)N=c1ccccn1Cc1ccccc1 ZINC000588576633 1029740993 /nfs/dbraw/zinc/74/09/93/1029740993.db2.gz RFONQCZVMLXDNP-UHFFFAOYSA-N 0 0 349.434 3.772 10 0 EHAERN Cc1cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C(C)C)c(C)o1 ZINC000295932790 1029834199 /nfs/dbraw/zinc/83/41/99/1029834199.db2.gz IUMJXMUPUYLGCG-ZDUSSCGKSA-N 0 0 332.448 3.740 10 0 EHAERN C[C@H](O)CN(C)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000091213006 1030242399 /nfs/dbraw/zinc/24/23/99/1030242399.db2.gz UQEGJHUHIXIPDG-NHYWBVRUSA-N 0 0 338.860 3.513 10 0 EHAERN O=C(c1cccnc1Cl)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000171300602 1030752959 /nfs/dbraw/zinc/75/29/59/1030752959.db2.gz TZEZXQJHDIMZMQ-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN CCSc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccn1 ZINC000171640466 1030769436 /nfs/dbraw/zinc/76/94/36/1030769436.db2.gz JRRPSSUOWXZFNF-CYBMUJFWSA-N 0 0 333.482 3.670 10 0 EHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000171645210 1030772048 /nfs/dbraw/zinc/77/20/48/1030772048.db2.gz VILNWGOIORTKAQ-MRXNPFEDSA-N 0 0 339.464 3.894 10 0 EHAERN C[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC000172809210 1031004041 /nfs/dbraw/zinc/00/40/41/1031004041.db2.gz DXUCHRGFIVEJBF-NSHDSACASA-N 0 0 335.835 3.873 10 0 EHAERN CCOc1c(F)cccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000173127253 1031075299 /nfs/dbraw/zinc/07/52/99/1031075299.db2.gz WZJJFZQKMBJNGM-UHFFFAOYSA-N 0 0 342.414 3.714 10 0 EHAERN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(N2CCNC2=O)c1C ZINC000173486355 1031096367 /nfs/dbraw/zinc/09/63/67/1031096367.db2.gz MXOUWWBVSSBCQF-RDJZCZTQSA-N 0 0 343.471 3.613 10 0 EHAERN CCC(CC)c1cc(CNC(=O)[C@H]2Oc3ccccc3[C@@H]2C)on1 ZINC000173641510 1031125316 /nfs/dbraw/zinc/12/53/16/1031125316.db2.gz QPNZEECXCPCQMF-SGTLLEGYSA-N 0 0 328.412 3.759 10 0 EHAERN C[C@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)[C@H]1c1ccccc1 ZINC000173979265 1031141066 /nfs/dbraw/zinc/14/10/66/1031141066.db2.gz QAACJDSACCWJHB-HRAATJIYSA-N 0 0 348.446 3.642 10 0 EHAERN O=C(c1cc(Cl)ccn1)N1CCC(Nc2ccccc2F)CC1 ZINC000174071403 1031160919 /nfs/dbraw/zinc/16/09/19/1031160919.db2.gz MAWDRKJYTFIMAA-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN Cc1ncc(/C=C/C(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000174075891 1031164087 /nfs/dbraw/zinc/16/40/87/1031164087.db2.gz CQHIZVHXNOZMBY-VOTSOKGWSA-N 0 0 345.443 3.707 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC[C@H]3CC[C@H](C)O3)C2)cc1 ZINC000174015879 1031194102 /nfs/dbraw/zinc/19/41/02/1031194102.db2.gz KDHHEYBEZOWZAL-MFWIUYSUSA-N 0 0 331.456 3.747 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)o1 ZINC000249260696 1031336554 /nfs/dbraw/zinc/33/65/54/1031336554.db2.gz YYAKFYYBVHBXPY-UIBIWLFHSA-N 0 0 332.444 3.782 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175874481 1031360634 /nfs/dbraw/zinc/36/06/34/1031360634.db2.gz PASZPTDSUIFGID-PXNSSMCTSA-N 0 0 331.375 3.579 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCCC[C@H]1c1ncon1 ZINC000249272637 1031386362 /nfs/dbraw/zinc/38/63/62/1031386362.db2.gz JKOKIZGWUPRZNU-IOASZLSFSA-N 0 0 347.365 3.595 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](Nc4ccccc4)C3)nc21 ZINC000176192002 1031393487 /nfs/dbraw/zinc/39/34/87/1031393487.db2.gz BKBSDEPOLAYVCM-QGZVFWFLSA-N 0 0 348.450 3.517 10 0 EHAERN COc1ccc(Cl)cc1/C=C/C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000176753007 1031456069 /nfs/dbraw/zinc/45/60/69/1031456069.db2.gz LZWPDTUTXREHQP-BBOMDTFKSA-N 0 0 347.798 3.555 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)N[C@@H](C)c3ccncc3)CC2)cc1 ZINC000116938105 1031479495 /nfs/dbraw/zinc/47/94/95/1031479495.db2.gz XAJQKDFVVVXABI-INIZCTEOSA-N 0 0 339.439 3.704 10 0 EHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)cc1 ZINC000176786727 1031484698 /nfs/dbraw/zinc/48/46/98/1031484698.db2.gz NRUQGIBLAQMOAB-QPGLYAHGSA-N 0 0 341.407 3.680 10 0 EHAERN CCCC1(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)CCC1 ZINC000177386879 1031536093 /nfs/dbraw/zinc/53/60/93/1031536093.db2.gz KYCRMIONFGEOIB-UHFFFAOYSA-N 0 0 348.512 3.687 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000117057329 1031546669 /nfs/dbraw/zinc/54/66/69/1031546669.db2.gz UXNNIXRJXJWBJS-QAPCUYQASA-N 0 0 344.503 3.579 10 0 EHAERN CO[C@@H]1CCCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000178232991 1031645925 /nfs/dbraw/zinc/64/59/25/1031645925.db2.gz WTGYBBNAXYOKNQ-NVXWUHKLSA-N 0 0 344.455 3.643 10 0 EHAERN Nc1cccc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000178579510 1031707768 /nfs/dbraw/zinc/70/77/68/1031707768.db2.gz QTQCLJWAGZRMNE-INIZCTEOSA-N 0 0 332.856 3.853 10 0 EHAERN CCC(C)(C)c1ccc(CNC(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000178854074 1031735571 /nfs/dbraw/zinc/73/55/71/1031735571.db2.gz GAMKDPQTRRPDKE-KRWDZBQOSA-N 0 0 325.456 3.765 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)c3c[nH]c4ncccc34)C2)sc1C ZINC000329681022 1031772885 /nfs/dbraw/zinc/77/28/85/1031772885.db2.gz WSDCJSHNSNRIOP-ZDUSSCGKSA-N 0 0 340.452 3.656 10 0 EHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@@H]1CCO[C@@H]1C ZINC000179608262 1031793083 /nfs/dbraw/zinc/79/30/83/1031793083.db2.gz BFNXWYIIQUSNEL-GDBMZVCRSA-N 0 0 326.444 3.569 10 0 EHAERN O=C(CSC[C@@H]1CCCCO1)N1CC=C(c2cccs2)CC1 ZINC000117721930 1031839745 /nfs/dbraw/zinc/83/97/45/1031839745.db2.gz PWPGKJPSFFCRAV-HNNXBMFYSA-N 0 0 337.510 3.666 10 0 EHAERN CCC(CC)n1nc(C)cc1C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000181519138 1032000863 /nfs/dbraw/zinc/00/08/63/1032000863.db2.gz KQFNKGHPHGGCGC-GOSISDBHSA-N 0 0 345.443 3.668 10 0 EHAERN Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nccs3)C2)c(Cl)n1 ZINC000181928549 1032045417 /nfs/dbraw/zinc/04/54/17/1032045417.db2.gz DYZWGZBBXSSPKW-GFCCVEGCSA-N 0 0 335.860 3.828 10 0 EHAERN Cc1ccc(C[C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(C)c1 ZINC000246860802 1033412076 /nfs/dbraw/zinc/41/20/76/1033412076.db2.gz BYVPVVGEZKPOLG-HFSMHLIXSA-N 0 0 344.499 3.571 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccncc1 ZINC000173499804 1033996337 /nfs/dbraw/zinc/99/63/37/1033996337.db2.gz JSZVEIYMVCQOEL-CABCVRRESA-N 0 0 330.457 3.578 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@H](O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000089301357 1034285673 /nfs/dbraw/zinc/28/56/73/1034285673.db2.gz DWTQSLDVVHQOKA-WNYOCNMUSA-N 0 0 327.399 3.859 10 0 EHAERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cc(Cl)c[nH]1 ZINC000101880324 1034306478 /nfs/dbraw/zinc/30/64/78/1034306478.db2.gz QVTHNXBUXPKJCG-UHFFFAOYSA-N 0 0 327.775 3.583 10 0 EHAERN CNc1snc(C)c1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000121223362 1034569178 /nfs/dbraw/zinc/56/91/78/1034569178.db2.gz TUSQHGNEDXKFIY-FZMZJTMJSA-N 0 0 345.468 3.520 10 0 EHAERN Clc1nc2ccccn2c1CNCc1ncc(-c2ccccc2)cn1 ZINC000185867211 1035551252 /nfs/dbraw/zinc/55/12/52/1035551252.db2.gz XRHONHMVKIBXMB-UHFFFAOYSA-N 0 0 349.825 3.735 10 0 EHAERN COCCC(C)(C)CNC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000186123103 1035585182 /nfs/dbraw/zinc/58/51/82/1035585182.db2.gz WOBZAPXCLQODEJ-RDJZCZTQSA-N 0 0 348.487 3.645 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2c(C)oc3ccccc32)c2ccccc2)[nH]1 ZINC000186153314 1035590671 /nfs/dbraw/zinc/59/06/71/1035590671.db2.gz HWUGGPMCSZJMQA-GOSISDBHSA-N 0 0 346.390 3.687 10 0 EHAERN C[C@]1(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)CC1(Cl)Cl ZINC000186179522 1035598262 /nfs/dbraw/zinc/59/82/62/1035598262.db2.gz ZVGUVCIKBDPXQV-LKFCYVNXSA-N 0 0 334.193 3.865 10 0 EHAERN O=C(c1cc2ccccc2s1)N1CCCN(c2ccccn2)CC1 ZINC000186433892 1035632826 /nfs/dbraw/zinc/63/28/26/1035632826.db2.gz LBNGVLUAJKAKPW-UHFFFAOYSA-N 0 0 337.448 3.649 10 0 EHAERN CCO[C@@H]1C[C@H](Nc2ccccc2-n2ccc(C)n2)C12CCOCC2 ZINC000186470302 1035638958 /nfs/dbraw/zinc/63/89/58/1035638958.db2.gz QUONUSLHPNMLFX-RBUKOAKNSA-N 0 0 341.455 3.567 10 0 EHAERN c1csc(Cn2cccc2C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186487010 1035643237 /nfs/dbraw/zinc/64/32/37/1035643237.db2.gz WDQVSOBPYQBNRC-UHFFFAOYSA-N 0 0 348.537 3.696 10 0 EHAERN C[C@@H](CCC(=O)N1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000186385022 1035651050 /nfs/dbraw/zinc/65/10/50/1035651050.db2.gz SOPFWJHJGAITKZ-SFHVURJKSA-N 0 0 337.467 3.704 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3scnc3C)C2)cc1 ZINC000186533223 1035654653 /nfs/dbraw/zinc/65/46/53/1035654653.db2.gz NLSOIHJAKZBCQE-UHBMGKAKSA-N 0 0 342.464 3.878 10 0 EHAERN COc1cnccc1[C@H](C)NCc1coc(-c2c(F)cccc2F)n1 ZINC000187026937 1035743442 /nfs/dbraw/zinc/74/34/42/1035743442.db2.gz SJACFSFNBKCANT-NSHDSACASA-N 0 0 345.349 3.874 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N1CCC[C@H]1c1ccco1 ZINC000188569557 1035951089 /nfs/dbraw/zinc/95/10/89/1035951089.db2.gz UYESCHGOZDMVJF-HOTGVXAUSA-N 0 0 326.396 3.958 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000188569537 1035952227 /nfs/dbraw/zinc/95/22/27/1035952227.db2.gz UYESCHGOZDMVJF-JKSUJKDBSA-N 0 0 326.396 3.958 10 0 EHAERN CC[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CC[C@@H]1c1ccccc1 ZINC000188606158 1035962990 /nfs/dbraw/zinc/96/29/90/1035962990.db2.gz KDFDUPSMUOCNPB-KXBFYZLASA-N 0 0 348.446 3.837 10 0 EHAERN Cc1nn(C)cc1NC(=O)NC(c1cccs1)c1cccs1 ZINC000189691166 1036117307 /nfs/dbraw/zinc/11/73/07/1036117307.db2.gz LANJJTHKHFRLTE-UHFFFAOYSA-N 0 0 332.454 3.763 10 0 EHAERN O=C(c1cc(F)c(F)cc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189800371 1036129176 /nfs/dbraw/zinc/12/91/76/1036129176.db2.gz FOPLBOIDSGBJGD-UHFFFAOYSA-N 0 0 347.336 3.813 10 0 EHAERN Cc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1F ZINC000189804396 1036147150 /nfs/dbraw/zinc/14/71/50/1036147150.db2.gz TXSAGMLSOJTLGO-UHFFFAOYSA-N 0 0 325.383 3.843 10 0 EHAERN O=C(Nc1ccc(F)cn1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189873739 1036159455 /nfs/dbraw/zinc/15/94/55/1036159455.db2.gz ZYMGZQWUOMWKBC-NSHDSACASA-N 0 0 335.329 3.910 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCSCc1ccccn1 ZINC000189940359 1036163857 /nfs/dbraw/zinc/16/38/57/1036163857.db2.gz GPRAXSFGYNVWAP-KRWDZBQOSA-N 0 0 342.464 3.653 10 0 EHAERN Cc1cn2c(CN3CCC(Nc4nccs4)CC3)c(C)nc2s1 ZINC000189951742 1036166845 /nfs/dbraw/zinc/16/68/45/1036166845.db2.gz ZNGLMJCXHVZINE-UHFFFAOYSA-N 0 0 347.513 3.546 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCC[C@H]2CCCO2)cc1 ZINC000190140800 1036197039 /nfs/dbraw/zinc/19/70/39/1036197039.db2.gz LVRKFSSLRNLVDQ-MSOLQXFVSA-N 0 0 349.496 3.661 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000248869286 1036201064 /nfs/dbraw/zinc/20/10/64/1036201064.db2.gz COXCMMRBGAYVKG-IIDMSEBBSA-N 0 0 346.471 3.712 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1CCCc2c(O)cccc21 ZINC000190257534 1036212808 /nfs/dbraw/zinc/21/28/08/1036212808.db2.gz GGKFMXCRPJQETF-INIZCTEOSA-N 0 0 335.363 3.501 10 0 EHAERN O=C(c1ccc(C2CCC2)cc1)N1CCCN(c2ccccn2)CC1 ZINC000190252151 1036214351 /nfs/dbraw/zinc/21/43/51/1036214351.db2.gz OXHVTEJEVQCHLN-UHFFFAOYSA-N 0 0 335.451 3.702 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190354260 1036226020 /nfs/dbraw/zinc/22/60/20/1036226020.db2.gz LWKGMHHKKNENQV-AWEZNQCLSA-N 0 0 344.484 3.799 10 0 EHAERN C[C@@H](OC[C@H]1CCCCO1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190382879 1036232794 /nfs/dbraw/zinc/23/27/94/1036232794.db2.gz BPSOSLMAECCXJK-KBXIAJHMSA-N 0 0 338.448 3.635 10 0 EHAERN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000191217324 1036351074 /nfs/dbraw/zinc/35/10/74/1036351074.db2.gz SDBKYNXBZYGYBJ-UYAOXDASSA-N 0 0 348.446 3.980 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000332875353 1036370934 /nfs/dbraw/zinc/37/09/34/1036370934.db2.gz WOFQXGGGTXYAJR-HYVNUMGLSA-N 0 0 330.476 3.658 10 0 EHAERN Cc1nnc(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)s1 ZINC000191490827 1036391075 /nfs/dbraw/zinc/39/10/75/1036391075.db2.gz DRKXTPCZHYXOEK-JTQLQIEISA-N 0 0 338.383 3.536 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)CCC2CCCCC2)C[C@H]1C ZINC000248983639 1036398685 /nfs/dbraw/zinc/39/86/85/1036398685.db2.gz WFPPMHHFOGADMP-BFYDXBDKSA-N 0 0 338.492 3.576 10 0 EHAERN Cc1cccc(-c2noc(CN[C@@H]3CCO[C@@H]3c3ccccc3)n2)c1 ZINC000191956351 1036447406 /nfs/dbraw/zinc/44/74/06/1036447406.db2.gz ZMMQRZHKOVDYGH-IEBWSBKVSA-N 0 0 335.407 3.665 10 0 EHAERN Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CCCc3cccnc32)n1 ZINC000192755382 1036548141 /nfs/dbraw/zinc/54/81/41/1036548141.db2.gz JWOYCURCYJICMG-MRXNPFEDSA-N 0 0 332.407 3.634 10 0 EHAERN CC(C)[C@@H](NC(=O)N1CCCC1(C)C)c1ccc2c(c1)OCCO2 ZINC000102958440 1037050308 /nfs/dbraw/zinc/05/03/08/1037050308.db2.gz UGJJBHKCANMLPK-QGZVFWFLSA-N 0 0 332.444 3.739 10 0 EHAERN COCc1ccccc1NC(=O)N(C)CCc1ccccc1OC ZINC000104999208 1037122116 /nfs/dbraw/zinc/12/21/16/1037122116.db2.gz ONRUYIIEZQEYOE-UHFFFAOYSA-N 0 0 328.412 3.548 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000105014949 1037129108 /nfs/dbraw/zinc/12/91/08/1037129108.db2.gz JHZFXOBKPKPXBR-MRXNPFEDSA-N 0 0 325.412 3.722 10 0 EHAERN CO[C@@H](C)c1cccc(NC(=O)NCCCCNc2ccccn2)c1 ZINC000105032962 1037140372 /nfs/dbraw/zinc/14/03/72/1037140372.db2.gz NHISYAANKKLQQD-HNNXBMFYSA-N 0 0 342.443 3.803 10 0 EHAERN Cc1nnc([C@H](NC(=O)N[C@H](C)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000105163733 1037151458 /nfs/dbraw/zinc/15/14/58/1037151458.db2.gz LBJIXXGLGAGWFT-RDTXWAMCSA-N 0 0 349.438 3.571 10 0 EHAERN O=C(CSCc1ccn(-c2ccccc2)n1)Nc1ccccc1F ZINC000105642237 1037230135 /nfs/dbraw/zinc/23/01/35/1037230135.db2.gz OCFJIHYXLMFBEQ-UHFFFAOYSA-N 0 0 341.411 3.883 10 0 EHAERN CCOc1ccc(CNC(=O)CSc2cccc(OC)c2)cc1F ZINC000105984742 1037290730 /nfs/dbraw/zinc/29/07/30/1037290730.db2.gz IGYOKTHZLAHKSY-UHFFFAOYSA-N 0 0 349.427 3.642 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000104479806 1037300396 /nfs/dbraw/zinc/30/03/96/1037300396.db2.gz GMWYRQBBABQKMK-BXKDBHETSA-N 0 0 348.324 3.951 10 0 EHAERN Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525422 1037568583 /nfs/dbraw/zinc/56/85/83/1037568583.db2.gz YUWDFEFEWQPOMO-UHFFFAOYSA-N 0 0 332.363 3.708 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cccc(OC(F)F)c1 ZINC000101526383 1037570468 /nfs/dbraw/zinc/57/04/68/1037570468.db2.gz OKXZSIUYMWFVGI-UHFFFAOYSA-N 0 0 331.278 3.590 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@H]1CCCc2occc21 ZINC000103853144 1037591379 /nfs/dbraw/zinc/59/13/79/1037591379.db2.gz LCLXDJQCLAZHJP-INIZCTEOSA-N 0 0 328.412 3.550 10 0 EHAERN COc1cccc(C[S@@](=O)Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000105689971 1037604852 /nfs/dbraw/zinc/60/48/52/1037604852.db2.gz MYNFKJCRHCPDRN-DEOSSOPVSA-N 0 0 342.420 3.503 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000113218260 1037779384 /nfs/dbraw/zinc/77/93/84/1037779384.db2.gz VGISHTDORNQUGA-GOSISDBHSA-N 0 0 346.434 3.800 10 0 EHAERN CSC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217744 1037779402 /nfs/dbraw/zinc/77/94/02/1037779402.db2.gz WRTBZOPAMGUWFU-GDBMZVCRSA-N 0 0 343.496 3.782 10 0 EHAERN C[C@@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1cc2ccccc2s1 ZINC000332728956 1037950039 /nfs/dbraw/zinc/95/00/39/1037950039.db2.gz HVHFYNBPXBDQMC-TZMCWYRMSA-N 0 0 330.453 3.527 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](C)c1cc(C)sc1C)CCC2 ZINC000332683333 1037951417 /nfs/dbraw/zinc/95/14/17/1037951417.db2.gz KNCITGQPTPHOBH-UKRRQHHQSA-N 0 0 346.500 3.808 10 0 EHAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000332790984 1037952764 /nfs/dbraw/zinc/95/27/64/1037952764.db2.gz KNEGPYMDJKSZGJ-MWDXBVQZSA-N 0 0 347.503 3.609 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)n[nH]3)C2)cc1 ZINC000121190947 1037955265 /nfs/dbraw/zinc/95/52/65/1037955265.db2.gz UROYMQRBGHCUAC-UKRRQHHQSA-N 0 0 327.428 3.560 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000332926636 1037966478 /nfs/dbraw/zinc/96/64/78/1037966478.db2.gz KVWRXVKFIYLTJO-FAXLKDOZSA-N 0 0 337.489 3.502 10 0 EHAERN COCCC1(CNC(=O)N2CC=C(c3ccccc3)CC2)CCC1 ZINC000124442151 1038186291 /nfs/dbraw/zinc/18/62/91/1038186291.db2.gz YOKDSCVWWKAUCL-UHFFFAOYSA-N 0 0 328.456 3.692 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(F)nc3)C2)cc1 ZINC000125351279 1038317127 /nfs/dbraw/zinc/31/71/27/1038317127.db2.gz IMVHKIAGSYDDIE-OCCSQVGLSA-N 0 0 329.375 3.639 10 0 EHAERN C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@@H]1C ZINC000408068991 1038626180 /nfs/dbraw/zinc/62/61/80/1038626180.db2.gz KBXKQGMGQUZTCJ-HUUCEWRRSA-N 0 0 329.444 3.575 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246258247 1040152372 /nfs/dbraw/zinc/15/23/72/1040152372.db2.gz HAISATGITUASLQ-DZJNRPSUSA-N 0 0 328.456 3.703 10 0 EHAERN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000245641125 1040223440 /nfs/dbraw/zinc/22/34/40/1040223440.db2.gz DKXMHLLKNBRDOC-HSHDSVGOSA-N 0 0 338.398 3.673 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc2c(c1)CC(=O)N2 ZINC000245690343 1040369306 /nfs/dbraw/zinc/36/93/06/1040369306.db2.gz JMJZSWUZIFTPOE-NXNVCVFFSA-N 0 0 340.467 3.965 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000171465677 1040503059 /nfs/dbraw/zinc/50/30/59/1040503059.db2.gz RDNLVBROSOJLRS-IAGOWNOFSA-N 0 0 344.846 3.608 10 0 EHAERN O=C1C[C@@H](c2nc(Cc3ccccc3Cl)no2)c2ccccc2N1 ZINC000109539949 1041383467 /nfs/dbraw/zinc/38/34/67/1041383467.db2.gz DPELBUFCSGVCEY-CYBMUJFWSA-N 0 0 339.782 3.788 10 0 EHAERN Cc1cc(C(=O)N2c3ccccc3C(C)(C)C[C@@H]2C)c2cnn(C)c2n1 ZINC000408156894 1041895146 /nfs/dbraw/zinc/89/51/46/1041895146.db2.gz DRJVWZDOLSLGKC-AWEZNQCLSA-N 0 0 348.450 3.993 10 0 EHAERN C[C@@H](NC(=O)c1ncoc1[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000408172105 1042104621 /nfs/dbraw/zinc/10/46/21/1042104621.db2.gz RVBOTIPYZQECOY-JLZSUIFSSA-N 0 0 344.455 3.861 10 0 EHAERN O=C(NC1CCCC1)c1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1 ZINC000330253597 1042574410 /nfs/dbraw/zinc/57/44/10/1042574410.db2.gz OWAQKLWPFDSKJL-RDTXWAMCSA-N 0 0 341.455 3.765 10 0 EHAERN O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408307939 1043009278 /nfs/dbraw/zinc/00/92/78/1043009278.db2.gz UGRWXCNQGPTBBI-CQSZACIVSA-N 0 0 347.720 3.616 10 0 EHAERN CC1(C)CN(C(=O)c2ncoc2[C@H]2CCCO2)CC[C@@H]1C(F)(F)F ZINC000408342915 1043392657 /nfs/dbraw/zinc/39/26/57/1043392657.db2.gz LXZQRDOPRGUZGK-MNOVXSKESA-N 0 0 346.349 3.577 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cccc3cc[nH]c31)CCCC2 ZINC000279299171 1043748652 /nfs/dbraw/zinc/74/86/52/1043748652.db2.gz ZQNWOVZPSHLFLK-SFHVURJKSA-N 0 0 348.450 3.758 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(F)cc2cccnc21 ZINC000163120719 1043908129 /nfs/dbraw/zinc/90/81/29/1043908129.db2.gz INEOWVCRNRSZEW-UHFFFAOYSA-N 0 0 334.310 3.676 10 0 EHAERN CO[C@]1(C)CCCN(C(=O)Nc2cc(C)cc3cccnc32)CC1 ZINC000408389701 1044627530 /nfs/dbraw/zinc/62/75/30/1044627530.db2.gz NHWOZQLJMPMVGF-LJQANCHMSA-N 0 0 327.428 3.966 10 0 EHAERN O=C(N[C@H]1CCCc2ccc(F)cc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000279843525 1044736914 /nfs/dbraw/zinc/73/69/14/1044736914.db2.gz RFEHGAGFUMQJJC-ZWKOTPCHSA-N 0 0 342.418 3.863 10 0 EHAERN COc1ccccc1CCN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000104710588 1127894506 /nfs/dbraw/zinc/89/45/06/1127894506.db2.gz ILVFGRSCTHQPQK-UHFFFAOYSA-N 0 0 340.467 3.733 10 0 EHAERN C[C@@H]1CC(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)C[C@@H](C)O1 ZINC000282260000 1128137255 /nfs/dbraw/zinc/13/72/55/1128137255.db2.gz PCCJCNCIHMWQDS-GPMSIDNRSA-N 0 0 345.487 3.912 10 0 EHAERN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NC1CCCC1 ZINC000003532420 1121067398 /nfs/dbraw/zinc/06/73/98/1121067398.db2.gz VKKSCLJQXSCGDJ-NSHDSACASA-N 0 0 348.497 3.821 10 0 EHAERN CC1(C)Cc2cc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)ccc2O1 ZINC000273475349 1129752899 /nfs/dbraw/zinc/75/28/99/1129752899.db2.gz SPYTZTJGPXIBIN-MRXNPFEDSA-N 0 0 340.427 3.882 10 0 EHAERN CCn1c(SCC(=O)OCC(C)(C)C)nnc1-c1cccs1 ZINC000103700757 1131785195 /nfs/dbraw/zinc/78/51/95/1131785195.db2.gz LZNNBYCSAWTGIE-UHFFFAOYSA-N 0 0 339.486 3.708 10 0 EHAERN CC(C)[C@H](CC(=O)OCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000103220326 1132754354 /nfs/dbraw/zinc/75/43/54/1132754354.db2.gz QIYYJUFIHIOGPH-INIZCTEOSA-N 0 0 327.428 3.566 10 0 EHAERN Cc1nc(C)c(COC(=O)Cc2c(C)nn(CC(C)C)c2C)s1 ZINC000103821553 1133600516 /nfs/dbraw/zinc/60/05/16/1133600516.db2.gz MXVQHHHQCJJDIV-UHFFFAOYSA-N 0 0 335.473 3.515 10 0 EHAERN COc1ccc(SCCC(=O)OCc2ccnc(Cl)c2)cc1 ZINC000101963685 1135434907 /nfs/dbraw/zinc/43/49/07/1135434907.db2.gz DPODHFZQMWXMRG-UHFFFAOYSA-N 0 0 337.828 3.969 10 0 EHAERN CCCCCCC(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000102142069 1135465217 /nfs/dbraw/zinc/46/52/17/1135465217.db2.gz NGQOYYHIURDRNV-MRXNPFEDSA-N 0 0 335.444 3.954 10 0 EHAERN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCCc1cccnc1 ZINC000105558131 1135953810 /nfs/dbraw/zinc/95/38/10/1135953810.db2.gz RRCPPVSDZUBTGD-GFCCVEGCSA-N 0 0 339.313 3.654 10 0 EHAERN COCCc1ccc(OC(=O)c2sccc2OC(F)F)cc1 ZINC000105755319 1135969593 /nfs/dbraw/zinc/96/95/93/1135969593.db2.gz OLUPXGNMZXMATJ-UHFFFAOYSA-N 0 0 328.336 3.758 10 0 EHAERN CC[C@H](COC(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000105774305 1135975922 /nfs/dbraw/zinc/97/59/22/1135975922.db2.gz PRZKPSWSKOBMPB-OAHLLOKOSA-N 0 0 325.408 3.739 10 0 EHAERN CCOc1ccc(CNC(=O)c2ccc(Cl)nc2Cl)cc1F ZINC000105984561 1136015103 /nfs/dbraw/zinc/01/51/03/1136015103.db2.gz HDZUSFXQGWROQV-UHFFFAOYSA-N 0 0 343.185 3.856 10 0 EHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2F)cc1 ZINC000102251953 1137872552 /nfs/dbraw/zinc/87/25/52/1137872552.db2.gz FFALBBLUXNZSJV-SWLSCSKDSA-N 0 0 326.371 3.697 10 0 EHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@H]2CCC[C@@H]21 ZINC000333316679 1138276367 /nfs/dbraw/zinc/27/63/67/1138276367.db2.gz KIBYMHNNABMXGJ-MFKMUULPSA-N 0 0 333.338 3.852 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccnc2OCC(C)C)cs1 ZINC000187105840 1140239071 /nfs/dbraw/zinc/23/90/71/1140239071.db2.gz YGOHNPVDAWRNNP-INIZCTEOSA-N 0 0 345.468 3.859 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(-c3ccccc3)o2)C1 ZINC000190147725 1140389713 /nfs/dbraw/zinc/38/97/13/1140389713.db2.gz MRQVTTOOBINCPU-IRXDYDNUSA-N 0 0 339.395 3.600 10 0 EHAERN Cc1nn(Cc2ccc(Br)o2)c(C)c1Br ZINC000050594402 214060899 /nfs/dbraw/zinc/06/08/99/214060899.db2.gz LUUPUCGPOPLCFF-UHFFFAOYSA-N 0 0 334.011 3.666 10 0 EHAERN O=c1c2c[nH]c3cc(Br)ccc3c-2nn1-c1ccccc1 ZINC000053994598 214209989 /nfs/dbraw/zinc/20/99/89/214209989.db2.gz POUQAVSCMYXKDX-UHFFFAOYSA-N 0 0 340.180 3.630 10 0 EHAERN CCc1nc(-c2ccc(-c3noc(-c4ccnn4C)n3)cc2)cs1 ZINC000065032358 214823641 /nfs/dbraw/zinc/82/36/41/214823641.db2.gz USFAHECLWXCJJY-UHFFFAOYSA-N 0 0 337.408 3.823 10 0 EHAERN Cc1ccc(C(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1 ZINC000065168795 214836435 /nfs/dbraw/zinc/83/64/35/214836435.db2.gz XIVVEDBAZJINLX-UHFFFAOYSA-N 0 0 329.403 3.651 10 0 EHAERN CNc1ccc2c(ncnc2Nc2cccc(Br)c2)n1 ZINC000003815248 210076963 /nfs/dbraw/zinc/07/69/63/210076963.db2.gz WMBRHVWLKLLTEE-UHFFFAOYSA-N 0 0 330.189 3.573 10 0 EHAERN NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CC3)C2)cc1 ZINC000003814732 210077101 /nfs/dbraw/zinc/07/71/01/210077101.db2.gz RSVKRWJGUDWYLS-UHFFFAOYSA-N 0 0 343.423 3.958 10 0 EHAERN CC[C@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)CC(C)C ZINC000102847040 219235052 /nfs/dbraw/zinc/23/50/52/219235052.db2.gz RCKLOHUSHPLFTE-HNNXBMFYSA-N 0 0 329.444 3.952 10 0 EHAERN Cc1cc(C)n(-c2cc(C)ccc2-c2cc(C)cnc2-n2cnnc2)n1 ZINC000067473272 215151616 /nfs/dbraw/zinc/15/16/16/215151616.db2.gz KDPWZLKJKQTNIR-UHFFFAOYSA-N 0 0 344.422 3.749 10 0 EHAERN COC(=O)C1(Nc2cccc(Br)c2)CCC(C)CC1 ZINC000104177073 219355988 /nfs/dbraw/zinc/35/59/88/219355988.db2.gz KBCIWWDHRLWLRL-UHFFFAOYSA-N 0 0 326.234 3.983 10 0 EHAERN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OCC)cc1 ZINC000040950163 213404028 /nfs/dbraw/zinc/40/40/28/213404028.db2.gz NBFKZTURPXOPBA-SDNWHVSQSA-N 0 0 339.391 3.914 10 0 EHAERN COc1cc(F)c([C@H](O)c2sccc2Br)c(F)c1 ZINC000104302350 219372488 /nfs/dbraw/zinc/37/24/88/219372488.db2.gz TZPBUJXTNBEONW-NSHDSACASA-N 0 0 335.169 3.879 10 0 EHAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779582 213386033 /nfs/dbraw/zinc/38/60/33/213386033.db2.gz CSUZTWIXKOZPON-UHFFFAOYSA-N 0 0 348.744 3.873 10 0 EHAERN Cc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N ZINC000040779329 213385543 /nfs/dbraw/zinc/38/55/43/213385543.db2.gz BDHCBOUXFLJNFQ-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1nc(Nc2ncnc(NCc3ccc(F)cc3)c2N)sc1C ZINC000040783134 213387473 /nfs/dbraw/zinc/38/74/73/213387473.db2.gz KBDNPSUZLDIRAZ-UHFFFAOYSA-N 0 0 344.419 3.627 10 0 EHAERN CN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040757900 213382960 /nfs/dbraw/zinc/38/29/60/213382960.db2.gz HKSLGMCHJURVLF-UHFFFAOYSA-N 0 0 327.338 3.849 10 0 EHAERN Cc1ccnc(Nc2ncnc(Nc3cccc4cccnc43)c2N)c1 ZINC000040701318 213372402 /nfs/dbraw/zinc/37/24/02/213372402.db2.gz KVGCRCWWGRXQJW-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN Cc1ccc(C)c(Nc2ncnc(-n3cnc4ccccc43)c2N)c1 ZINC000040704756 213371263 /nfs/dbraw/zinc/37/12/63/213371263.db2.gz ILKWLTFHHKTQRH-UHFFFAOYSA-N 0 0 330.395 3.758 10 0 EHAERN CCCCNc1ncnc(Nc2ccc(Br)cc2)c1N ZINC000040706577 213371803 /nfs/dbraw/zinc/37/18/03/213371803.db2.gz NRRMHJPIOMBNDR-UHFFFAOYSA-N 0 0 336.237 3.777 10 0 EHAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2nccs2)c1N ZINC000040704922 213371559 /nfs/dbraw/zinc/37/15/59/213371559.db2.gz TYPYFGZOMHHQPQ-UHFFFAOYSA-N 0 0 332.820 3.964 10 0 EHAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)c1 ZINC000040681688 213367590 /nfs/dbraw/zinc/36/75/90/213367590.db2.gz POGRWLLJLBUXKQ-UHFFFAOYSA-N 0 0 349.394 3.892 10 0 EHAERN CCN(c1cccc(C)c1)c1ncnc(N2CCCCCC2)c1N ZINC000040661737 213365076 /nfs/dbraw/zinc/36/50/76/213365076.db2.gz OFEXRVOVXLYXLS-UHFFFAOYSA-N 0 0 325.460 3.906 10 0 EHAERN CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000104434677 219387270 /nfs/dbraw/zinc/38/72/70/219387270.db2.gz RTFVMJFYDUWGDU-LLVKDONJSA-N 0 0 348.306 3.861 10 0 EHAERN CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1Br ZINC000104434694 219387386 /nfs/dbraw/zinc/38/73/86/219387386.db2.gz HQYDSJNEQGCITF-LLVKDONJSA-N 0 0 348.306 3.861 10 0 EHAERN OCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000040400876 213297814 /nfs/dbraw/zinc/29/78/14/213297814.db2.gz HKELSGVNFJVGPR-UHFFFAOYSA-N 0 0 336.313 3.626 10 0 EHAERN O=C(Cn1c2ccccc2nc1-c1ccco1)NCc1ccc(F)cc1 ZINC000040307870 213291157 /nfs/dbraw/zinc/29/11/57/213291157.db2.gz XSJHPXXTQPZDIW-UHFFFAOYSA-N 0 0 349.365 3.752 10 0 EHAERN COc1ccc(C(=O)NCc2nc3ccccc3n2CC(C)C)cc1 ZINC000040279742 213286816 /nfs/dbraw/zinc/28/68/16/213286816.db2.gz JXRVZTKAOLKIPS-UHFFFAOYSA-N 0 0 337.423 3.631 10 0 EHAERN CC(C)CCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 ZINC000040181085 213280306 /nfs/dbraw/zinc/28/03/06/213280306.db2.gz NATFIYRKCQWDER-UHFFFAOYSA-N 0 0 336.439 3.750 10 0 EHAERN Cc1cccc(NC(=O)Cn2c(C)cc(=O)c3cccc(F)c32)c1C ZINC000039963606 213246966 /nfs/dbraw/zinc/24/69/66/213246966.db2.gz SXAZPMKSOQRTGO-UHFFFAOYSA-N 0 0 338.382 3.705 10 0 EHAERN CNc1nc2c(s1)c(C)c(O)c(C)c2[C@H](OC)c1cccnc1 ZINC000039127764 213231614 /nfs/dbraw/zinc/23/16/14/213231614.db2.gz FBFAWSVHQNCKGD-OAHLLOKOSA-N 0 0 329.425 3.791 10 0 EHAERN COc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000069664171 215526499 /nfs/dbraw/zinc/52/64/99/215526499.db2.gz LAXZDQJUVGWFHX-QZTJIDSGSA-N 0 0 347.418 3.505 10 0 EHAERN COc1cc(OC)c(N(C)c2nc(C)nc3ccccc32)c(OC)c1 ZINC000038361131 213207570 /nfs/dbraw/zinc/20/75/70/213207570.db2.gz HDTIMAORIBYVJI-UHFFFAOYSA-N 0 0 339.395 3.732 10 0 EHAERN CC[C@@H](C)N[C@@](CC)(C(=O)OC)c1ccc(Br)cc1 ZINC000038066682 213199211 /nfs/dbraw/zinc/19/92/11/213199211.db2.gz YWFLFMOEGCZBFQ-IAQYHMDHSA-N 0 0 328.250 3.616 10 0 EHAERN CCOC(=O)[C@@](C)(N[C@@H](C)CC)c1ccc(Br)cc1 ZINC000038067781 213199247 /nfs/dbraw/zinc/19/92/47/213199247.db2.gz SZKHHVBOASKEAJ-NHYWBVRUSA-N 0 0 328.250 3.616 10 0 EHAERN C[C@H](NCc1nccn1C(F)F)c1cccc(Br)c1 ZINC000038012505 213189411 /nfs/dbraw/zinc/18/94/11/213189411.db2.gz AZXJINCAAPOJRO-VIFPVBQESA-N 0 0 330.176 3.892 10 0 EHAERN CCOC(=O)[C@@](C)(NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000037973784 213179155 /nfs/dbraw/zinc/17/91/55/213179155.db2.gz RSSSNZLPNOTRES-LBPRGKRZSA-N 0 0 344.160 3.924 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCCC1)c1ccccc1Br ZINC000037972238 213177895 /nfs/dbraw/zinc/17/78/95/213177895.db2.gz WQQAPBNUUCDAOH-HNNXBMFYSA-N 0 0 340.261 3.976 10 0 EHAERN COC(=O)[C@@](C)(NC1CCCCC1)c1ccc(Br)cc1 ZINC000037971951 213177622 /nfs/dbraw/zinc/17/76/22/213177622.db2.gz OAPVMPRIHXDDPH-INIZCTEOSA-N 0 0 340.261 3.760 10 0 EHAERN COC(=O)[C@H](NC1CCCCC1)c1cc(Br)ccc1F ZINC000037972013 213177404 /nfs/dbraw/zinc/17/74/04/213177404.db2.gz PKQSYDAQAZTUBQ-CQSZACIVSA-N 0 0 344.224 3.725 10 0 EHAERN COC(=O)[C@](C)(NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000037973324 213177428 /nfs/dbraw/zinc/17/74/28/213177428.db2.gz CHGGMQINAJEPLP-LLVKDONJSA-N 0 0 330.133 3.534 10 0 EHAERN O=C([O-])[C@H]([NH2+]C1CCCCC1)c1cc(Br)ccc1F ZINC000037971737 213177326 /nfs/dbraw/zinc/17/73/26/213177326.db2.gz AKRQOTKJWFNATJ-CYBMUJFWSA-N 0 0 330.197 3.636 10 0 EHAERN COC(=O)[C@H](Nc1cccc(Br)c1)C1CCCCC1 ZINC000037960888 213176132 /nfs/dbraw/zinc/17/61/32/213176132.db2.gz QALVHBCSEMEPQN-CQSZACIVSA-N 0 0 326.234 3.983 10 0 EHAERN COc1cc(Br)c(-c2nccc(Cl)n2)cc1OC ZINC000037755043 213165220 /nfs/dbraw/zinc/16/52/20/213165220.db2.gz RNPSNJFCECSYFJ-UHFFFAOYSA-N 0 0 329.581 3.577 10 0 EHAERN Cc1noc2nc(C)cc(C(=O)Nc3cc(-c4ccccc4)no3)c12 ZINC000036614248 213101545 /nfs/dbraw/zinc/10/15/45/213101545.db2.gz FPUSHGHIXHFYFV-UHFFFAOYSA-N 0 0 334.335 3.747 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000035143660 213011126 /nfs/dbraw/zinc/01/11/26/213011126.db2.gz KZXFROMQNVVRHT-UHFFFAOYSA-N 0 0 349.434 3.534 10 0 EHAERN COc1ccc(CN2C(=O)CS[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000033890314 212966972 /nfs/dbraw/zinc/96/69/72/212966972.db2.gz UKPKEFRNADSZPZ-IBGZPJMESA-N 0 0 338.432 3.951 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)cc1C ZINC000072440989 216235102 /nfs/dbraw/zinc/23/51/02/216235102.db2.gz XJZPOHYYXYTPAU-UHFFFAOYSA-N 0 0 343.390 3.741 10 0 EHAERN Cc1ccc(-c2ccnc3nc(-c4ccc5c(c4)OCCO5)nn32)cc1 ZINC000072472220 216250286 /nfs/dbraw/zinc/25/02/86/216250286.db2.gz XQYKKAYOBYOBSD-UHFFFAOYSA-N 0 0 344.374 3.538 10 0 EHAERN COCc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)CCCC3=O ZINC000072464073 216246815 /nfs/dbraw/zinc/24/68/15/216246815.db2.gz TWJIFZLZCGNIMZ-UHFFFAOYSA-N 0 0 341.798 3.715 10 0 EHAERN CCOC(=O)[C@@H](NCC(F)(F)F)c1cccc(Cl)c1Cl ZINC000037973817 213178796 /nfs/dbraw/zinc/17/87/96/213178796.db2.gz KVPFPOQMPVBEMF-JTQLQIEISA-N 0 0 330.133 3.750 10 0 EHAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000022677704 212315673 /nfs/dbraw/zinc/31/56/73/212315673.db2.gz OENXPCMTCGBUQF-YVEFUNNKSA-N 0 0 346.377 3.748 10 0 EHAERN COc1ccc(-c2nc3cc(NC(=O)[C@@H]4CCCO4)ccc3o2)cc1 ZINC000021143378 212210866 /nfs/dbraw/zinc/21/08/66/212210866.db2.gz SNLOBCHKIKZRMC-KRWDZBQOSA-N 0 0 338.363 3.621 10 0 EHAERN Clc1ccc2nc(-c3ccccn3)cc(N3CCOCC3)c2c1 ZINC000253495272 244004825 /nfs/dbraw/zinc/00/48/25/244004825.db2.gz SMIFZEWQXOMQKJ-UHFFFAOYSA-N 0 0 325.799 3.787 10 0 EHAERN Cc1cccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 ZINC000020372647 212123427 /nfs/dbraw/zinc/12/34/27/212123427.db2.gz UOGZCSKSHUEXEG-KRWDZBQOSA-N 0 0 336.435 3.912 10 0 EHAERN Cc1ccc(S(=O)(=O)Oc2cccc3c(Cl)ccnc23)cc1 ZINC000085221889 217656658 /nfs/dbraw/zinc/65/66/58/217656658.db2.gz AEBBUXOPBLENSZ-UHFFFAOYSA-N 0 0 333.796 3.964 10 0 EHAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)c5n[nH]cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000012496105 211393175 /nfs/dbraw/zinc/39/31/75/211393175.db2.gz OCUSYXNRARMJHS-SUVJOWDWSA-N 0 0 344.499 3.609 10 0 endogenous,in-man EHAERN CC(C)(C)OC(=O)N1CCC(COc2nc3ccccc3o2)CC1 ZINC000095084118 218275566 /nfs/dbraw/zinc/27/55/66/218275566.db2.gz OXSWGPBHSFIWRC-UHFFFAOYSA-N 0 0 332.400 3.854 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOCC(=O)c2ccco2)C1 ZINC000095085184 218276541 /nfs/dbraw/zinc/27/65/41/218276541.db2.gz UUMRFSARCOKVHA-CQSZACIVSA-N 0 0 337.416 3.516 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](COCC(=O)c2cccs2)C1 ZINC000095085457 218276622 /nfs/dbraw/zinc/27/66/22/218276622.db2.gz LXGWMNFPYPYVHH-CYBMUJFWSA-N 0 0 339.457 3.595 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1nc2ccccc2[nH]1 ZINC000095086479 218277345 /nfs/dbraw/zinc/27/73/45/218277345.db2.gz WAJOKHGNKLTKMF-ZDUSSCGKSA-N 0 0 330.432 3.764 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccccc2[nH]1 ZINC000095086618 218277531 /nfs/dbraw/zinc/27/75/31/218277531.db2.gz MBASCFSERDLLRL-CYBMUJFWSA-N 0 0 331.416 3.731 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COCC(=O)c1cccs1 ZINC000095086662 218277558 /nfs/dbraw/zinc/27/75/58/218277558.db2.gz ZNIJHDJSCGZJMC-CYBMUJFWSA-N 0 0 339.457 3.737 10 0 EHAERN Cc1cc(Cl)nc(OC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089911 218279330 /nfs/dbraw/zinc/27/93/30/218279330.db2.gz LBZMJVGUDDTALY-LBPRGKRZSA-N 0 0 341.839 3.607 10 0 EHAERN C[C@@H]1CN(c2nsc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000095090794 218280163 /nfs/dbraw/zinc/28/01/63/218280163.db2.gz NVQFMXORIGWQSM-GFCCVEGCSA-N 0 0 333.457 3.742 10 0 EHAERN CC[C@@H](C)Sc1nnc(NC(=O)Cc2ccc(F)cc2)s1 ZINC000008794581 211007451 /nfs/dbraw/zinc/00/74/51/211007451.db2.gz CTMNUTTWMGRBIZ-SECBINFHSA-N 0 0 325.434 3.749 10 0 EHAERN CSc1nc2scc(I)c2c(Cl)n1 ZINC000095935590 218451489 /nfs/dbraw/zinc/45/14/89/218451489.db2.gz BYTXUNDOGFOCBX-UHFFFAOYSA-N 0 0 342.614 3.671 10 0 EHAERN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3[C@H](O)C[C@@H]12 ZINC000096023796 218516007 /nfs/dbraw/zinc/51/60/07/218516007.db2.gz MRTXWRPVFGYIEY-DEPWHIHDSA-N 0 0 346.467 3.588 10 0 biogenic EHAERN COC(=O)c1ccccc1NC(=O)n1ncc2cc(Cl)ccc21 ZINC000006768999 210706482 /nfs/dbraw/zinc/70/64/82/210706482.db2.gz QUVVSEKYRAYDFC-UHFFFAOYSA-N 0 0 329.743 3.557 10 0 EHAERN CCCCOc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 ZINC000006397747 210628920 /nfs/dbraw/zinc/62/89/20/210628920.db2.gz AAFHSQPJMQZDLM-UXHICEINSA-N 0 0 345.439 3.926 10 0 EHAERN CCN1C(=S)N[C@H]2c3cc(C(C)(C)C)cc(O)c3O[C@@]13CCC[C@H]23 ZINC000005005785 210359573 /nfs/dbraw/zinc/35/95/73/210359573.db2.gz ZITPFULEQIBETB-FRIZHTMISA-N 0 0 346.496 3.830 10 0 EHAERN CC[C@@H](C)[C@@H]1COC(c2cccn2Cc2cccc(OC)c2OC)=N1 ZINC000004970705 210343319 /nfs/dbraw/zinc/34/33/19/210343319.db2.gz LDAQNSQAVJJAGW-ZBFHGGJFSA-N 0 0 342.439 3.745 10 0 EHAERN Cc1c(Cl)cccc1N1CCN(C(=O)c2cccs2)[C@@H](C)C1=O ZINC000037288112 132394099 /nfs/dbraw/zinc/39/40/99/132394099.db2.gz KBSANGGOSWXVNA-LBPRGKRZSA-N 0 0 348.855 3.587 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(Cl)nc2ccccn21 ZINC000120827820 221685806 /nfs/dbraw/zinc/68/58/06/221685806.db2.gz MAOXVFKBQYTGHS-NXEZZACHSA-N 0 0 345.752 3.839 10 0 EHAERN CCCOC(=O)c1nc2ccccc2nc1Sc1ccc(N)cc1 ZINC000057341219 520227635 /nfs/dbraw/zinc/22/76/35/520227635.db2.gz MPVQCGMBSATCEI-UHFFFAOYSA-N 0 0 339.420 3.930 10 0 EHAERN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@@H]1c1ccncc1 ZINC000009529750 563505826 /nfs/dbraw/zinc/50/58/26/563505826.db2.gz WWBMFUUDGHKNLT-OAHLLOKOSA-N 0 0 336.178 3.628 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000583621251 564018101 /nfs/dbraw/zinc/01/81/01/564018101.db2.gz FEMDOSYIZUURNH-IAGOWNOFSA-N 0 0 349.352 3.638 10 0 EHAERN CC(C)N(Cc1nccn1Cc1cccc(Cl)c1)C(=O)C1CC1 ZINC000006690416 564095836 /nfs/dbraw/zinc/09/58/36/564095836.db2.gz NXGWEOUHKUYGIM-UHFFFAOYSA-N 0 0 331.847 3.732 10 0 EHAERN O=S(=O)(N[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1)c1ccccc1 ZINC000006809501 564098453 /nfs/dbraw/zinc/09/84/53/564098453.db2.gz LJLCJSJAIDMDPZ-QZTJIDSGSA-N 0 0 348.443 3.527 10 0 EHAERN Cc1ccccc1CN1c2ccccc2[C@@](O)(c2ccccc2)C1=O ZINC000065155569 564102099 /nfs/dbraw/zinc/10/20/99/564102099.db2.gz CTHXEYYJHRZWSN-QFIPXVFZSA-N 0 0 329.399 3.778 10 0 EHAERN CC(C)(C)OC(=O)NCc1c[nH]c2cc(Br)ccc12 ZINC000498045777 564113095 /nfs/dbraw/zinc/11/30/95/564113095.db2.gz NWQFHWGNAUZISA-UHFFFAOYSA-N 0 0 325.206 3.955 10 0 EHAERN Clc1ccc2c(c1)N(Cc1nccn1Cc1ccccc1)CCO2 ZINC000095962575 564142801 /nfs/dbraw/zinc/14/28/01/564142801.db2.gz KZTOVKQPWMGFNK-UHFFFAOYSA-N 0 0 339.826 3.984 10 0 EHAERN C[C@@H](COCc1ccccc1)CC(=O)CCNC(=O)OC(C)(C)C ZINC000685961441 564177199 /nfs/dbraw/zinc/17/71/99/564177199.db2.gz IDJGWHYBOCNCFJ-OAHLLOKOSA-N 0 0 335.444 3.713 10 0 EHAERN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000706399906 954948775 /nfs/dbraw/zinc/94/87/75/954948775.db2.gz IYBLIOWFLUKDOA-ONGXEEELSA-N 0 0 346.652 3.645 10 0 EHAERN Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)c1Br ZINC000719576529 955170278 /nfs/dbraw/zinc/17/02/78/955170278.db2.gz HFWRLWMPUCVTCV-IINYFYTJSA-N 0 0 340.261 3.609 10 0 EHAERN CSCCCCCCNC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000182203864 1032077419 /nfs/dbraw/zinc/07/74/19/1032077419.db2.gz OENWZUHHMIACPB-KRWDZBQOSA-N 0 0 335.517 3.806 10 0 EHAERN C[N@H+](Cc1csc(C(=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000689077284 976205693 /nfs/dbraw/zinc/20/56/93/976205693.db2.gz JXMSCGUESFIIRY-UHFFFAOYSA-N 0 0 344.480 3.543 10 0 EHAERN O=C([O-])c1ccc(C[NH2+][C@H]2CCC23CCCC3)c(Br)c1 ZINC000694459925 976694941 /nfs/dbraw/zinc/69/49/41/976694941.db2.gz TWQFXBHHJBXPOF-AWEZNQCLSA-N 0 0 338.245 3.960 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]CC[C@H]2CC=CCC2)c(Br)c1 ZINC000706890656 977366799 /nfs/dbraw/zinc/36/67/99/977366799.db2.gz CUWQFYICQQFCIL-LBPRGKRZSA-N 0 0 338.245 3.983 10 0 EHAERN CC1(C)[C@H]([NH2+][C@H](C(=O)[O-])c2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000717982808 977926351 /nfs/dbraw/zinc/92/63/51/977926351.db2.gz XAKBQOPWKYTNTL-QYZOEREBSA-N 0 0 339.435 3.786 10 0 EHAERN CCNc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000183195439 1032142847 /nfs/dbraw/zinc/14/28/47/1032142847.db2.gz AIHDVHSPZIRIPF-ZDUSSCGKSA-N 0 0 343.814 3.836 10 0 EHAERN O=C(c1ccc(Cl)c2ncccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000407978596 1016665510 /nfs/dbraw/zinc/66/55/10/1016665510.db2.gz AZRACGYZAUTHMV-BFUOFWGJSA-N 0 0 344.842 3.655 10 0 EHAERN Cn1c(=O)oc2ccc(N[C@H]3CCCOc4ccc(F)cc43)cc21 ZINC000183082708 1032162020 /nfs/dbraw/zinc/16/20/20/1032162020.db2.gz WAZGDYCMQAVJTC-AWEZNQCLSA-N 0 0 328.343 3.596 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000183798257 1032205666 /nfs/dbraw/zinc/20/56/66/1032205666.db2.gz DJLOHXBFSWNGIY-MTJIALIYSA-N 0 0 333.387 3.658 10 0 EHAERN CCC[C@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185530914 1032439080 /nfs/dbraw/zinc/43/90/80/1032439080.db2.gz COHCTNSYWBNZLP-HKUYNNGSSA-N 0 0 348.462 3.808 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)CCCC(C)(C)C)c2ccc(F)cc2C1 ZINC000185544104 1032440925 /nfs/dbraw/zinc/44/09/25/1032440925.db2.gz QZKQVGQGKXFFKH-SFHVURJKSA-N 0 0 348.462 3.952 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000089308858 1032523541 /nfs/dbraw/zinc/52/35/41/1032523541.db2.gz OBQRDGPMZJFNKU-HBFSDRIKSA-N 0 0 343.467 3.641 10 0 EHAERN Fc1cccc2c1ncnc2N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000408032586 1017259633 /nfs/dbraw/zinc/25/96/33/1017259633.db2.gz ZCPFBEWZYJTPFQ-MRXNPFEDSA-N 0 0 337.402 3.712 10 0 EHAERN O=C(N[C@H]1CCO[C@@H]1c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000176129639 1017320472 /nfs/dbraw/zinc/32/04/72/1017320472.db2.gz IYYPZHYVQHRREB-YAVWMNLKSA-N 0 0 340.467 3.785 10 0 EHAERN Cc1nnc(N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)s1 ZINC000091483290 1032704325 /nfs/dbraw/zinc/70/43/25/1032704325.db2.gz ZRHPXRFXNKYLRG-CQSZACIVSA-N 0 0 325.441 3.621 10 0 EHAERN Fc1cccc2ncnc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)c12 ZINC000275747461 1018465287 /nfs/dbraw/zinc/46/52/87/1018465287.db2.gz VWOOLQQQWYXQAR-INIZCTEOSA-N 0 0 337.402 3.712 10 0 EHAERN CNc1ccc(Cl)c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000408465790 1019082740 /nfs/dbraw/zinc/08/27/40/1019082740.db2.gz HUHWKHAALPOELY-XKQJLSEDSA-N 0 0 336.863 3.537 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@H](C)[C@H]2CCCO2)cs1 ZINC000333470722 1019665442 /nfs/dbraw/zinc/66/54/42/1019665442.db2.gz QWQVCMHECYVQBN-BDJLRTHQSA-N 0 0 331.441 3.808 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCCC[C@@H]2CO)cs1 ZINC000333482332 1019725367 /nfs/dbraw/zinc/72/53/67/1019725367.db2.gz SNBPOVVTNCTNIP-HIFRSBDPSA-N 0 0 345.468 3.791 10 0 EHAERN Cc1c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cnn1CC(C)C ZINC000333487284 1019761030 /nfs/dbraw/zinc/76/10/30/1019761030.db2.gz IHTXMDNTQLWXBN-DRMAHVMPSA-N 0 0 330.476 3.747 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000093156135 1020878992 /nfs/dbraw/zinc/87/89/92/1020878992.db2.gz CNNYIMLJYWZYNC-HWWQOWPSSA-N 0 0 342.892 3.799 10 0 EHAERN CCOc1cc(C=CC(=O)Nc2ccc3c(C)n[nH]c3c2)ccc1O ZINC000588413251 1020933810 /nfs/dbraw/zinc/93/38/10/1020933810.db2.gz MDLYMUGVBXTEAD-UITAMQMPSA-N 0 0 337.379 3.628 10 0 EHAERN COc1cc(NC(=O)/C=C\c2cnc3ccccc3n2)ccc1Cl ZINC000588610782 1032955653 /nfs/dbraw/zinc/95/56/53/1032955653.db2.gz HPJJLHGPQMRAPU-CLFYSBASSA-N 0 0 339.782 3.944 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000246499152 1021135665 /nfs/dbraw/zinc/13/56/65/1021135665.db2.gz PUMOXQVOPAGGCR-SUYBPPKGSA-N 0 0 327.428 3.756 10 0 EHAERN CNC(=O)c1ccc(C)c(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000246581036 1021738421 /nfs/dbraw/zinc/73/84/21/1021738421.db2.gz WCVYFRHMISEYNU-CKEIUWERSA-N 0 0 329.444 3.540 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164653669 1021809528 /nfs/dbraw/zinc/80/95/28/1021809528.db2.gz QTZQBLKOXYHHIM-YQVWRLOYSA-N 0 0 348.531 3.985 10 0 EHAERN O=C(Nc1ccc2c(n1)CCC2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000333715023 1021934620 /nfs/dbraw/zinc/93/46/20/1021934620.db2.gz UHMNNHAYVWXXBT-NEPJUHHUSA-N 0 0 327.350 3.813 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000246596699 1022071111 /nfs/dbraw/zinc/07/11/11/1022071111.db2.gz XDXMQRRUAKCQRN-QWQRMKEZSA-N 0 0 341.455 3.764 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc2ccccc2s1 ZINC000588434473 1022167983 /nfs/dbraw/zinc/16/79/83/1022167983.db2.gz KZTOFHGOKYZUOE-SREVYHEPSA-N 0 0 346.452 3.712 10 0 EHAERN O=C(NC[C@@H]1CCCCS1)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000333818948 1022198391 /nfs/dbraw/zinc/19/83/91/1022198391.db2.gz JKRUCGWVXAOWDU-IHRRRGAJSA-N 0 0 340.514 3.553 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@@H]1CCCC[C@H]1F ZINC000334110180 1022403337 /nfs/dbraw/zinc/40/33/37/1022403337.db2.gz BCPKEPKUMRHBRO-SYQHCUMBSA-N 0 0 326.437 3.548 10 0 EHAERN CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@H]2CCCCC(=O)N2)s1 ZINC000328634914 1022451814 /nfs/dbraw/zinc/45/18/14/1022451814.db2.gz BTTJTGXQJUBBBK-QWHCGFSZSA-N 0 0 337.489 3.823 10 0 EHAERN CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H]2CCCCC(=O)N2)s1 ZINC000328634915 1022452122 /nfs/dbraw/zinc/45/21/22/1022452122.db2.gz BTTJTGXQJUBBBK-STQMWFEESA-N 0 0 337.489 3.823 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)c2cc3ccccc3o2)[nH]1 ZINC000328668978 1022458134 /nfs/dbraw/zinc/45/81/34/1022458134.db2.gz DXNZYERECKSMIE-DOMZBBRYSA-N 0 0 338.411 3.717 10 0 EHAERN O=C(/C=C\c1ccncn1)NCCc1ccc(-c2ccccc2)cc1 ZINC000588440559 1022458522 /nfs/dbraw/zinc/45/85/22/1022458522.db2.gz GQGFXHKJODHWLB-KHPPLWFESA-N 0 0 329.403 3.516 10 0 EHAERN CCOCCC1(C(=O)N[C@H]2CCCc3c(O)cccc32)CCCC1 ZINC000190272907 1023265114 /nfs/dbraw/zinc/26/51/14/1023265114.db2.gz HMJLYPGHWCDMRQ-KRWDZBQOSA-N 0 0 331.456 3.873 10 0 EHAERN CCCc1nc(C)c(C(=O)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000190281664 1023280295 /nfs/dbraw/zinc/28/02/95/1023280295.db2.gz RKZGWVUICQRFEU-AWEZNQCLSA-N 0 0 330.453 3.917 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000080740192 1023280449 /nfs/dbraw/zinc/28/04/49/1023280449.db2.gz RGZAQGPYEPXTLS-HIFRSBDPSA-N 0 0 348.834 3.851 10 0 EHAERN Cc1ccc2ncc(-c3nc(C4C[C@@H](C)C[C@H](C)C4)no3)c(=O)n2c1 ZINC000329726106 1024149322 /nfs/dbraw/zinc/14/93/22/1024149322.db2.gz OKNRLPKZIQLZOA-STQMWFEESA-N 0 0 338.411 3.593 10 0 EHAERN C[C@@H](c1nc([C@H]2C[C@H](C)C[C@H](C)C2)no1)n1nnnc1C(C)(C)C ZINC000329740808 1024171370 /nfs/dbraw/zinc/17/13/70/1024171370.db2.gz VOMUKJGJSQOORX-QNWHQSFQSA-N 0 0 332.452 3.503 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@H](C)c3ccc(F)cc3F)CCO2)o1 ZINC000151725204 1024500055 /nfs/dbraw/zinc/50/00/55/1024500055.db2.gz GZHZFGOMSLHVCO-KPZWWZAWSA-N 0 0 349.377 3.960 10 0 EHAERN COc1cccc([C@H](C)CC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000151795802 1024663504 /nfs/dbraw/zinc/66/35/04/1024663504.db2.gz MFLMXSGYKMWINB-KUHUBIRLSA-N 0 0 343.423 3.690 10 0 EHAERN CSc1cc(C)ccc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000152341661 1033253786 /nfs/dbraw/zinc/25/37/86/1033253786.db2.gz QWAJSQATHKCVOS-QFBILLFUSA-N 0 0 348.512 3.554 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)N1CC=C(c2cccs2)CC1 ZINC000152027591 1025096527 /nfs/dbraw/zinc/09/65/27/1025096527.db2.gz YCJMXWGJEXLPME-BZUAXINKSA-N 0 0 332.469 3.504 10 0 EHAERN Cc1csc([C@@H]2CCCCN2C(=O)c2noc3c2CCCC3)n1 ZINC000329083621 1025593276 /nfs/dbraw/zinc/59/32/76/1025593276.db2.gz FJBUFEKNSVSBPY-ZDUSSCGKSA-N 0 0 331.441 3.686 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3o2)no1 ZINC000329330063 1025757893 /nfs/dbraw/zinc/75/78/93/1025757893.db2.gz VOSBXDALMLAZHR-GFCCVEGCSA-N 0 0 331.759 3.755 10 0 EHAERN CC(C)CC1(c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)CCCC1 ZINC000329547134 1025982099 /nfs/dbraw/zinc/98/20/99/1025982099.db2.gz AZEGIASSFYZOFS-HZPDHXFCSA-N 0 0 333.476 3.853 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C(C)=O)cs3)C2)cc1 ZINC000122067301 1026173915 /nfs/dbraw/zinc/17/39/15/1026173915.db2.gz IFIYYNTZCXLTAK-WFASDCNBSA-N 0 0 343.448 3.978 10 0 EHAERN COc1cc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc(OC)c1OC ZINC000192794970 1026345458 /nfs/dbraw/zinc/34/54/58/1026345458.db2.gz OJYNZJYVHCPEHS-CZUORRHYSA-N 0 0 343.423 3.887 10 0 EHAERN Cc1noc(-c2ccnc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)n1 ZINC000301499457 1026828533 /nfs/dbraw/zinc/82/85/33/1026828533.db2.gz CZKWPUUIEQZKFM-VXGBXAGGSA-N 0 0 326.322 3.973 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1c(C)noc1C ZINC000123272481 1027082604 /nfs/dbraw/zinc/08/26/04/1027082604.db2.gz FMGWERIYFKPLJB-ZIAGYGMSSA-N 0 0 348.472 3.788 10 0 EHAERN CCc1noc(CC)c1CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000125953908 1027143565 /nfs/dbraw/zinc/14/35/65/1027143565.db2.gz OQCINEDUALMNPX-UHFFFAOYSA-N 0 0 345.468 3.860 10 0 EHAERN Cc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1F ZINC000128859401 1027487178 /nfs/dbraw/zinc/48/71/78/1027487178.db2.gz RKBACOWTYZBWTG-UHFFFAOYSA-N 0 0 333.432 3.986 10 0 EHAERN Cc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)c(F)c1 ZINC000128974600 1027506761 /nfs/dbraw/zinc/50/67/61/1027506761.db2.gz JUIVPMAUZXPCFE-UHFFFAOYSA-N 0 0 333.432 3.986 10 0 EHAERN CC1(C)CN(C(=O)Nc2ccc3c(n2)CCCC3=O)[C@@H]2CCC[C@H]21 ZINC000333628919 1027701173 /nfs/dbraw/zinc/70/11/73/1027701173.db2.gz HJNJLRRAPWQFQX-UKRRQHHQSA-N 0 0 327.428 3.643 10 0 EHAERN CCOCc1cccc(NC(=O)N(C)CCc2ccccc2OC)c1 ZINC000105031454 1027852877 /nfs/dbraw/zinc/85/28/77/1027852877.db2.gz OHINTQUTGUSRIL-UHFFFAOYSA-N 0 0 342.439 3.938 10 0 EHAERN CC[C@H](CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(OC)cc1 ZINC000246183561 1027901942 /nfs/dbraw/zinc/90/19/42/1027901942.db2.gz SQKIZBMFHHDDKN-IXMYUCAJSA-N 0 0 343.467 3.653 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)cc1Cl ZINC000246232986 1028041765 /nfs/dbraw/zinc/04/17/65/1028041765.db2.gz WUGDYDLRHWLWKH-IACUBPJLSA-N 0 0 326.223 3.681 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)CCO2)o1 ZINC000133680704 1028053784 /nfs/dbraw/zinc/05/37/84/1028053784.db2.gz ADXXGFQBWZTTKO-RKVPGOIHSA-N 0 0 347.361 3.570 10 0 EHAERN COc1ccc([C@@H](C)CC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000133824345 1028069615 /nfs/dbraw/zinc/06/96/15/1028069615.db2.gz MZAYGIRVVVNNNI-IFXJQAMLSA-N 0 0 343.423 3.690 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(OC(C)(C)C)cc3)CCO2)o1 ZINC000133826023 1028070728 /nfs/dbraw/zinc/07/07/28/1028070728.db2.gz SCDBBTDPABKMCI-SFHVURJKSA-N 0 0 343.423 3.979 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)c1ccc(F)c(Cl)c1 ZINC000133859344 1028073021 /nfs/dbraw/zinc/07/30/21/1028073021.db2.gz MHHQCXKYAPEEKF-GHJWDPDVSA-N 0 0 340.826 3.751 10 0 EHAERN C[C@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1ccncc1 ZINC000052496751 1028101381 /nfs/dbraw/zinc/10/13/81/1028101381.db2.gz QBUYVOIOBKRGJH-VIFPVBQESA-N 0 0 331.426 3.544 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1Cl ZINC000134597548 1028130473 /nfs/dbraw/zinc/13/04/73/1028130473.db2.gz JRXHSOHIRWYUJV-HIFRSBDPSA-N 0 0 345.830 3.659 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc[nH]c3=S)CC2)cc1C ZINC000054010590 1028217267 /nfs/dbraw/zinc/21/72/67/1028217267.db2.gz DVMTZUPKAQNKJA-UHFFFAOYSA-N 0 0 342.464 3.671 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054652477 1028244270 /nfs/dbraw/zinc/24/42/70/1028244270.db2.gz MNUHPGFITAGHCM-GGPKGHCWSA-N 0 0 337.419 3.794 10 0 EHAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048809 1028354038 /nfs/dbraw/zinc/35/40/38/1028354038.db2.gz IXHYUJAPXXYTFO-AWEZNQCLSA-N 0 0 339.464 3.882 10 0 EHAERN CCc1ccc(CCC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000057799142 1028372683 /nfs/dbraw/zinc/37/26/83/1028372683.db2.gz SLIBNRNCZYOASU-FQEVSTJZSA-N 0 0 348.450 3.514 10 0 EHAERN CCOC(=O)c1sc(NC(=O)[C@H]2CCCc3cccnc32)cc1C ZINC000193804792 1028467686 /nfs/dbraw/zinc/46/76/86/1028467686.db2.gz RMGVITAOETXJPG-ZDUSSCGKSA-N 0 0 344.436 3.687 10 0 EHAERN O[C@H](C[C@@H]1CCCN1Cc1cc(-c2ccco2)on1)c1ccco1 ZINC000246438304 1028500903 /nfs/dbraw/zinc/50/09/03/1028500903.db2.gz DOXJNHZVFDCJJG-LSDHHAIUSA-N 0 0 328.368 3.616 10 0 EHAERN C[C@H]1CCC[C@H](OC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000072691701 1028512268 /nfs/dbraw/zinc/51/22/68/1028512268.db2.gz TXPLRJGZAAULGI-ZFWWWQNUSA-N 0 0 335.469 3.722 10 0 EHAERN Cc1ccccc1-c1nnc(SCc2nc(-c3ccoc3)no2)o1 ZINC000105571562 1028521634 /nfs/dbraw/zinc/52/16/34/1028521634.db2.gz LBDIXYXMVJPTES-UHFFFAOYSA-N 0 0 340.364 3.980 10 0 EHAERN CC(C)(C)c1nc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000246449661 1028534233 /nfs/dbraw/zinc/53/42/33/1028534233.db2.gz FHINVDSUJDEKFD-QWHCGFSZSA-N 0 0 335.473 3.517 10 0 EHAERN c1csc([C@@H]2CCCN(Cc3nnc(-c4ccccc4)o3)C2)n1 ZINC000195353917 1028595782 /nfs/dbraw/zinc/59/57/82/1028595782.db2.gz MHPGONVADYPEJV-CQSZACIVSA-N 0 0 326.425 3.573 10 0 EHAERN C[C@H]1CCC[C@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000074514728 1028620917 /nfs/dbraw/zinc/62/09/17/1028620917.db2.gz NRBGGDQLSYVVRA-HOCLYGCPSA-N 0 0 348.512 3.637 10 0 EHAERN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nccs1 ZINC000074909198 1028639064 /nfs/dbraw/zinc/63/90/64/1028639064.db2.gz ARAGPNYWZTZQPL-GFCCVEGCSA-N 0 0 337.242 3.883 10 0 EHAERN COC(=O)c1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(C)s1 ZINC000246727661 1028682262 /nfs/dbraw/zinc/68/22/62/1028682262.db2.gz UDJFPMLODVADDH-LSDHHAIUSA-N 0 0 349.452 3.524 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)cc1 ZINC000246725218 1028682833 /nfs/dbraw/zinc/68/28/33/1028682833.db2.gz VTTVASJHAVPGHQ-NORZTCDRSA-N 0 0 342.266 3.984 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CCO2)o1 ZINC000246911877 1028711597 /nfs/dbraw/zinc/71/15/97/1028711597.db2.gz RRHAJOSFPNPZHS-DAYGRLMNSA-N 0 0 345.826 3.945 10 0 EHAERN Cc1ccc([C@H]2CN([C@H](C)C(=O)Nc3ccc(C)cc3C)CCO2)o1 ZINC000247103266 1028745533 /nfs/dbraw/zinc/74/55/33/1028745533.db2.gz WKNQSHMVDSPYOR-VQIMIIECSA-N 0 0 342.439 3.605 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N(Cc1ccco1)C1CCCC1 ZINC000247220245 1028758640 /nfs/dbraw/zinc/75/86/40/1028758640.db2.gz ZBJBDTUWLDUPLA-RCCFBDPRSA-N 0 0 344.455 3.691 10 0 EHAERN Cc1ccc(C)c([C@@H]2CN(Cc3ncnn3CC(C)C)[C@@H](C)CO2)c1 ZINC000245530219 1028772304 /nfs/dbraw/zinc/77/23/04/1028772304.db2.gz SGEOHIOICJMLPU-HKUYNNGSSA-N 0 0 342.487 3.513 10 0 EHAERN O=C(Nc1ccccc1N1CCCCC1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247429697 1028787565 /nfs/dbraw/zinc/78/75/65/1028787565.db2.gz NRJWSRKPPLDDQS-FRQCXROJSA-N 0 0 343.471 3.756 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(F)c(C(F)(F)F)c1 ZINC000247485979 1028793401 /nfs/dbraw/zinc/79/34/01/1028793401.db2.gz RHAHZTKEHXDGPM-GDLCADMTSA-N 0 0 331.309 3.532 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000248386379 1028877475 /nfs/dbraw/zinc/87/74/75/1028877475.db2.gz MJEKXSBZBMFUNX-QXSJWSMHSA-N 0 0 339.357 3.651 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C1(Cc2cccc(F)c2)CCC1 ZINC000248506446 1028881358 /nfs/dbraw/zinc/88/13/58/1028881358.db2.gz XNKDDIWPMJVRBG-RCCFBDPRSA-N 0 0 331.431 3.612 10 0 EHAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000248422051 1028898091 /nfs/dbraw/zinc/89/80/91/1028898091.db2.gz BPMRLMQDAJGDFJ-CABZTGNLSA-N 0 0 341.782 3.758 10 0 EHAERN C[C@@H]1CN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@H]2CCCC[C@@H]12 ZINC000248419346 1028899010 /nfs/dbraw/zinc/89/90/10/1028899010.db2.gz LAQHGRKVBAPJES-NWGLXNPWSA-N 0 0 340.467 3.615 10 0 EHAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248427871 1028901863 /nfs/dbraw/zinc/90/18/63/1028901863.db2.gz OCTSYPYVUHORSY-BUIXCFAXSA-N 0 0 349.858 3.623 10 0 EHAERN Cc1ccc(C)c([C@@H]2CN(C[C@H]3CC4(CCC4)C(=O)O3)[C@@H](C)CO2)c1 ZINC000248824156 1028951601 /nfs/dbraw/zinc/95/16/01/1028951601.db2.gz GJQXVXRWCQIUFU-SCTDSRPQSA-N 0 0 343.467 3.551 10 0 EHAERN CS[C@H]1CCCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000153955885 1028963096 /nfs/dbraw/zinc/96/30/96/1028963096.db2.gz AGGKAVXUIOMMRP-AWEZNQCLSA-N 0 0 331.485 3.548 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1C[C@H]1c1ccccc1C)C2 ZINC000076960262 1029059091 /nfs/dbraw/zinc/05/90/91/1029059091.db2.gz XFSVKQXQYPJZQJ-PMACEKPBSA-N 0 0 348.446 3.642 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000076988220 1029069320 /nfs/dbraw/zinc/06/93/20/1029069320.db2.gz KTPUXPYTNJDJGI-BJLQDIEVSA-N 0 0 339.410 3.838 10 0 EHAERN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000251552714 1029131979 /nfs/dbraw/zinc/13/19/79/1029131979.db2.gz FUIGUTSENDRLAW-VIKVFOODSA-N 0 0 338.373 3.939 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000077854459 1029163459 /nfs/dbraw/zinc/16/34/59/1029163459.db2.gz XTEMXOBJVDSLOJ-DLBZAZTESA-N 0 0 344.480 3.761 10 0 EHAERN C[C@H](CC(=O)N(C)[C@H]1CCCc2c1cnn2C)Cc1cccc(F)c1 ZINC000154501476 1029194157 /nfs/dbraw/zinc/19/41/57/1029194157.db2.gz LEOXNZXMVJQGIN-KSSFIOAISA-N 0 0 343.446 3.664 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]2CCO[C@H]21 ZINC000245943713 1029501846 /nfs/dbraw/zinc/50/18/46/1029501846.db2.gz BCELKBBAKVRLHX-CYZMBNFOSA-N 0 0 347.764 3.902 10 0 EHAERN c1cc(O[C@@H]2CCOC2)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246001827 1029561638 /nfs/dbraw/zinc/56/16/38/1029561638.db2.gz ZWEJUJAJKDHNLU-FCGDIQPGSA-N 0 0 329.440 3.614 10 0 EHAERN CCN(Cc1ccccc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155767907 1029653841 /nfs/dbraw/zinc/65/38/41/1029653841.db2.gz CVFMUIBHEAUXML-UHFFFAOYSA-N 0 0 343.496 3.949 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1CCN(c2cccs2)CC1 ZINC000156105682 1029749385 /nfs/dbraw/zinc/74/93/85/1029749385.db2.gz NJYMRHNTJYCMNY-QZTJIDSGSA-N 0 0 340.492 3.945 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c(C)c1 ZINC000156379876 1029818586 /nfs/dbraw/zinc/81/85/86/1029818586.db2.gz JUCMYXGTLNYPOV-UHFFFAOYSA-N 0 0 326.444 3.524 10 0 EHAERN Cc1ccc(C)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000156360805 1029823544 /nfs/dbraw/zinc/82/35/44/1029823544.db2.gz JCVHHEXMUKEEBX-UHFFFAOYSA-N 0 0 326.444 3.524 10 0 EHAERN c1ncn(C2CCN(Cc3csc(C4CCCCC4)n3)CC2)n1 ZINC000156555742 1029871113 /nfs/dbraw/zinc/87/11/13/1029871113.db2.gz SMXQXASLECUCQR-UHFFFAOYSA-N 0 0 331.489 3.619 10 0 EHAERN C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC000089697501 1029974406 /nfs/dbraw/zinc/97/44/06/1029974406.db2.gz XSTNJBRFEZNJBB-STQMWFEESA-N 0 0 330.432 3.574 10 0 EHAERN C[C@H](CCO)NC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000156967489 1030169861 /nfs/dbraw/zinc/16/98/61/1030169861.db2.gz RFNKQEWWKHKDOK-IAQYHMDHSA-N 0 0 338.860 3.561 10 0 EHAERN C[C@@H](O)CN(C)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000091213007 1030242246 /nfs/dbraw/zinc/24/22/46/1030242246.db2.gz UQEGJHUHIXIPDG-ABAIWWIYSA-N 0 0 338.860 3.513 10 0 EHAERN O=S1(=O)CC[C@@H](Nc2cccc(-c3cnco3)c2)c2ccccc21 ZINC000193910736 1030625721 /nfs/dbraw/zinc/62/57/21/1030625721.db2.gz DNNHNJFMCMOWNU-MRXNPFEDSA-N 0 0 340.404 3.672 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C(C)(C)c3cccs3)CC2)nc1 ZINC000157675222 1030739997 /nfs/dbraw/zinc/73/99/97/1030739997.db2.gz LJIGIGQIGOZVCD-UHFFFAOYSA-N 0 0 343.496 3.514 10 0 EHAERN CCc1nc(CCNC(=O)N2CC=C(c3ccccc3)CC2)cs1 ZINC000171079034 1030765394 /nfs/dbraw/zinc/76/53/94/1030765394.db2.gz QIPDGFDDYMAYMG-UHFFFAOYSA-N 0 0 341.480 3.747 10 0 EHAERN CC(C)Cc1nc(C(=O)N2CCC(Cc3ccccn3)CC2)cs1 ZINC000171609260 1030800660 /nfs/dbraw/zinc/80/06/60/1030800660.db2.gz KHVGQYOCAAIIML-UHFFFAOYSA-N 0 0 343.496 3.832 10 0 EHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171722901 1030811378 /nfs/dbraw/zinc/81/13/78/1030811378.db2.gz DBZCBWPRYJWLKR-JTQLQIEISA-N 0 0 339.511 3.519 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccncc1 ZINC000171732025 1030811553 /nfs/dbraw/zinc/81/15/53/1030811553.db2.gz YJDDWTPLZGFJCX-CZUORRHYSA-N 0 0 338.436 3.688 10 0 EHAERN O=C(c1cccnc1N1CCCC1)N1CC=C(c2cccs2)CC1 ZINC000172092351 1030830440 /nfs/dbraw/zinc/83/04/40/1030830440.db2.gz VISIGDJJJVJRGK-UHFFFAOYSA-N 0 0 339.464 3.673 10 0 EHAERN C[C@]1(c2nc(C3CCCC3)no2)CCCN1C(=O)c1ccccc1 ZINC000172214435 1030871273 /nfs/dbraw/zinc/87/12/73/1030871273.db2.gz WTJPISOWUCLVKV-LJQANCHMSA-N 0 0 325.412 3.879 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)n(C)n3)C2)cc1 ZINC000173448736 1031090286 /nfs/dbraw/zinc/09/02/86/1031090286.db2.gz UISNFDSTXMAKFE-GDBMZVCRSA-N 0 0 341.455 3.570 10 0 EHAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CC=C(c2ccccc2)CC1 ZINC000173761605 1031106030 /nfs/dbraw/zinc/10/60/30/1031106030.db2.gz ULZYKOYQSSRISO-UHFFFAOYSA-N 0 0 347.418 3.893 10 0 EHAERN C[C@H](CCc1cccn1C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000173844308 1031149148 /nfs/dbraw/zinc/14/91/48/1031149148.db2.gz VCYLOTSMOGVXDI-OAHLLOKOSA-N 0 0 343.496 3.907 10 0 EHAERN Cc1ccc([C@@H]2CSCCN2C(=O)N[C@H](C)c2ccncc2)cc1 ZINC000116521648 1031212702 /nfs/dbraw/zinc/21/27/02/1031212702.db2.gz NXFQQKCCBHUDNG-QAPCUYQASA-N 0 0 341.480 3.951 10 0 EHAERN CCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000174918672 1031258184 /nfs/dbraw/zinc/25/81/84/1031258184.db2.gz ZVZBOBGFACZIRO-ZWKOTPCHSA-N 0 0 339.439 3.523 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccncc1 ZINC000174815068 1031258846 /nfs/dbraw/zinc/25/88/46/1031258846.db2.gz JYQXOSKLUNOLGE-JKSUJKDBSA-N 0 0 341.480 3.966 10 0 EHAERN O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCCn2ccnc21 ZINC000174926625 1031259600 /nfs/dbraw/zinc/25/96/00/1031259600.db2.gz NPWUULALLDTBGJ-SFHVURJKSA-N 0 0 331.419 3.990 10 0 EHAERN CO[C@@H](C)c1nc(CN2CCC(c3nc(C)cs3)CC2)cs1 ZINC000175147652 1031280656 /nfs/dbraw/zinc/28/06/56/1031280656.db2.gz OMWICLMJZVAHHJ-LBPRGKRZSA-N 0 0 337.514 3.995 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000175277152 1031320351 /nfs/dbraw/zinc/32/03/51/1031320351.db2.gz NRLQIJLJOPGJKO-WMZOPIPTSA-N 0 0 344.503 3.579 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000175874425 1031360082 /nfs/dbraw/zinc/36/00/82/1031360082.db2.gz PASZPTDSUIFGID-XLIONFOSSA-N 0 0 331.375 3.579 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175874458 1031361198 /nfs/dbraw/zinc/36/11/98/1031361198.db2.gz PASZPTDSUIFGID-FXAWDEMLSA-N 0 0 331.375 3.579 10 0 EHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncncc1Cl ZINC000175938917 1031369906 /nfs/dbraw/zinc/36/99/06/1031369906.db2.gz HIRDCHLJIHDFBG-ZBFHGGJFSA-N 0 0 329.831 3.928 10 0 EHAERN O=C(c1occc1Br)N1CCC(Cc2ccccn2)CC1 ZINC000176027735 1031407341 /nfs/dbraw/zinc/40/73/41/1031407341.db2.gz SILXOZZYRCENQG-UHFFFAOYSA-N 0 0 349.228 3.532 10 0 EHAERN C/C(=C\C(=O)N[C@H]1CCCn2nc(C(C)C)nc21)c1cccc(F)c1 ZINC000176702998 1031451646 /nfs/dbraw/zinc/45/16/46/1031451646.db2.gz MVHKVIUCICXVNC-ISBHARSQSA-N 0 0 342.418 3.595 10 0 EHAERN CC(C)(C)c1ncsc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000176749839 1031456568 /nfs/dbraw/zinc/45/65/68/1031456568.db2.gz GZKLGGFQSZHXHR-LLVKDONJSA-N 0 0 335.498 3.917 10 0 EHAERN Cc1ccc([C@H]2CN(CCC(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000158795423 1031615652 /nfs/dbraw/zinc/61/56/52/1031615652.db2.gz VLEGXUSKJISRIZ-QGZVFWFLSA-N 0 0 348.830 3.644 10 0 EHAERN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cccc(N)c1 ZINC000178466444 1031666762 /nfs/dbraw/zinc/66/67/62/1031666762.db2.gz YCCFFUULGMOFCV-IBGZPJMESA-N 0 0 346.434 3.952 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)/C=C/Sc2ccccc2)CC1 ZINC000178539412 1031678184 /nfs/dbraw/zinc/67/81/84/1031678184.db2.gz ADBFLVYZTYBCBJ-NTEUORMPSA-N 0 0 341.480 3.507 10 0 EHAERN Nc1cccc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000178852185 1031735425 /nfs/dbraw/zinc/73/54/25/1031735425.db2.gz FTKNTXIUTCPPGC-GOSISDBHSA-N 0 0 337.810 3.837 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@H]2CCCC(C)(C)C2)c2ccccc2)[nH]1 ZINC000178854465 1031735657 /nfs/dbraw/zinc/73/56/57/1031735657.db2.gz PHORZEICLWBFHU-JKSUJKDBSA-N 0 0 326.444 3.535 10 0 EHAERN Cc1noc(C)c1[C@H](C)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000179251994 1031763536 /nfs/dbraw/zinc/76/35/36/1031763536.db2.gz LCNNQYRYCHCBEC-CQSZACIVSA-N 0 0 341.455 3.661 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000179486871 1031780181 /nfs/dbraw/zinc/78/01/81/1031780181.db2.gz MYOKVHZIFLLSSW-OAHLLOKOSA-N 0 0 340.427 3.690 10 0 EHAERN Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cccc1N(C)C ZINC000180116948 1031800458 /nfs/dbraw/zinc/80/04/58/1031800458.db2.gz BPEHFGGKLLMVRQ-WMZOPIPTSA-N 0 0 341.459 3.563 10 0 EHAERN O=C(Cc1ccc(-n2cccn2)cc1)N1CC=C(c2cccs2)CC1 ZINC000117722103 1031843610 /nfs/dbraw/zinc/84/36/10/1031843610.db2.gz XKIYJGPAOKZVHP-UHFFFAOYSA-N 0 0 349.459 3.792 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc(Cl)ccc3F)CC2)nc1 ZINC000180852222 1031912522 /nfs/dbraw/zinc/91/25/22/1031912522.db2.gz RRBYDVVMSWHKOO-UHFFFAOYSA-N 0 0 348.805 3.866 10 0 EHAERN O=C(CN1CC=C(c2cccs2)CC1)Nc1ccc(F)cc1F ZINC000117895817 1031919973 /nfs/dbraw/zinc/91/99/73/1031919973.db2.gz UEYMUEXIYNXJON-UHFFFAOYSA-N 0 0 334.391 3.754 10 0 EHAERN CC(=O)[C@H](C)CCCCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000181196044 1031952366 /nfs/dbraw/zinc/95/23/66/1031952366.db2.gz FLIFFQYVMKFONB-MRXNPFEDSA-N 0 0 346.471 3.545 10 0 EHAERN CC[C@@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccc(OC)cc1 ZINC000181519090 1031999069 /nfs/dbraw/zinc/99/90/69/1031999069.db2.gz INBUNBBMPQIVIG-IEBWSBKVSA-N 0 0 343.423 3.690 10 0 EHAERN O=C(NC[C@H]1CCCCO1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332967108 1032020964 /nfs/dbraw/zinc/02/09/64/1032020964.db2.gz VPNITSLOWZTZGL-WBVHZDCISA-N 0 0 344.455 3.691 10 0 EHAERN CC(C)(C)NC(=O)CSCc1noc(-c2ccc(Cl)cc2)n1 ZINC000105632606 1033502216 /nfs/dbraw/zinc/50/22/16/1033502216.db2.gz ZTCFECLKVMTXEW-UHFFFAOYSA-N 0 0 339.848 3.538 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)CCO2)o1 ZINC000120993858 1034284526 /nfs/dbraw/zinc/28/45/26/1034284526.db2.gz QJTALGNJZJZEHX-MDZRGWNJSA-N 0 0 342.439 3.863 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnn(C(C)(C)C)c3)C2)cc1 ZINC000121145832 1034475656 /nfs/dbraw/zinc/47/56/56/1034475656.db2.gz DLNQEOCLJMJZDU-HOCLYGCPSA-N 0 0 341.455 3.665 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3c(C)noc3Cl)C2)cc1 ZINC000121294217 1034638975 /nfs/dbraw/zinc/63/89/75/1034638975.db2.gz HOLATAWBIDADJR-FZMZJTMJSA-N 0 0 348.830 3.592 10 0 EHAERN Cn1cc(CN2C[C@H]3CCC(=O)c4cccc2c43)c(-c2ccncc2)n1 ZINC000185628760 1035504779 /nfs/dbraw/zinc/50/47/79/1035504779.db2.gz LAPNWJBHVSDBPD-OAHLLOKOSA-N 0 0 344.418 3.562 10 0 EHAERN CC(=O)Nc1cccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000186061167 1035573447 /nfs/dbraw/zinc/57/34/47/1035573447.db2.gz VERSIOVKASWGBB-OAHLLOKOSA-N 0 0 346.434 3.953 10 0 EHAERN CC(C)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186657221 1035678789 /nfs/dbraw/zinc/67/87/89/1035678789.db2.gz MIAPKEUENCRJII-AWEZNQCLSA-N 0 0 344.459 3.954 10 0 EHAERN CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186696184 1035688226 /nfs/dbraw/zinc/68/82/26/1035688226.db2.gz LMESXJNMVKCINE-OCCSQVGLSA-N 0 0 330.432 3.754 10 0 EHAERN CC[C@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186696199 1035689191 /nfs/dbraw/zinc/68/91/91/1035689191.db2.gz LMESXJNMVKCINE-JSGCOSHPSA-N 0 0 330.432 3.754 10 0 EHAERN CN1Cc2cc(NC(=O)N[C@@H]3CC34CCCCC4)ccc2NC1=O ZINC000186703526 1035692162 /nfs/dbraw/zinc/69/21/62/1035692162.db2.gz DPRYVGXIOPDRFP-OAHLLOKOSA-N 0 0 328.416 3.508 10 0 EHAERN O=C(CCN1CCO[C@H](c2cccs2)C1)c1ccc(F)cc1F ZINC000187168854 1035779893 /nfs/dbraw/zinc/77/98/93/1035779893.db2.gz YFLVQCQKONNNAP-INIZCTEOSA-N 0 0 337.391 3.673 10 0 EHAERN Cc1coc2ccc(NC(=O)N3CC[C@@H](Oc4cccnc4)C3)cc12 ZINC000187943596 1035869429 /nfs/dbraw/zinc/86/94/29/1035869429.db2.gz DGMAJJBEJFHXPG-MRXNPFEDSA-N 0 0 337.379 3.821 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cccc(OCc2ccccc2)c1 ZINC000188335517 1035911725 /nfs/dbraw/zinc/91/17/25/1035911725.db2.gz UQHSFHCUBNIQEC-VAMGGRTRSA-N 0 0 337.419 3.563 10 0 EHAERN O=C(Nc1cc(F)ccc1F)N1CCC(Nc2nccs2)CC1 ZINC000188332708 1035912477 /nfs/dbraw/zinc/91/24/77/1035912477.db2.gz JOILJMUDHNYDLU-UHFFFAOYSA-N 0 0 338.383 3.530 10 0 EHAERN CC[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)CC[C@@H]1c1ccccc1 ZINC000188606136 1035963238 /nfs/dbraw/zinc/96/32/38/1035963238.db2.gz KDFDUPSMUOCNPB-BEFAXECRSA-N 0 0 348.446 3.837 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000188841917 1035990734 /nfs/dbraw/zinc/99/07/34/1035990734.db2.gz SQCBOOOLENANDE-HNAYVOBHSA-N 0 0 339.435 3.697 10 0 EHAERN O=C(c1cc2sccc2[nH]1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000189345878 1036060809 /nfs/dbraw/zinc/06/08/09/1036060809.db2.gz RFMAGEYBNNQJAD-LJQANCHMSA-N 0 0 338.432 3.544 10 0 EHAERN CC(C)c1nnc2n1CCN(CCC(Cl)(Cl)Cl)[C@H]2C ZINC000189518415 1036081201 /nfs/dbraw/zinc/08/12/01/1036081201.db2.gz WDJZHJJORJDADW-VIFPVBQESA-N 0 0 325.671 3.538 10 0 EHAERN O=C(/C=C/c1ccccc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190397761 1036208862 /nfs/dbraw/zinc/20/88/62/1036208862.db2.gz VWFFJHINHGYNFM-AATRIKPKSA-N 0 0 347.871 3.913 10 0 EHAERN C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000332815783 1036221823 /nfs/dbraw/zinc/22/18/23/1036221823.db2.gz YZRFMBUUOMYPBG-BZUAXINKSA-N 0 0 346.519 3.716 10 0 EHAERN CC(C)(C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1F ZINC000190423871 1036236868 /nfs/dbraw/zinc/23/68/68/1036236868.db2.gz XZXFRJRXBOBDKX-UHFFFAOYSA-N 0 0 347.459 3.663 10 0 EHAERN Cc1ccc(C[C@@H](C)C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190419405 1036237139 /nfs/dbraw/zinc/23/71/39/1036237139.db2.gz LJVPKRODQSWLCA-OAHLLOKOSA-N 0 0 343.496 3.733 10 0 EHAERN O=C(c1ccc2c(c1)CCCC2)N1CCC(Nc2nccs2)CC1 ZINC000190417870 1036237371 /nfs/dbraw/zinc/23/73/71/1036237371.db2.gz UIIMMNNTNJHYKZ-UHFFFAOYSA-N 0 0 341.480 3.739 10 0 EHAERN O=C(c1cc2ccccc2o1)N1CCC(Nc2nccs2)CC1 ZINC000190428673 1036238263 /nfs/dbraw/zinc/23/82/63/1036238263.db2.gz GNEAHNZKXAZMFP-UHFFFAOYSA-N 0 0 327.409 3.606 10 0 EHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190434752 1036239835 /nfs/dbraw/zinc/23/98/35/1036239835.db2.gz YPVAYLOBOQHBQY-SJORKVTESA-N 0 0 341.480 3.658 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000191177390 1036325700 /nfs/dbraw/zinc/32/57/00/1036325700.db2.gz LBTJYWXZEODPIE-RDJZCZTQSA-N 0 0 344.455 3.610 10 0 EHAERN Cc1csc([C@@H](C)CNC(=O)N[C@H]2CCOc3c(C)cccc32)n1 ZINC000191420497 1036380257 /nfs/dbraw/zinc/38/02/57/1036380257.db2.gz JLSPFVNYGGENJA-WFASDCNBSA-N 0 0 345.468 3.686 10 0 EHAERN Cc1cnccc1CC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191534943 1036409052 /nfs/dbraw/zinc/40/90/52/1036409052.db2.gz PCGTVCQMULSGHN-HNNXBMFYSA-N 0 0 330.378 3.617 10 0 EHAERN Cn1c(CN2CCC[C@@H](c3cc(F)ccc3F)C2)nnc1C1CCC1 ZINC000191689532 1036433497 /nfs/dbraw/zinc/43/34/97/1036433497.db2.gz VBFKMNUAYPWCPA-CQSZACIVSA-N 0 0 346.425 3.740 10 0 EHAERN c1cnn(CCCCCN2CC3(CCOCC3)c3ccccc32)c1 ZINC000192280462 1036490774 /nfs/dbraw/zinc/49/07/74/1036490774.db2.gz YJFDJKDUJBZCIE-UHFFFAOYSA-N 0 0 325.456 3.622 10 0 EHAERN COCc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000192541826 1036526183 /nfs/dbraw/zinc/52/61/83/1036526183.db2.gz CQGIQYCKRXEFFK-QGZVFWFLSA-N 0 0 342.443 3.552 10 0 EHAERN COCc1ccc(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000192545800 1036526760 /nfs/dbraw/zinc/52/67/60/1036526760.db2.gz WHXHCZHTRYHHNB-GUYCJALGSA-N 0 0 326.396 3.519 10 0 EHAERN CC[C@H](C(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000193339658 1036594915 /nfs/dbraw/zinc/59/49/15/1036594915.db2.gz DXRJKXZMIWZRLV-ROUUACIJSA-N 0 0 334.423 3.513 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1cccc(C)c1)C2 ZINC000193403861 1036597021 /nfs/dbraw/zinc/59/70/21/1036597021.db2.gz AFOZSZLZRQNTQS-MDZDMXLPSA-N 0 0 334.419 3.552 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)n1 ZINC000102646597 1036737396 /nfs/dbraw/zinc/73/73/96/1036737396.db2.gz DEYVBOILNVOABX-AWEZNQCLSA-N 0 0 330.453 3.625 10 0 EHAERN CC(=O)N[C@H](CC(=O)N(C(C)C)C1CCCCC1)c1ccccc1 ZINC000103390707 1036899350 /nfs/dbraw/zinc/89/93/50/1036899350.db2.gz OZWBBNFMJGIFBJ-LJQANCHMSA-N 0 0 330.472 3.824 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(C)n(C2CC2)c1C ZINC000104457738 1037042085 /nfs/dbraw/zinc/04/20/85/1037042085.db2.gz UCEAMOJAGZOJSU-UHFFFAOYSA-N 0 0 326.440 3.763 10 0 EHAERN CCSc1ccc(C(=O)N(C)CCc2ccccc2OC)cn1 ZINC000104461466 1037043874 /nfs/dbraw/zinc/04/38/74/1037043874.db2.gz BDNWTZBYTACGSC-UHFFFAOYSA-N 0 0 330.453 3.517 10 0 EHAERN Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000175387086 1037060758 /nfs/dbraw/zinc/06/07/58/1037060758.db2.gz KJOGCKKPKSLPCL-AWEZNQCLSA-N 0 0 336.482 3.676 10 0 EHAERN COCCOc1c(Cl)cccc1NCc1nc(-c2ccoc2)no1 ZINC000105607051 1037202204 /nfs/dbraw/zinc/20/22/04/1037202204.db2.gz CEMDLOMGBXRFRL-UHFFFAOYSA-N 0 0 349.774 3.620 10 0 EHAERN COC(=O)CCCCCNc1ncnc2sc3c(c21)CCCC3 ZINC000104732666 1037369530 /nfs/dbraw/zinc/36/95/30/1037369530.db2.gz KIIXEGMVVMVXIJ-UHFFFAOYSA-N 0 0 333.457 3.715 10 0 EHAERN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCCCCC3)C2)n1 ZINC000101857455 1037576541 /nfs/dbraw/zinc/57/65/41/1037576541.db2.gz FYQOUKGCPUNWGS-QGZVFWFLSA-N 0 0 343.471 3.538 10 0 EHAERN C[N@@H+]1Cc2ccc(N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2C1 ZINC000111372904 1037731671 /nfs/dbraw/zinc/73/16/71/1037731671.db2.gz VLVROEQJWPLYAY-QGZVFWFLSA-N 0 0 341.842 3.503 10 0 EHAERN CC(C)OCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219002 1037778657 /nfs/dbraw/zinc/77/86/57/1037778657.db2.gz MXSVESXNTWIMTM-KRWDZBQOSA-N 0 0 341.455 3.598 10 0 EHAERN CC(C)[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(F)cc1F ZINC000366333582 1037798527 /nfs/dbraw/zinc/79/85/27/1037798527.db2.gz YKKNNCFEDCGEIN-WMZOPIPTSA-N 0 0 340.414 3.608 10 0 EHAERN CCOc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114805474 1037810041 /nfs/dbraw/zinc/81/00/41/1037810041.db2.gz MYWVYPNOJYBFFQ-ZDUSSCGKSA-N 0 0 331.441 3.953 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000114805033 1037811795 /nfs/dbraw/zinc/81/17/95/1037811795.db2.gz AIFUYQNIBYUCAA-LBPRGKRZSA-N 0 0 347.440 3.572 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H]1CCOC2(CCCC2)C1 ZINC000247083734 1037824766 /nfs/dbraw/zinc/82/47/66/1037824766.db2.gz WUYLTZWYUHEQGO-MCIONIFRSA-N 0 0 348.409 3.899 10 0 EHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117586622 1037854962 /nfs/dbraw/zinc/85/49/62/1037854962.db2.gz RFYNLDVWVGNDSF-XCLFUZPHSA-N 0 0 347.418 3.992 10 0 EHAERN COc1cccc(C2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)c1 ZINC000179767115 1037916835 /nfs/dbraw/zinc/91/68/35/1037916835.db2.gz RRYCYQLVPCKUGI-HXUWFJFHSA-N 0 0 339.435 3.525 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)n[nH]3)C2)cc1 ZINC000121190779 1037955408 /nfs/dbraw/zinc/95/54/08/1037955408.db2.gz UROYMQRBGHCUAC-ZFWWWQNUSA-N 0 0 327.428 3.560 10 0 EHAERN C[C@H](Sc1ccccc1Cl)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104913715 1038119108 /nfs/dbraw/zinc/11/91/08/1038119108.db2.gz ZKYNRONCCZMORY-ZFWWWQNUSA-N 0 0 349.883 3.540 10 0 EHAERN C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@H]1C ZINC000408068988 1038626775 /nfs/dbraw/zinc/62/67/75/1038626775.db2.gz KBXKQGMGQUZTCJ-CABCVRRESA-N 0 0 329.444 3.575 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000408407815 1039412747 /nfs/dbraw/zinc/41/27/47/1039412747.db2.gz XWUFUZZSUBMWKO-CPUCHLNUSA-N 0 0 343.471 3.634 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245972956 1039675726 /nfs/dbraw/zinc/67/57/26/1039675726.db2.gz WOZRHMNEFBAYJU-CVAIRZPRSA-N 0 0 346.446 3.540 10 0 EHAERN CCc1ccc(CC)c(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000151424844 1040102754 /nfs/dbraw/zinc/10/27/54/1040102754.db2.gz KXYYVTPULHVLTQ-XLIONFOSSA-N 0 0 330.472 3.970 10 0 EHAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000332777429 1040120787 /nfs/dbraw/zinc/12/07/87/1040120787.db2.gz WBZRDTXPFKZHLP-IXDOHACOSA-N 0 0 347.434 3.986 10 0 EHAERN O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000332906226 1040184469 /nfs/dbraw/zinc/18/44/69/1040184469.db2.gz SHBVYAGEDKAPTE-ZLGJRNTRSA-N 0 0 348.874 3.843 10 0 EHAERN O=C(NC[C@H]1CCC2(CCCCC2)O1)N[C@@H]1CCOc2ccccc21 ZINC000332954175 1040219203 /nfs/dbraw/zinc/21/92/03/1040219203.db2.gz ZAMOCYTXDVXRJV-NVXWUHKLSA-N 0 0 344.455 3.691 10 0 EHAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000120020145 1040362490 /nfs/dbraw/zinc/36/24/90/1040362490.db2.gz XMJLMJUBHVNGIP-YJBOKZPZSA-N 0 0 341.455 3.719 10 0 EHAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCCC(C)(C)C1 ZINC000408443559 1040766246 /nfs/dbraw/zinc/76/62/46/1040766246.db2.gz QQLWPCOUIFRDGF-UHFFFAOYSA-N 0 0 331.460 3.741 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000408444756 1040819292 /nfs/dbraw/zinc/81/92/92/1040819292.db2.gz WYBXGXXMRINTGB-UHFFFAOYSA-N 0 0 329.444 3.857 10 0 EHAERN Cc1ccc(C(C)(C)CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000120524036 1040846649 /nfs/dbraw/zinc/84/66/49/1040846649.db2.gz ZKIVRJCOXXEPLS-RXVVDRJESA-N 0 0 344.499 3.609 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000153042160 1041270393 /nfs/dbraw/zinc/27/03/93/1041270393.db2.gz CXTBEXHACSLUMF-ZVZYQTTQSA-N 0 0 330.472 3.550 10 0 EHAERN O=C(c1ccccc1)[C@H](CCCCOc1ccccc1)n1cncn1 ZINC000252495841 1041322965 /nfs/dbraw/zinc/32/29/65/1041322965.db2.gz PCSREBFOVZSWQV-IBGZPJMESA-N 0 0 335.407 3.951 10 0 EHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCO1 ZINC000043907153 1041782278 /nfs/dbraw/zinc/78/22/78/1041782278.db2.gz MDFUMVAWTQTTFQ-HIFRSBDPSA-N 0 0 346.427 3.807 10 0 EHAERN Cc1cc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2C)cc2n[nH]cc21 ZINC000408152618 1041882688 /nfs/dbraw/zinc/88/26/88/1041882688.db2.gz CCXBOMGVFWLPJR-CQSZACIVSA-N 0 0 349.438 3.744 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000408216977 1042647910 /nfs/dbraw/zinc/64/79/10/1042647910.db2.gz XTLUNBOAKLIXBM-BARDWOONSA-N 0 0 334.464 3.864 10 0 EHAERN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330302506 1042865138 /nfs/dbraw/zinc/86/51/38/1042865138.db2.gz JNGTTXJIZKNPAQ-JJRVBVJISA-N 0 0 326.444 3.725 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)CC(C)(C)C1 ZINC000408373779 1044322725 /nfs/dbraw/zinc/32/27/25/1044322725.db2.gz MOHOVYXGRIATOT-UKRRQHHQSA-N 0 0 343.471 3.919 10 0 EHAERN COc1ccc([C@@H](C)NCc2nc(-c3ccccc3)no2)cc1F ZINC000102699827 1127766395 /nfs/dbraw/zinc/76/63/95/1127766395.db2.gz VFXCFSOVRPFOCR-GFCCVEGCSA-N 0 0 327.359 3.735 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000268931412 1128728848 /nfs/dbraw/zinc/72/88/48/1128728848.db2.gz XMZJBXNNNFESSM-KZULUSFZSA-N 0 0 332.831 3.589 10 0 EHAERN Cc1cc(=O)c(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c[nH]1 ZINC000268926428 1128729080 /nfs/dbraw/zinc/72/90/80/1128729080.db2.gz LGAOGRNZXRVRTP-MRXNPFEDSA-N 0 0 338.407 3.662 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCc3c2cnn3C)c2ccccc21 ZINC000269854722 1128795775 /nfs/dbraw/zinc/79/57/75/1128795775.db2.gz UVLFYRFLGOJMPL-JEBQAFNWSA-N 0 0 338.455 3.735 10 0 EHAERN Cc1ccc(/C=C\CC(=O)N2CCSC3(CCOCC3)C2)cc1 ZINC000588493796 1129463530 /nfs/dbraw/zinc/46/35/30/1129463530.db2.gz HFPKRPZDVXRWRA-IHWYPQMZSA-N 0 0 331.481 3.523 10 0 EHAERN O=C(N[C@@H]1CCCc2sccc21)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000282656116 1131134844 /nfs/dbraw/zinc/13/48/44/1131134844.db2.gz PNLJEVLIMGWUSG-VQHPVUNQSA-N 0 0 348.512 3.851 10 0 EHAERN CCCCC[C@H](C)NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101768236 1135390421 /nfs/dbraw/zinc/39/04/21/1135390421.db2.gz NIWXIWXFDPNOIY-JKSUJKDBSA-N 0 0 339.524 3.538 10 0 EHAERN O=C(CCSc1nc2ccccc2s1)OCc1cccnc1 ZINC000102707089 1135628436 /nfs/dbraw/zinc/62/84/36/1135628436.db2.gz AVOPKYPSRXIVEC-UHFFFAOYSA-N 0 0 330.434 3.917 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)c1ccccc1OCC1CC1 ZINC000101635920 1137871132 /nfs/dbraw/zinc/87/11/32/1137871132.db2.gz ATUSMXFLTJIOSQ-UHFFFAOYSA-N 0 0 330.815 3.796 10 0 EHAERN CCN(C(=O)Cc1ccc(C)s1)c1ccc(Br)cn1 ZINC000102254378 1137872538 /nfs/dbraw/zinc/87/25/38/1137872538.db2.gz RZUSODKBQFXPBW-UHFFFAOYSA-N 0 0 339.258 3.810 10 0 EHAERN O=C(NCCc1cccc(O)c1)N(Cc1ccco1)C1CCCC1 ZINC000105229997 1137880573 /nfs/dbraw/zinc/88/05/73/1137880573.db2.gz RCWSILVPFOHSKK-UHFFFAOYSA-N 0 0 328.412 3.682 10 0 EHAERN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1C[C@@H]2CCC[C@@H]21 ZINC000333361365 1138280915 /nfs/dbraw/zinc/28/09/15/1138280915.db2.gz UJQKLXNCZBDFGT-ZOBUZTSGSA-N 0 0 330.428 3.651 10 0 EHAERN CC[C@@H](C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000184583515 1140109685 /nfs/dbraw/zinc/10/96/85/1140109685.db2.gz IEAHWUIHFOCQAH-CJNGLKHVSA-N 0 0 343.431 3.741 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCCOc2ccccc2)cs1 ZINC000187114277 1140239533 /nfs/dbraw/zinc/23/95/33/1140239533.db2.gz RIBNCTYPPINYRX-KRWDZBQOSA-N 0 0 330.453 3.974 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000190102522 1140386246 /nfs/dbraw/zinc/38/62/46/1140386246.db2.gz NLYZXWDAOWQWCQ-IRXDYDNUSA-N 0 0 329.444 3.638 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc(Cl)c2Cl)C1 ZINC000190152756 1140388969 /nfs/dbraw/zinc/38/89/69/1140388969.db2.gz VNACBZUJUWHNAN-YPMHNXCESA-N 0 0 342.226 3.647 10 0 EHAERN CCOC(=O)[C@@H](Nc1cccc(Br)c1)C1CCCC1 ZINC000050272731 214051830 /nfs/dbraw/zinc/05/18/30/214051830.db2.gz RPPPSNCXDSFDCH-AWEZNQCLSA-N 0 0 326.234 3.983 10 0 EHAERN CCNc1ncc(Br)cc1C(=O)N(C)C(CC)CC ZINC000050754691 214069669 /nfs/dbraw/zinc/06/96/69/214069669.db2.gz TWFQVAMFELUYSY-UHFFFAOYSA-N 0 0 328.254 3.537 10 0 EHAERN Cc1nnc(SCCNc2ccc(Br)cc2)s1 ZINC000053622937 214191114 /nfs/dbraw/zinc/19/11/14/214191114.db2.gz YAVMQWVFYUDYEY-UHFFFAOYSA-N 0 0 330.276 3.813 10 0 EHAERN COc1ccc([C@@H](O)c2cccc(F)c2F)c(Br)c1 ZINC000054213854 214224526 /nfs/dbraw/zinc/22/45/26/214224526.db2.gz GFZSROMENOIVTG-CQSZACIVSA-N 0 0 329.140 3.818 10 0 EHAERN O=S1(=O)N=C(N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000059514333 214621791 /nfs/dbraw/zinc/62/17/91/214621791.db2.gz JXTKCVHIKLLAPS-UHFFFAOYSA-N 0 0 334.400 3.974 10 0 EHAERN CC(=O)c1cccc(Oc2nc3ccc(C)cc3n3c(C)nnc23)c1 ZINC000065096498 214828490 /nfs/dbraw/zinc/82/84/90/214828490.db2.gz LLXUVAOHMCRZHV-UHFFFAOYSA-N 0 0 332.363 3.889 10 0 EHAERN Cc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NC(C)C)cc1 ZINC000065210127 214842123 /nfs/dbraw/zinc/84/21/23/214842123.db2.gz BIFXQUXVYQUDGC-UHFFFAOYSA-N 0 0 337.423 3.728 10 0 EHAERN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(O)cc1C ZINC000047157879 213833580 /nfs/dbraw/zinc/83/35/80/213833580.db2.gz DGDKVMHGQHWCKI-UHFFFAOYSA-N 0 0 337.379 3.873 10 0 EHAERN COc1ccc([C@@H](C)NC(=O)Nc2ccccc2N(C)C)cc1OC ZINC000047146046 213832682 /nfs/dbraw/zinc/83/26/82/213832682.db2.gz SNBDQONZXJAKFV-CYBMUJFWSA-N 0 0 343.427 3.653 10 0 EHAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000102734973 219226551 /nfs/dbraw/zinc/22/65/51/219226551.db2.gz IQTMICPQJDUERU-AOOOYVTPSA-N 0 0 329.705 3.814 10 0 EHAERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H]1C[C@@H]1c1ccco1 ZINC000067041487 215106622 /nfs/dbraw/zinc/10/66/22/215106622.db2.gz JKAHNLKCZWUIHM-QWHCGFSZSA-N 0 0 344.798 3.802 10 0 EHAERN COC(=O)[C@]1(Nc2cccc(Br)c2)CCC[C@@H](C)C1 ZINC000104178308 219355402 /nfs/dbraw/zinc/35/54/02/219355402.db2.gz DMIPETKKLKTYLZ-ABAIWWIYSA-N 0 0 326.234 3.983 10 0 EHAERN COc1ccc([C@@H]([NH3+])c2sccc2Br)c(OC)c1 ZINC000104297723 219371820 /nfs/dbraw/zinc/37/18/20/219371820.db2.gz KHFJRCMSFRNWHZ-GFCCVEGCSA-N 0 0 328.231 3.576 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782540 213387145 /nfs/dbraw/zinc/38/71/45/213387145.db2.gz XHIHFUGAWXCJPV-UHFFFAOYSA-N 0 0 326.331 3.742 10 0 EHAERN CC(C)Oc1ncnc(N(Cc2ccccc2)c2ccccn2)c1N ZINC000040795893 213386599 /nfs/dbraw/zinc/38/65/99/213386599.db2.gz BKAPVRLHNAFTJO-UHFFFAOYSA-N 0 0 335.411 3.579 10 0 EHAERN Nc1c(Nc2nccs2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040755678 213383566 /nfs/dbraw/zinc/38/35/66/213383566.db2.gz XXBYRFFUGZDASD-UHFFFAOYSA-N 0 0 342.472 3.640 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)n1 ZINC000040685773 213369758 /nfs/dbraw/zinc/36/97/58/213369758.db2.gz RJFAQMNRSDKELV-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)c1C ZINC000040684762 213369656 /nfs/dbraw/zinc/36/96/56/213369656.db2.gz DIVXLLJAVVXPPW-UHFFFAOYSA-N 0 0 349.394 3.892 10 0 EHAERN CC(C)Nc1ncnc(N(Cc2ccccc2)c2ccccn2)c1N ZINC000040708306 213371722 /nfs/dbraw/zinc/37/17/22/213371722.db2.gz SUSKXYOYVXMFCS-UHFFFAOYSA-N 0 0 334.427 3.612 10 0 EHAERN Cc1ccnc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1 ZINC000040701349 213371767 /nfs/dbraw/zinc/37/17/67/213371767.db2.gz DTNATPNFOQNCJZ-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN COc1cccc(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)c1 ZINC000040359381 213293546 /nfs/dbraw/zinc/29/35/46/213293546.db2.gz RIFNLVCSNQVJPM-UHFFFAOYSA-N 0 0 342.782 3.751 10 0 EHAERN Cc1nnc(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)o1 ZINC000040323198 213292161 /nfs/dbraw/zinc/29/21/61/213292161.db2.gz KTIVHRXKWCRVRK-UHFFFAOYSA-N 0 0 327.771 3.875 10 0 EHAERN CN(C(=O)Cn1c2ccccc2nc1-c1ccco1)c1ccccc1 ZINC000040239079 213284217 /nfs/dbraw/zinc/28/42/17/213284217.db2.gz KAQKPOLTUKVTCJ-UHFFFAOYSA-N 0 0 331.375 3.959 10 0 EHAERN CCCCCCn1c(CNC(=O)c2ccncc2)nc2ccccc21 ZINC000040183772 213280979 /nfs/dbraw/zinc/28/09/79/213280979.db2.gz UYDDNGKMYVAJGT-UHFFFAOYSA-N 0 0 336.439 3.942 10 0 EHAERN CSc1nn2cc(-c3ccc(Br)cc3)nc2s1 ZINC000039239032 213233083 /nfs/dbraw/zinc/23/30/83/213233083.db2.gz VEENUCUVOHYPEC-UHFFFAOYSA-N 0 0 326.244 3.942 10 0 EHAERN COc1cccc(-c2cnc(Nc3ccc(-n4ccnc4)nc3)o2)c1 ZINC000038821145 213227045 /nfs/dbraw/zinc/22/70/45/213227045.db2.gz NHHXVXXNXLBOCG-UHFFFAOYSA-N 0 0 333.351 3.675 10 0 EHAERN O=C(NCc1ccccn1)c1csc(Nc2cccc(Cl)c2)n1 ZINC000038488159 213210036 /nfs/dbraw/zinc/21/00/36/213210036.db2.gz QTJAZKNUNDOONB-UHFFFAOYSA-N 0 0 344.827 3.865 10 0 EHAERN C[C@@H](NC(=O)c1ccc(Cl)nc1)c1cccc(Br)c1 ZINC000037983338 213181708 /nfs/dbraw/zinc/18/17/08/213181708.db2.gz SLFCQDCLYFMLPP-SECBINFHSA-N 0 0 339.620 3.989 10 0 EHAERN COC(=O)[C@H](Nc1ccccc1Br)C1CCCCC1 ZINC000037960007 213176138 /nfs/dbraw/zinc/17/61/38/213176138.db2.gz VORKJSMLHORLSL-CQSZACIVSA-N 0 0 326.234 3.983 10 0 EHAERN CCOc1ccc(-n2nnc(C(=O)Oc3cccc(C)c3)c2C)cc1 ZINC000036639007 213106146 /nfs/dbraw/zinc/10/61/46/213106146.db2.gz ZXLXDMVIYUYKST-UHFFFAOYSA-N 0 0 337.379 3.502 10 0 EHAERN Cc1ccc(Oc2nc3sccn3c2CO)c(Br)c1 ZINC000035429469 213026890 /nfs/dbraw/zinc/02/68/90/213026890.db2.gz GAYQOAAGDWEQDQ-UHFFFAOYSA-N 0 0 339.214 3.751 10 0 EHAERN NC(=S)c1ccc(OCc2ccc(Br)cc2F)cc1 ZINC000035284973 213017235 /nfs/dbraw/zinc/01/72/35/213017235.db2.gz SISWTEXUMOXXEF-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN CCCCCn1c(=O)oc(=O)c2cc(Cl)cc(Br)c21 ZINC000033494497 212943033 /nfs/dbraw/zinc/94/30/33/212943033.db2.gz ZMSDEIIAPOTDAX-UHFFFAOYSA-N 0 0 346.608 3.561 10 0 EHAERN Cc1cc(=O)c2cc(C(=O)Nc3ccnc4ccc(F)cc43)ccc2[nH]1 ZINC000032608271 212817971 /nfs/dbraw/zinc/81/79/71/212817971.db2.gz QPVOTPBZPLLARE-UHFFFAOYSA-N 0 0 347.349 3.776 10 0 EHAERN COc1cncc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c1 ZINC000072146839 216034075 /nfs/dbraw/zinc/03/40/75/216034075.db2.gz DRHGHELTFCXUJV-UHFFFAOYSA-N 0 0 331.379 3.641 10 0 EHAERN CCCN(C(=O)CC(C)=O)[C@H](C)c1ccccc1Br ZINC000037839381 213169809 /nfs/dbraw/zinc/16/98/09/213169809.db2.gz BJMPHUJWGYOMCG-GFCCVEGCSA-N 0 0 326.234 3.728 10 0 EHAERN COc1ccccc1NC(=O)c1ccc(-c2ccc(C)cc2)[nH]c1=O ZINC000072451026 216238963 /nfs/dbraw/zinc/23/89/63/216238963.db2.gz QABWZLZDPUOAJR-UHFFFAOYSA-N 0 0 334.375 3.611 10 0 EHAERN CCCCN1CN(c2ccc(C)cc2)c2nc(C)c(CC)c(=O)n2C1 ZINC000072441843 216235129 /nfs/dbraw/zinc/23/51/29/216235129.db2.gz QTXJNHCWFJBYPW-UHFFFAOYSA-N 0 0 340.471 3.591 10 0 EHAERN C[C@H](Nc1cccc(C(N)=O)c1)c1ccc(Br)s1 ZINC000038001906 213185959 /nfs/dbraw/zinc/18/59/59/213185959.db2.gz VJSSYKMVUDPGRR-QMMMGPOBSA-N 0 0 325.231 3.783 10 0 EHAERN Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000022216292 212282316 /nfs/dbraw/zinc/28/23/16/212282316.db2.gz ZKQBSWWXIHWQRE-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN COC(=O)CC(=Nc1c(C)cc(C)cc1C)C(=O)NC1CCCCC1 ZINC000021946515 212265563 /nfs/dbraw/zinc/26/55/63/212265563.db2.gz BAVHYGXQKKVANQ-ATVHPVEESA-N 0 0 344.455 3.530 10 0 EHAERN Cc1ccc(NC2CCC3(CC2)OCCO3)c(Br)c1 ZINC000019901674 212081075 /nfs/dbraw/zinc/08/10/75/212081075.db2.gz DDZJAKSFHIKCST-UHFFFAOYSA-N 0 0 326.234 3.855 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1Br ZINC000019874410 212078580 /nfs/dbraw/zinc/07/85/80/212078580.db2.gz NCYBCGPYODVOOP-UHFFFAOYSA-N 0 0 349.203 3.763 10 0 EHAERN Nc1ccc2oc(-c3ccccc3I)nc2c1 ZINC000019484126 212032502 /nfs/dbraw/zinc/03/25/02/212032502.db2.gz BHQBRFMNZCHBOX-UHFFFAOYSA-N 0 0 336.132 3.682 10 0 EHAERN O=C(c1cccs1)N1CCCN(Cc2ccccc2Cl)CC1 ZINC000078670951 217099166 /nfs/dbraw/zinc/09/91/66/217099166.db2.gz IBUCVVJOLGKJBC-UHFFFAOYSA-N 0 0 334.872 3.750 10 0 EHAERN CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)O2)cc1 ZINC000009584774 211105622 /nfs/dbraw/zinc/10/56/22/211105622.db2.gz ULGXLXMJZXVMTQ-GOSISDBHSA-N 0 0 344.798 3.978 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3ccccc3nc2Cl)C1 ZINC000095083324 218274762 /nfs/dbraw/zinc/27/47/62/218274762.db2.gz CDRZNJYYRMOLPQ-LLVKDONJSA-N 0 0 349.818 3.671 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCOCC(=O)c2ccco2)CC1 ZINC000095083781 218275924 /nfs/dbraw/zinc/27/59/24/218275924.db2.gz URQPDXKRSDYICL-UHFFFAOYSA-N 0 0 337.416 3.516 10 0 EHAERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2s1 ZINC000095075471 218272488 /nfs/dbraw/zinc/27/24/88/218272488.db2.gz VMETUUZOSQBQGF-CYBMUJFWSA-N 0 0 347.484 3.990 10 0 EHAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000095078256 218273370 /nfs/dbraw/zinc/27/33/70/218273370.db2.gz HKZMRSQXLYQIMF-MRXNPFEDSA-N 0 0 341.842 3.699 10 0 EHAERN Cc1cnc(OC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1Cl ZINC000095090454 218280048 /nfs/dbraw/zinc/28/00/48/218280048.db2.gz HTPJYXJLKGEWGL-LBPRGKRZSA-N 0 0 341.839 3.607 10 0 EHAERN CCC(=O)Oc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000008906831 211016710 /nfs/dbraw/zinc/01/67/10/211016710.db2.gz CUEFURLJQJFAAI-UHFFFAOYSA-N 0 0 338.157 3.610 10 0 EHAERN O=C(NC1CC1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578603 258062189 /nfs/dbraw/zinc/06/21/89/258062189.db2.gz GYRJUSQSPDWPMK-UHFFFAOYSA-N 0 0 349.365 3.967 10 0 EHAERN OCc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1 ZINC000165263623 226117951 /nfs/dbraw/zinc/11/79/51/226117951.db2.gz XKTFLOVOLSVWKZ-UHFFFAOYSA-N 0 0 327.290 3.655 10 0 EHAERN CC(C)[C@@H](Sc1nnc(C2CC2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000030628575 519801423 /nfs/dbraw/zinc/80/14/23/519801423.db2.gz PFRWJSOZBKSQDD-SWLSCSKDSA-N 0 0 344.484 3.676 10 0 EHAERN O=C(NC1CCC2(CCCCC2)CC1)c1cccc2c1OCC(=O)N2 ZINC000188334460 527505375 /nfs/dbraw/zinc/50/53/75/527505375.db2.gz AMLCNVFYVKEFGV-UHFFFAOYSA-N 0 0 342.439 3.640 10 0 EHAERN Cc1nc(Cl)cc(-c2ccc(I)cc2)n1 ZINC000409432612 563962136 /nfs/dbraw/zinc/96/21/36/563962136.db2.gz WUSAKKHWQGQPFK-UHFFFAOYSA-N 0 0 330.556 3.710 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000583621257 564018105 /nfs/dbraw/zinc/01/81/05/564018105.db2.gz FGDGDFZERGBEAJ-YOEHRIQHSA-N 0 0 349.352 3.638 10 0 EHAERN Cc1ccc2c(cc3c(=O)n(Cc4cccc(Cl)c4)nc(C)n32)c1 ZINC000006803369 564033557 /nfs/dbraw/zinc/03/35/57/564033557.db2.gz XEETZDXTAPCMMS-UHFFFAOYSA-N 0 0 337.810 3.968 10 0 EHAERN CN(CCOc1ccc(Br)cc1F)C(=O)OC(C)(C)C ZINC000299805491 564060850 /nfs/dbraw/zinc/06/08/50/564060850.db2.gz QCVZBAAECJINDB-UHFFFAOYSA-N 0 0 348.212 3.834 10 0 EHAERN CC(C)C(=O)[C@H]1CCCN(c2ccc(F)cc2Br)C1=O ZINC000536951562 564091756 /nfs/dbraw/zinc/09/17/56/564091756.db2.gz WPAAOPLGGSJFCZ-LLVKDONJSA-N 0 0 342.208 3.556 10 0 EHAERN O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@H]1c1nncn1CC1CC1 ZINC000169793269 564101293 /nfs/dbraw/zinc/10/12/93/564101293.db2.gz HXPXTXPBGVWPTG-SFHVURJKSA-N 0 0 349.438 3.537 10 0 EHAERN CC1(C)CC[NH+](Cc2cc(C(=O)[O-])ccc2Br)CC1 ZINC000675073617 564112815 /nfs/dbraw/zinc/11/28/15/564112815.db2.gz QYBKNPQJMSEPHQ-UHFFFAOYSA-N 0 0 326.234 3.769 10 0 EHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000048545431 564129352 /nfs/dbraw/zinc/12/93/52/564129352.db2.gz DJRPQMHBMBPIIH-JXMROGBWSA-N 0 0 342.351 3.572 10 0 EHAERN c1cc2cc(-c3cnc4ccc(NC5CCOCC5)nn43)ccc2o1 ZINC000115131047 564129532 /nfs/dbraw/zinc/12/95/32/564129532.db2.gz NKOBRSDHMMNMFS-UHFFFAOYSA-N 0 0 334.379 3.733 10 0 EHAERN COc1ccsc1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 ZINC000328638404 564137115 /nfs/dbraw/zinc/13/71/15/564137115.db2.gz WIQAUKYCIDMELL-NSHDSACASA-N 0 0 336.482 3.714 10 0 EHAERN Cc1ccc(Br)cc1C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000692148792 968911730 /nfs/dbraw/zinc/91/17/30/968911730.db2.gz BCGWYMINERYFIA-UHFFFAOYSA-N 0 0 328.250 3.690 10 0 EHAERN Cn1ccnc1CC1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182238345 1032081060 /nfs/dbraw/zinc/08/10/60/1032081060.db2.gz XYVBSABVNILBSY-UHFFFAOYSA-N 0 0 339.270 3.577 10 0 EHAERN O=C([O-])c1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cs1 ZINC000705279491 977271954 /nfs/dbraw/zinc/27/19/54/977271954.db2.gz NNJVCHGEQRPEFF-UHFFFAOYSA-N 0 0 345.464 3.923 10 0 EHAERN CCc1csc([C@H]2CCCN(C(=O)c3cccc4cn[nH]c43)C2)n1 ZINC000113201868 1016323801 /nfs/dbraw/zinc/32/38/01/1016323801.db2.gz VICOTJBKCKWKHC-ZDUSSCGKSA-N 0 0 340.452 3.602 10 0 EHAERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ncoc1[C@H]1CCCO1 ZINC000407980644 1016685008 /nfs/dbraw/zinc/68/50/08/1016685008.db2.gz NGOQVWFIZYNIPK-FYMRZPMTSA-N 0 0 344.455 3.815 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NC2CCC(F)(F)CC2)no1 ZINC000408020778 1016993178 /nfs/dbraw/zinc/99/31/78/1016993178.db2.gz IUSMEXDMAPXACI-LBPRGKRZSA-N 0 0 342.390 3.617 10 0 EHAERN Cc1[nH]c2c(cccc2C(=O)N2CCCN(c3ccccn3)CC2)c1C ZINC000184234345 1032276755 /nfs/dbraw/zinc/27/67/55/1032276755.db2.gz NWTNBOBCOIKEOC-UHFFFAOYSA-N 0 0 348.450 3.532 10 0 EHAERN CCc1noc(C2CCC(Nc3cccc4c3OCC[C@@H]4O)CC2)n1 ZINC000184570679 1032297177 /nfs/dbraw/zinc/29/71/77/1032297177.db2.gz FLRFNZMYUMZECO-ZUEPYMLJSA-N 0 0 343.427 3.586 10 0 EHAERN COc1cccc([C@@H]2CN(CCC(Cl)(Cl)Cl)CCO2)c1 ZINC000184625398 1032311511 /nfs/dbraw/zinc/31/15/11/1032311511.db2.gz SFYODJWGAVGMFU-ZDUSSCGKSA-N 0 0 338.662 3.829 10 0 EHAERN COc1ccc([C@H](NC(=O)/C(C)=C/C(C)(C)C)c2nccn2C)cc1 ZINC000185182566 1032357626 /nfs/dbraw/zinc/35/76/26/1032357626.db2.gz DJUDRRZWZAYZKA-CLVCIHKQSA-N 0 0 341.455 3.627 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3cccs3)C2)c1 ZINC000081642528 1032615859 /nfs/dbraw/zinc/61/58/59/1032615859.db2.gz RRYKBWJSUCAXDI-CQSZACIVSA-N 0 0 345.464 3.714 10 0 EHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330146178 1018359529 /nfs/dbraw/zinc/35/95/29/1018359529.db2.gz LKKGYKOTPHNLGC-TXPKVOOTSA-N 0 0 348.491 3.649 10 0 EHAERN Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333208563 1018840968 /nfs/dbraw/zinc/84/09/68/1018840968.db2.gz PCRGKGGAKGDHSK-BEFAXECRSA-N 0 0 327.428 3.635 10 0 EHAERN COCc1c(Br)cccc1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085636363 1019112858 /nfs/dbraw/zinc/11/28/58/1019112858.db2.gz PUMUXIXPASXTMD-VQISRLSMSA-N 0 0 340.261 3.821 10 0 EHAERN CCC[C@@]1(C)CCCN(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000153921817 1032954678 /nfs/dbraw/zinc/95/46/78/1032954678.db2.gz WSXPXOUKCHFDRE-KXBFYZLASA-N 0 0 347.507 3.848 10 0 EHAERN C[C@@H](NC(=O)Nc1ccccc1N(C)C1CCCC1)[C@@H]1CCCO1 ZINC000121131153 1021456517 /nfs/dbraw/zinc/45/65/17/1021456517.db2.gz KRPNLQVZHABDJL-KDOFPFPSSA-N 0 0 331.460 3.754 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](C)c1csnn1)C12CC3CC(CC(C3)C1)C2 ZINC000334057082 1021934303 /nfs/dbraw/zinc/93/43/03/1021934303.db2.gz VXMNDMLIARKYLT-ANBUCNSHSA-N 0 0 334.489 3.503 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C ZINC000333781768 1022136204 /nfs/dbraw/zinc/13/62/04/1022136204.db2.gz VKRBWGGMUSAWRT-FFZOFVMBSA-N 0 0 344.499 3.947 10 0 EHAERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000334094337 1022152579 /nfs/dbraw/zinc/15/25/79/1022152579.db2.gz QGOPAYWYOBFTHP-ULQDDVLXSA-N 0 0 330.476 3.863 10 0 EHAERN COc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c(OC)c1 ZINC000333823600 1022210153 /nfs/dbraw/zinc/21/01/53/1022210153.db2.gz KGKMGJBTWUQBBQ-QUHUKJRKSA-N 0 0 330.428 3.604 10 0 EHAERN CCOc1ccc2ccccc2c1COC(=O)/C=C\c1ccncn1 ZINC000588436518 1022259851 /nfs/dbraw/zinc/25/98/51/1022259851.db2.gz POWILGJZXCDUDC-NTMALXAHSA-N 0 0 334.375 3.785 10 0 EHAERN O=C(/C=C\c1ccncn1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000588437315 1022284009 /nfs/dbraw/zinc/28/40/09/1022284009.db2.gz OQFNUUDZURJRMR-KHPPLWFESA-N 0 0 347.422 3.983 10 0 EHAERN O=C(N1CC[C@]2(O)CCCC[C@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000127658831 1022396146 /nfs/dbraw/zinc/39/61/46/1022396146.db2.gz ZAHJHQYPMYACTM-HNAYVOBHSA-N 0 0 333.859 3.525 10 0 EHAERN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127932972 1022404547 /nfs/dbraw/zinc/40/45/47/1022404547.db2.gz BJBUJCBRFVBWRR-LRDDRELGSA-N 0 0 345.336 3.612 10 0 EHAERN O[C@]12CCCC[C@@H]1C[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)CC2 ZINC000128425462 1022434442 /nfs/dbraw/zinc/43/44/42/1022434442.db2.gz JQCOLBDYQKIXNA-BEFAXECRSA-N 0 0 330.403 3.608 10 0 EHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@@H]2CCCCC(=O)N2)s1 ZINC000328634913 1022451414 /nfs/dbraw/zinc/45/14/14/1022451414.db2.gz BTTJTGXQJUBBBK-OLZOCXBDSA-N 0 0 337.489 3.823 10 0 EHAERN CC[C@H](OC(=O)/C=C\c1ccncn1)c1cccc(Br)c1 ZINC000588441311 1022462164 /nfs/dbraw/zinc/46/21/64/1022462164.db2.gz XYKJLPRFSBHIQJ-XHPSBEMXSA-N 0 0 347.212 3.947 10 0 EHAERN COCC1(c2noc([C@@H]3CCC[C@H]4CCCC[C@@H]43)n2)CCOCC1 ZINC000328866947 1022521246 /nfs/dbraw/zinc/52/12/46/1022521246.db2.gz GUYLWKYSHGYNJI-OWCLPIDISA-N 0 0 334.460 3.838 10 0 EHAERN CC(C)c1noc(CCCNC(=O)N(C)CCC2CCCCC2)n1 ZINC000101609452 1022571980 /nfs/dbraw/zinc/57/19/80/1022571980.db2.gz BDDXPAFBMKSULR-UHFFFAOYSA-N 0 0 336.480 3.737 10 0 EHAERN CCO[C@H]1C[C@@H](N(C)Cc2nc(-c3ccsc3)no2)C12CCCC2 ZINC000121209899 1022632541 /nfs/dbraw/zinc/63/25/41/1022632541.db2.gz HCCIWHOPNKXDEA-CABCVRRESA-N 0 0 347.484 3.968 10 0 EHAERN Cc1ccc(F)cc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101737476 1022687382 /nfs/dbraw/zinc/68/73/82/1022687382.db2.gz NCNQHPTYVYEHTQ-CQSZACIVSA-N 0 0 349.450 3.539 10 0 EHAERN Cc1cc([C@@H](C)NC(=O)N2CCO[C@H](c3ccsc3)C2)c(C)o1 ZINC000121777684 1022796796 /nfs/dbraw/zinc/79/67/96/1022796796.db2.gz SUSHVBXUGDTUJQ-WBMJQRKESA-N 0 0 334.441 3.802 10 0 EHAERN Cc1ccc(CCCC(=O)Nc2nc3c(s2)C(=O)CCC3)cc1 ZINC000102152600 1022950197 /nfs/dbraw/zinc/95/01/97/1022950197.db2.gz LCJOICYPLCGDSF-UHFFFAOYSA-N 0 0 328.437 3.932 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1nc2ccccc2n1C(F)F ZINC000588451965 1023020876 /nfs/dbraw/zinc/02/08/76/1023020876.db2.gz DLMFHQNYBNACIX-HJWRWDBZSA-N 0 0 343.333 3.891 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1noc(-c2ccccc2C)n1 ZINC000588453420 1023038220 /nfs/dbraw/zinc/03/82/20/1023038220.db2.gz MEOXOVBWCUFMAB-KTKRTIGZSA-N 0 0 335.363 3.505 10 0 EHAERN CC(C)C[C@@H](NC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1 ZINC000190594709 1023952820 /nfs/dbraw/zinc/95/28/20/1023952820.db2.gz HBCFMCWYOKDUSO-QWFMPGPPSA-N 0 0 338.879 3.840 10 0 EHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329653576 1023986466 /nfs/dbraw/zinc/98/64/66/1023986466.db2.gz LHXAVFSICXGRAX-GVDBMIGSSA-N 0 0 343.471 3.869 10 0 EHAERN COc1ccc(F)c(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000151784358 1024625544 /nfs/dbraw/zinc/62/55/44/1024625544.db2.gz JPAKYKAWSSUWHG-LLVKDONJSA-N 0 0 335.404 3.702 10 0 EHAERN Cc1csc([C@H](C)NC(=O)N2CCC[C@H]2c2csc(C)n2)n1 ZINC000186543827 1024706691 /nfs/dbraw/zinc/70/66/91/1024706691.db2.gz YMQBPQNZYDDCHJ-GWCFXTLKSA-N 0 0 336.486 3.824 10 0 EHAERN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Cl)Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000151958014 1025025201 /nfs/dbraw/zinc/02/52/01/1025025201.db2.gz JPIMSPZICTWRAR-YVLXSGLVSA-N 0 0 346.229 3.698 10 0 EHAERN CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H](C)CC(C)(C)C3)CCO2)o1 ZINC000330344842 1025030551 /nfs/dbraw/zinc/03/05/51/1025030551.db2.gz DKRYXHSLHWSKKR-KFWWJZLASA-N 0 0 349.475 3.555 10 0 EHAERN COc1cccc(-c2nsc(NC(=O)c3ccc(Cl)o3)n2)c1 ZINC000102910980 1025557110 /nfs/dbraw/zinc/55/71/10/1025557110.db2.gz JVXJIXLJTQQHRK-UHFFFAOYSA-N 0 0 335.772 3.712 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)c2oc3ccc(F)cc3c2C)no1 ZINC000329375471 1025792945 /nfs/dbraw/zinc/79/29/45/1025792945.db2.gz LJXWOCGGQKOXOB-CYBMUJFWSA-N 0 0 329.331 3.549 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccccc3N(C)C)c21 ZINC000103234452 1026059711 /nfs/dbraw/zinc/05/97/11/1026059711.db2.gz CKLYLGAFLYJCBK-UHFFFAOYSA-N 0 0 336.439 3.907 10 0 EHAERN O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000103238515 1026063659 /nfs/dbraw/zinc/06/36/59/1026063659.db2.gz ONCRMIPTEINKIH-OAHLLOKOSA-N 0 0 328.803 3.816 10 0 EHAERN C[C@@H]1CCC[C@H](CC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000329623653 1026096824 /nfs/dbraw/zinc/09/68/24/1026096824.db2.gz HONAQPLNQUNKHA-IJEWVQPXSA-N 0 0 331.460 3.869 10 0 EHAERN Cc1cc(-c2noc([C@@H]3C[C@]34CCOC4)n2)ccc1N1CC[C@H](C)C1 ZINC000329628866 1026104200 /nfs/dbraw/zinc/10/42/00/1026104200.db2.gz VXSCTFKEWBDGFC-RISOHXOYSA-N 0 0 339.439 3.785 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000103857512 1026114117 /nfs/dbraw/zinc/11/41/17/1026114117.db2.gz YHIGRHQAKRDNMB-INIZCTEOSA-N 0 0 326.440 3.949 10 0 EHAERN O=C(C[C@H]1CSCCS1)N1CC=C(c2cccs2)CC1 ZINC000152574688 1026359277 /nfs/dbraw/zinc/35/92/77/1026359277.db2.gz MADSFQKAUPBKMP-ZDUSSCGKSA-N 0 0 325.524 3.603 10 0 EHAERN CN(C)c1ccc(C(=O)N2CC=C(c3cccs3)CC2)c(F)c1 ZINC000152575119 1026360348 /nfs/dbraw/zinc/36/03/48/1026360348.db2.gz DGHMRRQRLGWTNZ-UHFFFAOYSA-N 0 0 330.428 3.883 10 0 EHAERN CCc1onc(C)c1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122369214 1026424055 /nfs/dbraw/zinc/42/40/55/1026424055.db2.gz VEEOLJFBGXPJLY-IUODEOHRSA-N 0 0 328.412 3.572 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2ccncc2)C12CCCC2 ZINC000152906828 1026835414 /nfs/dbraw/zinc/83/54/14/1026835414.db2.gz RKPWEKXMKRKETO-BHYGNILZSA-N 0 0 331.460 3.522 10 0 EHAERN O=C(Cc1c[nH]c2ncccc12)Nc1cnccc1-c1cccc(F)c1 ZINC000127263439 1027289231 /nfs/dbraw/zinc/28/92/31/1027289231.db2.gz CHSVPVBGDZYMHH-UHFFFAOYSA-N 0 0 346.365 3.945 10 0 EHAERN COc1cc(F)ccc1NCC(=O)N1CCC[C@H]1c1cccs1 ZINC000045734768 1027340133 /nfs/dbraw/zinc/34/01/33/1027340133.db2.gz GHWYGEIUJPYNSP-AWEZNQCLSA-N 0 0 334.416 3.671 10 0 EHAERN O=C(/C=C/SCc1ccco1)NC1CCN(c2cccs2)CC1 ZINC000129124781 1027522768 /nfs/dbraw/zinc/52/27/68/1027522768.db2.gz HRDDRKNCWPOBCM-KPKJPENVSA-N 0 0 348.493 3.873 10 0 EHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ccccc1-n1ccnc1 ZINC000129197199 1027532003 /nfs/dbraw/zinc/53/20/03/1027532003.db2.gz XBSZFZMHFFATMX-MOPGFXCFSA-N 0 0 331.419 3.601 10 0 EHAERN C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)[C@H]1COc2ccccc21 ZINC000129324366 1027544501 /nfs/dbraw/zinc/54/45/01/1027544501.db2.gz GEMBAFLNLMZNNC-WCBMZHEXSA-N 0 0 325.195 3.616 10 0 EHAERN O=C(c1cccnc1Br)N1CC=C(c2cccs2)CC1 ZINC000129363793 1027548843 /nfs/dbraw/zinc/54/88/43/1027548843.db2.gz HFAAOEJAJXYRHI-UHFFFAOYSA-N 0 0 349.253 3.835 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(Cl)cc2c1OCOC2 ZINC000130698085 1027694948 /nfs/dbraw/zinc/69/49/48/1027694948.db2.gz AOKPRACTHNSBDD-INIZCTEOSA-N 0 0 347.846 3.884 10 0 EHAERN CCC(=O)Nc1ccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1 ZINC000246136525 1027807643 /nfs/dbraw/zinc/80/76/43/1027807643.db2.gz BQIPMOHRPMZOTG-DFQSSKMNSA-N 0 0 349.434 3.885 10 0 EHAERN O=C(NCc1cscn1)NCc1ccc(OC2CCCCC2)cc1 ZINC000102012909 1027847241 /nfs/dbraw/zinc/84/72/41/1027847241.db2.gz UPSZKJNPTZIFNT-UHFFFAOYSA-N 0 0 345.468 3.854 10 0 EHAERN O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246179558 1027893303 /nfs/dbraw/zinc/89/33/03/1027893303.db2.gz DAVKBPWKGGFWTF-TZTCFGBESA-N 0 0 340.345 3.573 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)Cc3ccccc3F)CCO2)o1 ZINC000133339876 1028020052 /nfs/dbraw/zinc/02/00/52/1028020052.db2.gz RXWPEEVSCDSZFZ-FZKQIMNGSA-N 0 0 331.387 3.506 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@@H](C)c3cccc(F)c3)CCO2)o1 ZINC000133839515 1028072723 /nfs/dbraw/zinc/07/27/23/1028072723.db2.gz BKPHXARMPPNIAN-ACJLOTCBSA-N 0 0 331.387 3.821 10 0 EHAERN Cc1cccc2nc(CN3C[C@@H](C)O[C@@H](c4ccsc4)C3)cn21 ZINC000246278349 1028145803 /nfs/dbraw/zinc/14/58/03/1028145803.db2.gz ATQYYCQCQUEWHS-RHSMWYFYSA-N 0 0 327.453 3.666 10 0 EHAERN Cc1nnc(-c2cccc(NC(=O)c3c(O)cnc4ccccc43)c2)o1 ZINC000136938958 1028279996 /nfs/dbraw/zinc/27/99/96/1028279996.db2.gz MMAZGYBNIGBWMP-UHFFFAOYSA-N 0 0 346.346 3.551 10 0 EHAERN O=C(COC1CCCCC1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000066457823 1028324563 /nfs/dbraw/zinc/32/45/63/1028324563.db2.gz VBWXQYJEWHYMFS-UHFFFAOYSA-N 0 0 334.435 3.578 10 0 EHAERN O=C(c1sccc1OC(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000067047317 1028353046 /nfs/dbraw/zinc/35/30/46/1028353046.db2.gz LHHPHFIPULBSOZ-SECBINFHSA-N 0 0 344.408 3.826 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1CCC(c2n[nH]c(=S)n2C(C)C)CC1 ZINC000068446962 1028399272 /nfs/dbraw/zinc/39/92/72/1028399272.db2.gz PJMGHACMCVPBAI-CYBMUJFWSA-N 0 0 338.521 3.910 10 0 EHAERN O=C(c1sc2ccccc2c1Cl)N1CCCN(C2CC2)CC1 ZINC000061605207 1028432432 /nfs/dbraw/zinc/43/24/32/1028432432.db2.gz PCWDOOXFMTZVQI-UHFFFAOYSA-N 0 0 334.872 3.865 10 0 EHAERN CC1(C)CCCC[C@@H]1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000194104532 1028491402 /nfs/dbraw/zinc/49/14/02/1028491402.db2.gz PQYWVJNEQYZGMR-OAHLLOKOSA-N 0 0 348.512 3.639 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CCCCC3(C)C)CC2)nc1 ZINC000194358791 1028510567 /nfs/dbraw/zinc/51/05/67/1028510567.db2.gz MTAZQZKISIJSCP-QGZVFWFLSA-N 0 0 329.488 3.691 10 0 EHAERN CNC(=O)c1ccccc1NCc1ncc(-c2ccccc2Cl)o1 ZINC000072911041 1028526976 /nfs/dbraw/zinc/52/69/76/1028526976.db2.gz KRDCLIAZSLBHJL-UHFFFAOYSA-N 0 0 341.798 3.967 10 0 EHAERN Cc1cccc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000246735770 1028535341 /nfs/dbraw/zinc/53/53/41/1028535341.db2.gz GKSYBKOHRZZZSD-ZWOKBUDYSA-N 0 0 330.472 3.701 10 0 EHAERN c1csc([C@@H](NCc2ccccc2-n2ccnc2)c2ncc[nH]2)c1 ZINC000194998422 1028566870 /nfs/dbraw/zinc/56/68/70/1028566870.db2.gz BMOIZXZXRIDZJV-QGZVFWFLSA-N 0 0 335.436 3.536 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000246740719 1028666754 /nfs/dbraw/zinc/66/67/54/1028666754.db2.gz KQGFRAZZZQKWTN-YLFCFFPRSA-N 0 0 332.492 3.617 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246597156 1028667753 /nfs/dbraw/zinc/66/77/53/1028667753.db2.gz GYYJJIFCCGZDMS-JGGQBBKZSA-N 0 0 332.831 3.817 10 0 EHAERN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000246653843 1028673263 /nfs/dbraw/zinc/67/32/63/1028673263.db2.gz GALPITDZKBKLMQ-NJSLBKSFSA-N 0 0 349.434 3.798 10 0 EHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246669994 1028676394 /nfs/dbraw/zinc/67/63/94/1028676394.db2.gz MBHPIRHSBARKRN-MUGJNUQGSA-N 0 0 327.468 3.941 10 0 EHAERN CN(Cc1nccs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246975450 1028719891 /nfs/dbraw/zinc/71/98/91/1028719891.db2.gz VPWDARRNTVOHTP-OCCSQVGLSA-N 0 0 329.252 3.540 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000247018883 1028726396 /nfs/dbraw/zinc/72/63/96/1028726396.db2.gz UOVSKUJTGUITLV-KCPJHIHWSA-N 0 0 335.835 3.513 10 0 EHAERN CCCCc1noc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000247242578 1028764374 /nfs/dbraw/zinc/76/43/74/1028764374.db2.gz TVNRZQMFFBEQFW-UONOGXRCSA-N 0 0 335.473 3.562 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1csc(-c2cccs2)n1 ZINC000247340257 1028779738 /nfs/dbraw/zinc/77/97/38/1028779738.db2.gz JLCVPUQRWPNGPO-LOWVWBTDSA-N 0 0 334.466 3.559 10 0 EHAERN CCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OCC ZINC000247403734 1028786057 /nfs/dbraw/zinc/78/60/57/1028786057.db2.gz MGIGFZHZSAAWCJ-BBWFWOEESA-N 0 0 347.455 3.562 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(c1ccccc1)c1ccccc1 ZINC000247483160 1028792680 /nfs/dbraw/zinc/79/26/80/1028792680.db2.gz RCEVHUHPSIYZEN-ZCNNSNEGSA-N 0 0 335.447 3.892 10 0 EHAERN Cc1nc(-c2cccc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)c2)cs1 ZINC000247637451 1028807743 /nfs/dbraw/zinc/80/77/43/1028807743.db2.gz VHLWJWGFQBRJAF-LZLYRXPVSA-N 0 0 342.464 3.806 10 0 EHAERN O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCCN(c2ccccn2)CC1 ZINC000248726124 1028942021 /nfs/dbraw/zinc/94/20/21/1028942021.db2.gz KPXMXKWUKOXVOD-GUDVDZBRSA-N 0 0 341.499 3.727 10 0 EHAERN Cc1cc2cc(NC(=O)N3CCO[C@H](c4ccc(C)o4)C3)ccc2[nH]1 ZINC000153964688 1028944619 /nfs/dbraw/zinc/94/46/19/1028944619.db2.gz HFDPKYRCQOALRM-SFHVURJKSA-N 0 0 339.395 3.983 10 0 EHAERN C[C@@H]1CN(C(=O)NCC[C@@](C)(O)c2ccccc2)[C@H]1c1ccccc1 ZINC000249281392 1028973020 /nfs/dbraw/zinc/97/30/20/1028973020.db2.gz PMKUEWDYZQJWPA-OZOXKJRCSA-N 0 0 338.451 3.687 10 0 EHAERN CC(C)(C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(Cl)c1F ZINC000249374038 1029000018 /nfs/dbraw/zinc/00/00/18/1029000018.db2.gz XTEFPOQIJFRPTQ-COLVAYQJSA-N 0 0 339.838 3.686 10 0 EHAERN COc1cc(C)c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000249492620 1029005676 /nfs/dbraw/zinc/00/56/76/1029005676.db2.gz ZWQGPGLFKXAHRZ-CSMYWGQOSA-N 0 0 348.418 3.612 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3sc(C)nc3C)C2)cc1 ZINC000078185670 1029223478 /nfs/dbraw/zinc/22/34/78/1029223478.db2.gz XPBWHGCBSSXOKX-ABAIWWIYSA-N 0 0 330.453 3.787 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccnc(SC)c3)C2)cc1 ZINC000078188267 1029239535 /nfs/dbraw/zinc/23/95/35/1029239535.db2.gz RAABLGCCUSCPDN-BBRMVZONSA-N 0 0 342.464 3.830 10 0 EHAERN CC(=O)Nc1cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1F ZINC000248452969 1029264692 /nfs/dbraw/zinc/26/46/92/1029264692.db2.gz YXOQCMXZWBHBTP-YLVFBTJISA-N 0 0 333.407 3.827 10 0 EHAERN COc1cc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1O ZINC000245782710 1029292473 /nfs/dbraw/zinc/29/24/73/1029292473.db2.gz ZBWOQNRIKGZYDD-DJJJIMSYSA-N 0 0 331.387 3.502 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H]1c1ccco1 ZINC000155650738 1029610682 /nfs/dbraw/zinc/61/06/82/1029610682.db2.gz VCQKZPUXSLROEG-OAHLLOKOSA-N 0 0 345.468 3.857 10 0 EHAERN O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246087140 1029639400 /nfs/dbraw/zinc/63/94/00/1029639400.db2.gz WBJHNMMFFKQZQJ-CUOATXAZSA-N 0 0 342.773 3.697 10 0 EHAERN CN(C)c1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114804341 1029828063 /nfs/dbraw/zinc/82/80/63/1029828063.db2.gz GINPKYHBPDYNHH-ZDUSSCGKSA-N 0 0 330.457 3.621 10 0 EHAERN O[C@H](C[C@H]1CCCN1c1nc(-c2ccccc2)ns1)c1ccco1 ZINC000274579837 1029842858 /nfs/dbraw/zinc/84/28/58/1029842858.db2.gz BKYFLVUVTPJFNH-HUUCEWRRSA-N 0 0 341.436 3.891 10 0 EHAERN CN(C(=O)[C@]1(C)CCCc2ccccc21)[C@@H]1CCCc2c1cnn2C ZINC000157056833 1030225721 /nfs/dbraw/zinc/22/57/21/1030225721.db2.gz VJZMRSTUJFPHMV-WIYYLYMNSA-N 0 0 337.467 3.550 10 0 EHAERN Cc1c(C(=O)N2CCC(Nc3ccccc3F)CC2)cnn1C(C)C ZINC000092477626 1030459457 /nfs/dbraw/zinc/45/94/57/1030459457.db2.gz NLUDKOPZQOZMCL-UHFFFAOYSA-N 0 0 344.434 3.628 10 0 EHAERN Cc1cn2c(CN3CCO[C@H](c4ccsc4)C3)c(C)nc2s1 ZINC000093768560 1030672350 /nfs/dbraw/zinc/67/23/50/1030672350.db2.gz OOXXBFUKKZJRHZ-HNNXBMFYSA-N 0 0 333.482 3.648 10 0 EHAERN O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2ncon2)c1 ZINC000170632857 1030692827 /nfs/dbraw/zinc/69/28/27/1030692827.db2.gz KMJIAESUSDZIQP-UHFFFAOYSA-N 0 0 331.734 3.710 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cnc(-c2ccccn2)s1 ZINC000170782686 1030702839 /nfs/dbraw/zinc/70/28/39/1030702839.db2.gz VIQGWSJCDRVCBR-UHFFFAOYSA-N 0 0 349.375 3.507 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)n1 ZINC000171275167 1030751034 /nfs/dbraw/zinc/75/10/34/1030751034.db2.gz DAZZURXKGUWZJY-UHFFFAOYSA-N 0 0 329.469 3.537 10 0 EHAERN COc1ccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000171643920 1030769133 /nfs/dbraw/zinc/76/91/33/1030769133.db2.gz LOWIDJPHJZAKNY-AWEZNQCLSA-N 0 0 348.443 3.630 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)o1 ZINC000171898505 1030804267 /nfs/dbraw/zinc/80/42/67/1030804267.db2.gz QEQSRPKRBWYNMH-OAHLLOKOSA-N 0 0 327.428 3.708 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000172052405 1030868610 /nfs/dbraw/zinc/86/86/10/1030868610.db2.gz ZGFLZWGMKIQEAF-LIRRHRJNSA-N 0 0 334.375 3.773 10 0 EHAERN CC(C)OCCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000102322225 1030906546 /nfs/dbraw/zinc/90/65/46/1030906546.db2.gz VQMKTONOTBPBFL-UHFFFAOYSA-N 0 0 342.277 3.658 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2cc(F)cc(F)c2)cc1 ZINC000172856134 1031013421 /nfs/dbraw/zinc/01/34/21/1031013421.db2.gz CDVOMGRASYTQNT-SFHVURJKSA-N 0 0 346.377 3.749 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cnc(-c2ccncc2)s1 ZINC000172890027 1031027997 /nfs/dbraw/zinc/02/79/97/1031027997.db2.gz YHTNWQHDBHTTOU-UHFFFAOYSA-N 0 0 349.375 3.507 10 0 EHAERN Fc1ccc(-n2ccc(CN3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000173602869 1031119837 /nfs/dbraw/zinc/11/98/37/1031119837.db2.gz ONNOJOWHPOSBMB-CQSZACIVSA-N 0 0 342.443 3.848 10 0 EHAERN CCOC(=O)CN(Cc1ncc(-c2ccccc2Cl)o1)C1CC1 ZINC000173620543 1031122888 /nfs/dbraw/zinc/12/28/88/1031122888.db2.gz MAUUNZCNKPPNIG-UHFFFAOYSA-N 0 0 334.803 3.523 10 0 EHAERN Cc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1F ZINC000174067647 1031161601 /nfs/dbraw/zinc/16/16/01/1031161601.db2.gz CVQTUFBUNQZUSG-UHFFFAOYSA-N 0 0 330.378 3.990 10 0 EHAERN CCc1nc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)sc1C ZINC000174888481 1031286011 /nfs/dbraw/zinc/28/60/11/1031286011.db2.gz QTGQGIUXVLEXAD-ZIAGYGMSSA-N 0 0 333.461 3.516 10 0 EHAERN O=C(N[C@@H]1COc2ccccc21)N1CCC(OCC2CCCC2)CC1 ZINC000175395259 1031301530 /nfs/dbraw/zinc/30/15/30/1031301530.db2.gz NHEWTSJGALYMKA-GOSISDBHSA-N 0 0 344.455 3.501 10 0 EHAERN COC[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccc(C)o1 ZINC000175688663 1031330374 /nfs/dbraw/zinc/33/03/74/1031330374.db2.gz YRWFKNKNXNMWNH-OAHLLOKOSA-N 0 0 346.452 3.836 10 0 EHAERN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncncc1Cl ZINC000175938936 1031369366 /nfs/dbraw/zinc/36/93/66/1031369366.db2.gz HIRDCHLJIHDFBG-GOEBONIOSA-N 0 0 329.831 3.928 10 0 EHAERN Cc1nc(CCCC(=O)N2CCC[C@H](c3nccs3)C2)cs1 ZINC000176185224 1031392905 /nfs/dbraw/zinc/39/29/05/1031392905.db2.gz LZGJMFLMOHRDKA-ZDUSSCGKSA-N 0 0 335.498 3.637 10 0 EHAERN COc1cccc(/C(C)=C/C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000175976534 1031400984 /nfs/dbraw/zinc/40/09/84/1031400984.db2.gz HEWIGGGXKWQYEL-WSYSLRRZSA-N 0 0 342.464 3.961 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cnc3c(c2)ncn3C)cc1 ZINC000158536060 1031424577 /nfs/dbraw/zinc/42/45/77/1031424577.db2.gz QGGLVWUJFDGMOH-GOSISDBHSA-N 0 0 334.423 3.644 10 0 EHAERN CCC[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000176744708 1031455969 /nfs/dbraw/zinc/45/59/69/1031455969.db2.gz BNLBZNQFSQCHLA-OAHLLOKOSA-N 0 0 348.512 3.639 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)CCc3ccccc3)CCO2)o1 ZINC000179038861 1031727551 /nfs/dbraw/zinc/72/75/51/1031727551.db2.gz JYNZFALUAXECEC-KXBFYZLASA-N 0 0 342.439 3.692 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000179062315 1031730778 /nfs/dbraw/zinc/73/07/78/1031730778.db2.gz VAUVYKWCUWQCLU-RBUKOAKNSA-N 0 0 340.423 3.822 10 0 EHAERN O=C(c1cnc2ccc(F)cc2c1)N1CCC(Cc2ccccn2)CC1 ZINC000179354351 1031741181 /nfs/dbraw/zinc/74/11/81/1031741181.db2.gz OCQZDASOSORVFU-UHFFFAOYSA-N 0 0 349.409 3.864 10 0 EHAERN CC(C)CCOC1CCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000117614342 1031780518 /nfs/dbraw/zinc/78/05/18/1031780518.db2.gz LQILHAOUWFVEPS-BEFAXECRSA-N 0 0 331.456 3.605 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000117627764 1031783100 /nfs/dbraw/zinc/78/31/00/1031783100.db2.gz FZYOPVYPVVISNU-XHDPSFHLSA-N 0 0 336.313 3.542 10 0 EHAERN Cc1ccc([C@H]2CN(CC(=O)Nc3ccc(C)cc3Cl)CCO2)o1 ZINC000159189347 1031923992 /nfs/dbraw/zinc/92/39/92/1031923992.db2.gz SHMKBNKTAMVOPU-QGZVFWFLSA-N 0 0 348.830 3.562 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)nc1 ZINC000181562640 1032004279 /nfs/dbraw/zinc/00/42/79/1032004279.db2.gz FKPLLTPSQWYTEO-QGZVFWFLSA-N 0 0 338.451 3.639 10 0 EHAERN O=C([O-])CCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000181587007 1032007652 /nfs/dbraw/zinc/00/76/52/1032007652.db2.gz TWVLDODEHFKYSB-MRXNPFEDSA-N 0 0 327.428 3.511 10 0 EHAERN Cc1cc(C)c(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(Cl)n1 ZINC000181735710 1032020918 /nfs/dbraw/zinc/02/09/18/1032020918.db2.gz QDVHQDAPGFDTJV-UHFFFAOYSA-N 0 0 342.826 3.987 10 0 EHAERN Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C)c3ccccc32)c(Cl)n1 ZINC000181828493 1032037108 /nfs/dbraw/zinc/03/71/08/1032037108.db2.gz UXFHYRYGXUWHSW-AWEZNQCLSA-N 0 0 343.858 3.705 10 0 EHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c(C)cc(C)nc1Cl ZINC000181955389 1032049049 /nfs/dbraw/zinc/04/90/49/1032049049.db2.gz BAGLDYBAMIEVGL-AWEZNQCLSA-N 0 0 346.862 3.679 10 0 EHAERN CC(C)Cn1ncc2cc(C(=O)N3CCC[C@H]4CCCC[C@H]43)cnc21 ZINC000152753196 1033480255 /nfs/dbraw/zinc/48/02/55/1033480255.db2.gz ADAMEKRFBDABDX-CRAIPNDOSA-N 0 0 340.471 3.882 10 0 EHAERN CCOc1ccccc1CCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525971 1033738356 /nfs/dbraw/zinc/73/83/56/1033738356.db2.gz PVJHKHPCSGCKBH-UHFFFAOYSA-N 0 0 337.379 3.707 10 0 EHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000120856745 1034190221 /nfs/dbraw/zinc/19/02/21/1034190221.db2.gz NPJKETSVKZOYKP-IXWNZZHASA-N 0 0 339.357 3.746 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3[nH]nc4ccccc43)C2)cc1 ZINC000121300351 1034806423 /nfs/dbraw/zinc/80/64/23/1034806423.db2.gz GFGFCQCEVAJOQJ-GOEBONIOSA-N 0 0 349.434 3.519 10 0 EHAERN CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@@H]2CCCCC(=O)N2)no1 ZINC000329926937 1034807141 /nfs/dbraw/zinc/80/71/41/1034807141.db2.gz WOUVNJOGYDHXCQ-UONOGXRCSA-N 0 0 348.447 3.536 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3c(C)oc4ccccc43)CCO2)o1 ZINC000185943885 1035543343 /nfs/dbraw/zinc/54/33/43/1035543343.db2.gz QCWSDTYOJKVSPV-KRWDZBQOSA-N 0 0 325.364 3.856 10 0 EHAERN O=C(CSC[C@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 ZINC000186138025 1035589695 /nfs/dbraw/zinc/58/96/95/1035589695.db2.gz NTCHHAUUKZSWGQ-MRXNPFEDSA-N 0 0 349.471 3.744 10 0 EHAERN O=C(c1cccc2ccccc21)N1CCCN(c2ccccn2)CC1 ZINC000186424038 1035629409 /nfs/dbraw/zinc/62/94/09/1035629409.db2.gz FNXVLFXTMLOXHZ-UHFFFAOYSA-N 0 0 331.419 3.587 10 0 EHAERN CC[C@H](CC(=O)N1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000186444890 1035636059 /nfs/dbraw/zinc/63/60/59/1035636059.db2.gz WJSBIANDLUHPPO-GOSISDBHSA-N 0 0 337.467 3.704 10 0 EHAERN Cc1ccc2[nH]c(C(=O)N3CCCN(c4ccccn4)CC3)cc2c1C ZINC000186446883 1035636497 /nfs/dbraw/zinc/63/64/97/1035636497.db2.gz DFBURJFTSGTTOE-UHFFFAOYSA-N 0 0 348.450 3.532 10 0 EHAERN COc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c(F)c1 ZINC000186529557 1035655315 /nfs/dbraw/zinc/65/53/15/1035655315.db2.gz RKUILTWDCKRKBM-NSHDSACASA-N 0 0 329.375 3.985 10 0 EHAERN CC(=O)Nc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186552636 1035656911 /nfs/dbraw/zinc/65/69/11/1035656911.db2.gz PSYYYPFETCNILN-GFCCVEGCSA-N 0 0 338.411 3.795 10 0 EHAERN CC(C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186619824 1035673321 /nfs/dbraw/zinc/67/33/21/1035673321.db2.gz GLSZHJCPWWOQFF-CYBMUJFWSA-N 0 0 330.432 3.564 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](C)C1 ZINC000186677511 1035685075 /nfs/dbraw/zinc/68/50/75/1035685075.db2.gz MPNITYXRYZOMQL-QWHCGFSZSA-N 0 0 330.432 3.564 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1nccs1 ZINC000187201878 1035785312 /nfs/dbraw/zinc/78/53/12/1035785312.db2.gz ZUMBMPFGBJTODH-YPMHNXCESA-N 0 0 336.486 3.906 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC([C@H]2CCCO2)CC1 ZINC000187628284 1035849358 /nfs/dbraw/zinc/84/93/58/1035849358.db2.gz YAFSZCJVTSUIKK-CSHXORCISA-N 0 0 336.435 3.666 10 0 EHAERN COc1ccc(C)cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188344277 1035912443 /nfs/dbraw/zinc/91/24/43/1035912443.db2.gz WNLWCVOBHCLUIP-UHFFFAOYSA-N 0 0 346.456 3.569 10 0 EHAERN CC(C)c1nnc2n1CCN(Cc1ccc3c(c1)CC(C)(C)O3)[C@H]2C ZINC000188465419 1035938859 /nfs/dbraw/zinc/93/88/59/1035938859.db2.gz FAYJNFPAKJWXOS-AWEZNQCLSA-N 0 0 340.471 3.692 10 0 EHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C3)c1 ZINC000188781456 1035972620 /nfs/dbraw/zinc/97/26/20/1035972620.db2.gz JZNILYNDOBOVHV-IBGZPJMESA-N 0 0 334.419 3.775 10 0 EHAERN CCSCC[C@H](C)NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189381653 1036064155 /nfs/dbraw/zinc/06/41/55/1036064155.db2.gz VWAYDRHOCPFSHG-HNNXBMFYSA-N 0 0 348.512 3.796 10 0 EHAERN Cc1ccn(C)c1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000189801944 1036147847 /nfs/dbraw/zinc/14/78/47/1036147847.db2.gz VKPHOKNCKXUCMP-QGZVFWFLSA-N 0 0 348.450 3.743 10 0 EHAERN C[C@@H](Cc1ccccc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189829931 1036152737 /nfs/dbraw/zinc/15/27/37/1036152737.db2.gz DSMPVSKVGKPQEO-KRWDZBQOSA-N 0 0 335.447 3.960 10 0 EHAERN O=C(c1ccc2cc[nH]c2c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189827272 1036153387 /nfs/dbraw/zinc/15/33/87/1036153387.db2.gz MCFXGSWVTCEHAM-UHFFFAOYSA-N 0 0 332.403 3.877 10 0 EHAERN CSc1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)ccn1 ZINC000189857206 1036156683 /nfs/dbraw/zinc/15/66/83/1036156683.db2.gz CXKVRPWQGBREDT-UHFFFAOYSA-N 0 0 340.448 3.512 10 0 EHAERN CC1=NN(c2ccc(C(=O)N[C@H]3CCOc4c(C)cccc43)cc2)CC1 ZINC000189937343 1036164867 /nfs/dbraw/zinc/16/48/67/1036164867.db2.gz UEHRSVASYWEXAI-IBGZPJMESA-N 0 0 349.434 3.835 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/c1cnc2ccccc2n1 ZINC000190650574 1036271208 /nfs/dbraw/zinc/27/12/08/1036271208.db2.gz PRKDCBOLOJELJE-FVNWOWOISA-N 0 0 345.402 3.591 10 0 EHAERN O=C(NCCc1ccsc1)N1CC2(CCOCC2)c2ccccc21 ZINC000191038182 1036330967 /nfs/dbraw/zinc/33/09/67/1036330967.db2.gz XIRDYUUYOITLAS-UHFFFAOYSA-N 0 0 342.464 3.569 10 0 EHAERN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191203402 1036347066 /nfs/dbraw/zinc/34/70/66/1036347066.db2.gz ZPDNJJRAYJDEDZ-LBPRGKRZSA-N 0 0 345.393 3.587 10 0 EHAERN Cc1cnc([C@H](C)CNC(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000191424139 1036382074 /nfs/dbraw/zinc/38/20/74/1036382074.db2.gz FDDAQUYAFICWTA-DOMZBBRYSA-N 0 0 345.468 3.686 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191532601 1036409380 /nfs/dbraw/zinc/40/93/80/1036409380.db2.gz RSMPMVUDUZBLKX-KXBFYZLASA-N 0 0 345.389 3.795 10 0 EHAERN COCc1ccc(C(=O)N2CCC(Cc3ccccc3OC)CC2)o1 ZINC000102378932 1036417292 /nfs/dbraw/zinc/41/72/92/1036417292.db2.gz NMQYTYIKPYCYEH-UHFFFAOYSA-N 0 0 343.423 3.530 10 0 EHAERN CCCn1nccc1NC(=O)c1[nH]c2ccccc2c1Br ZINC000102380830 1036430330 /nfs/dbraw/zinc/43/03/30/1036430330.db2.gz QCHSTDADWQEPEQ-UHFFFAOYSA-N 0 0 347.216 3.789 10 0 EHAERN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000176129618 1036723953 /nfs/dbraw/zinc/72/39/53/1036723953.db2.gz IYYPZHYVQHRREB-QEECUZNISA-N 0 0 340.467 3.785 10 0 EHAERN c1ccc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000102928908 1036766080 /nfs/dbraw/zinc/76/60/80/1036766080.db2.gz WFJLCPYFIRTGBI-INIZCTEOSA-N 0 0 349.390 3.802 10 0 EHAERN CCN(Cc1ccccc1)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102680150 1036767663 /nfs/dbraw/zinc/76/76/63/1036767663.db2.gz DNWWSECFTMYIFE-OAHLLOKOSA-N 0 0 326.440 3.927 10 0 EHAERN Cc1cc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1F ZINC000103243118 1036860270 /nfs/dbraw/zinc/86/02/70/1036860270.db2.gz QBDIBKIKUJZJNJ-UHFFFAOYSA-N 0 0 338.386 3.984 10 0 EHAERN CC[C@@H](CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000103522570 1036917272 /nfs/dbraw/zinc/91/72/72/1036917272.db2.gz SPDXYYWITNUHDL-OXJNMPFZSA-N 0 0 348.450 3.903 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCc2sccc21 ZINC000126026995 1036988342 /nfs/dbraw/zinc/98/83/42/1036988342.db2.gz UJSBWTGKMTWIHK-KGLIPLIRSA-N 0 0 344.484 3.534 10 0 EHAERN CCC(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000003422961 1036994717 /nfs/dbraw/zinc/99/47/17/1036994717.db2.gz HYIMATPVMIZKNH-INIZCTEOSA-N 0 0 339.435 3.796 10 0 EHAERN O=C(Nc1cccc(-c2nnco2)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000104245200 1036998932 /nfs/dbraw/zinc/99/89/32/1036998932.db2.gz GYWDUGHJOIWECP-UHFFFAOYSA-N 0 0 348.337 3.919 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCCCC[C@@H]1c1ccncc1 ZINC000248808942 1037014802 /nfs/dbraw/zinc/01/48/02/1037014802.db2.gz KIMVVMQGCHDDAD-GUDVDZBRSA-N 0 0 343.471 3.666 10 0 EHAERN FC(F)(F)Oc1cccc(NCc2nc(-c3ccoc3)no2)c1 ZINC000105606490 1037220980 /nfs/dbraw/zinc/22/09/80/1037220980.db2.gz YHQKLXMCYCNPHN-UHFFFAOYSA-N 0 0 325.246 3.840 10 0 EHAERN Cn1ccnc1CC1CCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000106163167 1037608678 /nfs/dbraw/zinc/60/86/78/1037608678.db2.gz YMFOEFHMTZECAT-UHFFFAOYSA-N 0 0 344.528 3.989 10 0 EHAERN COc1cc(CNC(=O)N2CCC[C@H](c3nccs3)C2)ccc1C ZINC000114825494 1037809614 /nfs/dbraw/zinc/80/96/14/1037809614.db2.gz NOSFCDDNBGQASC-HNNXBMFYSA-N 0 0 345.468 3.549 10 0 EHAERN O=C(NCc1cc2ccccc2o1)N1CCC[C@@H](c2nccs2)C1 ZINC000114824146 1037809635 /nfs/dbraw/zinc/80/96/35/1037809635.db2.gz JODZJYRSFHRITJ-CQSZACIVSA-N 0 0 341.436 3.979 10 0 EHAERN Cc1nnc([C@@H]2Cc3ccccc3CN2c2cc(C)nc(C3CC3)n2)o1 ZINC000116260193 1037836058 /nfs/dbraw/zinc/83/60/58/1037836058.db2.gz YCNTXKKBUPNPCB-KRWDZBQOSA-N 0 0 347.422 3.658 10 0 EHAERN CC(=O)Nc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117722456 1037861457 /nfs/dbraw/zinc/86/14/57/1037861457.db2.gz ZACOKAUIZFUJCO-UHFFFAOYSA-N 0 0 326.421 3.636 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000332781727 1037952963 /nfs/dbraw/zinc/95/29/63/1037952963.db2.gz XARYVAPEGBSAGB-LISAXSMJSA-N 0 0 333.476 3.627 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](c3nccn3C)C2)c2ccccc21 ZINC000332761886 1037953321 /nfs/dbraw/zinc/95/33/21/1037953321.db2.gz PFOAAINQUZBLJK-RVKKMQEKSA-N 0 0 338.455 3.558 10 0 EHAERN CCN(C(=O)N[C@H](c1noc(C)n1)c1ccccc1F)[C@H](C)C(C)C ZINC000124446699 1038189277 /nfs/dbraw/zinc/18/92/77/1038189277.db2.gz KHPOXPVKMPLWBK-WBMJQRKESA-N 0 0 348.422 3.683 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)c3c(F)cccc3F)CCO2)o1 ZINC000124722125 1038226563 /nfs/dbraw/zinc/22/65/63/1038226563.db2.gz KODTZQWXKMGTRJ-MLGOLLRUSA-N 0 0 335.350 3.570 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(F)nc3)C2)cc1 ZINC000125351455 1038316100 /nfs/dbraw/zinc/31/61/00/1038316100.db2.gz IMVHKIAGSYDDIE-JSGCOSHPSA-N 0 0 329.375 3.639 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)CCO1 ZINC000245760725 1038798184 /nfs/dbraw/zinc/79/81/84/1038798184.db2.gz VNDZQSXLUREVPI-RKVPGOIHSA-N 0 0 341.455 3.740 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000156496594 1038992585 /nfs/dbraw/zinc/99/25/85/1038992585.db2.gz RVQBCKCSQJDTFZ-SIIHOXLZSA-N 0 0 336.863 3.738 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2Cc2nc(C3CCCC3)no2)no1 ZINC000151730498 1039150417 /nfs/dbraw/zinc/15/04/17/1039150417.db2.gz HIBNBNDXVGGWDS-ZDUSSCGKSA-N 0 0 331.420 3.571 10 0 EHAERN C(NC1(c2noc(C3CC3)n2)CCCC1)c1nc(C2CCCC2)no1 ZINC000154664133 1039602942 /nfs/dbraw/zinc/60/29/42/1039602942.db2.gz UZACRIOTCFCLHO-UHFFFAOYSA-N 0 0 343.431 3.547 10 0 EHAERN C[C@@]1(NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO[C@H]1C1CC1 ZINC000332856719 1040152224 /nfs/dbraw/zinc/15/22/24/1040152224.db2.gz IPRSRQTUMFHOAO-HJRFIPHPSA-N 0 0 348.874 3.843 10 0 EHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC[C@@](C)(O)C1 ZINC000245705216 1040371921 /nfs/dbraw/zinc/37/19/21/1040371921.db2.gz DEABKCSTQORXDJ-OXQOHEQNSA-N 0 0 345.487 3.753 10 0 EHAERN O=C(N[C@H](c1cccs1)C1CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332975606 1040604754 /nfs/dbraw/zinc/60/47/54/1040604754.db2.gz ULUSAZJDWYQBPL-ZVZYQTTQSA-N 0 0 334.485 3.536 10 0 EHAERN Cn1cnc(-c2cccc(NC(=O)N3CCCCC(C)(C)C3)c2)n1 ZINC000408443190 1040774273 /nfs/dbraw/zinc/77/42/73/1040774273.db2.gz ORFDRPSYKBOUAE-UHFFFAOYSA-N 0 0 327.432 3.526 10 0 EHAERN CCCCOc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000249038018 1040893919 /nfs/dbraw/zinc/89/39/19/1040893919.db2.gz YEOGITUHWYHWRH-MSOLQXFVSA-N 0 0 345.443 3.519 10 0 EHAERN C[C@]12CN(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333040041 1041088225 /nfs/dbraw/zinc/08/82/25/1041088225.db2.gz AHAMEQOVPOOQKQ-TXDAXLQXSA-N 0 0 336.439 3.977 10 0 EHAERN COc1ccc2c(CC(=O)NCc3cccc(Cl)c3)coc2c1 ZINC000003562403 1041203926 /nfs/dbraw/zinc/20/39/26/1041203926.db2.gz IQFYFCSWVTZHIZ-UHFFFAOYSA-N 0 0 329.783 3.954 10 0 EHAERN CN(c1ccccc1NC(=O)N[C@H]1CCCC[C@H]1CO)C1CCCC1 ZINC000246396909 1041255809 /nfs/dbraw/zinc/25/58/09/1041255809.db2.gz PCQXTKGGFXYOJA-RDJZCZTQSA-N 0 0 345.487 3.738 10 0 EHAERN O=C(NC1CCC2(CC2)CC1)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333158414 1041383947 /nfs/dbraw/zinc/38/39/47/1041383947.db2.gz GUTFKQYMXFHZJV-CABCVRRESA-N 0 0 334.485 3.990 10 0 EHAERN C[C@H](NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCO1 ZINC000043907149 1041780921 /nfs/dbraw/zinc/78/09/21/1041780921.db2.gz MDFUMVAWTQTTFQ-ZFWWWQNUSA-N 0 0 346.427 3.807 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(C)o1 ZINC000408147356 1041800706 /nfs/dbraw/zinc/80/07/06/1041800706.db2.gz DEVQNKULGUYODU-PAYONLEZSA-N 0 0 334.460 3.683 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1cc(C)cc(C)c1 ZINC000330248898 1042401997 /nfs/dbraw/zinc/40/19/97/1042401997.db2.gz MKEYSZCLOIAXGT-AEFFLSMTSA-N 0 0 338.455 3.626 10 0 EHAERN O=C(NC1CCCC1)c1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1 ZINC000330253595 1042573658 /nfs/dbraw/zinc/57/36/58/1042573658.db2.gz OWAQKLWPFDSKJL-KDOFPFPSSA-N 0 0 341.455 3.765 10 0 EHAERN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000330257042 1042598995 /nfs/dbraw/zinc/59/89/95/1042598995.db2.gz QLPPTYPTZKRCRA-JCGIZDLHSA-N 0 0 330.428 3.651 10 0 EHAERN CCOCCC1(CNC(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000161517590 1042669385 /nfs/dbraw/zinc/66/93/85/1042669385.db2.gz PZEAMDKPGLPMRY-UHFFFAOYSA-N 0 0 334.485 3.754 10 0 EHAERN CSc1ccc(C)c(C(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000162344944 1042721924 /nfs/dbraw/zinc/72/19/24/1042721924.db2.gz CSTUJKJEGUWVIS-UHFFFAOYSA-N 0 0 343.496 3.545 10 0 EHAERN COc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000162520310 1042731972 /nfs/dbraw/zinc/73/19/72/1042731972.db2.gz ZTYMQDKWLGNKLN-AWEZNQCLSA-N 0 0 344.480 3.836 10 0 EHAERN COc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162510829 1042735716 /nfs/dbraw/zinc/73/57/16/1042735716.db2.gz QIJQUBXPFDJMNY-SGTLLEGYSA-N 0 0 340.402 3.701 10 0 EHAERN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162614262 1042742913 /nfs/dbraw/zinc/74/29/13/1042742913.db2.gz ISOUKLQYVLLMDM-VQTJNVASSA-N 0 0 348.450 3.878 10 0 EHAERN CO[C@]1(C)C[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C1(C)C ZINC000408251389 1042861936 /nfs/dbraw/zinc/86/19/36/1042861936.db2.gz AJYOGPLOJWAOCJ-WKQXJPDBSA-N 0 0 336.398 3.610 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1cc2cccc(F)c2o1 ZINC000408287314 1042971367 /nfs/dbraw/zinc/97/13/67/1042971367.db2.gz QEUUEKLNLDBCAQ-KPZWWZAWSA-N 0 0 334.391 3.579 10 0 EHAERN Cc1cc2cc(C(=O)N3CCC[C@@](O)(C(F)(F)F)C3)oc2cc1C ZINC000408304473 1043001287 /nfs/dbraw/zinc/00/12/87/1043001287.db2.gz BHBFBKWDSAQXMR-INIZCTEOSA-N 0 0 341.329 3.579 10 0 EHAERN Fc1cccc2c1N(Cc1nnc(-c3ccccc3Cl)o1)CCO2 ZINC000163637422 1044497524 /nfs/dbraw/zinc/49/75/24/1044497524.db2.gz HSFHAMMZRCLSSP-UHFFFAOYSA-N 0 0 345.761 3.928 10 0 EHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000268289431 1128470937 /nfs/dbraw/zinc/47/09/37/1128470937.db2.gz MQSIUUYNBMEADM-ZYSHUDEJSA-N 0 0 345.487 3.799 10 0 EHAERN Cc1cc(=O)c(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c[nH]1 ZINC000268926420 1128729017 /nfs/dbraw/zinc/72/90/17/1128729017.db2.gz LGAOGRNZXRVRTP-INIZCTEOSA-N 0 0 338.407 3.662 10 0 EHAERN CCc1nnc(C2CCN(C(=O)CC/C=C\c3ccccc3)CC2)[nH]1 ZINC000588583923 1129484618 /nfs/dbraw/zinc/48/46/18/1129484618.db2.gz WXGBRFRXKBTOMV-POHAHGRESA-N 0 0 338.455 3.567 10 0 EHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1cc2ccccc2s1 ZINC000103444592 1132895945 /nfs/dbraw/zinc/89/59/45/1132895945.db2.gz MDFIRQPWIRKCKA-UHFFFAOYSA-N 0 0 334.441 3.546 10 0 EHAERN Cc1cc(C(=O)OCc2cccnc2Cl)nn1-c1ccccc1 ZINC000103813615 1133558286 /nfs/dbraw/zinc/55/82/86/1133558286.db2.gz WXCXBQJSOHPCAX-UHFFFAOYSA-N 0 0 327.771 3.586 10 0 EHAERN Cc1nc(-c2ccco2)ccc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000101948438 1135425513 /nfs/dbraw/zinc/42/55/13/1135425513.db2.gz YIFFIEHTEFOZTE-UHFFFAOYSA-N 0 0 341.798 3.971 10 0 EHAERN CCOc1ccccc1[C@H](CC(=O)OC[C@@H]1CC=CCC1)NC(C)=O ZINC000102907843 1135691707 /nfs/dbraw/zinc/69/17/07/1135691707.db2.gz DFEWJNCGUPHESE-AEFFLSMTSA-N 0 0 345.439 3.552 10 0 EHAERN O=C(OCCc1cccnc1)C1(c2cccc(Br)c2)CC1 ZINC000105556762 1135953806 /nfs/dbraw/zinc/95/38/06/1135953806.db2.gz WTTAEACSMONXGV-UHFFFAOYSA-N 0 0 346.224 3.662 10 0 EHAERN CCc1cc(=O)oc2cc(OCc3nc(-c4ccoc4)no3)ccc12 ZINC000105573046 1135955557 /nfs/dbraw/zinc/95/55/57/1135955557.db2.gz JONVGTVDBVMECY-UHFFFAOYSA-N 0 0 338.319 3.577 10 0 EHAERN CC(C)N(Cc1ccccc1)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103617151 1137418530 /nfs/dbraw/zinc/41/85/30/1137418530.db2.gz OSJOOKJOGJAVMJ-UHFFFAOYSA-N 0 0 349.475 3.521 10 0 EHAERN CN(C[C@H]1CCCO1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000101690945 1137871313 /nfs/dbraw/zinc/87/13/13/1137871313.db2.gz YKNQYSJOVDRMCH-LJQANCHMSA-N 0 0 325.408 3.517 10 0 EHAERN CCOCc1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 ZINC000102538838 1137873238 /nfs/dbraw/zinc/87/32/38/1137873238.db2.gz MAJKRIVELGKXMG-UHFFFAOYSA-N 0 0 333.819 3.935 10 0 EHAERN C[C@@H]1CCCC[C@H]1OCc1noc([C@@H]2CCCN2c2nccs2)n1 ZINC000333497099 1138297214 /nfs/dbraw/zinc/29/72/14/1138297214.db2.gz VQLJGPOPCYDPIH-HZSPNIEDSA-N 0 0 348.472 3.963 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)C1(C)C ZINC000333831924 1138336762 /nfs/dbraw/zinc/33/67/62/1138336762.db2.gz JNRZREJGDKYCKE-QAMTZSDWSA-N 0 0 333.476 3.709 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)c3cc4cccnc4[nH]3)C2)sc1C ZINC000333980702 1138357305 /nfs/dbraw/zinc/35/73/05/1138357305.db2.gz BMLLJQVKWOWAGF-CQSZACIVSA-N 0 0 340.452 3.656 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)cc2)cs1 ZINC000187015194 1140232821 /nfs/dbraw/zinc/23/28/21/1140232821.db2.gz BNPCBEGGKHQTGN-KRWDZBQOSA-N 0 0 338.436 3.615 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)c2ccccc2)cs1 ZINC000188109582 1140283583 /nfs/dbraw/zinc/28/35/83/1140283583.db2.gz PTACNJSALUAEDW-INIZCTEOSA-N 0 0 328.437 3.778 10 0 EHAERN CN(CC1CC(O)C1)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000189357257 1140337190 /nfs/dbraw/zinc/33/71/90/1140337190.db2.gz UTCHIKRXZVMOCK-UHFFFAOYSA-N 0 0 347.499 3.830 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2noc(-c3ccsc3)n2)cs1 ZINC000189747853 1140362331 /nfs/dbraw/zinc/36/23/31/1140362331.db2.gz ZKNUUSAOCPATFS-ZDUSSCGKSA-N 0 0 332.454 3.900 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)NCCC2=CCCCC2)cs1 ZINC000189794197 1140364009 /nfs/dbraw/zinc/36/40/09/1140364009.db2.gz BZJLVZMLKBEENM-KRWDZBQOSA-N 0 0 333.501 3.595 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2C)cs1 ZINC000189836668 1140367432 /nfs/dbraw/zinc/36/74/32/1140367432.db2.gz SXVJZDMESZIJFV-KRWDZBQOSA-N 0 0 329.469 3.844 10 0 EHAERN COc1cc(CN2CCC[C@H]2c2csc(C)n2)cc(OC)c1OC ZINC000189938828 1140372414 /nfs/dbraw/zinc/37/24/14/1140372414.db2.gz ATOIAZQTFUPNOQ-HNNXBMFYSA-N 0 0 348.468 3.814 10 0 EHAERN CC(C)Cc1ccc([C@H](C)NC(=O)COc2ccccc2O)cc1 ZINC000097629407 219041569 /nfs/dbraw/zinc/04/15/69/219041569.db2.gz PFHTZBHWCUZWLJ-HNNXBMFYSA-N 0 0 327.424 3.847 10 0 EHAERN Cc1cc(SCC(=O)c2sccc2Br)n(C)n1 ZINC000052310644 214126268 /nfs/dbraw/zinc/12/62/68/214126268.db2.gz HMRMHNHEPIFMPJ-UHFFFAOYSA-N 0 0 331.260 3.528 10 0 EHAERN COc1cccc(C[C@@H](O)Cc2ccc(Br)s2)c1 ZINC000053785549 214198551 /nfs/dbraw/zinc/19/85/51/214198551.db2.gz PHMSEGLKOOHOBB-LLVKDONJSA-N 0 0 327.243 3.665 10 0 EHAERN O=C(CCOCC(F)(F)F)Cc1ccccc1Br ZINC000055334820 214309063 /nfs/dbraw/zinc/30/90/63/214309063.db2.gz OPDFGTREUZEVHA-UHFFFAOYSA-N 0 0 325.124 3.530 10 0 EHAERN CSc1nc(Cl)c([C@H](O)c2ccccc2)c(N2CCCCC2)n1 ZINC000098178082 219086469 /nfs/dbraw/zinc/08/64/69/219086469.db2.gz TYNLVMLTKYKUCP-CQSZACIVSA-N 0 0 349.887 3.924 10 0 EHAERN Cc1nc(I)ccc1OCc1ccccc1 ZINC000098179600 219086757 /nfs/dbraw/zinc/08/67/57/219086757.db2.gz IVHNYYQKLAONDU-UHFFFAOYSA-N 0 0 325.149 3.574 10 0 EHAERN CCCOc1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000100090718 219091056 /nfs/dbraw/zinc/09/10/56/219091056.db2.gz FBXMUCQTZRJWSC-UHFFFAOYSA-N 0 0 332.450 3.584 10 0 EHAERN OCc1cnc(SCc2ccccc2)n1Cc1ccccc1F ZINC000004381495 210183193 /nfs/dbraw/zinc/18/31/93/210183193.db2.gz JZRNGLCFBWNCKR-UHFFFAOYSA-N 0 0 328.412 3.855 10 0 EHAERN COc1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000003815118 210077493 /nfs/dbraw/zinc/07/74/93/210077493.db2.gz ODVAMUDYBBPTAL-UHFFFAOYSA-N 0 0 331.173 3.540 10 0 EHAERN NS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)cc2)cc1 ZINC000003814661 210076829 /nfs/dbraw/zinc/07/68/29/210076829.db2.gz JAQSXADRWSRLBT-UHFFFAOYSA-N 0 0 327.380 3.807 10 0 EHAERN NC(=S)c1cc(F)ccc1NCc1ccccc1Br ZINC000104242799 219364560 /nfs/dbraw/zinc/36/45/60/219364560.db2.gz LVZGLXDWTOAUPQ-UHFFFAOYSA-N 0 0 339.233 3.835 10 0 EHAERN Nc1cccc(Cl)c1C[S@@](=O)c1ccccc1Br ZINC000104316129 219373284 /nfs/dbraw/zinc/37/32/84/219373284.db2.gz OHXFOUYJWKPCHT-SFHVURJKSA-N 0 0 344.661 3.993 10 0 EHAERN COc1cc(Cl)c(C)cc1NC(=S)NC(=O)c1cccs1 ZINC000040898476 213398606 /nfs/dbraw/zinc/39/86/06/213398606.db2.gz LQHUNGVMQSPXFJ-UHFFFAOYSA-N 0 0 340.857 3.845 10 0 EHAERN CCCCOC(=O)c1cccc(NC(=S)NC(=O)CCCC)c1 ZINC000040898145 213398419 /nfs/dbraw/zinc/39/84/19/213398419.db2.gz ZVWPYJINFINJCZ-UHFFFAOYSA-N 0 0 336.457 3.647 10 0 EHAERN COc1ccccc1Oc1ncnc(Nc2cccnc2Cl)c1N ZINC000040802093 213388671 /nfs/dbraw/zinc/38/86/71/213388671.db2.gz LHULTBLEZDYDAK-UHFFFAOYSA-N 0 0 343.774 3.652 10 0 EHAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1cc(F)ccc1F ZINC000040800003 213388078 /nfs/dbraw/zinc/38/80/78/213388078.db2.gz WEEXKOJUPYDNAJ-UHFFFAOYSA-N 0 0 345.328 3.832 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)nc1 ZINC000040781837 213386206 /nfs/dbraw/zinc/38/62/06/213386206.db2.gz BSNHQFPCIXXWMT-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1cccnc1Nc1ncnc(Oc2cccc3cccnc32)c1N ZINC000040752109 213381804 /nfs/dbraw/zinc/38/18/04/213381804.db2.gz DKWOGRBRJCCMDU-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Sc3ccc(Cl)cc3)c2N)n1 ZINC000040723145 213375807 /nfs/dbraw/zinc/37/58/07/213375807.db2.gz XXORMLLNYCVHEZ-UHFFFAOYSA-N 0 0 331.832 3.666 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Oc3ccc4ccccc4c3)c2N)n1 ZINC000040687931 213369933 /nfs/dbraw/zinc/36/99/33/213369933.db2.gz AZSNHYIOJQNGGE-UHFFFAOYSA-N 0 0 331.379 3.807 10 0 EHAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2cccnc2)c1N ZINC000040703247 213372033 /nfs/dbraw/zinc/37/20/33/213372033.db2.gz CJJGYFUIQRPHNA-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3ccc(Cl)cc3C)c2N)n1 ZINC000040703515 213371765 /nfs/dbraw/zinc/37/17/65/213371765.db2.gz UMWGBQIZTHOPMU-UHFFFAOYSA-N 0 0 328.807 3.567 10 0 EHAERN CCNC(=O)Cn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000040308000 213291447 /nfs/dbraw/zinc/29/14/47/213291447.db2.gz YXADRULZEBYTFX-UHFFFAOYSA-N 0 0 343.430 3.916 10 0 EHAERN Cc1sc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1N ZINC000040311999 213290542 /nfs/dbraw/zinc/29/05/42/213290542.db2.gz GWWIAWPMWXKPNV-MRVPVSSYSA-N 0 0 339.258 3.892 10 0 EHAERN C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(C=COC1)O2 ZINC000004097942 291003539 /nfs/dbraw/zinc/00/35/39/291003539.db2.gz OQLCWZJEAYGVQE-TXWGWWACSA-N 0 0 332.440 3.596 10 0 biogenic,in-vitro EHAERN CC(C)Cn1c(CNC(=O)c2ccccc2F)nc2ccccc21 ZINC000040277839 213286697 /nfs/dbraw/zinc/28/66/97/213286697.db2.gz BCIWEVBXBBOQDE-UHFFFAOYSA-N 0 0 325.387 3.761 10 0 EHAERN C/C=C/C(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000040203485 213281662 /nfs/dbraw/zinc/28/16/62/213281662.db2.gz XQSUWFUNUYDFHH-ZZXKWVIFSA-N 0 0 333.435 3.628 10 0 EHAERN Cc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1ccccc1Cl ZINC000039963576 213246499 /nfs/dbraw/zinc/24/64/99/213246499.db2.gz RMBLWEIONRCPKO-UHFFFAOYSA-N 0 0 344.773 3.741 10 0 EHAERN CCOC(=O)c1c(N)n(-c2cccc(Cl)c2)nc1C1CCCC1 ZINC000039954906 213244859 /nfs/dbraw/zinc/24/48/59/213244859.db2.gz CGEIFPGKOASQQX-UHFFFAOYSA-N 0 0 333.819 3.942 10 0 EHAERN CC(=O)N1CCc2[nH]nc(-c3ccc(OCc4ccccc4)cc3)c2C1 ZINC000038695361 213220927 /nfs/dbraw/zinc/22/09/27/213220927.db2.gz SYOMUOQLFRBRHZ-UHFFFAOYSA-N 0 0 347.418 3.560 10 0 EHAERN O=C(Cn1cc(Br)cn1)c1ccc(Cl)cc1Cl ZINC000038054601 213198348 /nfs/dbraw/zinc/19/83/48/213198348.db2.gz RPXWXANNVBSBFT-UHFFFAOYSA-N 0 0 334.000 3.835 10 0 EHAERN CCOC(=O)[C@H](N[C@@H](C)CC)c1ccc(F)c(Br)c1 ZINC000038067599 213199321 /nfs/dbraw/zinc/19/93/21/213199321.db2.gz YJWPLCMECCBGGQ-TVQRCGJNSA-N 0 0 332.213 3.581 10 0 EHAERN Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000038033757 213194389 /nfs/dbraw/zinc/19/43/89/213194389.db2.gz AXOAQJIRIUKCGM-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN CC[C@@H](C)C[C@@](CC)(Nc1ccccc1Br)C(N)=O ZINC000037943986 213175464 /nfs/dbraw/zinc/17/54/64/213175464.db2.gz UVFZLIQTVFGJEI-IAQYHMDHSA-N 0 0 327.266 3.931 10 0 EHAERN COc1cc(F)c(C(=O)c2ccc(Br)cc2)c(F)c1 ZINC000037903046 213172927 /nfs/dbraw/zinc/17/29/27/213172927.db2.gz VSFZGCZTSCZDCC-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN O=C(c1cc2c(cc1Br)OCCCO2)C1CCCC1 ZINC000037364632 213141615 /nfs/dbraw/zinc/14/16/15/213141615.db2.gz PPNBPUIMWQRHQA-UHFFFAOYSA-N 0 0 325.202 3.983 10 0 EHAERN COc1ccc(Cc2sc(NC(=O)c3ccco3)nc2C)cc1 ZINC000036639515 213106700 /nfs/dbraw/zinc/10/67/00/213106700.db2.gz SPCRVGZBZUHABG-UHFFFAOYSA-N 0 0 328.393 3.896 10 0 EHAERN CCn1nc(C(=O)Nc2cccc(OC)c2)cc1-c1ccsc1 ZINC000034901161 212995234 /nfs/dbraw/zinc/99/52/34/212995234.db2.gz CAJPWBPHKIGSMB-UHFFFAOYSA-N 0 0 327.409 3.892 10 0 EHAERN C[C@H](OC[C@H]1CCCCO1)C(=O)c1ccc(Br)cc1 ZINC000037345065 213140878 /nfs/dbraw/zinc/14/08/78/213140878.db2.gz FNIQDKKYDGZDPT-SMDDNHRTSA-N 0 0 327.218 3.606 10 0 EHAERN O=c1[nH]c(NC2CCCCC2)nc2nccc(-c3ccsc3)c12 ZINC000072441188 216235385 /nfs/dbraw/zinc/23/53/85/216235385.db2.gz CUIADWPZEDDKGS-UHFFFAOYSA-N 0 0 326.425 3.791 10 0 EHAERN COc1ccc(Nc2nccc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000072443574 216236050 /nfs/dbraw/zinc/23/60/50/216236050.db2.gz JQWIUVIAVDJJFM-UHFFFAOYSA-N 0 0 337.379 3.913 10 0 EHAERN CCCN1CN(c2ccc(C)cc2C)c2nc(C)c(CC)c(=O)n2C1 ZINC000072443095 216236673 /nfs/dbraw/zinc/23/66/73/216236673.db2.gz RTAHZDHVFMAFQR-UHFFFAOYSA-N 0 0 340.471 3.510 10 0 EHAERN CC1(C)CC(=O)c2cnc3nc(SCc4ccccc4)nn3c2C1 ZINC000072466854 216247798 /nfs/dbraw/zinc/24/77/98/216247798.db2.gz NTCVEOUAOBKKFA-UHFFFAOYSA-N 0 0 338.436 3.572 10 0 EHAERN CC(C)c1ccc(Cn2c(=O)[nH]c3ccc(Cl)cc3c2=O)cc1 ZINC000073658149 216407687 /nfs/dbraw/zinc/40/76/87/216407687.db2.gz IVFXGNQCGVNYSF-UHFFFAOYSA-N 0 0 328.799 3.515 10 0 EHAERN O=C(/C=C\c1ccc(F)cc1)NCc1ccc(Br)cc1 ZINC000214011258 241096195 /nfs/dbraw/zinc/09/61/95/241096195.db2.gz JLMRUAZQSJEDSI-YHYXMXQVSA-N 0 0 334.188 3.918 10 0 EHAERN O=C(N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1cnc(Cl)c(Cl)c1 ZINC000216572362 241202397 /nfs/dbraw/zinc/20/23/97/241202397.db2.gz GNVFBPHFBIZNII-ZHFVHPGNSA-N 0 0 325.239 3.943 10 0 EHAERN CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)cc1C(C)=O ZINC000020272324 212116017 /nfs/dbraw/zinc/11/60/17/212116017.db2.gz BIZXHUOOXTUFKJ-UHFFFAOYSA-N 0 0 327.167 3.558 10 0 EHAERN COc1cc(CN2CCc3[nH]nc(-c4ccccc4)c3C2)cc(OC)c1 ZINC000020166375 212108869 /nfs/dbraw/zinc/10/88/69/212108869.db2.gz PDBSXDIKZMKXIK-UHFFFAOYSA-N 0 0 349.434 3.652 10 0 EHAERN CCOc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1 ZINC000020040311 212096044 /nfs/dbraw/zinc/09/60/44/212096044.db2.gz YLOCQUYKEJVKGE-UHFFFAOYSA-N 0 0 349.228 3.898 10 0 EHAERN FC1(F)Oc2ccc(NCc3ccc(Br)o3)cc2O1 ZINC000019913309 212083579 /nfs/dbraw/zinc/08/35/79/212083579.db2.gz MLWORQIUISYXTG-UHFFFAOYSA-N 0 0 332.100 3.976 10 0 EHAERN CCCC1N=NC(=S)N1[C@H](C)c1cccc(Br)c1 ZINC000049569215 214020629 /nfs/dbraw/zinc/02/06/29/214020629.db2.gz PKMJGQKDPBJSDZ-SECBINFHSA-N 0 0 326.263 3.891 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C)c1ccccc1Br ZINC000078519852 217067754 /nfs/dbraw/zinc/06/77/54/217067754.db2.gz CJWCIVOJDVZNAD-UHIISALHSA-N 0 0 325.250 3.998 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000078946026 217154630 /nfs/dbraw/zinc/15/46/30/217154630.db2.gz MUYKDXAMZUTFPA-WMLDXEAASA-N 0 0 344.480 3.688 10 0 EHAERN CCOc1ccccc1NCC(=O)Nc1cccc(Br)c1 ZINC000015124295 211804324 /nfs/dbraw/zinc/80/43/24/211804324.db2.gz QFLLRQLHXYWPBT-UHFFFAOYSA-N 0 0 349.228 3.898 10 0 EHAERN CCCNc1nc2cc(NC(=O)c3ccccc3)ccc2nc1OC ZINC000090448769 217930361 /nfs/dbraw/zinc/93/03/61/217930361.db2.gz MAOBXZSALDXNRA-UHFFFAOYSA-N 0 0 336.395 3.713 10 0 EHAERN C[C@@H](Cc1cc(C(=O)N(C)CCc2ccccn2)on1)c1ccccc1 ZINC000012218538 211322833 /nfs/dbraw/zinc/32/28/33/211322833.db2.gz FGQJRJTXUZYMAS-INIZCTEOSA-N 0 0 349.434 3.731 10 0 EHAERN CC[C@H](C(=O)OC)n1c(C)nc2sc(-c3ccccc3)cc2c1=O ZINC000012127180 211300096 /nfs/dbraw/zinc/30/00/96/211300096.db2.gz VZQCUHFWFBMBSL-CQSZACIVSA-N 0 0 342.420 3.558 10 0 EHAERN COC(=O)c1sc2ncnc(Nc3ccccc3OC)c2c1C ZINC000012084650 211287970 /nfs/dbraw/zinc/28/79/70/211287970.db2.gz WAKCBFXWYQTEJR-UHFFFAOYSA-N 0 0 329.381 3.539 10 0 EHAERN CC(=O)Oc1cs/c(=N\c2cc(Cl)ccc2Cl)n1C(C)=O ZINC000011638073 211228501 /nfs/dbraw/zinc/22/85/01/211228501.db2.gz YYWHNWHIRLYMOL-SSZFMOIBSA-N 0 0 345.207 3.674 10 0 EHAERN CCc1s/c(=N\c2ccccc2Cl)n(C(C)=O)c1OC(C)=O ZINC000011638169 211227748 /nfs/dbraw/zinc/22/77/48/211227748.db2.gz ZTKSRCIVNHQLJB-ICFOKQHNSA-N 0 0 338.816 3.583 10 0 EHAERN Cc1cc(-c2ccc(S(=O)(=O)N(C)c3ccc(C)cc3)s2)n[nH]1 ZINC000009686585 211114112 /nfs/dbraw/zinc/11/41/12/211114112.db2.gz HQPLEVSBDKBSMW-UHFFFAOYSA-N 0 0 347.465 3.580 10 0 EHAERN CN(c1nc2ccccc2o1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074171 218271368 /nfs/dbraw/zinc/27/13/68/218271368.db2.gz XCJABIIFRLSVAH-ZDUSSCGKSA-N 0 0 331.416 3.664 10 0 EHAERN OCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000008786162 211007320 /nfs/dbraw/zinc/00/73/20/211007320.db2.gz DETMDXRDFCCEEU-UHFFFAOYSA-N 0 0 330.815 3.694 10 0 EHAERN CC(C)Sc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1 ZINC000008718285 210989775 /nfs/dbraw/zinc/98/97/75/210989775.db2.gz LMSHZPCIOIUACF-UHFFFAOYSA-N 0 0 336.420 3.534 10 0 EHAERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000007651514 210826184 /nfs/dbraw/zinc/82/61/84/210826184.db2.gz JIQWBRAFPKAXTM-NSHDSACASA-N 0 0 334.213 3.949 10 0 EHAERN C[C@@H]1CCCCN1C(=O)/C=C1\Sc2ccc(Cl)cc2NC1=O ZINC000096422949 218789779 /nfs/dbraw/zinc/78/97/79/218789779.db2.gz GYQRBQGKUDQQHU-AHEVQNHNSA-N 0 0 336.844 3.669 10 0 EHAERN Cc1cccc(C)c1NC(=O)C(C)(C)N(C)C(=O)c1ccccc1F ZINC000004550387 257911283 /nfs/dbraw/zinc/91/12/83/257911283.db2.gz ZZDKNHVDFKEAGL-UHFFFAOYSA-N 0 0 342.414 3.932 10 0 EHAERN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1nccn1C ZINC000000123577 563235852 /nfs/dbraw/zinc/23/58/52/563235852.db2.gz UINOSYHKJJAECC-UHFFFAOYSA-N 0 0 346.843 3.727 10 0 EHAERN O=C(Cc1cccc(F)c1)NC[C@]1(c2ccccc2)CCCOCC1 ZINC000065226126 563764244 /nfs/dbraw/zinc/76/42/44/563764244.db2.gz YFEXGGMAZVIKPJ-NRFANRHFSA-N 0 0 341.426 3.623 10 0 EHAERN CCN(C(=O)c1nc(C2CCC2)oc1C)c1cc(OC)ccc1OC ZINC000065293608 563854709 /nfs/dbraw/zinc/85/47/09/563854709.db2.gz AHCGTKZCIVHTOE-UHFFFAOYSA-N 0 0 344.411 3.934 10 0 EHAERN CCn1c([C@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)nc2cccnc21 ZINC000097944805 563956542 /nfs/dbraw/zinc/95/65/42/563956542.db2.gz LWGCXIHQBHNOHB-HNNXBMFYSA-N 0 0 349.438 3.781 10 0 EHAERN Cc1nn(C)cc1NC(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 ZINC000583619747 564018106 /nfs/dbraw/zinc/01/81/06/564018106.db2.gz CCALROIAMSSIIN-JXFKEZNVSA-N 0 0 339.439 3.531 10 0 EHAERN COc1ccc(-c2nc3c(C)[nH]n(-c4ccccc4)c-3n2)cc1OC ZINC000048488657 564031912 /nfs/dbraw/zinc/03/19/12/564031912.db2.gz RQAFGFFKUZYYJN-UHFFFAOYSA-N 0 0 334.379 3.741 10 0 EHAERN Cc1nn(-c2ccc(F)cc2F)c(OCc2ccccc2)c1C=O ZINC000536555959 564091416 /nfs/dbraw/zinc/09/14/16/564091416.db2.gz WAFAHPMHWIYVAK-UHFFFAOYSA-N 0 0 328.318 3.850 10 0 EHAERN CCCN1Cc2cccc(C(=O)NCc3cccc(Cl)c3)c2C1=O ZINC000006737211 564096682 /nfs/dbraw/zinc/09/66/82/564096682.db2.gz QIGWHYRRGJFDNK-UHFFFAOYSA-N 0 0 342.826 3.636 10 0 EHAERN O=S(=O)(N[C@H]1CCCC[C@H]1Nc1ccc(F)cc1)c1ccccc1 ZINC000006809502 564098445 /nfs/dbraw/zinc/09/84/45/564098445.db2.gz LJLCJSJAIDMDPZ-MSOLQXFVSA-N 0 0 348.443 3.527 10 0 EHAERN O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@@H]1c1nncn1CC1CC1 ZINC000169793268 564101294 /nfs/dbraw/zinc/10/12/94/564101294.db2.gz HXPXTXPBGVWPTG-GOSISDBHSA-N 0 0 349.438 3.537 10 0 EHAERN O=C1N(Cc2ccccc2F)c2ccccc2[C@@]1(O)c1ccccc1 ZINC000065155576 564102107 /nfs/dbraw/zinc/10/21/07/564102107.db2.gz UXBAFXNRZOFNDV-NRFANRHFSA-N 0 0 333.362 3.608 10 0 EHAERN CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000253369926 564130288 /nfs/dbraw/zinc/13/02/88/564130288.db2.gz JYDFMVYUHJGUNZ-HZMVEIRTSA-N 0 0 341.842 3.724 10 0 EHAERN CC(C)C[N@H+](CC(=O)[O-])Cc1cccc(Cl)c1Br ZINC000719415927 978002354 /nfs/dbraw/zinc/00/23/54/978002354.db2.gz ZQHJHAZPKCDZPD-UHFFFAOYSA-N 0 0 334.641 3.645 10 0 EHAERN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Br)C[C@H]1CC(=O)[O-] ZINC000722610995 978150265 /nfs/dbraw/zinc/15/02/65/978150265.db2.gz YUHZSJMZOKBWIN-NXEZZACHSA-N 0 0 346.652 3.645 10 0 EHAERN CCOC[C@@H](C)Nc1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000182717664 1032123853 /nfs/dbraw/zinc/12/38/53/1032123853.db2.gz FQJUTGGXCZUPGY-OAHLLOKOSA-N 0 0 328.460 3.817 10 0 EHAERN Cc1nnnn1-c1cccc(N[C@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000182872202 1032147352 /nfs/dbraw/zinc/14/73/52/1032147352.db2.gz WBLIIHZHKKWQBO-SECBINFHSA-N 0 0 333.317 3.561 10 0 EHAERN CCn1cnnc1C1CCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000407963939 1016519022 /nfs/dbraw/zinc/51/90/22/1016519022.db2.gz FMNFCMSCLZNXJC-HZPDHXFCSA-N 0 0 346.519 3.857 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)o1 ZINC000407982400 1016702524 /nfs/dbraw/zinc/70/25/24/1016702524.db2.gz GHTPVEOYHRFSSU-CWLKWCNXSA-N 0 0 344.455 3.646 10 0 EHAERN O=C(Nc1cc(F)ccc1Cl)N1CCCN(c2ccccn2)CC1 ZINC000184100809 1032252370 /nfs/dbraw/zinc/25/23/70/1032252370.db2.gz ASBMLJNZTKHBBK-UHFFFAOYSA-N 0 0 348.809 3.618 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(F)c(Cl)c3F)CCO2)o1 ZINC000184569773 1032297579 /nfs/dbraw/zinc/29/75/79/1032297579.db2.gz UDJXOHFGSAQLGU-CYBMUJFWSA-N 0 0 341.741 3.733 10 0 EHAERN CSCc1ccccc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000184805005 1032321679 /nfs/dbraw/zinc/32/16/79/1032321679.db2.gz NYJBESRIXAAXDE-MRXNPFEDSA-N 0 0 343.452 3.630 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)nc21 ZINC000184780919 1032333375 /nfs/dbraw/zinc/33/33/75/1032333375.db2.gz ZNEHQNBDTDFQQV-KDOFPFPSSA-N 0 0 348.450 3.809 10 0 EHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000185388677 1032387200 /nfs/dbraw/zinc/38/72/00/1032387200.db2.gz CERCSOYIOLTUIH-KEYYUXOJSA-N 0 0 343.810 3.898 10 0 EHAERN CC(C)c1[nH]ccc1C(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000286612332 1017292980 /nfs/dbraw/zinc/29/29/80/1017292980.db2.gz XZOUGLHRIUVKPC-KRWDZBQOSA-N 0 0 340.471 3.728 10 0 EHAERN Cc1ccc2ncnc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)c2c1 ZINC000275567171 1017096911 /nfs/dbraw/zinc/09/69/11/1017096911.db2.gz IPOBMNQSODLFEQ-SFHVURJKSA-N 0 0 333.439 3.882 10 0 EHAERN CCc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1CC ZINC000182759022 1017172404 /nfs/dbraw/zinc/17/24/04/1017172404.db2.gz PRLFTABNZAKNNO-PXNSSMCTSA-N 0 0 330.472 3.970 10 0 EHAERN FC(F)(F)c1nsc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 ZINC000408031546 1017211595 /nfs/dbraw/zinc/21/15/95/1017211595.db2.gz NTCKSPAAUCGWMV-SNVBAGLBSA-N 0 0 343.378 3.500 10 0 EHAERN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000163735361 1017786220 /nfs/dbraw/zinc/78/62/20/1017786220.db2.gz ATHBGFHSHVWUGU-LBPRGKRZSA-N 0 0 340.214 3.871 10 0 EHAERN Cc1oc2nc(CN3CCC(c4ccccc4)CC3)nc(N)c2c1C ZINC000330118193 1017885908 /nfs/dbraw/zinc/88/59/08/1017885908.db2.gz YDRHVCKZDJGMSK-UHFFFAOYSA-N 0 0 336.439 3.801 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc2O1 ZINC000249119393 1032741284 /nfs/dbraw/zinc/74/12/84/1032741284.db2.gz TUHXMUIXFZNBQV-GCUGWZBJSA-N 0 0 346.427 3.519 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(C(N)=O)cc3F)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333205831 1018823374 /nfs/dbraw/zinc/82/33/74/1018823374.db2.gz IWMBQPPGNKCAGR-AWVJWHHFSA-N 0 0 331.391 3.609 10 0 EHAERN Cc1ncc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C2CC2)n1 ZINC000333374536 1019429206 /nfs/dbraw/zinc/42/92/06/1019429206.db2.gz ZSBGXMOPGAVQRO-NWDGAFQWSA-N 0 0 342.365 3.905 10 0 EHAERN O=C(/C=C\c1cncc(F)c1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000588385829 1019841544 /nfs/dbraw/zinc/84/15/44/1019841544.db2.gz ZAXIZPXZBJSILC-MWWKQMNYSA-N 0 0 346.789 3.917 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc4c(n3)CCCC4=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333703389 1021507588 /nfs/dbraw/zinc/50/75/88/1021507588.db2.gz RUBNZCCGZLARFH-DINUWMAGSA-N 0 0 339.439 3.501 10 0 EHAERN COc1cc(OC(=O)C/C=C\c2ccc(F)cc2)cc(OC)c1OC ZINC000588427813 1021763721 /nfs/dbraw/zinc/76/37/21/1021763721.db2.gz DVRHOLDQSFRCCN-PLNGDYQASA-N 0 0 346.354 3.860 10 0 EHAERN O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127967865 1022402987 /nfs/dbraw/zinc/40/29/87/1022402987.db2.gz DDWOYZDNEKARAN-MGPLVRAMSA-N 0 0 346.229 3.900 10 0 EHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc3nc(C)[nH]c32)C12CCCC2 ZINC000328723040 1022464613 /nfs/dbraw/zinc/46/46/13/1022464613.db2.gz XUYUBHIGPVHQOY-IRXDYDNUSA-N 0 0 341.455 3.681 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)CCc2ccccc2F)[nH]1 ZINC000328750481 1022480825 /nfs/dbraw/zinc/48/08/25/1022480825.db2.gz RFRIDUKGCCHOCJ-SUMWQHHRSA-N 0 0 344.434 3.575 10 0 EHAERN O=C(N1CCc2ccccc21)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000328920311 1022545705 /nfs/dbraw/zinc/54/57/05/1022545705.db2.gz LSRNXXUHRJVZKF-GOSISDBHSA-N 0 0 332.407 3.883 10 0 EHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N[C@H]1COc2ccccc21 ZINC000127995383 1022967170 /nfs/dbraw/zinc/96/71/70/1022967170.db2.gz DNOQJIWLSWESLY-JSGCOSHPSA-N 0 0 328.334 3.540 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000588452982 1023034885 /nfs/dbraw/zinc/03/48/85/1023034885.db2.gz RMNQTDXDMPJVJI-HJWRWDBZSA-N 0 0 338.338 3.941 10 0 EHAERN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(N2CCNC2=O)c1C ZINC000138163751 1033137508 /nfs/dbraw/zinc/13/75/08/1033137508.db2.gz OTQAKPCAVHXITE-QAPCUYQASA-N 0 0 343.471 3.565 10 0 EHAERN C/C(=C/C(=O)Nc1cccc2c1OCC[C@@H]2O)c1cccc(F)c1 ZINC000588479339 1023882197 /nfs/dbraw/zinc/88/21/97/1023882197.db2.gz FLJKQLANNBEYSL-LUJNMSEFSA-N 0 0 327.355 3.684 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](c2ccccc2C)C(C)C)C[C@H]1C ZINC000190665849 1023958019 /nfs/dbraw/zinc/95/80/19/1023958019.db2.gz NHQYWVCKLKDXLM-NXHRZFHOSA-N 0 0 346.471 3.533 10 0 EHAERN COc1ccc(C)cc1NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000191308489 1024070744 /nfs/dbraw/zinc/07/07/44/1024070744.db2.gz OCWGFJSIROGMKU-HNNXBMFYSA-N 0 0 326.396 3.908 10 0 EHAERN CCC1CCC(c2noc([C@@H]3CC(=O)N(CC(F)(F)F)C3)n2)CC1 ZINC000329733910 1024166330 /nfs/dbraw/zinc/16/63/30/1024166330.db2.gz RBAOJMGFCMMNBB-HTAVTVPLSA-N 0 0 345.365 3.632 10 0 EHAERN C[C@@H]1CCCC[C@@H]1c1noc([C@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329742018 1024171427 /nfs/dbraw/zinc/17/14/27/1024171427.db2.gz WGICTOOXYPXUAH-PMPSAXMXSA-N 0 0 346.475 3.759 10 0 EHAERN C[C@H]1CC(c2noc(C3CCC4(CC3)NC(=O)NC4=O)n2)C[C@H](C)C1 ZINC000329744691 1024173676 /nfs/dbraw/zinc/17/36/76/1024173676.db2.gz XYADRZOPYBQTSA-MRBODRMGSA-N 0 0 346.431 3.890 10 0 EHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000329936793 1024256180 /nfs/dbraw/zinc/25/61/80/1024256180.db2.gz RTRHNMJPJVEMSB-CJNGLKHVSA-N 0 0 340.452 3.952 10 0 EHAERN CSc1ccc([C@@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000280995913 1024506615 /nfs/dbraw/zinc/50/66/15/1024506615.db2.gz AUEBIBLJXQKOBN-SIXWZSSISA-N 0 0 348.512 3.806 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)CCO2)o1 ZINC000151822981 1024750678 /nfs/dbraw/zinc/75/06/78/1024750678.db2.gz DEJLPZLBNTUFOJ-ZVQXUQNISA-N 0 0 329.440 3.704 10 0 EHAERN Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cnn(C)c3)cc2c(C)c1 ZINC000330321476 1024778437 /nfs/dbraw/zinc/77/84/37/1024778437.db2.gz FZJYAZOPZRMXHO-LJQANCHMSA-N 0 0 336.439 3.886 10 0 EHAERN Cc1ccoc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217562 1024931427 /nfs/dbraw/zinc/93/14/27/1024931427.db2.gz QFRILWBGPCJJSH-INIZCTEOSA-N 0 0 335.407 3.998 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000588498292 1025220320 /nfs/dbraw/zinc/22/03/20/1025220320.db2.gz VMUJKZLXKZERQZ-PEZBUJJGSA-N 0 0 342.483 3.647 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3ccc(C)c(F)c3)CCO2)o1 ZINC000121572742 1025510937 /nfs/dbraw/zinc/51/09/37/1025510937.db2.gz CBKZCQUAMSDFTF-RDTXWAMCSA-N 0 0 346.402 3.880 10 0 EHAERN O=C(C[C@@H]1C[C@H]1c1ccccc1)N1CCCCC[C@H]1c1ncon1 ZINC000329113114 1025609817 /nfs/dbraw/zinc/60/98/17/1025609817.db2.gz RSDBURIDSSBODH-ULQDDVLXSA-N 0 0 325.412 3.707 10 0 EHAERN O=C(NC1CC1)c1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)ccc1Cl ZINC000121887546 1025932715 /nfs/dbraw/zinc/93/27/15/1025932715.db2.gz MDRRBMAVZHKUQS-OLZOCXBDSA-N 0 0 344.798 3.567 10 0 EHAERN C[C@@H]1CCC[C@H](CC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329623654 1026096370 /nfs/dbraw/zinc/09/63/70/1026096370.db2.gz HONAQPLNQUNKHA-YCPHGPKFSA-N 0 0 331.460 3.869 10 0 EHAERN C[C@@H](NC(=O)c1cccc2c1O[C@H](C)C(=O)N2)c1cccc(Cl)c1 ZINC000103939529 1026143379 /nfs/dbraw/zinc/14/33/79/1026143379.db2.gz FQOCNJHKVUFGFK-GHMZBOCLSA-N 0 0 344.798 3.550 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000047923782 1026214792 /nfs/dbraw/zinc/21/47/92/1026214792.db2.gz JEORBDYABJNVTG-JKSUJKDBSA-N 0 0 346.814 3.779 10 0 EHAERN COc1ccccc1C/C(C)=C\C(=O)NCc1cc(F)ccc1OC ZINC000588524564 1026417683 /nfs/dbraw/zinc/41/76/83/1026417683.db2.gz DQHMLJAZMFJCNW-KAMYIIQDSA-N 0 0 343.398 3.648 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)on3)C2)cc1 ZINC000122469648 1026472763 /nfs/dbraw/zinc/47/27/63/1026472763.db2.gz JGLCCYAKCCWSMP-UKRRQHHQSA-N 0 0 328.412 3.825 10 0 EHAERN O=C1[C@H]2CCCCN2C(=O)N1Cc1csc(C2CCCCC2)n1 ZINC000102828516 1026984761 /nfs/dbraw/zinc/98/47/61/1026984761.db2.gz UIGLBJZCLMPXOS-CQSZACIVSA-N 0 0 333.457 3.508 10 0 EHAERN CN(c1nnc(Cc2ccc(F)cc2)s1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000302107146 1027055725 /nfs/dbraw/zinc/05/57/25/1027055725.db2.gz OCEFYQUNCHFZRI-NUEKZKHPSA-N 0 0 347.459 3.518 10 0 EHAERN CC(=O)N1CC[C@H](Nc2ccnc(C(C)C)n2)c2ccc(F)cc2C1 ZINC000302173380 1027077722 /nfs/dbraw/zinc/07/77/22/1027077722.db2.gz BGYMQMSLGQYMSN-KRWDZBQOSA-N 0 0 342.418 3.645 10 0 EHAERN CCCn1nc(C)c(C(=O)N2CCC(c3nc(C)cs3)CC2)c1C ZINC000126070324 1027157185 /nfs/dbraw/zinc/15/71/85/1027157185.db2.gz BKLPTZKKCIFMKU-UHFFFAOYSA-N 0 0 346.500 3.695 10 0 EHAERN CN(C)c1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000128323208 1027422513 /nfs/dbraw/zinc/42/25/13/1027422513.db2.gz SZRWLDMIMHNIJJ-UHFFFAOYSA-N 0 0 344.484 3.605 10 0 EHAERN CCOc1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000129054206 1027514619 /nfs/dbraw/zinc/51/46/19/1027514619.db2.gz WIWYGASSIXAUOI-UHFFFAOYSA-N 0 0 345.468 3.937 10 0 EHAERN Nc1c(Cl)cc(C(=O)Nc2cccc(-c3ncon3)c2)cc1Cl ZINC000130490423 1027675478 /nfs/dbraw/zinc/67/54/78/1027675478.db2.gz ABXANPUTZVXHDQ-UHFFFAOYSA-N 0 0 349.177 3.878 10 0 EHAERN O=C(Cc1cnc2ccccc2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000131516630 1027789283 /nfs/dbraw/zinc/78/92/83/1027789283.db2.gz SBYJCTPKTXPYOE-MRXNPFEDSA-N 0 0 337.448 3.640 10 0 EHAERN COc1ccc(/C=C(/C)C(=O)N[C@@H](C)c2ccncc2OC)cc1F ZINC000588550477 1027817603 /nfs/dbraw/zinc/81/76/03/1027817603.db2.gz WTKFNDLDSKXXCH-SUIFULHWSA-N 0 0 344.386 3.519 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)CC2)n1 ZINC000132517036 1027932841 /nfs/dbraw/zinc/93/28/41/1027932841.db2.gz ASDYOHUYIJUFQM-VQTJNVASSA-N 0 0 349.478 3.587 10 0 EHAERN CC[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2F)c2ccccc2O1 ZINC000132589337 1027938428 /nfs/dbraw/zinc/93/84/28/1027938428.db2.gz RUNRXIJJSLMVHE-LBPRGKRZSA-N 0 0 345.370 3.661 10 0 EHAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000078574347 1027977029 /nfs/dbraw/zinc/97/70/29/1027977029.db2.gz ARCHFAKTTSQLCQ-OKILXGFUSA-N 0 0 328.391 3.665 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1c(F)cccc1NC1CC1 ZINC000132989495 1027987324 /nfs/dbraw/zinc/98/73/24/1027987324.db2.gz HXLTXPYXXVZIIM-BBATYDOGSA-N 0 0 326.371 3.903 10 0 EHAERN CCOc1cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)ccc1C ZINC000133489670 1028038757 /nfs/dbraw/zinc/03/87/57/1028038757.db2.gz TXTHNPCXZQRDAC-SFHVURJKSA-N 0 0 329.396 3.509 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4c(s3)CCCC4)CCO2)o1 ZINC000133972649 1028084691 /nfs/dbraw/zinc/08/46/91/1028084691.db2.gz GZMPDAFFKPAENS-HNNXBMFYSA-N 0 0 331.437 3.742 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3ccc(F)cc3Cl)CCO2)o1 ZINC000134179946 1028098033 /nfs/dbraw/zinc/09/80/33/1028098033.db2.gz BSWMLDBSFZILTP-MRXNPFEDSA-N 0 0 337.778 3.523 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)c1ccncc1 ZINC000153534152 1028108016 /nfs/dbraw/zinc/10/80/16/1028108016.db2.gz XIYWZUSQVFFPLH-KGLIPLIRSA-N 0 0 336.395 3.858 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134371467 1028117013 /nfs/dbraw/zinc/11/70/13/1028117013.db2.gz WCUCRYINQCNCMV-KSZLIROESA-N 0 0 349.519 3.689 10 0 EHAERN COc1ccc([C@@H]2CCN(C(=O)c3c(O)cnc4ccccc43)C2)cc1 ZINC000136543095 1028258989 /nfs/dbraw/zinc/25/89/89/1028258989.db2.gz MNYPLORSENENKI-OAHLLOKOSA-N 0 0 348.402 3.579 10 0 EHAERN COC(=O)c1csc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000136670087 1028264294 /nfs/dbraw/zinc/26/42/94/1028264294.db2.gz WOTFDUFZWNAOMJ-UHFFFAOYSA-N 0 0 348.449 3.917 10 0 EHAERN O=C(c1cnc2ccccc2c1O)N1CC=C(c2ccccc2F)CC1 ZINC000137346342 1028309665 /nfs/dbraw/zinc/30/96/65/1028309665.db2.gz BNTIIPYCGGVZSE-UHFFFAOYSA-N 0 0 348.377 3.597 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000068291381 1028393904 /nfs/dbraw/zinc/39/39/04/1028393904.db2.gz LATNRMIBDLPEKB-IFXJQAMLSA-N 0 0 341.382 3.769 10 0 EHAERN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)N[C@H](C)c3ccncc3)nc2c1 ZINC000140050803 1028399562 /nfs/dbraw/zinc/39/95/62/1028399562.db2.gz WJKWYEOUFKREIY-RDTXWAMCSA-N 0 0 349.438 3.874 10 0 EHAERN Cc1nnc([C@@H](NC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2)[nH]1 ZINC000069301233 1028427315 /nfs/dbraw/zinc/42/73/15/1028427315.db2.gz GCKVCSUPLKXZHQ-KRWDZBQOSA-N 0 0 346.394 3.506 10 0 EHAERN CCCc1noc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000246403988 1028476491 /nfs/dbraw/zinc/47/64/91/1028476491.db2.gz AROLKPOVCOXXEZ-HUUCEWRRSA-N 0 0 349.500 3.952 10 0 EHAERN COc1cccc2c1CCN(C(=O)N[C@@H](C)c1cccs1)CC2 ZINC000194106912 1028489828 /nfs/dbraw/zinc/48/98/28/1028489828.db2.gz TWCQMAILACHIOX-ZDUSSCGKSA-N 0 0 330.453 3.628 10 0 EHAERN C[C@@H]1CN(c2ccc(N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CCO1 ZINC000194163418 1028496960 /nfs/dbraw/zinc/49/69/60/1028496960.db2.gz WGMODGXVPVSQRJ-HUYLIWGRSA-N 0 0 342.483 3.671 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc2ncccc2c1 ZINC000194333429 1028509985 /nfs/dbraw/zinc/50/99/85/1028509985.db2.gz BUXSTAHYZRAVHS-IBGZPJMESA-N 0 0 347.418 3.866 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000194690936 1028535645 /nfs/dbraw/zinc/53/56/45/1028535645.db2.gz CYFWTCWXPLYWBB-AWEZNQCLSA-N 0 0 330.819 3.762 10 0 EHAERN O=C(NCc1cccc(F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000073600494 1028564441 /nfs/dbraw/zinc/56/44/41/1028564441.db2.gz ABGIOMGZPQZROP-UHFFFAOYSA-N 0 0 345.393 3.751 10 0 EHAERN Fc1cccc2c1OCC[C@@H]2N[C@H](c1cccs1)c1ncc[nH]1 ZINC000195127347 1028584207 /nfs/dbraw/zinc/58/42/07/1028584207.db2.gz YDVGZTMMUFQCIX-DZGCQCFKSA-N 0 0 329.400 3.813 10 0 EHAERN CC(=O)c1ccccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000074009223 1028591549 /nfs/dbraw/zinc/59/15/49/1028591549.db2.gz ILBFVLZHYWQXBA-UHFFFAOYSA-N 0 0 340.398 3.745 10 0 EHAERN Cc1cccc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c1C ZINC000195355165 1028599871 /nfs/dbraw/zinc/59/98/71/1028599871.db2.gz GEKWABYVJWUNBR-OAHLLOKOSA-N 0 0 329.469 3.578 10 0 EHAERN C[C@@H]1CCC[C@@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000074514730 1028622495 /nfs/dbraw/zinc/62/24/95/1028622495.db2.gz NRBGGDQLSYVVRA-GDBMZVCRSA-N 0 0 348.512 3.637 10 0 EHAERN Cc1csc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)n1 ZINC000195321133 1028629735 /nfs/dbraw/zinc/62/97/35/1028629735.db2.gz KMLPQCCDHYXCAK-UHFFFAOYSA-N 0 0 340.452 3.881 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000246653104 1028673487 /nfs/dbraw/zinc/67/34/87/1028673487.db2.gz JISGOFZSBRIEKV-ZKYQVNSYSA-N 0 0 328.239 3.593 10 0 EHAERN C[C@H]1CN(c2ccc(NC(=O)N3CCC[C@H]3C3CCC3)cc2)CCO1 ZINC000246661746 1028674928 /nfs/dbraw/zinc/67/49/28/1028674928.db2.gz FGCMSQJMGCYXPO-KXBFYZLASA-N 0 0 343.471 3.708 10 0 EHAERN C[C@H]1CCN(Cc2noc(C3CCOCC3)n2)[C@H]1c1cccc(F)c1 ZINC000245408511 1028705154 /nfs/dbraw/zinc/70/51/54/1028705154.db2.gz HQHCNBABMLTTQN-SCLBCKFNSA-N 0 0 345.418 3.686 10 0 EHAERN CC(C)(C)c1noc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000246996558 1028722021 /nfs/dbraw/zinc/72/20/21/1028722021.db2.gz KSUUHCMINGFFLA-CHWSQXEVSA-N 0 0 335.473 3.517 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000247018917 1028726528 /nfs/dbraw/zinc/72/65/28/1028726528.db2.gz UOVSKUJTGUITLV-NILFDRSVSA-N 0 0 335.835 3.513 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N(Cc1ccco1)C1CCCC1 ZINC000247220231 1028761041 /nfs/dbraw/zinc/76/10/41/1028761041.db2.gz ZBJBDTUWLDUPLA-KZNAEPCWSA-N 0 0 344.455 3.691 10 0 EHAERN O=C(c1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1)c1cccc(O)c1 ZINC000333608155 1028764668 /nfs/dbraw/zinc/76/46/68/1028764668.db2.gz ZPPIRHJAUFIAFH-AUUYWEPGSA-N 0 0 335.403 3.638 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c2ccccc2)[nH]1 ZINC000247423657 1028787209 /nfs/dbraw/zinc/78/72/09/1028787209.db2.gz OEMKKCDRSZTYLY-RCCFBDPRSA-N 0 0 338.455 3.535 10 0 EHAERN Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247431715 1028788573 /nfs/dbraw/zinc/78/85/73/1028788573.db2.gz NUBQZQNFPHXKSS-XQQFMLRXSA-N 0 0 340.370 3.676 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C(c1ccccc1)c1ccccc1 ZINC000247483139 1028792984 /nfs/dbraw/zinc/79/29/84/1028792984.db2.gz RCEVHUHPSIYZEN-XUVXKRRUSA-N 0 0 335.447 3.892 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(F)c(Cl)cc1Cl ZINC000247676064 1028810877 /nfs/dbraw/zinc/81/08/77/1028810877.db2.gz ZCUNOWIRXIJUDU-PCTYZZJISA-N 0 0 332.202 3.820 10 0 EHAERN CC[C@H](C)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000245595194 1028903860 /nfs/dbraw/zinc/90/38/60/1028903860.db2.gz HGDORVPTJVQJTB-YWPYICTPSA-N 0 0 340.261 3.784 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)Oc2ccc3c(c2)OC(=O)C[C@H]3C)CCO1 ZINC000248735451 1028944778 /nfs/dbraw/zinc/94/47/78/1028944778.db2.gz NXPZWSFKWGLRJP-MGPQQGTHSA-N 0 0 332.396 3.600 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248800336 1028950485 /nfs/dbraw/zinc/95/04/85/1028950485.db2.gz JPSAVGQCTRKPEC-NVRFMJDISA-N 0 0 337.419 3.588 10 0 EHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 ZINC000249582787 1029011006 /nfs/dbraw/zinc/01/10/06/1029011006.db2.gz RUZLSCRCVHOWIU-IUIKQTSFSA-N 0 0 330.453 3.595 10 0 EHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000249316324 1029012918 /nfs/dbraw/zinc/01/29/18/1029012918.db2.gz PQEMCLAJWXNCHK-HALDLXJZSA-N 0 0 333.859 3.586 10 0 EHAERN COc1ccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1OC ZINC000245729599 1029180834 /nfs/dbraw/zinc/18/08/34/1029180834.db2.gz JKNMIPKHNLMMSO-ACJLOTCBSA-N 0 0 333.453 3.727 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)[C@H]2CCCC[C@@H]12 ZINC000248448985 1029184212 /nfs/dbraw/zinc/18/42/12/1029184212.db2.gz XNPXWSQYPSIAPA-PVUWLOKVSA-N 0 0 327.428 3.614 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccnc(SC)c3)C2)cc1 ZINC000078188266 1029239005 /nfs/dbraw/zinc/23/90/05/1029239005.db2.gz RAABLGCCUSCPDN-CJNGLKHVSA-N 0 0 342.464 3.830 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000078188123 1029240244 /nfs/dbraw/zinc/24/02/44/1029240244.db2.gz UYEHKUDHWXGZLR-HOCLYGCPSA-N 0 0 347.418 3.657 10 0 EHAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1C(=O)N(C)C ZINC000248452965 1029251199 /nfs/dbraw/zinc/25/11/99/1029251199.db2.gz YXJWIQKJWGPMSR-YXJHDRRASA-N 0 0 343.471 3.739 10 0 EHAERN CCC(=O)c1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000154650742 1029260563 /nfs/dbraw/zinc/26/05/63/1029260563.db2.gz SBWCCIYLWDXJRC-SFHVURJKSA-N 0 0 342.395 3.786 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245850561 1029380559 /nfs/dbraw/zinc/38/05/59/1029380559.db2.gz MGYBRDCEDHCCQT-NSHGMRRFSA-N 0 0 339.483 3.952 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000245951180 1029508887 /nfs/dbraw/zinc/50/88/87/1029508887.db2.gz PGFXZLSPDPVSRQ-PQEBFOHHSA-N 0 0 329.465 3.788 10 0 EHAERN CC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114777734 1029746278 /nfs/dbraw/zinc/74/62/78/1029746278.db2.gz COCKNCLYUALKOX-AWEZNQCLSA-N 0 0 329.425 3.757 10 0 EHAERN CCc1onc(C)c1NC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000089419374 1029906929 /nfs/dbraw/zinc/90/69/29/1029906929.db2.gz XLMSQPFSVQHILN-WFASDCNBSA-N 0 0 343.427 3.964 10 0 EHAERN Cc1cc(C)cc(C2=CCN(C(=O)c3ncncc3Cl)CC2)c1 ZINC000091823334 1030314059 /nfs/dbraw/zinc/31/40/59/1030314059.db2.gz GHVPOYGJKUKTJM-UHFFFAOYSA-N 0 0 327.815 3.676 10 0 EHAERN CCCCCOCC(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092069421 1030369878 /nfs/dbraw/zinc/36/98/78/1030369878.db2.gz MOPVTAWNPLROLO-UHFFFAOYSA-N 0 0 337.435 3.540 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)n1 ZINC000092242676 1030412660 /nfs/dbraw/zinc/41/26/60/1030412660.db2.gz FCGLNHUNVHHRAY-UHFFFAOYSA-N 0 0 346.500 3.502 10 0 EHAERN C[C@@H]1C[C@H]1c1ccc(CN2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385845 1030596112 /nfs/dbraw/zinc/59/61/12/1030596112.db2.gz HRSKNTIBDTZNRS-GDBMZVCRSA-N 0 0 344.480 3.813 10 0 EHAERN O=C(c1cccs1)N1CCCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000093385868 1030597105 /nfs/dbraw/zinc/59/71/05/1030597105.db2.gz FNFMDSCYLGHOFH-DAFODLJHSA-N 0 0 344.455 3.749 10 0 EHAERN Cc1ccc(OCCN(C)C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000105046784 1030605428 /nfs/dbraw/zinc/60/54/28/1030605428.db2.gz FZFDPNCMZWJMQB-UHFFFAOYSA-N 0 0 338.329 3.955 10 0 EHAERN O=C(CCCOc1ccccc1F)N1CCC[C@H](c2nccs2)C1 ZINC000170891551 1030715240 /nfs/dbraw/zinc/71/52/40/1030715240.db2.gz PAYFWPBZFKSJBE-AWEZNQCLSA-N 0 0 348.443 3.847 10 0 EHAERN COc1ccc(NC(=O)N2CCC(c3nc(C)cs3)CC2)cc1 ZINC000171247233 1030749831 /nfs/dbraw/zinc/74/98/31/1030749831.db2.gz WKAWIXWPUABWSD-UHFFFAOYSA-N 0 0 331.441 3.872 10 0 EHAERN Cc1ccc(OCC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000171643842 1030769357 /nfs/dbraw/zinc/76/93/57/1030769357.db2.gz BSNBKNSEBKXKTN-OAHLLOKOSA-N 0 0 330.453 3.545 10 0 EHAERN O=C(CCC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000171646396 1030772265 /nfs/dbraw/zinc/77/22/65/1030772265.db2.gz BNFLYIXPZUWNRD-AWEZNQCLSA-N 0 0 346.427 3.651 10 0 EHAERN O=C(c1cc(Cl)ccc1F)N1CCC(Cc2ccccn2)CC1 ZINC000171613294 1030800611 /nfs/dbraw/zinc/80/06/11/1030800611.db2.gz MPMZODWQLGORFG-UHFFFAOYSA-N 0 0 332.806 3.969 10 0 EHAERN Cc1ccccc1CCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000172194039 1030845511 /nfs/dbraw/zinc/84/55/11/1030845511.db2.gz CEFZTUQRRNVPEX-MRXNPFEDSA-N 0 0 329.469 3.583 10 0 EHAERN CCCOc1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c(C)c1 ZINC000172471515 1030962897 /nfs/dbraw/zinc/96/28/97/1030962897.db2.gz UDYZATKDQAPJSU-RBUKOAKNSA-N 0 0 340.423 3.564 10 0 EHAERN Cc1cc(NC(=O)C2CCN(C(=O)C3CCCCCCC3)CC2)no1 ZINC000172832428 1031007237 /nfs/dbraw/zinc/00/72/37/1031007237.db2.gz MMNCGDNQGXPGNS-UHFFFAOYSA-N 0 0 347.459 3.521 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3cccc(C(F)F)c3)CC2)nc1 ZINC000172870754 1031015570 /nfs/dbraw/zinc/01/55/70/1031015570.db2.gz WUFZYZDYQKQIEH-UHFFFAOYSA-N 0 0 345.393 3.726 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2ccc(F)c(F)c2)c2ccccc2)[nH]1 ZINC000173379119 1031086258 /nfs/dbraw/zinc/08/62/58/1031086258.db2.gz IXQOPYHEEADBAM-APPDUMDISA-N 0 0 328.366 3.832 10 0 EHAERN O=C(c1cc2cc(F)ccc2oc1=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000173759761 1031104710 /nfs/dbraw/zinc/10/47/10/1031104710.db2.gz AVCOYMLCHFPWJH-FQEVSTJZSA-N 0 0 341.382 3.895 10 0 EHAERN COc1cc(/C=C/C(=O)N2CCC3(CCCC3)C2)cc(OC)c1OC ZINC000173763643 1031106491 /nfs/dbraw/zinc/10/64/91/1031106491.db2.gz ZVTQKNZTMQFFPN-VOTSOKGWSA-N 0 0 345.439 3.518 10 0 EHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000173915271 1031133577 /nfs/dbraw/zinc/13/35/77/1031133577.db2.gz STAFHNJHEXAKQW-SIFCLUCFSA-N 0 0 347.418 3.614 10 0 EHAERN O=C(NCCc1ccsc1)N1CCC(Nc2ccccc2F)CC1 ZINC000173898459 1031154970 /nfs/dbraw/zinc/15/49/70/1031154970.db2.gz JYHQYEOOFLQREP-UHFFFAOYSA-N 0 0 347.459 3.716 10 0 EHAERN O=C(CCc1ccccc1O)N1CCC(Nc2ccccc2F)CC1 ZINC000174070753 1031159601 /nfs/dbraw/zinc/15/96/01/1031159601.db2.gz RPTKVBVPHLICMW-UHFFFAOYSA-N 0 0 342.414 3.567 10 0 EHAERN COCc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174091798 1031163815 /nfs/dbraw/zinc/16/38/15/1031163815.db2.gz UBGWLGVKVYDDGT-UHFFFAOYSA-N 0 0 342.414 3.689 10 0 EHAERN COc1ccc([C@H]2CCCCCN2C(=O)c2ncncc2Cl)cc1 ZINC000175106467 1031276020 /nfs/dbraw/zinc/27/60/20/1031276020.db2.gz NGTNEWPMFSTCJK-MRXNPFEDSA-N 0 0 345.830 3.896 10 0 EHAERN COC[C@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(C)o1 ZINC000175662208 1031324299 /nfs/dbraw/zinc/32/42/99/1031324299.db2.gz SHESVTYSAUENHG-SFHVURJKSA-N 0 0 340.423 3.774 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)o1 ZINC000249260691 1031336430 /nfs/dbraw/zinc/33/64/30/1031336430.db2.gz YYAKFYYBVHBXPY-DFGXFYAUSA-N 0 0 332.444 3.782 10 0 EHAERN O[C@@H](C[C@@H]1CCCN1Cc1cn2ccsc2n1)c1cccs1 ZINC000175816033 1031384517 /nfs/dbraw/zinc/38/45/17/1031384517.db2.gz JJSFCOFVPHCRJD-KBPBESRZSA-N 0 0 333.482 3.545 10 0 EHAERN COCCCOc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000176274855 1031420449 /nfs/dbraw/zinc/42/04/49/1031420449.db2.gz SJMADNLVUPRMGR-AUUYWEPGSA-N 0 0 341.407 3.605 10 0 EHAERN CCS[C@H]1CCCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176466804 1031442611 /nfs/dbraw/zinc/44/26/11/1031442611.db2.gz HYROUNKWELTAGY-HNNXBMFYSA-N 0 0 345.512 3.938 10 0 EHAERN C[C@@H](Nc1cc(=O)n2ccccc2n1)c1ccc(-c2cccnc2)cc1 ZINC000176739420 1031453433 /nfs/dbraw/zinc/45/34/33/1031453433.db2.gz MVQHTZSVTLDWLR-OAHLLOKOSA-N 0 0 342.402 3.930 10 0 EHAERN Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3cccc(C)c3C)CCO2)o1 ZINC000158647950 1031514643 /nfs/dbraw/zinc/51/46/43/1031514643.db2.gz VXWNUEYTYBKVHG-LPHOPBHVSA-N 0 0 342.439 3.605 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccc2ccccc2c1 ZINC000177352350 1031560733 /nfs/dbraw/zinc/56/07/33/1031560733.db2.gz OYMZQBPQRSJYRS-UZLBHIALSA-N 0 0 348.450 3.972 10 0 EHAERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ncncc2Cl)o1 ZINC000177663559 1031586102 /nfs/dbraw/zinc/58/61/02/1031586102.db2.gz KXUPUUADEGUKPP-FZMZJTMJSA-N 0 0 333.819 3.899 10 0 EHAERN Cc1noc(C)c1CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000179044264 1031727982 /nfs/dbraw/zinc/72/79/82/1031727982.db2.gz PKSHKMHCVZVTQB-INIZCTEOSA-N 0 0 349.475 3.655 10 0 EHAERN CC[C@H](NC(=O)Nc1c[nH]nc1-c1ccccc1)c1nccs1 ZINC000179490342 1031778581 /nfs/dbraw/zinc/77/85/81/1031778581.db2.gz USYCFYBXWLKYOU-LBPRGKRZSA-N 0 0 327.413 3.806 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000117627758 1031782940 /nfs/dbraw/zinc/78/29/40/1031782940.db2.gz FZYOPVYPVVISNU-ABAIWWIYSA-N 0 0 336.313 3.542 10 0 EHAERN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117653316 1031786636 /nfs/dbraw/zinc/78/66/36/1031786636.db2.gz LHRREUXSNLNAGP-BMLIUANNSA-N 0 0 344.798 3.802 10 0 EHAERN COC(=O)Nc1cc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)ccc1F ZINC000117647454 1031787943 /nfs/dbraw/zinc/78/79/43/1031787943.db2.gz DCQZYFDMOHWNTC-HWPZZCPQSA-N 0 0 344.342 3.507 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000117758411 1031849796 /nfs/dbraw/zinc/84/97/96/1031849796.db2.gz ZCEOWNURMNNVMQ-KPZWWZAWSA-N 0 0 337.375 3.505 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)CCO1 ZINC000180225811 1031871610 /nfs/dbraw/zinc/87/16/10/1031871610.db2.gz BYGYYPRBDSAAQF-ZCDKGFTFSA-N 0 0 345.483 3.995 10 0 EHAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCC[C@H](c2nccs2)C1 ZINC000180326263 1031876608 /nfs/dbraw/zinc/87/66/08/1031876608.db2.gz YSHQBUGAGLHEMU-INIZCTEOSA-N 0 0 339.464 3.963 10 0 EHAERN CCCc1cnc(NC(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000180825015 1031913655 /nfs/dbraw/zinc/91/36/55/1031913655.db2.gz GELWEXNUWBSPIG-NSHDSACASA-N 0 0 336.486 3.964 10 0 EHAERN CCCCCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000084579824 1033918299 /nfs/dbraw/zinc/91/82/99/1033918299.db2.gz YOOILGPPAKNUNF-UHFFFAOYSA-N 0 0 349.475 3.767 10 0 EHAERN COc1cccc(OC)c1C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000101680578 1034052908 /nfs/dbraw/zinc/05/29/08/1034052908.db2.gz WAUHAPQXPWPWMR-UHFFFAOYSA-N 0 0 343.423 3.601 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)CCO2)o1 ZINC000120993526 1034285109 /nfs/dbraw/zinc/28/51/09/1034285109.db2.gz QJTALGNJZJZEHX-GJYPPUQNSA-N 0 0 342.439 3.863 10 0 EHAERN Cc1cccc(N(CCC(N)=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000102177490 1034423186 /nfs/dbraw/zinc/42/31/86/1034423186.db2.gz FQXWGRDZASXVET-UHFFFAOYSA-N 0 0 331.485 3.631 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000121284741 1034634013 /nfs/dbraw/zinc/63/40/13/1034634013.db2.gz SEKPMECNDBUGJA-GXTWGEPZSA-N 0 0 332.831 3.705 10 0 EHAERN CC(C)(C)OCc1cc(C(=O)N2CC=C(c3cccs3)CC2)no1 ZINC000185936103 1035543817 /nfs/dbraw/zinc/54/38/17/1035543817.db2.gz RDQXWCJXBFIQRJ-UHFFFAOYSA-N 0 0 346.452 3.981 10 0 EHAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2 ZINC000186049973 1035571473 /nfs/dbraw/zinc/57/14/73/1035571473.db2.gz KKTUKSWHERLASE-CQSZACIVSA-N 0 0 333.391 3.723 10 0 EHAERN CC[C@@H](CC(=O)N1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000186444870 1035637385 /nfs/dbraw/zinc/63/73/85/1035637385.db2.gz WJSBIANDLUHPPO-SFHVURJKSA-N 0 0 337.467 3.704 10 0 EHAERN CN1Cc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc2NC1=O ZINC000186641239 1035676738 /nfs/dbraw/zinc/67/67/38/1035676738.db2.gz KIIFNDHSOVNPEO-UHFFFAOYSA-N 0 0 344.802 3.639 10 0 EHAERN COCC1=CCN(Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000187615846 1035849479 /nfs/dbraw/zinc/84/94/79/1035849479.db2.gz ZTVUGTRJVFGOKJ-UHFFFAOYSA-N 0 0 331.847 3.519 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000188386840 1035917161 /nfs/dbraw/zinc/91/71/61/1035917161.db2.gz REYIXDWFSUSGAK-RTBURBONSA-N 0 0 341.455 3.513 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188580776 1035951181 /nfs/dbraw/zinc/95/11/81/1035951181.db2.gz JBYLYZHZXCXWBH-XIKOKIGWSA-N 0 0 338.382 3.544 10 0 EHAERN Cc1csc([C@@H]2COCCN2c2nc(-c3ccccc3)ns2)n1 ZINC000189134127 1036021403 /nfs/dbraw/zinc/02/14/03/1036021403.db2.gz NIZGEBAEHGCJJG-ZDUSSCGKSA-N 0 0 344.465 3.548 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@H]2CC[C@@H](CO)CC2)cs1 ZINC000189217141 1036035817 /nfs/dbraw/zinc/03/58/17/1036035817.db2.gz GHPRENCHQPNVBG-CTYIDZIISA-N 0 0 345.468 3.791 10 0 EHAERN O=C(NC[C@H]1COC2(CCCCC2)O1)Nc1ccsc1Cl ZINC000189355376 1036059210 /nfs/dbraw/zinc/05/92/10/1036059210.db2.gz SKGNVICMSADBFZ-JTQLQIEISA-N 0 0 330.837 3.599 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000189711320 1036111962 /nfs/dbraw/zinc/11/19/62/1036111962.db2.gz YPTZYWJXVGKAJL-SFHVURJKSA-N 0 0 337.427 3.969 10 0 EHAERN O=C(c1c(F)cc(F)cc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189787922 1036128911 /nfs/dbraw/zinc/12/89/11/1036128911.db2.gz ZEQPPTUXQKUMQL-UHFFFAOYSA-N 0 0 347.336 3.813 10 0 EHAERN C[C@H](Cc1ccccc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189829948 1036152319 /nfs/dbraw/zinc/15/23/19/1036152319.db2.gz DSMPVSKVGKPQEO-QGZVFWFLSA-N 0 0 335.447 3.960 10 0 EHAERN O=C(c1ccc(F)cc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189853012 1036156364 /nfs/dbraw/zinc/15/63/64/1036156364.db2.gz NZXZGKQLQZSGDA-UHFFFAOYSA-N 0 0 329.346 3.673 10 0 EHAERN C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000332815784 1036222333 /nfs/dbraw/zinc/22/23/33/1036222333.db2.gz YZRFMBUUOMYPBG-OWCLPIDISA-N 0 0 346.519 3.716 10 0 EHAERN C/C(=C\c1ccc(C)cc1)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190377557 1036231907 /nfs/dbraw/zinc/23/19/07/1036231907.db2.gz XUVYFJKEAXUFEJ-FYWRMAATSA-N 0 0 341.480 3.958 10 0 EHAERN Cc1ccccc1/C=C/C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190439512 1036241553 /nfs/dbraw/zinc/24/15/53/1036241553.db2.gz YDCSZAIWDFCFMO-VOTSOKGWSA-N 0 0 327.453 3.568 10 0 EHAERN COCCCN(C)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000190457054 1036243135 /nfs/dbraw/zinc/24/31/35/1036243135.db2.gz VZUJGZAJYGZBFC-UHFFFAOYSA-N 0 0 347.484 3.564 10 0 EHAERN O=C(CCOCC(F)(F)C(F)F)N1CC=C(c2ccccc2)CC1 ZINC000190518901 1036256363 /nfs/dbraw/zinc/25/63/63/1036256363.db2.gz GBSUGMFLGLQBBC-UHFFFAOYSA-N 0 0 345.336 3.609 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCCc1nc2ccccc2[nH]1 ZINC000190610810 1036264788 /nfs/dbraw/zinc/26/47/88/1036264788.db2.gz CFXVRURARCNPFO-INIZCTEOSA-N 0 0 349.434 3.834 10 0 EHAERN C[C@H]1CC(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000332857475 1036322995 /nfs/dbraw/zinc/32/29/95/1036322995.db2.gz CIPLOVRITGGHDX-ZJNRKIDTSA-N 0 0 334.435 3.706 10 0 EHAERN Cn1cc(C2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cn1 ZINC000332873778 1036367879 /nfs/dbraw/zinc/36/78/79/1036367879.db2.gz UUUSTGXOVUQOPQ-SZVBFZGTSA-N 0 0 344.503 3.668 10 0 EHAERN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000191879395 1036436820 /nfs/dbraw/zinc/43/68/20/1036436820.db2.gz UYESCHGOZDMVJF-HZPDHXFCSA-N 0 0 326.396 3.958 10 0 EHAERN CCCc1ccc(NC(=O)N2CCC(c3nnc(CC)[nH]3)CC2)cc1 ZINC000191964911 1036447087 /nfs/dbraw/zinc/44/70/87/1036447087.db2.gz RHSZRRZSJYQPSO-UHFFFAOYSA-N 0 0 341.459 3.731 10 0 EHAERN Cc1ccccc1NC(=O)CN1CC2(CCOCC2)c2ccccc21 ZINC000192287757 1036493118 /nfs/dbraw/zinc/49/31/18/1036493118.db2.gz QDHGBBGWDRDTID-UHFFFAOYSA-N 0 0 336.435 3.502 10 0 EHAERN COc1cccc2c1CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000192600713 1036533415 /nfs/dbraw/zinc/53/34/15/1036533415.db2.gz ZXFNGACNZPFDGO-UHFFFAOYSA-N 0 0 339.222 3.571 10 0 EHAERN COc1cc(SC)ccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000192693697 1036539964 /nfs/dbraw/zinc/53/99/64/1036539964.db2.gz OOWUVHNYJQGQLX-GTNSWQLSSA-N 0 0 329.421 3.920 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1cnc([C@H]2CCCO2)s1 ZINC000089658762 1036551924 /nfs/dbraw/zinc/55/19/24/1036551924.db2.gz ZMRJFAPPZCMOHE-VQXHTEKXSA-N 0 0 348.390 3.846 10 0 EHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H](c1ccccc1)C1CC1 ZINC000193244392 1036584443 /nfs/dbraw/zinc/58/44/43/1036584443.db2.gz QITWDSQMTXPNIS-HKUYNNGSSA-N 0 0 349.434 3.563 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CCc2cccc(OC)c2CC1 ZINC000193418532 1036684309 /nfs/dbraw/zinc/68/43/09/1036684309.db2.gz NTJPPZQSQPMFOG-UHFFFAOYSA-N 0 0 340.423 3.645 10 0 EHAERN Cc1cc(NC(=O)[C@@H](C)SCc2csc(C(C)(C)C)n2)on1 ZINC000105633391 1037229217 /nfs/dbraw/zinc/22/92/17/1037229217.db2.gz ANJOMAMRRJHWMT-SNVBAGLBSA-N 0 0 339.486 3.997 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(F)c(F)c(F)c1F ZINC000101525564 1037568436 /nfs/dbraw/zinc/56/84/36/1037568436.db2.gz WYFBVHFORYKBTR-UHFFFAOYSA-N 0 0 337.232 3.545 10 0 EHAERN C[C@H](Nc1cccc2c1CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCOC1 ZINC000302093592 1037589553 /nfs/dbraw/zinc/58/95/53/1037589553.db2.gz FXDWAEVDIZOCSD-GOEBONIOSA-N 0 0 346.471 3.817 10 0 EHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)c1ccncc1)CCC2 ZINC000111798194 1037742525 /nfs/dbraw/zinc/74/25/25/1037742525.db2.gz SSKWIHHGQMJSDB-IAQYHMDHSA-N 0 0 330.457 3.627 10 0 EHAERN Cc1ccc([C@H]2COCCN2C(=O)/C=C/c2cccc3cccnc23)o1 ZINC000116700563 1037842496 /nfs/dbraw/zinc/84/24/96/1037842496.db2.gz GAWSVGQZJBZTEE-XSFOEPMVSA-N 0 0 348.402 3.750 10 0 EHAERN CCOc1cc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)ccc1OC ZINC000117616907 1037857816 /nfs/dbraw/zinc/85/78/16/1037857816.db2.gz XUIULIVWWLXAQS-KZULUSFZSA-N 0 0 327.380 3.597 10 0 EHAERN CC[C@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)cc1 ZINC000123854764 1038089831 /nfs/dbraw/zinc/08/98/31/1038089831.db2.gz VKUJFPVDLFRPNO-SFHVURJKSA-N 0 0 343.446 3.534 10 0 EHAERN CCc1ccc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247094557 1038204073 /nfs/dbraw/zinc/20/40/73/1038204073.db2.gz RURUKMNKHIVOBW-ZAAXVRCTSA-N 0 0 330.472 3.647 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2c1 ZINC000151083282 1039726086 /nfs/dbraw/zinc/72/60/86/1039726086.db2.gz VKLQFFWYDYOEKS-UTKZUKDTSA-N 0 0 338.451 3.619 10 0 EHAERN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151178040 1039766918 /nfs/dbraw/zinc/76/69/18/1039766918.db2.gz NGYMLUAYVXSRNT-AUUYWEPGSA-N 0 0 346.858 3.517 10 0 EHAERN O=C(N[C@H]1CCCC[C@H]1O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000332934959 1040208965 /nfs/dbraw/zinc/20/89/65/1040208965.db2.gz HSPWOQAOCFEYMB-DOTOQJQBSA-N 0 0 336.391 3.528 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCSc3ccccc32)cn1 ZINC000171462205 1040489641 /nfs/dbraw/zinc/48/96/41/1040489641.db2.gz MKEMJLDCQPYMTP-HZPDHXFCSA-N 0 0 342.468 3.504 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000248964114 1040884037 /nfs/dbraw/zinc/88/40/37/1040884037.db2.gz NKGRPECXORTWIZ-XFKSJGNHSA-N 0 0 341.455 3.650 10 0 EHAERN CC[C@@H](N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(OC)cc1 ZINC000162534489 1042733646 /nfs/dbraw/zinc/73/36/46/1042733646.db2.gz BSHGCAJJRVLDKJ-RTBURBONSA-N 0 0 336.439 3.952 10 0 EHAERN CC[C@H](N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000162515951 1042736144 /nfs/dbraw/zinc/73/61/44/1042736144.db2.gz XHFLWGBOACZDOR-AZUAARDMSA-N 0 0 348.450 3.878 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)sc1C ZINC000408231655 1042805128 /nfs/dbraw/zinc/80/51/28/1042805128.db2.gz OEKZESKIKXXBMJ-CYBMUJFWSA-N 0 0 345.468 3.647 10 0 EHAERN CC(C)c1nc(C(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1ccccc1F ZINC000330324111 1042900759 /nfs/dbraw/zinc/90/07/59/1042900759.db2.gz TZXWIAWORQZVRW-UKRRQHHQSA-N 0 0 342.418 3.544 10 0 EHAERN CC1(C)CN(C(=O)c2ncoc2[C@@H]2CCCO2)CC[C@H]1C(F)(F)F ZINC000408342917 1043393316 /nfs/dbraw/zinc/39/33/16/1043393316.db2.gz LXZQRDOPRGUZGK-WDEREUQCSA-N 0 0 346.349 3.577 10 0 EHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)C[C@@H]2CCCC(C)(C)C2)o1 ZINC000408385874 1044489497 /nfs/dbraw/zinc/48/94/97/1044489497.db2.gz MMJTVMQYWNGEKB-GJZGRUSLSA-N 0 0 349.475 3.699 10 0 EHAERN CO[C@H]1CCC[C@H]1OC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000111971818 1044527909 /nfs/dbraw/zinc/52/79/09/1044527909.db2.gz ICJVJLPZDDDNOX-LSDHHAIUSA-N 0 0 333.359 3.524 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1 ZINC000268475981 1128539348 /nfs/dbraw/zinc/53/93/48/1128539348.db2.gz NRBZOTUVKLWENW-NCOADZHNSA-N 0 0 332.444 3.646 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(C)s1 ZINC000268817654 1128701755 /nfs/dbraw/zinc/70/17/55/1128701755.db2.gz FXUAOYXMMMZAJJ-YEWWUXTCSA-N 0 0 336.501 3.763 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000268931419 1128729092 /nfs/dbraw/zinc/72/90/92/1128729092.db2.gz XMZJBXNNNFESSM-XIKOKIGWSA-N 0 0 332.831 3.589 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)o1 ZINC000269026582 1128735682 /nfs/dbraw/zinc/73/56/82/1128735682.db2.gz KNGSZQSTRMKCFR-HUUCEWRRSA-N 0 0 328.416 3.625 10 0 EHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@]1(C)CCOC1 ZINC000270230755 1128860429 /nfs/dbraw/zinc/86/04/29/1128860429.db2.gz QERNHWYFYZCFSH-DNVCBOLYSA-N 0 0 331.460 3.674 10 0 EHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCc2cccnc2Cl)cc1 ZINC000103813400 1133557115 /nfs/dbraw/zinc/55/71/15/1133557115.db2.gz UJETXQHPERHQEU-XHDPSFHLSA-N 0 0 344.798 3.687 10 0 EHAERN Cc1ccc2c(CC(=O)N3CCC(OCC(C)C)CC3)c[nH]c2c1 ZINC000101817264 1135400157 /nfs/dbraw/zinc/40/01/57/1135400157.db2.gz IEZQFMMJZCZYOM-UHFFFAOYSA-N 0 0 328.456 3.682 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CC3CCCCC3)C2)o1 ZINC000102143450 1135464825 /nfs/dbraw/zinc/46/48/25/1135464825.db2.gz OMRRPSIWFDDFFJ-QGZVFWFLSA-N 0 0 347.455 3.954 10 0 EHAERN Cc1nn(-c2ccccc2)cc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000102467353 1135565866 /nfs/dbraw/zinc/56/58/66/1135565866.db2.gz HNYRFAYIZUAOCV-UHFFFAOYSA-N 0 0 340.814 3.501 10 0 EHAERN CCOCCO[C@@H](C)C(=O)Oc1cccc(Oc2ccccc2)c1 ZINC000105755013 1135969535 /nfs/dbraw/zinc/96/95/35/1135969535.db2.gz WCUMKIQZIASILD-HNNXBMFYSA-N 0 0 330.380 3.826 10 0 EHAERN O=C(Oc1ccccc1OC(F)F)c1coc(Br)c1 ZINC000105982864 1136015285 /nfs/dbraw/zinc/01/52/85/1136015285.db2.gz ZUOMELYIOGAQGL-UHFFFAOYSA-N 0 0 333.084 3.863 10 0 EHAERN CCCCOc1ccccc1COC(=O)CCc1c(C)nn(C)c1C ZINC000103675268 1137471142 /nfs/dbraw/zinc/47/11/42/1137471142.db2.gz IJZSUWSQNUWEBP-UHFFFAOYSA-N 0 0 344.455 3.892 10 0 EHAERN Cc1cc(SC(C)(C)C)ccc1NC(=O)NCc1ccnn1C ZINC000101758728 1137871513 /nfs/dbraw/zinc/87/15/13/1137871513.db2.gz ONMONBKTPRJTKA-UHFFFAOYSA-N 0 0 332.473 3.941 10 0 EHAERN COc1cccc(N2CC[C@H](CNC(=O)c3cc(C)c(C)s3)C2)c1 ZINC000102383528 1137872937 /nfs/dbraw/zinc/87/29/37/1137872937.db2.gz NNEHEKHBLHAOOS-OAHLLOKOSA-N 0 0 344.480 3.630 10 0 EHAERN Clc1ccc([C@@H]2CN(CCCCCn3cccn3)CCO2)cc1 ZINC000104675340 1137879071 /nfs/dbraw/zinc/87/90/71/1137879071.db2.gz RXEFGUWMWZACOX-SFHVURJKSA-N 0 0 333.863 3.780 10 0 EHAERN CC[C@@H]1CN(C(=O)Nc2ncc(OC)cn2)CC[C@H]1c1ccccc1 ZINC000333233926 1137958923 /nfs/dbraw/zinc/95/89/23/1137958923.db2.gz YPJVDVNBMZRWGL-RHSMWYFYSA-N 0 0 340.427 3.533 10 0 EHAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000333471670 1138294963 /nfs/dbraw/zinc/29/49/63/1138294963.db2.gz RAIKXFLAFHGHPR-DDUZABMNSA-N 0 0 330.428 3.854 10 0 EHAERN CCc1cnc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)s1 ZINC000186941389 1140229060 /nfs/dbraw/zinc/22/90/60/1140229060.db2.gz ABOMMKIMBCMSEV-ZDUSSCGKSA-N 0 0 336.486 3.517 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2)cs1 ZINC000187057935 1140235476 /nfs/dbraw/zinc/23/54/76/1140235476.db2.gz OXBLYUQVOGZZNG-HNNXBMFYSA-N 0 0 336.844 3.847 10 0 EHAERN COC[C@@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(C)o1 ZINC000187399617 1140253558 /nfs/dbraw/zinc/25/35/58/1140253558.db2.gz CTLOGYOEKMWTPF-HIFRSBDPSA-N 0 0 349.456 3.587 10 0 EHAERN CSc1cccc(NC(=O)CN2CCC[C@H]2c2csc(C)n2)c1 ZINC000189777828 1140362823 /nfs/dbraw/zinc/36/28/23/1140362823.db2.gz ANGOWCIYCYEDMU-INIZCTEOSA-N 0 0 347.509 3.949 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2cn(C)nc2-c2cccnc2)cs1 ZINC000189932156 1140372595 /nfs/dbraw/zinc/37/25/95/1140372595.db2.gz TYXLLSLZZZSWGO-KRWDZBQOSA-N 0 0 339.468 3.584 10 0 EHAERN Cc1cc([C@H]2CCCN(C(=O)c3sc(C(C)(C)C)nc3C)C2)[nH]n1 ZINC000283202514 1141572584 /nfs/dbraw/zinc/57/25/84/1141572584.db2.gz MVMRIMDLACZWQJ-ZDUSSCGKSA-N 0 0 346.500 3.800 10 0 EHAERN N[C@H](c1nnc(-c2ccc(Br)s2)o1)c1ccccc1 ZINC000050283914 214051924 /nfs/dbraw/zinc/05/19/24/214051924.db2.gz PAOXMURXCDMZNX-NSHDSACASA-N 0 0 336.214 3.609 10 0 EHAERN CCC[C@@H](CC)NC(=O)c1cc(Br)cnc1NCC ZINC000050771448 214069571 /nfs/dbraw/zinc/06/95/71/214069571.db2.gz XDBTXTFFLMYPDP-LLVKDONJSA-N 0 0 328.254 3.584 10 0 EHAERN FC(F)(F)CN(CCNc1ccc(Br)cc1)C1CC1 ZINC000053390289 214180463 /nfs/dbraw/zinc/18/04/63/214180463.db2.gz JWTRIHXUQWGMEY-UHFFFAOYSA-N 0 0 337.183 3.888 10 0 EHAERN O[C@@H](Cc1ccc(F)cc1)Cc1cc(Br)ccc1F ZINC000053783574 214197610 /nfs/dbraw/zinc/19/76/10/214197610.db2.gz WOZFTLMOSXFIJK-AWEZNQCLSA-N 0 0 327.168 3.873 10 0 EHAERN O[C@H](COc1ccccc1)Cc1cc(F)ccc1Br ZINC000054436710 214239218 /nfs/dbraw/zinc/23/92/18/214239218.db2.gz JSYBUXORIJKENF-ZDUSSCGKSA-N 0 0 325.177 3.571 10 0 EHAERN O[C@H](Cc1ccc(F)cc1F)Cc1ccccc1Br ZINC000055334998 214308782 /nfs/dbraw/zinc/30/87/82/214308782.db2.gz YKGWKTZZAJACGY-ZDUSSCGKSA-N 0 0 327.168 3.873 10 0 EHAERN Cc1cc(Br)cc(C)c1NCC(=O)N1CCCCCC1 ZINC000055412722 214321187 /nfs/dbraw/zinc/32/11/87/214321187.db2.gz LERIOZJNICCIIR-UHFFFAOYSA-N 0 0 339.277 3.880 10 0 EHAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Cl)c(F)c3)n2)c1 ZINC000057341704 214419010 /nfs/dbraw/zinc/41/90/10/214419010.db2.gz MRPBFQJXMQPPQI-UHFFFAOYSA-N 0 0 345.761 3.982 10 0 EHAERN C[C@@H]1[C@@H](C(=O)OC(C)(C)C)CCCN1C(=O)OCc1ccccc1 ZINC000098087565 219082365 /nfs/dbraw/zinc/08/23/65/219082365.db2.gz HRISBMYHHVBLFC-ZBFHGGJFSA-N 0 0 333.428 3.765 10 0 EHAERN C[C@@H](Nc1cc(Br)ccc1Cl)C(=O)NC1CCCC1 ZINC000061691340 214671960 /nfs/dbraw/zinc/67/19/60/214671960.db2.gz VJXUHJHBQWRQJO-SECBINFHSA-N 0 0 345.668 3.962 10 0 EHAERN CC(=O)N1N=C(c2ccccc2Cl)O[C@@]1(C)c1ccc(F)cc1 ZINC000064819947 214807625 /nfs/dbraw/zinc/80/76/25/214807625.db2.gz JSKAXBPGMYBLSK-KRWDZBQOSA-N 0 0 332.762 3.892 10 0 EHAERN O=C(/C=C\c1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000101323537 219122557 /nfs/dbraw/zinc/12/25/57/219122557.db2.gz NIXUXHYMJXVIBN-TWGQIWQCSA-N 0 0 349.356 3.609 10 0 EHAERN Cc1c(-c2cccc(NC(=O)Cc3ccccc3)c2)nc2ncccn12 ZINC000004033212 210104736 /nfs/dbraw/zinc/10/47/36/210104736.db2.gz CXDFIAFMCFXQGL-UHFFFAOYSA-N 0 0 342.402 3.886 10 0 EHAERN COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1F ZINC000003814654 210076827 /nfs/dbraw/zinc/07/68/27/210076827.db2.gz RSYPHTZEXAJUHX-UHFFFAOYSA-N 0 0 347.411 3.576 10 0 EHAERN CNC(=O)c1ccc(N)c(Sc2ccc(Br)cc2)c1 ZINC000103961103 219333313 /nfs/dbraw/zinc/33/33/13/219333313.db2.gz LHZVJMVBMGVRDT-UHFFFAOYSA-N 0 0 337.242 3.542 10 0 EHAERN C[C@H](O)c1ccc(N2C[C@H](C)OC(C)(C)C2)c(Br)c1 ZINC000103916351 219329250 /nfs/dbraw/zinc/32/92/50/219329250.db2.gz GJNFDZFVFLUROC-QWRGUYRKSA-N 0 0 328.250 3.506 10 0 EHAERN O=C1Nc2cc(Sc3cccc(Br)c3)ccc2[C@H]1O ZINC000104288883 219371116 /nfs/dbraw/zinc/37/11/16/219371116.db2.gz XZAVYTUUDDQIAJ-CYBMUJFWSA-N 0 0 336.210 3.586 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2ccccc2OC)c1N ZINC000040781503 213385808 /nfs/dbraw/zinc/38/58/08/213385808.db2.gz BJVGFXSBVHHYJX-UHFFFAOYSA-N 0 0 337.383 3.563 10 0 EHAERN Nc1c(Nc2nccs2)ncnc1Nc1cccc2cccnc21 ZINC000040758301 213383548 /nfs/dbraw/zinc/38/35/48/213383548.db2.gz QDUGUIFSQCVBST-UHFFFAOYSA-N 0 0 335.396 3.551 10 0 EHAERN COc1ccc(Cl)cc1Nc1ncnc(NC2CCCC2)c1N ZINC000040702591 213371228 /nfs/dbraw/zinc/37/12/28/213371228.db2.gz HVQYGNDQSBRXHH-UHFFFAOYSA-N 0 0 333.823 3.819 10 0 EHAERN COc1cccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1 ZINC000040688035 213369083 /nfs/dbraw/zinc/36/90/83/213369083.db2.gz DMZUEHHDXRMZPW-UHFFFAOYSA-N 0 0 342.790 3.603 10 0 EHAERN Nc1c(Nc2ccccn2)ncnc1Nc1ccccc1C(F)(F)F ZINC000040701781 213372078 /nfs/dbraw/zinc/37/20/78/213372078.db2.gz YBDSHOFCBHIUJJ-UHFFFAOYSA-N 0 0 346.316 3.960 10 0 EHAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2ccccn2)c1N ZINC000040701564 213371741 /nfs/dbraw/zinc/37/17/41/213371741.db2.gz MVJFMTGCUGANGS-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN CCOC(=O)CCC(=O)CCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000040443164 213303496 /nfs/dbraw/zinc/30/34/96/213303496.db2.gz XQVTWFCNTYZWEV-UHFFFAOYSA-N 0 0 330.302 3.581 10 0 EHAERN COC(=O)Cn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000040250351 213285125 /nfs/dbraw/zinc/28/51/25/213285125.db2.gz VJFVTPLOKDCCJK-UHFFFAOYSA-N 0 0 345.196 3.639 10 0 EHAERN COC(=O)Cn1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000040238199 213284203 /nfs/dbraw/zinc/28/42/03/213284203.db2.gz VRNCAPRFQWXFTI-UHFFFAOYSA-N 0 0 346.386 3.942 10 0 EHAERN CC(C)(C)C(=O)NCc1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000040190247 213280622 /nfs/dbraw/zinc/28/06/22/213280622.db2.gz ZUENUOZPIQBKLX-UHFFFAOYSA-N 0 0 339.414 3.886 10 0 EHAERN Cc1ccccc1NC(=O)c1cn(C)c2c(Cl)cccc2c1=O ZINC000039962940 213247255 /nfs/dbraw/zinc/24/72/55/213247255.db2.gz LRVZYNCMGLHYSP-UHFFFAOYSA-N 0 0 326.783 3.753 10 0 EHAERN Nc1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000038033794 213194291 /nfs/dbraw/zinc/19/42/91/213194291.db2.gz CPPGTJIXICBNSM-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN CC[C@@H](C)C[C@](CC)(Nc1ccccc1Br)C(N)=O ZINC000037943984 213174844 /nfs/dbraw/zinc/17/48/44/213174844.db2.gz UVFZLIQTVFGJEI-ABAIWWIYSA-N 0 0 327.266 3.931 10 0 EHAERN COc1ccc(C(=O)c2cc(F)cc(F)c2)c(Br)c1 ZINC000037444648 213147822 /nfs/dbraw/zinc/14/78/22/213147822.db2.gz YYAQDHHUKWZZGI-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN CCn1cc(N)cc1C(=O)Nc1ccc(Br)cc1Cl ZINC000036862712 213124722 /nfs/dbraw/zinc/12/47/22/213124722.db2.gz VDAZKSHGRNVHRF-UHFFFAOYSA-N 0 0 342.624 3.758 10 0 EHAERN Nc1ccc(NC(=O)c2ccc(F)cc2F)c(Br)c1 ZINC000036738565 213115193 /nfs/dbraw/zinc/11/51/93/213115193.db2.gz PVWDPUVJFLDIFF-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN Cc1c(C(=O)Oc2cccc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000036639027 213105989 /nfs/dbraw/zinc/10/59/89/213105989.db2.gz IYQDBHNWMUVDEB-UHFFFAOYSA-N 0 0 327.771 3.757 10 0 EHAERN Cc1cc(C)c(C)c2occ(CC(=O)N3CC(c4ccncc4)C3)c21 ZINC000072137308 216025353 /nfs/dbraw/zinc/02/53/53/216025353.db2.gz GBUXZHAKTXTQGI-UHFFFAOYSA-N 0 0 334.419 3.922 10 0 EHAERN N[C@H](c1cc(I)ccc1Cl)C(F)(F)F ZINC000072190925 216068343 /nfs/dbraw/zinc/06/83/43/216068343.db2.gz VSTQLSCATBLLAF-SSDOTTSWSA-N 0 0 335.494 3.507 10 0 EHAERN COc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)[nH]c2=O)cc1 ZINC000072451039 216238386 /nfs/dbraw/zinc/23/83/86/216238386.db2.gz CBBYIBFGCAXHPN-UHFFFAOYSA-N 0 0 334.375 3.611 10 0 EHAERN COCc1nn2c(ncc3c2CCCCC3)c1-c1ccc(F)cc1 ZINC000072451939 216239404 /nfs/dbraw/zinc/23/94/04/216239404.db2.gz JNHDATXNFKMUJT-UHFFFAOYSA-N 0 0 325.387 3.951 10 0 EHAERN CCOC(=O)[C@H](NC1CCCC1)c1cccc(Br)c1 ZINC000037970793 213177376 /nfs/dbraw/zinc/17/73/76/213177376.db2.gz SVFUGSVAOSYECQ-CQSZACIVSA-N 0 0 326.234 3.586 10 0 EHAERN CCOC(=O)[C@@](C)(N[C@@H](C)CC)c1cccc(Br)c1 ZINC000038067693 213199650 /nfs/dbraw/zinc/19/96/50/213199650.db2.gz QZCUPDWBNJUNRA-NHYWBVRUSA-N 0 0 328.250 3.616 10 0 EHAERN CCOC(=O)[C@@](C)(N[C@H](C)CC)c1ccccc1Br ZINC000038067710 213199934 /nfs/dbraw/zinc/19/99/34/213199934.db2.gz NDHNQXKSDJLWKY-ABAIWWIYSA-N 0 0 328.250 3.616 10 0 EHAERN CC1(C)CO[C@H](c2ccccc2)CN1CC[S@@](=O)c1ccccc1 ZINC000201483235 241040228 /nfs/dbraw/zinc/04/02/28/241040228.db2.gz QTOWWCYDVQQUKD-YADARESESA-N 0 0 343.492 3.646 10 0 EHAERN O=C(Nc1nccs1)c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000021142765 212210719 /nfs/dbraw/zinc/21/07/19/212210719.db2.gz VPEVEEJVINAJLD-UHFFFAOYSA-N 0 0 341.367 3.787 10 0 EHAERN Cc1cc(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)no1 ZINC000020408015 212127406 /nfs/dbraw/zinc/12/74/06/212127406.db2.gz QRTLELZYJFDTQE-UHFFFAOYSA-N 0 0 335.363 3.796 10 0 EHAERN CC[C@H](CO)Nc1ncnc2sc(C)c(-c3ccc(F)cc3)c21 ZINC000020321494 212118780 /nfs/dbraw/zinc/11/87/80/212118780.db2.gz HQADALYEXFTYFZ-CYBMUJFWSA-N 0 0 331.416 3.989 10 0 EHAERN COc1ccc(CNc2ccc(Br)cc2F)cc1O ZINC000019907953 212081789 /nfs/dbraw/zinc/08/17/89/212081789.db2.gz UTLGPNUSKSZLGC-UHFFFAOYSA-N 0 0 326.165 3.915 10 0 EHAERN NC(=S)c1ccc(Nc2ccc(Br)cc2F)cc1 ZINC000019866751 212077566 /nfs/dbraw/zinc/07/75/66/212077566.db2.gz VVGPXFXQFPORMD-UHFFFAOYSA-N 0 0 325.206 3.966 10 0 EHAERN CCS[C@H]1CC(=O)N(c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000019765868 212063512 /nfs/dbraw/zinc/06/35/12/212063512.db2.gz JBLPBDSENSVAIL-JTQLQIEISA-N 0 0 337.750 3.744 10 0 EHAERN CCCN(CCC)c1cc(C)nc2c(Br)c(C)nn21 ZINC000090448171 217930373 /nfs/dbraw/zinc/93/03/73/217930373.db2.gz NDKFDTVMTBJBBS-UHFFFAOYSA-N 0 0 325.254 3.735 10 0 EHAERN C[C@H](c1ccccc1)N1CCN(CC(=O)c2ccc(Cl)s2)CC1 ZINC000090488142 217933471 /nfs/dbraw/zinc/93/34/71/217933471.db2.gz WQKFHJGUZHDTFW-CQSZACIVSA-N 0 0 348.899 3.963 10 0 EHAERN COc1cc(OC)c(Nc2nc(C)nc3ccccc32)c(OC)c1 ZINC000090528083 217936560 /nfs/dbraw/zinc/93/65/60/217936560.db2.gz UTHHUOKPBNSVHR-UHFFFAOYSA-N 0 0 325.368 3.708 10 0 EHAERN Nc1ncnc2nc(-c3ccc4c(c3)OCO4)cc(-c3cccs3)c12 ZINC000009694514 211115875 /nfs/dbraw/zinc/11/58/75/211115875.db2.gz UMHYAMOXDWASHW-UHFFFAOYSA-N 0 0 348.387 3.731 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccccc3o2)C1 ZINC000095085443 218276521 /nfs/dbraw/zinc/27/65/21/218276521.db2.gz BZNGJSCEJNKIEQ-CYBMUJFWSA-N 0 0 332.400 3.854 10 0 EHAERN FC(F)(F)N(Cc1ccccc1I)C1CC1 ZINC000095076918 218273318 /nfs/dbraw/zinc/27/33/18/218273318.db2.gz UTDDOBDQMMEKAN-UHFFFAOYSA-N 0 0 341.114 3.775 10 0 EHAERN CC(C)[C@@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 ZINC000005442587 210464435 /nfs/dbraw/zinc/46/44/35/210464435.db2.gz QTYCMDBMOLSEAM-RYQLBKOJSA-N 0 0 333.863 3.588 10 0 in-vitro EHAERN CS(=O)(=O)CCc1ccc(N[C@@H]2CCCc3sccc32)cc1 ZINC000097232332 219001157 /nfs/dbraw/zinc/00/11/57/219001157.db2.gz KIBAFPYATQLIHM-MRXNPFEDSA-N 0 0 335.494 3.825 10 0 EHAERN Cc1ccc(Nc2ncnc(N3CCc4ccccc4C3)c2N)cc1 ZINC000040780486 132407223 /nfs/dbraw/zinc/40/72/23/132407223.db2.gz IZNYPRNBQDFEPW-UHFFFAOYSA-N 0 0 331.423 3.674 10 0 EHAERN COc1ccccc1Nc1ncnc(N2CCCc3ccccc32)c1N ZINC000040780089 132407558 /nfs/dbraw/zinc/40/75/58/132407558.db2.gz LXIUTQCCGBMUAG-UHFFFAOYSA-N 0 0 347.422 3.895 10 0 EHAERN CN1c2cc(Cl)ccc2OC[C@H]1CC(=O)NCCC1=CCCCC1 ZINC000064663693 132806351 /nfs/dbraw/zinc/80/63/51/132806351.db2.gz SOOIDGICEFALMJ-MRXNPFEDSA-N 0 0 348.874 3.934 10 0 EHAERN O=C(NC1CCCCCCC1)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1 ZINC000138781073 534795599 /nfs/dbraw/zinc/79/55/99/534795599.db2.gz QKZZVELICNELNY-UHFFFAOYSA-N 0 0 337.427 3.796 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)N[C@@H]2CCCc3c(O)cccc32)n1 ZINC000188483744 526409503 /nfs/dbraw/zinc/40/95/03/526409503.db2.gz MZGWNYYPSBUGFA-BXUZGUMPSA-N 0 0 331.441 3.595 10 0 EHAERN COc1cccc(-c2cc(C(F)(F)F)nc(Br)n2)c1 ZINC000217029017 537063319 /nfs/dbraw/zinc/06/33/19/537063319.db2.gz LLLXRIMSGNYWIA-UHFFFAOYSA-N 0 0 333.107 3.934 10 0 EHAERN COc1ccc(C(C)(C)C)cc1NCN1C(=O)c2ccccc2C1=O ZINC000005383802 563530493 /nfs/dbraw/zinc/53/04/93/563530493.db2.gz ALVNQVCRLQHTIZ-UHFFFAOYSA-N 0 0 338.407 3.658 10 0 EHAERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000013465762 563698813 /nfs/dbraw/zinc/69/88/13/563698813.db2.gz ACAWGULOCOEAFW-HZUKXOBISA-N 0 0 327.877 3.833 10 0 EHAERN Cc1oc(-c2ccc(C)cc2C)nc1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000032918815 563914491 /nfs/dbraw/zinc/91/44/91/563914491.db2.gz DLXGORYQTUNNEH-UHFFFAOYSA-N 0 0 328.412 3.563 10 0 EHAERN c1cc2ccc(CN3CCCC[C@@H]3c3nncn3CC3CC3)cc2[nH]1 ZINC000097941511 563951019 /nfs/dbraw/zinc/95/10/19/563951019.db2.gz MOGPPGPAHDAQMU-LJQANCHMSA-N 0 0 335.455 3.897 10 0 EHAERN CCOc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000071790540 563965834 /nfs/dbraw/zinc/96/58/34/563965834.db2.gz DBOMOTFAXBHSNK-CYBMUJFWSA-N 0 0 337.391 3.518 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000583621256 564018121 /nfs/dbraw/zinc/01/81/21/564018121.db2.gz FGDGDFZERGBEAJ-WMLDXEAASA-N 0 0 349.352 3.638 10 0 EHAERN CCCn1nc(C(=O)Nc2ccccc2-c2cccs2)ccc1=O ZINC000089960618 564115935 /nfs/dbraw/zinc/11/59/35/564115935.db2.gz AWXRHAKJPPOYOJ-UHFFFAOYSA-N 0 0 339.420 3.634 10 0 EHAERN Cc1cc(=O)oc2ccc(OCCCC(=O)NC3CCCCC3)cc12 ZINC000048534001 564129300 /nfs/dbraw/zinc/12/93/00/564129300.db2.gz QCQROSZKURYRHV-UHFFFAOYSA-N 0 0 343.423 3.709 10 0 EHAERN CCCOCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960325 564177101 /nfs/dbraw/zinc/17/71/01/564177101.db2.gz FKFWIXNAKWYLMH-UHFFFAOYSA-N 0 0 335.444 3.810 10 0 EHAERN CCCCC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961031 564177157 /nfs/dbraw/zinc/17/71/57/564177157.db2.gz AENQOCKCFNCTDT-KRWDZBQOSA-N 0 0 348.487 3.771 10 0 EHAERN CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000001706992 574411477 /nfs/dbraw/zinc/41/14/77/574411477.db2.gz BFZHCUBIASXHPK-HFYYJUFZSA-N 0 0 330.468 3.694 10 0 endogenous,in-man EHAERN CS(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)C(=O)CC2 ZINC000013744786 581100050 /nfs/dbraw/zinc/10/00/50/581100050.db2.gz LWIVKEAWCVURHR-UHFFFAOYSA-N 0 0 339.482 3.612 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc(C2CCCC2)nn1C ZINC000182325308 1032089060 /nfs/dbraw/zinc/08/90/60/1032089060.db2.gz SEBWRGOEJNNYKB-SGTLLEGYSA-N 0 0 325.412 3.581 10 0 EHAERN O=C([O-])c1cc(C[NH2+]Cc2cc(Br)cs2)cs1 ZINC000701849910 977049623 /nfs/dbraw/zinc/04/96/23/977049623.db2.gz NVSYBPQHSURMNN-UHFFFAOYSA-N 0 0 332.244 3.560 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCc3c2cccc3O)cs1 ZINC000275384688 1016654037 /nfs/dbraw/zinc/65/40/37/1016654037.db2.gz ZUJVEGUXNRBCJL-HOCLYGCPSA-N 0 0 343.452 3.691 10 0 EHAERN C[C@H]1CCc2nc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)sc2C1 ZINC000407993666 1016778163 /nfs/dbraw/zinc/77/81/63/1016778163.db2.gz QUNWUMKRLMAAIF-AAEUAGOBSA-N 0 0 345.472 3.750 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCO[C@H]2C2CC2)o1 ZINC000408015011 1016921600 /nfs/dbraw/zinc/92/16/00/1016921600.db2.gz ZBHRIXBNBSUEHU-BQFCYCMXSA-N 0 0 332.444 3.782 10 0 EHAERN C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccncc1 ZINC000184373895 1032287144 /nfs/dbraw/zinc/28/71/44/1032287144.db2.gz UOQQUKWUFQDMSQ-SUMWQHHRSA-N 0 0 345.830 3.579 10 0 EHAERN ClC(Cl)(Cl)CCN1CCn2c(nnc2-c2ccccc2)C1 ZINC000184592440 1032302231 /nfs/dbraw/zinc/30/22/31/1032302231.db2.gz QZKDODUIOILXHI-UHFFFAOYSA-N 0 0 345.661 3.521 10 0 EHAERN CCSCc1cc(C(=O)N2CC=C(c3ccccc3)CC2)no1 ZINC000184747681 1032306890 /nfs/dbraw/zinc/30/68/90/1032306890.db2.gz IQGZXODHMPEIHO-UHFFFAOYSA-N 0 0 328.437 3.857 10 0 EHAERN ClC(Cl)(Cl)CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000184703138 1032319821 /nfs/dbraw/zinc/31/98/21/1032319821.db2.gz FTTPCJQSWJQZHP-JTQLQIEISA-N 0 0 337.682 3.622 10 0 EHAERN C[C@@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C)C1CCOCC1 ZINC000246361416 1017727112 /nfs/dbraw/zinc/72/71/12/1017727112.db2.gz KCXYAHZWIPHSFO-SNUQEOBHSA-N 0 0 334.435 3.563 10 0 EHAERN Cc1cccc2ncnc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)c12 ZINC000275680164 1018090562 /nfs/dbraw/zinc/09/05/62/1018090562.db2.gz QBTAOAXTBJORIF-KRWDZBQOSA-N 0 0 333.439 3.882 10 0 EHAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CC2(CC2)c2ccccc21 ZINC000080740958 1018219395 /nfs/dbraw/zinc/21/93/95/1018219395.db2.gz IPYLSKWNAOLBLR-AEFFLSMTSA-N 0 0 336.439 3.628 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000152272801 1018342189 /nfs/dbraw/zinc/34/21/89/1018342189.db2.gz DBADSGLCGHSQJG-GMBSWORKSA-N 0 0 334.435 3.532 10 0 EHAERN CCn1ncc2ccc(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc21 ZINC000333225849 1018909652 /nfs/dbraw/zinc/90/96/52/1018909652.db2.gz NBPXUEKJICIOJD-JJUQKUTHSA-N 0 0 338.455 3.956 10 0 EHAERN C[C@H]1OCCN(C[C@H]2CCCCC2(F)F)[C@@H]1c1nc(C2CC2)no1 ZINC000408459065 1018911812 /nfs/dbraw/zinc/91/18/12/1018911812.db2.gz WRFYKCDQLWJZAE-BNOWGMLFSA-N 0 0 341.402 3.534 10 0 EHAERN O=C(N[C@@H]1CC12CCCCC2)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333270790 1019010665 /nfs/dbraw/zinc/01/06/65/1019010665.db2.gz VZHDZWJADCRCKN-IJEWVQPXSA-N 0 0 334.485 3.990 10 0 EHAERN Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)sc1C ZINC000333308104 1019071847 /nfs/dbraw/zinc/07/18/47/1019071847.db2.gz UVSYCTABJSJUNC-SSDOTTSWSA-N 0 0 336.891 3.514 10 0 EHAERN O=C1CC[C@@H](NCc2nc(-c3cccc(Cl)c3)no2)C2(CCC2)N1 ZINC000328721375 1019227134 /nfs/dbraw/zinc/22/71/34/1019227134.db2.gz WURSYUZRBCSLKZ-CYBMUJFWSA-N 0 0 346.818 3.521 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000588399480 1020484333 /nfs/dbraw/zinc/48/43/33/1020484333.db2.gz KFLJUHYPJXUOJC-PTNGSMBKSA-N 0 0 343.448 3.749 10 0 EHAERN Cc1onc(-c2cccnc2)c1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333545569 1020637246 /nfs/dbraw/zinc/63/72/46/1020637246.db2.gz STRIOBVFJMJRBS-XXLXZOJFSA-N 0 0 337.423 3.553 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@H]1COCc2ccccc21 ZINC000333924678 1021507032 /nfs/dbraw/zinc/50/70/32/1021507032.db2.gz TWQVIVLBKILJCW-PIMMBPRGSA-N 0 0 342.361 3.678 10 0 EHAERN CC1(C)CN(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)[C@H]2CCC[C@H]21 ZINC000333940653 1021516596 /nfs/dbraw/zinc/51/65/96/1021516596.db2.gz OGBAQWIYRIWOLJ-IKGGRYGDSA-N 0 0 341.455 3.680 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000248001960 1021846515 /nfs/dbraw/zinc/84/65/15/1021846515.db2.gz KLWFSBZTGOIACY-TWOQFEAHSA-N 0 0 341.455 3.733 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C ZINC000333781770 1022135961 /nfs/dbraw/zinc/13/59/61/1022135961.db2.gz VKRBWGGMUSAWRT-LSTHTHJFSA-N 0 0 344.499 3.947 10 0 EHAERN Clc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000333814615 1022174632 /nfs/dbraw/zinc/17/46/32/1022174632.db2.gz IQTMMDWAFBHOIJ-JONQDZQNSA-N 0 0 345.830 3.530 10 0 EHAERN CC[C@@H](CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588434765 1022190577 /nfs/dbraw/zinc/19/05/77/1022190577.db2.gz XYCLKJHTQJBXLB-YDZSZYSISA-N 0 0 346.471 3.767 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127748740 1022393284 /nfs/dbraw/zinc/39/32/84/1022393284.db2.gz OZWUUQNDSSVIFQ-GUYCJALGSA-N 0 0 348.493 3.639 10 0 EHAERN CCOc1cc2c(cc1/C=C\C(=O)N(CC)CC(F)F)O[C@@H](C)C2 ZINC000588441819 1022465705 /nfs/dbraw/zinc/46/57/05/1022465705.db2.gz YUBNJBXTWOPZDC-DGMVEKRQSA-N 0 0 339.382 3.536 10 0 EHAERN Cc1csc([C@@H]2CCCCN2C(=O)c2cccc3cn[nH]c32)n1 ZINC000328817935 1022494930 /nfs/dbraw/zinc/49/49/30/1022494930.db2.gz DHQIKDRNNNSXFO-AWEZNQCLSA-N 0 0 326.425 3.695 10 0 EHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@@H]2CCCCNC2=O)s1 ZINC000328875621 1022524091 /nfs/dbraw/zinc/52/40/91/1022524091.db2.gz SERCEBGTJOWPAC-OLZOCXBDSA-N 0 0 337.489 3.680 10 0 EHAERN CCc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000101737534 1022687486 /nfs/dbraw/zinc/68/74/86/1022687486.db2.gz DKGZEHXJDBKTQY-HNNXBMFYSA-N 0 0 345.487 3.654 10 0 EHAERN Cc1cccnc1/C=C\C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000588452084 1023022044 /nfs/dbraw/zinc/02/20/44/1023022044.db2.gz AVBSNBWUYNVIGP-HJWRWDBZSA-N 0 0 330.815 3.594 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(F)cc1Br ZINC000588452513 1023024795 /nfs/dbraw/zinc/02/47/95/1023024795.db2.gz PCOIJOJDFVCCIB-SREVYHEPSA-N 0 0 349.203 3.621 10 0 EHAERN Clc1ccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000333744771 1023189214 /nfs/dbraw/zinc/18/92/14/1023189214.db2.gz YDDFBGJAZDTXDG-QKPAOTATSA-N 0 0 345.830 3.530 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000180621600 1023296690 /nfs/dbraw/zinc/29/66/90/1023296690.db2.gz RBZBWFFBWTYVHR-NWDGAFQWSA-N 0 0 349.504 3.638 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638206 1023956478 /nfs/dbraw/zinc/95/64/78/1023956478.db2.gz YTBXSHMTHOHTRY-GJRWTSMGSA-N 0 0 333.476 3.925 10 0 EHAERN CC1(C)CCCC[C@H]1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000134619006 1024149021 /nfs/dbraw/zinc/14/90/21/1024149021.db2.gz GSXUDNKSIGECDE-LSDHHAIUSA-N 0 0 332.469 3.575 10 0 EHAERN C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329742016 1024171792 /nfs/dbraw/zinc/17/17/92/1024171792.db2.gz WGICTOOXYPXUAH-OAGGEKHMSA-N 0 0 346.475 3.759 10 0 EHAERN Cc1ccn2c(c1)ncc(-c1nc(C3C[C@@H](C)C[C@H](C)C3)no1)c2=O ZINC000329748448 1024173959 /nfs/dbraw/zinc/17/39/59/1024173959.db2.gz ZZCTVRYIVIJYCT-STQMWFEESA-N 0 0 338.411 3.593 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H]1CC(C)(C)C ZINC000153648927 1024233125 /nfs/dbraw/zinc/23/31/25/1024233125.db2.gz VUJVGBHHWYUVAZ-LSDHHAIUSA-N 0 0 347.507 3.847 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCc3c(O)cccc32)cs1 ZINC000330022396 1024291595 /nfs/dbraw/zinc/29/15/95/1024291595.db2.gz ZLQZECWQJOHPKM-WBVHZDCISA-N 0 0 342.464 3.941 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCc3c(O)cccc32)cs1 ZINC000330022395 1024291870 /nfs/dbraw/zinc/29/18/70/1024291870.db2.gz ZLQZECWQJOHPKM-RDJZCZTQSA-N 0 0 342.464 3.941 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000103249633 1024382537 /nfs/dbraw/zinc/38/25/37/1024382537.db2.gz FBNOADJIIHKCLC-AEFFLSMTSA-N 0 0 345.487 3.871 10 0 EHAERN CC[C@@H]1CCc2nc(NC(=O)N(C)[C@H](C)c3cnn(C)c3)sc2C1 ZINC000194491002 1024418713 /nfs/dbraw/zinc/41/87/13/1024418713.db2.gz KWBUGLFYTGZSHO-VXGBXAGGSA-N 0 0 347.488 3.616 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)NNc1c(F)cccc1Cl ZINC000588489500 1024554309 /nfs/dbraw/zinc/55/43/09/1024554309.db2.gz YBKMFWIFRZZKMU-HJWRWDBZSA-N 0 0 344.770 3.535 10 0 EHAERN COc1ccc(F)c(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000151897016 1024907612 /nfs/dbraw/zinc/90/76/12/1024907612.db2.gz DNEVHWKUWPLQLW-UHFFFAOYSA-N 0 0 349.431 3.686 10 0 EHAERN CC1(C)C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c2ccccc2O1 ZINC000121521123 1025481488 /nfs/dbraw/zinc/48/14/88/1025481488.db2.gz CBQSPVJFHYHLKC-MYSGWJLTSA-N 0 0 341.451 3.800 10 0 EHAERN C[C@@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000102901724 1025540992 /nfs/dbraw/zinc/54/09/92/1025540992.db2.gz ZASWDYVXPRFHLI-ZYHUDNBSSA-N 0 0 331.243 3.875 10 0 EHAERN Cc1cnn([C@H]2CCCN([C@H](C)c3nnc(-c4cccs4)o3)C2)c1 ZINC000329159274 1025634122 /nfs/dbraw/zinc/63/41/22/1025634122.db2.gz XMSUAMLXHNZEOL-KGLIPLIRSA-N 0 0 343.456 3.701 10 0 EHAERN COc1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1-c1ccccn1 ZINC000121671406 1025636548 /nfs/dbraw/zinc/63/65/48/1025636548.db2.gz UBQOLFQKDXWDRU-AWEZNQCLSA-N 0 0 333.391 3.643 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1csc(-c2ccsc2)n1 ZINC000121765650 1025764319 /nfs/dbraw/zinc/76/43/19/1025764319.db2.gz GURBNDYYZCMGDK-OCCSQVGLSA-N 0 0 334.466 3.559 10 0 EHAERN C[C@@H]1CCC[C@H]1c1nc(-c2ccc(CN3CCCC3=O)cc2)no1 ZINC000329547714 1025982162 /nfs/dbraw/zinc/98/21/62/1025982162.db2.gz BBSKXTKHDHDFCV-CZUORRHYSA-N 0 0 325.412 3.763 10 0 EHAERN O=C(NCc1cc(F)cc(Br)c1)[C@@H]1C[C@@H]1c1ccco1 ZINC000121962049 1026063950 /nfs/dbraw/zinc/06/39/50/1026063950.db2.gz MEJZKTFZCXMFHM-QWHCGFSZSA-N 0 0 338.176 3.601 10 0 EHAERN COc1ccc(C2(NC(=O)NCc3cccc(C)n3)CCCC2)cc1 ZINC000103308722 1026075296 /nfs/dbraw/zinc/07/52/96/1026075296.db2.gz JAHGPWNXVCCZMN-UHFFFAOYSA-N 0 0 339.439 3.667 10 0 EHAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000329623651 1026097369 /nfs/dbraw/zinc/09/73/69/1026097369.db2.gz HONAQPLNQUNKHA-IIAWOOMASA-N 0 0 331.460 3.869 10 0 EHAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@@H](C)c2cc(C)oc2C)C1 ZINC000152562004 1026340611 /nfs/dbraw/zinc/34/06/11/1026340611.db2.gz BLXQBWMQZCGPNR-HOCLYGCPSA-N 0 0 344.459 3.763 10 0 EHAERN Cc1cc(F)cc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000152791724 1026722420 /nfs/dbraw/zinc/72/24/20/1026722420.db2.gz UBYBZOGITCHSMZ-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN CC1(CC(=O)N2CCCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000123234777 1027069898 /nfs/dbraw/zinc/06/98/98/1027069898.db2.gz YWNKWUWHZMKTHZ-UHFFFAOYSA-N 0 0 348.512 3.783 10 0 EHAERN Cc1noc(C)c1CSCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000044670996 1027219984 /nfs/dbraw/zinc/21/99/84/1027219984.db2.gz VYDMUUFBRZMARM-UHFFFAOYSA-N 0 0 342.464 3.841 10 0 EHAERN CCOc1cccc(NC(=O)N(C)CCc2ccccc2OC)c1 ZINC000105009299 1027496350 /nfs/dbraw/zinc/49/63/50/1027496350.db2.gz DDQFWYGUVRVPJE-UHFFFAOYSA-N 0 0 328.412 3.800 10 0 EHAERN CCCCc1nc(CN2CCC(Nc3ccccc3F)CC2)no1 ZINC000129074099 1027518671 /nfs/dbraw/zinc/51/86/71/1027518671.db2.gz UKQCRRKOLYQWGG-UHFFFAOYSA-N 0 0 332.423 3.628 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000129391765 1027549789 /nfs/dbraw/zinc/54/97/89/1027549789.db2.gz VBZBWAJQXLLVDD-UHFFFAOYSA-N 0 0 346.456 3.712 10 0 EHAERN COC(=O)c1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000102136788 1027663748 /nfs/dbraw/zinc/66/37/48/1027663748.db2.gz KNYCJVZHMJXPFE-UONOGXRCSA-N 0 0 328.364 3.545 10 0 EHAERN COc1cc(F)c(C(=O)N2CC=C(c3cccs3)CC2)cc1OC ZINC000131134915 1027742294 /nfs/dbraw/zinc/74/22/94/1027742294.db2.gz QXYNYRGVYWMCLL-UHFFFAOYSA-N 0 0 347.411 3.834 10 0 EHAERN COCc1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000131314423 1027764427 /nfs/dbraw/zinc/76/44/27/1027764427.db2.gz WJRPLYJLAMMUMA-UHFFFAOYSA-N 0 0 345.468 3.685 10 0 EHAERN COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1O ZINC000246131770 1027796223 /nfs/dbraw/zinc/79/62/23/1027796223.db2.gz KUYVFJVYQSWJAP-QZTJIDSGSA-N 0 0 345.414 3.628 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cnccc1OC(C)(C)C ZINC000131820530 1027824711 /nfs/dbraw/zinc/82/47/11/1027824711.db2.gz VJEQGJOOLWRRNT-PXAZEXFGSA-N 0 0 326.396 3.762 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c2ccccc21 ZINC000246712367 1027890280 /nfs/dbraw/zinc/89/02/80/1027890280.db2.gz YABDXCVDWGOJRA-SPYBWZPUSA-N 0 0 338.455 3.558 10 0 EHAERN O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246179551 1027891919 /nfs/dbraw/zinc/89/19/19/1027891919.db2.gz DAVKBPWKGGFWTF-DFKRKDTASA-N 0 0 340.345 3.573 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)C[C@H]2c3ccccc3NC2=O)cc1 ZINC000132746221 1027959752 /nfs/dbraw/zinc/95/97/52/1027959752.db2.gz YEOPYGWRRWPZSN-INIZCTEOSA-N 0 0 338.407 3.928 10 0 EHAERN CC(C)Sc1ccccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246202945 1027968927 /nfs/dbraw/zinc/96/89/27/1027968927.db2.gz USKXVABKKKAGBW-USXIJHARSA-N 0 0 331.481 3.875 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4c(ccc(C)c4C)[nH]3)CCO2)o1 ZINC000133495629 1028038959 /nfs/dbraw/zinc/03/89/59/1028038959.db2.gz FARSQEPVZDMSFI-LJQANCHMSA-N 0 0 338.407 3.900 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)CCO2)o1 ZINC000133653215 1028050528 /nfs/dbraw/zinc/05/05/28/1028050528.db2.gz MORNVTQRGIOETR-SIIHOXLZSA-N 0 0 347.361 3.570 10 0 EHAERN C[C@H]1CCN(Cc2coc(-c3cccs3)n2)C[C@H]1n1ccnc1 ZINC000246273427 1028134746 /nfs/dbraw/zinc/13/47/46/1028134746.db2.gz MSRDVEMFPSLOKM-DZGCQCFKSA-N 0 0 328.441 3.683 10 0 EHAERN COc1cc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)ccc1F ZINC000153548946 1028157872 /nfs/dbraw/zinc/15/78/72/1028157872.db2.gz QKLOIKAFZQNBDL-XIKOKIGWSA-N 0 0 340.402 3.701 10 0 EHAERN C[C@](O)(CC(=O)N1CC=C(c2ccccc2F)CC1)c1ccccc1 ZINC000137333423 1028308720 /nfs/dbraw/zinc/30/87/20/1028308720.db2.gz VHEMFFHQYFDIOY-NRFANRHFSA-N 0 0 339.410 3.739 10 0 EHAERN NC(=O)c1ccc(NCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000072911176 1028526496 /nfs/dbraw/zinc/52/64/96/1028526496.db2.gz OTHNIYMMIIQLSK-UHFFFAOYSA-N 0 0 327.771 3.706 10 0 EHAERN Fc1ccccc1-n1cc(N[C@H](c2cccs2)c2ncc[nH]2)cn1 ZINC000195100478 1028577538 /nfs/dbraw/zinc/57/75/38/1028577538.db2.gz JHTQSRFZBQBEFV-MRXNPFEDSA-N 0 0 339.399 3.998 10 0 EHAERN CN1CCOc2ccc(N[C@@H](c3cccs3)c3ncc[nH]3)cc21 ZINC000195109785 1028581294 /nfs/dbraw/zinc/58/12/94/1028581294.db2.gz HJVHXCFBLVRKSY-INIZCTEOSA-N 0 0 326.425 3.501 10 0 EHAERN C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246474757 1028599201 /nfs/dbraw/zinc/59/92/01/1028599201.db2.gz GDWNIVXUDDGGFM-CSMYWGQOSA-N 0 0 345.418 3.735 10 0 EHAERN CCc1ccc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195352159 1028634415 /nfs/dbraw/zinc/63/44/15/1028634415.db2.gz RXPCIFRRBDGHJK-OAHLLOKOSA-N 0 0 329.469 3.524 10 0 EHAERN Cc1noc2ncnc(N3CCC(Oc4ccc(C)c(C)c4)CC3)c12 ZINC000195509557 1028634772 /nfs/dbraw/zinc/63/47/72/1028634772.db2.gz ZJVIRGLLIXVENW-UHFFFAOYSA-N 0 0 338.411 3.591 10 0 EHAERN O=C(CN1CCC[C@H](c2nccs2)C1)Nc1ccc(Cl)cc1 ZINC000195351623 1028635671 /nfs/dbraw/zinc/63/56/71/1028635671.db2.gz ZWFWOPZEFUIJQE-LBPRGKRZSA-N 0 0 335.860 3.615 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2ccc(SC(F)F)cc2)[C@H]2CCO[C@H]21 ZINC000246712331 1028679793 /nfs/dbraw/zinc/67/97/93/1028679793.db2.gz CRSNLYIBJYICEU-JHJVBQTASA-N 0 0 342.411 3.936 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H]2CCO[C@H]21 ZINC000246927358 1028747973 /nfs/dbraw/zinc/74/79/73/1028747973.db2.gz YSVFSASPXRXYOO-RRFJBIMHSA-N 0 0 341.373 3.725 10 0 EHAERN CSc1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000247203001 1028756806 /nfs/dbraw/zinc/75/68/06/1028756806.db2.gz YPVISAHAXAURNE-DAXOMENPSA-N 0 0 332.469 3.878 10 0 EHAERN Cc1ccc([C@H]2CN([C@H](C)C(=O)Nc3c(C)cccc3C)CCO2)o1 ZINC000247220718 1028759220 /nfs/dbraw/zinc/75/92/20/1028759220.db2.gz ZBUJLJNFHANCCB-SJLPKXTDSA-N 0 0 342.439 3.605 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Cl)c2cccnc12 ZINC000247288994 1028771193 /nfs/dbraw/zinc/77/11/93/1028771193.db2.gz HJADCCJKUJMYJT-APHBMKBZSA-N 0 0 330.815 3.576 10 0 EHAERN CCCCC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)C(C)C ZINC000247656285 1028807865 /nfs/dbraw/zinc/80/78/65/1028807865.db2.gz OTRLZDNIPANEDB-YTQUADARSA-N 0 0 348.531 3.841 10 0 EHAERN O=C(CCCOc1ccccc1Cl)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247677633 1028808845 /nfs/dbraw/zinc/80/88/45/1028808845.db2.gz ZHRSNYUUDDHFCC-NUEKZKHPSA-N 0 0 337.847 3.573 10 0 EHAERN C[C@@H]1C[C@H](C(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000248517381 1028883628 /nfs/dbraw/zinc/88/36/28/1028883628.db2.gz AJIBAGTWKLEZNE-SOLBZPMBSA-N 0 0 337.504 3.635 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248633654 1028930421 /nfs/dbraw/zinc/93/04/21/1028930421.db2.gz JAJBYKNRZHZXPL-WTANOLMUSA-N 0 0 346.446 3.562 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCCC[C@H]1CCCCO1 ZINC000248711554 1028940183 /nfs/dbraw/zinc/94/01/83/1028940183.db2.gz CIWNPJNQWDYVNG-NZSAHSFTSA-N 0 0 330.472 3.923 10 0 EHAERN O=C(Nc1ccsc1Cl)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248952301 1028969189 /nfs/dbraw/zinc/96/91/89/1028969189.db2.gz AFDAGNXCZSYODW-YUSALJHKSA-N 0 0 326.849 3.871 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000249094003 1028984625 /nfs/dbraw/zinc/98/46/25/1028984625.db2.gz FBYZKARFPYATMJ-RRFJBIMHSA-N 0 0 336.382 3.877 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000249048733 1029130856 /nfs/dbraw/zinc/13/08/56/1029130856.db2.gz FRKGJEGUYLGUDZ-ILXRZTDVSA-N 0 0 333.480 3.504 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1c(Cl)ccc(Cl)c1Cl ZINC000252017736 1029173202 /nfs/dbraw/zinc/17/32/02/1029173202.db2.gz YIWYKCMOBQZIJD-XROYCOCOSA-N 0 0 334.630 3.944 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3cncc(F)c3)C2)cc1 ZINC000078187013 1029239876 /nfs/dbraw/zinc/23/98/76/1029239876.db2.gz VSYWFFGNNAKVBG-TTXHZVRDSA-N 0 0 340.398 3.647 10 0 EHAERN CCc1nc(C2(NC(=O)c3ccc4c(c3)N=S=N4)CCCC2)no1 ZINC000271944425 1029240499 /nfs/dbraw/zinc/24/04/99/1029240499.db2.gz PPGIEIZWXAEZTL-UHFFFAOYSA-N 0 0 343.412 3.558 10 0 EHAERN Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248454146 1029333258 /nfs/dbraw/zinc/33/32/58/1029333258.db2.gz ZJODAXSZLOUONI-FPMFFAJLSA-N 0 0 342.468 3.559 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245850546 1029380363 /nfs/dbraw/zinc/38/03/63/1029380363.db2.gz MGYBRDCEDHCCQT-GGPKGHCWSA-N 0 0 339.483 3.952 10 0 EHAERN CCCn1c(C)nnc1CN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000245904393 1029453785 /nfs/dbraw/zinc/45/37/85/1029453785.db2.gz UMVAEPAGLQWPSC-KSSFIOAISA-N 0 0 330.501 3.675 10 0 EHAERN O=C(c1cccnc1Cl)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089623661 1029955687 /nfs/dbraw/zinc/95/56/87/1029955687.db2.gz VGRZCUDJGLJLAT-ZDUSSCGKSA-N 0 0 337.206 3.682 10 0 EHAERN Cc1csc(C2CCN(CC(=O)Nc3ccccc3C)CC2)n1 ZINC000156755246 1030000135 /nfs/dbraw/zinc/00/01/35/1030000135.db2.gz MIXHQCKHJDNMOG-UHFFFAOYSA-N 0 0 329.469 3.578 10 0 EHAERN CSc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000156772282 1030008589 /nfs/dbraw/zinc/00/85/89/1030008589.db2.gz RJQXJWLQZNRXMX-UHFFFAOYSA-N 0 0 344.484 3.629 10 0 EHAERN CCCc1ccccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156865305 1030082311 /nfs/dbraw/zinc/08/23/11/1030082311.db2.gz NQLCLLLGTGJBKB-UHFFFAOYSA-N 0 0 340.471 3.859 10 0 EHAERN COc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000092105434 1030386319 /nfs/dbraw/zinc/38/63/19/1030386319.db2.gz NQKVWWASKMFTPF-LLVKDONJSA-N 0 0 335.404 3.702 10 0 EHAERN O=C(Cc1cccs1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000169944057 1030681577 /nfs/dbraw/zinc/68/15/77/1030681577.db2.gz WNQYMSITBWIHOT-SFHVURJKSA-N 0 0 326.396 3.731 10 0 EHAERN Cc1ccccc1C1(C(=O)N2CCC(Cc3ccccn3)CC2)CC1 ZINC000171614967 1030767099 /nfs/dbraw/zinc/76/70/99/1030767099.db2.gz ZILRTRDRWIHRIP-UHFFFAOYSA-N 0 0 334.463 3.903 10 0 EHAERN CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000171640606 1030770298 /nfs/dbraw/zinc/77/02/98/1030770298.db2.gz RXPKGLSYCKKHTN-NSHDSACASA-N 0 0 335.498 3.917 10 0 EHAERN C[C@H](c1ccccc1F)[S@@](=O)Cc1nc(-c2ccsc2)no1 ZINC000171497775 1030785208 /nfs/dbraw/zinc/78/52/08/1030785208.db2.gz IEJDGYTZTYOXSQ-STFLBKPXSA-N 0 0 336.413 3.947 10 0 EHAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171613976 1030800859 /nfs/dbraw/zinc/80/08/59/1030800859.db2.gz LZTWRXGSZKCKFP-INIZCTEOSA-N 0 0 340.442 3.881 10 0 EHAERN O=C(c1cc(F)c(F)c(F)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171613832 1030801309 /nfs/dbraw/zinc/80/13/09/1030801309.db2.gz FEXLOTFGWPCBJN-UHFFFAOYSA-N 0 0 334.341 3.594 10 0 EHAERN O=C(Cc1cnn(-c2ccccc2)c1)N1CC=C(c2cccs2)CC1 ZINC000172092740 1030831641 /nfs/dbraw/zinc/83/16/41/1030831641.db2.gz JLOIQWGLYQXZFE-UHFFFAOYSA-N 0 0 349.459 3.792 10 0 EHAERN C[C@](O)(CNC(=O)/C=C\c1ccnc2ccccc12)C1CCCCC1 ZINC000588583234 1030838546 /nfs/dbraw/zinc/83/85/46/1030838546.db2.gz AIADZHZUNFZPMH-GMGKOPGTSA-N 0 0 338.451 3.696 10 0 EHAERN C[C@@H](Cc1ccccc1F)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000172348128 1030868253 /nfs/dbraw/zinc/86/82/53/1030868253.db2.gz BRLAGLCVXBSTQA-ZFWWWQNUSA-N 0 0 332.444 3.867 10 0 EHAERN C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000172348141 1030869319 /nfs/dbraw/zinc/86/93/19/1030869319.db2.gz BRLAGLCVXBSTQA-UKRRQHHQSA-N 0 0 332.444 3.867 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H](C)CC3CCCC3)CC2)nc1 ZINC000157912667 1030963714 /nfs/dbraw/zinc/96/37/14/1030963714.db2.gz RGRACDKWCWCZQP-INIZCTEOSA-N 0 0 329.488 3.691 10 0 EHAERN CC[C@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000172570614 1030972473 /nfs/dbraw/zinc/97/24/73/1030972473.db2.gz IIEVFVSFMCRJRE-GOEBONIOSA-N 0 0 348.512 3.685 10 0 EHAERN c1csc([C@@H]2CCCN(Cc3noc(C4CCCCC4)n3)C2)n1 ZINC000157963193 1030973562 /nfs/dbraw/zinc/97/35/62/1030973562.db2.gz XLZOKKDLOYFDLS-CQSZACIVSA-N 0 0 332.473 3.953 10 0 EHAERN CCC(CC)(CC)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172732538 1030987354 /nfs/dbraw/zinc/98/73/54/1030987354.db2.gz CHKKMWNDVRDBLM-UHFFFAOYSA-N 0 0 336.501 3.685 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000172890058 1031027692 /nfs/dbraw/zinc/02/76/92/1031027692.db2.gz TUTPILLTGOKSAW-DZGCQCFKSA-N 0 0 341.317 3.757 10 0 EHAERN CC(C)Cn1ccnc1CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000173450545 1031090096 /nfs/dbraw/zinc/09/00/96/1031090096.db2.gz LWENIWFAVALVAD-UHFFFAOYSA-N 0 0 338.455 3.538 10 0 EHAERN O=C(CC[C@H]1CCCCO1)N1CCC(Nc2ccccc2F)CC1 ZINC000174065989 1031159973 /nfs/dbraw/zinc/15/99/73/1031159973.db2.gz LNLRHKXSMAYTFA-MRXNPFEDSA-N 0 0 334.435 3.578 10 0 EHAERN Cc1ccc(OCC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174081690 1031164653 /nfs/dbraw/zinc/16/46/53/1031164653.db2.gz GZDVNZKQWMIIAI-UHFFFAOYSA-N 0 0 342.414 3.616 10 0 EHAERN O=C(c1ncncc1Cl)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000175167308 1031308475 /nfs/dbraw/zinc/30/84/75/1031308475.db2.gz HVIYHOUFZSEFLZ-GFCCVEGCSA-N 0 0 336.222 3.631 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000175430776 1031334158 /nfs/dbraw/zinc/33/41/58/1031334158.db2.gz ZKNSZYGUMXPPDW-SJORKVTESA-N 0 0 342.483 3.812 10 0 EHAERN O=C(Nc1ccc(Cl)nc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175501263 1031341859 /nfs/dbraw/zinc/34/18/59/1031341859.db2.gz GDHRKKMWJVYOLH-UHFFFAOYSA-N 0 0 348.809 3.983 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000175914079 1031366990 /nfs/dbraw/zinc/36/69/90/1031366990.db2.gz RXSLCXNMUUVEFD-BFUOFWGJSA-N 0 0 347.374 3.772 10 0 EHAERN CS[C@@H]1CCC[C@@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176624896 1031467118 /nfs/dbraw/zinc/46/71/18/1031467118.db2.gz BRZNQERBEOPWAQ-ZIAGYGMSSA-N 0 0 331.485 3.594 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000116930236 1031476339 /nfs/dbraw/zinc/47/63/39/1031476339.db2.gz COQIQINHSRJXLW-UHFFFAOYSA-N 0 0 344.846 3.834 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000248329091 1031516956 /nfs/dbraw/zinc/51/69/56/1031516956.db2.gz DBFCISRVIBDSKK-IOASZLSFSA-N 0 0 346.496 3.821 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000248329092 1031517115 /nfs/dbraw/zinc/51/71/15/1031517115.db2.gz DBFCISRVIBDSKK-WWGRRREGSA-N 0 0 346.496 3.821 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000117057325 1031547045 /nfs/dbraw/zinc/54/70/45/1031547045.db2.gz UXNNIXRJXJWBJS-YJBOKZPZSA-N 0 0 344.503 3.579 10 0 EHAERN CC[C@H]1CN(C(=O)c2ncncc2Cl)CC[C@H]1c1ccccc1 ZINC000177685265 1031586591 /nfs/dbraw/zinc/58/65/91/1031586591.db2.gz YPOUOAPOSILRGD-DZGCQCFKSA-N 0 0 329.831 3.786 10 0 EHAERN CCCOc1ccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000178178009 1031637854 /nfs/dbraw/zinc/63/78/54/1031637854.db2.gz SLDANZVRKFMGEV-YPZZQQJBSA-N 0 0 329.440 3.516 10 0 EHAERN Nc1cccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1 ZINC000178719177 1031698283 /nfs/dbraw/zinc/69/82/83/1031698283.db2.gz CSQNTDKXPWFASG-UHFFFAOYSA-N 0 0 332.407 3.721 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCC(C)(C)C3)CC2)n1 ZINC000178930000 1031722184 /nfs/dbraw/zinc/72/21/84/1031722184.db2.gz CXYCJEZWHAZFSN-MRXNPFEDSA-N 0 0 329.488 3.691 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)c2ccccc2)[nH]1 ZINC000178854443 1031735500 /nfs/dbraw/zinc/73/55/00/1031735500.db2.gz PHORZEICLWBFHU-HZPDHXFCSA-N 0 0 326.444 3.535 10 0 EHAERN CCc1nc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)sc1C ZINC000179409996 1031749103 /nfs/dbraw/zinc/74/91/03/1031749103.db2.gz JDLABUVSCIGCNB-CQSZACIVSA-N 0 0 335.429 3.521 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(C)cc3)CCO2)o1 ZINC000179121785 1031751531 /nfs/dbraw/zinc/75/15/31/1031751531.db2.gz URNLWIDOSKWFMD-QAPCUYQASA-N 0 0 328.412 3.741 10 0 EHAERN CC(C)COC1CCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179504816 1031782343 /nfs/dbraw/zinc/78/23/43/1031782343.db2.gz BSHHCVZYTOVSNC-UHFFFAOYSA-N 0 0 342.443 3.746 10 0 EHAERN COc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)NC(=O)CC3)CCCO2 ZINC000179891196 1031815159 /nfs/dbraw/zinc/81/51/59/1031815159.db2.gz AWUWMKXVZOZHNF-KRWDZBQOSA-N 0 0 338.407 3.906 10 0 EHAERN O=C(C[C@@H]1CCOc2ccccc21)Nc1cccc(-c2ncon2)c1 ZINC000117778955 1031852910 /nfs/dbraw/zinc/85/29/10/1031852910.db2.gz CZPCTZBPXJTXDL-ZDUSSCGKSA-N 0 0 335.363 3.632 10 0 EHAERN CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000180444071 1031856897 /nfs/dbraw/zinc/85/68/97/1031856897.db2.gz MATQHRBIQMNUNV-NVXWUHKLSA-N 0 0 342.443 3.757 10 0 EHAERN CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccn1 ZINC000180250753 1031870344 /nfs/dbraw/zinc/87/03/44/1031870344.db2.gz FVGKTDLEXGGLKJ-HIFRSBDPSA-N 0 0 345.468 3.735 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccccc1OC(F)(F)F ZINC000180234843 1031871271 /nfs/dbraw/zinc/87/12/71/1031871271.db2.gz KFUXGRCRSJIRPD-UHFFFAOYSA-N 0 0 349.268 3.888 10 0 EHAERN O=C(c1ccc2c(c1)CCC(=O)N2)N1CC=C(c2cccs2)CC1 ZINC000117856575 1031911326 /nfs/dbraw/zinc/91/13/26/1031911326.db2.gz ZKNGCDBAFJGPHE-UHFFFAOYSA-N 0 0 338.432 3.562 10 0 EHAERN C[C@@H]1C[C@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000180981795 1031933024 /nfs/dbraw/zinc/93/30/24/1031933024.db2.gz AJIBAGTWKLEZNE-RYRKJORJSA-N 0 0 337.504 3.635 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)C(C)(C)C3CCCC3)CC2)nc1 ZINC000181198151 1031951363 /nfs/dbraw/zinc/95/13/63/1031951363.db2.gz USQVNEBHFSCEQD-UHFFFAOYSA-N 0 0 330.472 3.976 10 0 EHAERN COCc1cccc(CNC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117960520 1031985400 /nfs/dbraw/zinc/98/54/00/1031985400.db2.gz XLNOAQQEWYFCRE-UHFFFAOYSA-N 0 0 342.464 3.893 10 0 EHAERN Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c(Cl)n1 ZINC000181929122 1032046486 /nfs/dbraw/zinc/04/64/86/1032046486.db2.gz MKLXCUWTLBKKKD-OAHLLOKOSA-N 0 0 329.831 3.678 10 0 EHAERN O=C(COc1ccc(F)c(Cl)c1)Nc1cccc(-c2ncon2)c1 ZINC000101525468 1033739783 /nfs/dbraw/zinc/73/97/83/1033739783.db2.gz XHZYKJFODAGYSU-UHFFFAOYSA-N 0 0 347.733 3.547 10 0 EHAERN CCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000101526160 1033749421 /nfs/dbraw/zinc/74/94/21/1033749421.db2.gz JCNMQQZJIANZMF-UHFFFAOYSA-N 0 0 349.390 3.901 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N([C@@H](C)C(C)C)C3CC3)CC2)nc1 ZINC000086403681 1034077565 /nfs/dbraw/zinc/07/75/65/1034077565.db2.gz OYPDFXPIXSSWDN-INIZCTEOSA-N 0 0 344.503 3.577 10 0 EHAERN CNc1snc(C)c1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000121223660 1034569890 /nfs/dbraw/zinc/56/98/90/1034569890.db2.gz TUSQHGNEDXKFIY-RISCZKNCSA-N 0 0 345.468 3.520 10 0 EHAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccsc2)C1 ZINC000121335666 1034835766 /nfs/dbraw/zinc/83/57/66/1034835766.db2.gz GCWZSTSAIVIXSW-CABCVRRESA-N 0 0 344.436 3.559 10 0 EHAERN C[C@]1(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)CC1(Cl)Cl ZINC000186179553 1035597315 /nfs/dbraw/zinc/59/73/15/1035597315.db2.gz ZVGUVCIKBDPXQV-YMTOWFKASA-N 0 0 334.193 3.865 10 0 EHAERN COC(=O)[C@]1(C)CCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000186321972 1035615413 /nfs/dbraw/zinc/61/54/13/1035615413.db2.gz BDQMLPGZURAEMK-KRWDZBQOSA-N 0 0 334.803 3.523 10 0 EHAERN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCN(c2ccccn2)CC1 ZINC000186401210 1035625577 /nfs/dbraw/zinc/62/55/77/1035625577.db2.gz KPXMXKWUKOXVOD-IPMKNSEASA-N 0 0 341.499 3.727 10 0 EHAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC=C(c2ccccc2F)CC1 ZINC000186389004 1035651507 /nfs/dbraw/zinc/65/15/07/1035651507.db2.gz GVKNDRDIXIGOGZ-UHFFFAOYSA-N 0 0 348.381 3.540 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc([S@@](C)=O)cc1 ZINC000186554042 1035658474 /nfs/dbraw/zinc/65/84/74/1035658474.db2.gz VULTWLOPJYDGTM-OIRASMEMSA-N 0 0 343.452 3.574 10 0 EHAERN CC[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccs1 ZINC000186632284 1035676344 /nfs/dbraw/zinc/67/63/44/1035676344.db2.gz MPVSEYTZBVNGLS-ZDUSSCGKSA-N 0 0 344.440 3.998 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2CCC(=O)c2ccc(F)cc2F)no1 ZINC000186908234 1035718357 /nfs/dbraw/zinc/71/83/57/1035718357.db2.gz SHMSWDFRKQNMEB-HNNXBMFYSA-N 0 0 349.381 3.881 10 0 EHAERN COc1cnccc1[C@H](C)NCc1nnc(-c2ccccc2Cl)o1 ZINC000187055382 1035748414 /nfs/dbraw/zinc/74/84/14/1035748414.db2.gz MZLFQLLVDZNRFB-NSHDSACASA-N 0 0 344.802 3.644 10 0 EHAERN COC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187118384 1035765864 /nfs/dbraw/zinc/76/58/64/1035765864.db2.gz XQAJFXFYYGPNHO-HNNXBMFYSA-N 0 0 345.424 3.607 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC([C@@H]2CCCO2)CC1 ZINC000187628265 1035850294 /nfs/dbraw/zinc/85/02/94/1035850294.db2.gz YAFSZCJVTSUIKK-SGQUHAKNSA-N 0 0 336.435 3.666 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccsc1Cl ZINC000187819195 1035861811 /nfs/dbraw/zinc/86/18/11/1035861811.db2.gz ZJUBDBYKBWVBFU-NSHDSACASA-N 0 0 338.841 3.843 10 0 EHAERN CC(C)c1nnc2n1CCN(Cc1cnc(C(C)(C)C)s1)[C@H]2C ZINC000188460593 1035939689 /nfs/dbraw/zinc/93/96/89/1035939689.db2.gz OANRPXHSBMXQJC-LBPRGKRZSA-N 0 0 333.505 3.732 10 0 EHAERN CC(C)c1nnc2n1CCN([C@@H](C)CCc1cccc(F)c1)[C@H]2C ZINC000188450992 1035939979 /nfs/dbraw/zinc/93/99/79/1035939979.db2.gz HYSCKHFNLSSVAE-GJZGRUSLSA-N 0 0 330.451 3.939 10 0 EHAERN CC(C)c1nc(C2(NCc3nc4ccccc4o3)CCCC2)no1 ZINC000173700122 1035945222 /nfs/dbraw/zinc/94/52/22/1035945222.db2.gz HIPVPGLDEQNWNM-UHFFFAOYSA-N 0 0 326.400 3.893 10 0 EHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188529941 1035947386 /nfs/dbraw/zinc/94/73/86/1035947386.db2.gz NHXYNGNEYYXOJS-KRWDZBQOSA-N 0 0 338.407 3.704 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2c(C)noc2C2CC2)cs1 ZINC000189363564 1036060882 /nfs/dbraw/zinc/06/08/82/1036060882.db2.gz GQOUJDOXDPOZAQ-ZDUSSCGKSA-N 0 0 332.429 3.994 10 0 EHAERN C[C@]1(C(=O)N2CC3(CCOCC3)c3ccccc32)CC1(Cl)Cl ZINC000189852613 1036156376 /nfs/dbraw/zinc/15/63/76/1036156376.db2.gz BWNVBHOCSZKENC-OAHLLOKOSA-N 0 0 340.250 3.665 10 0 EHAERN CCCCCC[C@@H](C)NC(=O)N1CCOC[C@H]1c1nc(C)cs1 ZINC000189959572 1036168239 /nfs/dbraw/zinc/16/82/39/1036168239.db2.gz WVLMDCDFZMJONK-HIFRSBDPSA-N 0 0 339.505 3.893 10 0 EHAERN C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190362388 1036229046 /nfs/dbraw/zinc/22/90/46/1036229046.db2.gz PRFWIJOHEHDDAD-SRVKXCTJSA-N 0 0 339.436 3.574 10 0 EHAERN C[C@@H](OC[C@@H]1CCCCO1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190382837 1036231887 /nfs/dbraw/zinc/23/18/87/1036231887.db2.gz BPSOSLMAECCXJK-QPSCCSFWSA-N 0 0 338.448 3.635 10 0 EHAERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCO[C@H](c2nccs2)C1 ZINC000332829049 1036242247 /nfs/dbraw/zinc/24/22/47/1036242247.db2.gz ONUSHBUIMRHLLP-JONQDZQNSA-N 0 0 349.500 3.585 10 0 EHAERN C[C@@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)c1cccnc1 ZINC000191198192 1036343327 /nfs/dbraw/zinc/34/33/27/1036343327.db2.gz WYGMVLJNYVCNQO-HIFRSBDPSA-N 0 0 330.378 3.870 10 0 EHAERN CC(=O)c1cc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)n(C)c1 ZINC000191490255 1036390665 /nfs/dbraw/zinc/39/06/65/1036390665.db2.gz LOTOPECDSYTEIK-ZDUSSCGKSA-N 0 0 346.377 3.526 10 0 EHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000192688666 1036539615 /nfs/dbraw/zinc/53/96/15/1036539615.db2.gz KKLAEZYUCWFPIR-DZGCQCFKSA-N 0 0 326.362 3.739 10 0 EHAERN O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCOc2ccccc21 ZINC000102848465 1036778104 /nfs/dbraw/zinc/77/81/04/1036778104.db2.gz QFQVFFJWBGZBKD-ZDUSSCGKSA-N 0 0 337.404 3.710 10 0 EHAERN Cc1csc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)n1 ZINC000102940055 1036790315 /nfs/dbraw/zinc/79/03/15/1036790315.db2.gz FRMPYVRLLLHRKN-LBPRGKRZSA-N 0 0 331.397 3.549 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)NCCc2c[nH]c3cccc(C)c23)n1 ZINC000103182461 1036852806 /nfs/dbraw/zinc/85/28/06/1036852806.db2.gz DOSDRCRABZTFNC-CYBMUJFWSA-N 0 0 342.468 3.844 10 0 EHAERN O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000092880555 1036861470 /nfs/dbraw/zinc/86/14/70/1036861470.db2.gz DTOYOCNGWIBJGT-ROUUACIJSA-N 0 0 344.455 3.577 10 0 EHAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000094055788 1036924561 /nfs/dbraw/zinc/92/45/61/1036924561.db2.gz WQHOGWGAIPWQQC-NZVBXONLSA-N 0 0 342.361 3.633 10 0 EHAERN O=C(Nc1cccc2ccccc21)c1ccc(-n2cnnn2)cc1Cl ZINC000103724003 1036933528 /nfs/dbraw/zinc/93/35/28/1036933528.db2.gz ZETDPMMHNYEHHN-UHFFFAOYSA-N 0 0 349.781 3.721 10 0 EHAERN O=C(N[C@@H]1CCCc2occc21)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000193542369 1037185913 /nfs/dbraw/zinc/18/59/13/1037185913.db2.gz JPRXYXKYGHSFKA-LMMKCTJWSA-N 0 0 325.408 3.941 10 0 EHAERN O=C(N[C@@H]1CCCc2occc21)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000193542386 1037187199 /nfs/dbraw/zinc/18/71/99/1037187199.db2.gz JPRXYXKYGHSFKA-YQVWRLOYSA-N 0 0 325.408 3.941 10 0 EHAERN CO[C@H](C)c1cccc(NC(=O)C(=O)NCCCCC(C)(C)C)c1 ZINC000105540338 1037210610 /nfs/dbraw/zinc/21/06/10/1037210610.db2.gz WUCXKOMOJPKLLS-CQSZACIVSA-N 0 0 334.460 3.665 10 0 EHAERN Fc1cc2nc(SCc3nc(-c4ccoc4)no3)[nH]c2cc1F ZINC000105573240 1037213923 /nfs/dbraw/zinc/21/39/23/1037213923.db2.gz YCYLYKBUIHPXBG-UHFFFAOYSA-N 0 0 334.307 3.776 10 0 EHAERN Cc1cc(CSCC(=O)N(C)[C@@H]2CCCc3ccccc32)no1 ZINC000105626285 1037226776 /nfs/dbraw/zinc/22/67/76/1037226776.db2.gz SPMWCHTYQRZCNL-QGZVFWFLSA-N 0 0 330.453 3.752 10 0 EHAERN Cc1cc(NC(=O)[C@H](C)SCc2csc(C(C)(C)C)n2)on1 ZINC000105633393 1037228113 /nfs/dbraw/zinc/22/81/13/1037228113.db2.gz ANJOMAMRRJHWMT-JTQLQIEISA-N 0 0 339.486 3.997 10 0 EHAERN CCOc1ccc(CCC(=O)N(C)CCc2ccccc2OC)cc1 ZINC000104460399 1037295976 /nfs/dbraw/zinc/29/59/76/1037295976.db2.gz NOONHMPNOOTVHG-UHFFFAOYSA-N 0 0 341.451 3.728 10 0 EHAERN C[C@H](c1nnc(-c2ccccc2)o1)N(C)Cc1nccn1C(F)F ZINC000101726353 1037573602 /nfs/dbraw/zinc/57/36/02/1037573602.db2.gz PZEMIBDBCHCGMI-LLVKDONJSA-N 0 0 333.342 3.521 10 0 EHAERN O=C(NCc1cscn1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000105371065 1037602152 /nfs/dbraw/zinc/60/21/52/1037602152.db2.gz UKCLRJAPSUEHOP-LJQANCHMSA-N 0 0 349.459 3.563 10 0 EHAERN CSCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218446 1037779249 /nfs/dbraw/zinc/77/92/49/1037779249.db2.gz SIYSJEHPRCYERZ-HNNXBMFYSA-N 0 0 329.469 3.536 10 0 EHAERN O=C(C1CCN(c2nc3cc(F)ccc3o2)CC1)N1CCCCCC1 ZINC000114446556 1037800477 /nfs/dbraw/zinc/80/04/77/1037800477.db2.gz BURDKZUFLBMKNV-UHFFFAOYSA-N 0 0 345.418 3.586 10 0 EHAERN O=C(NCCc1ccccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000114826678 1037810627 /nfs/dbraw/zinc/81/06/27/1037810627.db2.gz HHBKNAGYOCUYTE-AWEZNQCLSA-N 0 0 349.887 3.928 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000117791959 1037860858 /nfs/dbraw/zinc/86/08/58/1037860858.db2.gz DIANEJSIVNBFHR-BDJLRTHQSA-N 0 0 330.453 3.622 10 0 EHAERN O=C(c1cc(F)cc2nc[nH]c21)N1CC=C(c2cccs2)CC1 ZINC000117856204 1037863955 /nfs/dbraw/zinc/86/39/55/1037863955.db2.gz OPZJWKWIBYRITI-UHFFFAOYSA-N 0 0 327.384 3.693 10 0 EHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332755795 1037952635 /nfs/dbraw/zinc/95/26/35/1037952635.db2.gz NLTUSAQAFLODFX-MRAWALMUSA-N 0 0 328.412 3.703 10 0 EHAERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000332769239 1037953265 /nfs/dbraw/zinc/95/32/65/1037953265.db2.gz MQQVDKRRJRTXNS-XQLPTFJDSA-N 0 0 342.464 3.640 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)n[nH]3)C2)cc1 ZINC000121190621 1037956052 /nfs/dbraw/zinc/95/60/52/1037956052.db2.gz UROYMQRBGHCUAC-HIFRSBDPSA-N 0 0 327.428 3.560 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000121321005 1037960113 /nfs/dbraw/zinc/96/01/13/1037960113.db2.gz NKYADWNWEZPJSN-JLTOFOAXSA-N 0 0 347.418 3.600 10 0 EHAERN C[C@@H]1CC(CNC(=O)N2CCCC[C@H]2c2nccs2)C[C@@H](C)O1 ZINC000332931371 1037965985 /nfs/dbraw/zinc/96/59/85/1037965985.db2.gz RKFHYGCQAXSMFC-NFAWXSAZSA-N 0 0 337.489 3.583 10 0 EHAERN Cc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccncc2)c2ccccn2)c1 ZINC000124798109 1038236668 /nfs/dbraw/zinc/23/66/68/1038236668.db2.gz FBWLPZHZLIEONA-OXJNMPFZSA-N 0 0 346.434 3.935 10 0 EHAERN CCCOc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000125067830 1038272874 /nfs/dbraw/zinc/27/28/74/1038272874.db2.gz TYOLLGZDLTZZBX-SFHVURJKSA-N 0 0 344.411 3.982 10 0 EHAERN CO[C@@H]1CCC[C@@H]1OC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000125121498 1038280595 /nfs/dbraw/zinc/28/05/95/1038280595.db2.gz MVQAJZLJGPOKFW-CVEARBPZSA-N 0 0 346.814 3.830 10 0 EHAERN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000408065300 1038316812 /nfs/dbraw/zinc/31/68/12/1038316812.db2.gz NNMUFSWXUDRHAL-XAUMDUMWSA-N 0 0 347.503 3.572 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(-c2ccncc2)on1 ZINC000123390630 1038731598 /nfs/dbraw/zinc/73/15/98/1038731598.db2.gz SWJBMQWPMWGENR-VXGBXAGGSA-N 0 0 339.317 3.588 10 0 EHAERN CC[C@@]1(C)CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000408418059 1039763660 /nfs/dbraw/zinc/76/36/60/1039763660.db2.gz YWJXJEWRLKLTOE-FQEVSTJZSA-N 0 0 343.471 3.967 10 0 EHAERN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151178230 1039766526 /nfs/dbraw/zinc/76/65/26/1039766526.db2.gz NGYMLUAYVXSRNT-LIRRHRJNSA-N 0 0 346.858 3.517 10 0 EHAERN CC(C)n1nnnc1CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000171236493 1039815824 /nfs/dbraw/zinc/81/58/24/1039815824.db2.gz OLQNQGXXPUFHJE-UHFFFAOYSA-N 0 0 333.867 3.857 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000245510440 1040074301 /nfs/dbraw/zinc/07/43/01/1040074301.db2.gz LJCCVDQZHUZINP-JYJNAYRXSA-N 0 0 332.492 3.815 10 0 EHAERN CCc1ccc(CC)c(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000151424913 1040104065 /nfs/dbraw/zinc/10/40/65/1040104065.db2.gz KXYYVTPULHVLTQ-FXAWDEMLSA-N 0 0 330.472 3.970 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)c1cccs1 ZINC000171350265 1040126251 /nfs/dbraw/zinc/12/62/51/1040126251.db2.gz RLXAEFVCVIBUMT-UONOGXRCSA-N 0 0 348.472 3.555 10 0 EHAERN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cn(C)nc1C ZINC000189690033 1040279211 /nfs/dbraw/zinc/27/92/11/1040279211.db2.gz HZDAJFGXKFAIRM-WMZOPIPTSA-N 0 0 326.444 3.919 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H](C)C1 ZINC000155402477 1040401149 /nfs/dbraw/zinc/40/11/49/1040401149.db2.gz NUNOTQDTLDZDJG-CABCVRRESA-N 0 0 329.444 3.713 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)o1 ZINC000245738086 1040497039 /nfs/dbraw/zinc/49/70/39/1040497039.db2.gz BNNVQWOPQVNWAY-CYGHRXIMSA-N 0 0 344.455 3.782 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 ZINC000408441225 1040660970 /nfs/dbraw/zinc/66/09/70/1040660970.db2.gz DEBDRXMUFBVKFK-UHFFFAOYSA-N 0 0 331.338 3.850 10 0 EHAERN Cc1ccccc1[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000332977826 1040680352 /nfs/dbraw/zinc/68/03/52/1040680352.db2.gz NHWZMRXOTUAWEU-QFUCXCTJSA-N 0 0 342.483 3.783 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H]1CCOC2(CCC2)C1 ZINC000332983688 1040720139 /nfs/dbraw/zinc/72/01/39/1040720139.db2.gz XRGMBXPHTASQOX-UPJWGTAASA-N 0 0 334.382 3.508 10 0 EHAERN O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333038630 1041097470 /nfs/dbraw/zinc/09/74/70/1041097470.db2.gz AAIHGZFKUWBPNS-FRRDWIJNSA-N 0 0 344.427 3.703 10 0 EHAERN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000333055991 1041160479 /nfs/dbraw/zinc/16/04/79/1041160479.db2.gz RIUSJGCSKCVTKD-BDJLRTHQSA-N 0 0 346.381 3.772 10 0 EHAERN Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(C)c1 ZINC000408147907 1041802239 /nfs/dbraw/zinc/80/22/39/1041802239.db2.gz JGJZWWJZILIHRC-MISYRCLQSA-N 0 0 344.499 3.837 10 0 EHAERN O[C@]12CCCC[C@H]1CN(c1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000301721106 1041849779 /nfs/dbraw/zinc/84/97/79/1041849779.db2.gz QGAYFVXOXRVVSP-GUYCJALGSA-N 0 0 333.819 3.521 10 0 EHAERN Cc1nc([C@@H]2CCCCCN2C(=O)[C@H]2CCc3ccccc32)no1 ZINC000408156405 1041890883 /nfs/dbraw/zinc/89/08/83/1041890883.db2.gz ZLMIKSKMRINYJZ-IRXDYDNUSA-N 0 0 325.412 3.552 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)[C@H]2CCCC[C@H]12 ZINC000408175095 1042121335 /nfs/dbraw/zinc/12/13/35/1042121335.db2.gz POESKGXRQSZUIV-XPKDYRNWSA-N 0 0 342.443 3.936 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)cc2c1 ZINC000408212116 1042587182 /nfs/dbraw/zinc/58/71/82/1042587182.db2.gz ULSCQKUUHQCNAX-IEBWSBKVSA-N 0 0 340.467 3.721 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2ccc(F)cc2F)c2ccccc2)[nH]1 ZINC000162507953 1042735396 /nfs/dbraw/zinc/73/53/96/1042735396.db2.gz ICWGDIIOLCTWOH-DIFFPNOSSA-N 0 0 328.366 3.832 10 0 EHAERN CC(C)c1nc(C(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1ccccc1F ZINC000330324109 1042900519 /nfs/dbraw/zinc/90/05/19/1042900519.db2.gz TZXWIAWORQZVRW-HIFRSBDPSA-N 0 0 342.418 3.544 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC[C@](C)(O)CC1 ZINC000408287194 1042971329 /nfs/dbraw/zinc/97/13/29/1042971329.db2.gz PIPIXKHKJQDHLT-XLIONFOSSA-N 0 0 330.472 3.647 10 0 EHAERN Cc1cccc([C@H](C)NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1C ZINC000247536331 1043779676 /nfs/dbraw/zinc/77/96/76/1043779676.db2.gz PRDSTFWXRHRJHD-BXWFABGCSA-N 0 0 348.512 3.718 10 0 EHAERN O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1ccnc(Cl)c1 ZINC000101964684 1135434699 /nfs/dbraw/zinc/43/46/99/1135434699.db2.gz VMTLQNJZPJBGQE-UHFFFAOYSA-N 0 0 345.704 3.920 10 0 EHAERN O=C(OCCc1cccnc1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000105558220 1135953805 /nfs/dbraw/zinc/95/38/05/1135953805.db2.gz YNTBBLXXUGSRCU-UHFFFAOYSA-N 0 0 335.325 3.918 10 0 EHAERN Cc1noc(C)c1CC(=O)OCCc1ccccc1C(F)(F)F ZINC000105776239 1135976264 /nfs/dbraw/zinc/97/62/64/1135976264.db2.gz UZGTYUAUISNZNT-UHFFFAOYSA-N 0 0 327.302 3.639 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3CCOc4ccccc43)c21 ZINC000103127554 1137875255 /nfs/dbraw/zinc/87/52/55/1137875255.db2.gz DFGQSSPONPEMHY-QGZVFWFLSA-N 0 0 334.419 3.701 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000103316210 1137875972 /nfs/dbraw/zinc/87/59/72/1137875972.db2.gz JLVXKNXUOJXOHU-UHFFFAOYSA-N 0 0 349.837 3.993 10 0 EHAERN Cn1ccnc1[C@@H]1N(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1(C)C ZINC000333298645 1138274907 /nfs/dbraw/zinc/27/49/07/1138274907.db2.gz BXJGPUSZNGRUAJ-ULQDDVLXSA-N 0 0 344.503 3.729 10 0 EHAERN CC1(C)CCC[C@@H](CNC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000333713668 1138324082 /nfs/dbraw/zinc/32/40/82/1138324082.db2.gz UBNVITKIDHNBSA-BPQIPLTHSA-N 0 0 345.487 3.817 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)CC(C)(C)C1 ZINC000333954500 1138353205 /nfs/dbraw/zinc/35/32/05/1138353205.db2.gz FKHKVSDWDPOFNX-YFHUEUNASA-N 0 0 330.472 3.880 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCOCc2ccccc2)cs1 ZINC000187102870 1140239082 /nfs/dbraw/zinc/23/90/82/1140239082.db2.gz YYRJTISTWJECMH-KRWDZBQOSA-N 0 0 330.453 3.722 10 0 EHAERN CCOc1ccccc1NC(=O)CN1CCC[C@H]1c1csc(C)n1 ZINC000189848180 1140367865 /nfs/dbraw/zinc/36/78/65/1140367865.db2.gz ARVOVVQPCWOZDH-INIZCTEOSA-N 0 0 345.468 3.626 10 0 EHAERN COc1cc(N)ccc1OCc1ccc(F)cc1Br ZINC000050505193 214058170 /nfs/dbraw/zinc/05/81/70/214058170.db2.gz PBIQKFPJOJXGSX-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN Cc1nn([C@H](C)C(=O)c2ccc(F)cc2)c(C)c1Br ZINC000050593729 214060796 /nfs/dbraw/zinc/06/07/96/214060796.db2.gz BMKDIRONQJUWJT-SNVBAGLBSA-N 0 0 325.181 3.845 10 0 EHAERN O[C@@H](Cc1cccc(Br)c1)Cc1ccc(F)cc1F ZINC000050885795 214072042 /nfs/dbraw/zinc/07/20/42/214072042.db2.gz XBDHTEKEKPVDAV-AWEZNQCLSA-N 0 0 327.168 3.873 10 0 EHAERN Cc1ccc(N)c(C(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000053003307 214159669 /nfs/dbraw/zinc/15/96/69/214159669.db2.gz AEGHYDHOMDIBMA-UHFFFAOYSA-N 0 0 339.258 3.673 10 0 EHAERN COc1ccccc1[C@H](O)Cc1cc(F)ccc1Br ZINC000053781021 214198185 /nfs/dbraw/zinc/19/81/85/214198185.db2.gz CYPXEFCAULLDLV-CQSZACIVSA-N 0 0 325.177 3.873 10 0 EHAERN COc1ccc([C@H](O)c2cccc(F)c2F)c(Br)c1 ZINC000054213853 214224301 /nfs/dbraw/zinc/22/43/01/214224301.db2.gz GFZSROMENOIVTG-AWEZNQCLSA-N 0 0 329.140 3.818 10 0 EHAERN Nc1ccc(C(=O)OCc2cc(Br)cs2)cc1F ZINC000054413892 214236735 /nfs/dbraw/zinc/23/67/35/214236735.db2.gz HFNAVHXSFAZQTK-UHFFFAOYSA-N 0 0 330.178 3.589 10 0 EHAERN COC(=O)[C@@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000055195743 214287219 /nfs/dbraw/zinc/28/72/19/214287219.db2.gz BVXUBVGEAWKKTC-INIZCTEOSA-N 0 0 348.830 3.831 10 0 EHAERN Cc1sc2[nH]c(C[C@@H]3CCCO3)nc(=O)c2c1-c1ccccc1 ZINC000055502056 214327938 /nfs/dbraw/zinc/32/79/38/214327938.db2.gz LBIWLSVKMVACKL-ZDUSSCGKSA-N 0 0 326.421 3.682 10 0 EHAERN CCOC(=O)Nc1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1 ZINC000055600511 214332899 /nfs/dbraw/zinc/33/28/99/214332899.db2.gz GHBSRVNKKVWZKK-SEYXRHQNSA-N 0 0 346.408 3.668 10 0 EHAERN Nc1ccccc1Sc1c2c(nc3nc(-c4ccco4)nn31)CCC2 ZINC000057341199 214419137 /nfs/dbraw/zinc/41/91/37/214419137.db2.gz BCTNJAVKLWUHQJ-UHFFFAOYSA-N 0 0 349.419 3.606 10 0 EHAERN Cc1nc(N)sc1C(=O)Nc1cc(Br)ccc1Cl ZINC000061692414 214671825 /nfs/dbraw/zinc/67/18/25/214671825.db2.gz YNCPXHYYPKUBFA-UHFFFAOYSA-N 0 0 346.637 3.702 10 0 EHAERN CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1 ZINC000100002032 219088148 /nfs/dbraw/zinc/08/81/48/219088148.db2.gz QOTAQTRFJWLFCR-WJYNOGRTSA-N 0 0 325.408 3.948 10 0 in-vitro EHAERN O=C1CCc2cc(OCc3cccc(Br)c3)ccc2N1 ZINC000049129528 213989698 /nfs/dbraw/zinc/98/96/98/213989698.db2.gz ILXPMSORJOKCBQ-UHFFFAOYSA-N 0 0 332.197 3.913 10 0 EHAERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[C@H]1c1ccco1 ZINC000067041482 215106468 /nfs/dbraw/zinc/10/64/68/215106468.db2.gz JKAHNLKCZWUIHM-OLZOCXBDSA-N 0 0 344.798 3.802 10 0 EHAERN Nc1c(Nc2cc(F)ccc2F)[nH]cnc1=NNc1ccccc1 ZINC000040757611 213383011 /nfs/dbraw/zinc/38/30/11/213383011.db2.gz YEFXARJUASCQEE-UHFFFAOYSA-N 0 0 328.326 3.520 10 0 EHAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1ccccc1F ZINC000040759314 213382705 /nfs/dbraw/zinc/38/27/05/213382705.db2.gz VBNSAWVQQJYHCB-UHFFFAOYSA-N 0 0 331.301 3.963 10 0 EHAERN Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1N1CCCCCC1 ZINC000040725435 213376199 /nfs/dbraw/zinc/37/61/99/213376199.db2.gz JORNHNMEMSMCAI-UHFFFAOYSA-N 0 0 341.503 3.820 10 0 EHAERN CN(C)c1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682414 213368354 /nfs/dbraw/zinc/36/83/54/213368354.db2.gz AMGNIMMACLIVLX-UHFFFAOYSA-N 0 0 331.729 3.541 10 0 EHAERN CCN(c1cccc(C)c1)c1ncnc(-n2cnc3ccccc32)c1N ZINC000040662032 213366543 /nfs/dbraw/zinc/36/65/43/213366543.db2.gz RCKCFWILNGPDDV-UHFFFAOYSA-N 0 0 344.422 3.864 10 0 EHAERN CCC(CC)[C@H](C)NS(=O)(=O)c1ccccc1Br ZINC000104434706 219386850 /nfs/dbraw/zinc/38/68/50/219386850.db2.gz PIYQNRUNBGDANS-JTQLQIEISA-N 0 0 334.279 3.552 10 0 EHAERN Cc1ccc(N2C(=O)S/C(=C3/C(=O)Nc4ccccc43)C2=O)cc1 ZINC000001750683 209790235 /nfs/dbraw/zinc/79/02/35/209790235.db2.gz IAWJTMVAZZYFES-CCEZHUSRSA-N 0 0 336.372 3.558 10 0 EHAERN Cc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1cccc(Cl)c1 ZINC000039963583 213247034 /nfs/dbraw/zinc/24/70/34/213247034.db2.gz LLIFKUJBYPITQP-UHFFFAOYSA-N 0 0 344.773 3.741 10 0 EHAERN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(N)ccc1Cl ZINC000038033773 213194199 /nfs/dbraw/zinc/19/41/99/213194199.db2.gz QEQGWDHUENONKU-UHFFFAOYSA-N 0 0 331.224 3.685 10 0 EHAERN CCOC(=O)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000038013298 213190203 /nfs/dbraw/zinc/19/02/03/213190203.db2.gz XOOJZKSBJIPULY-UHFFFAOYSA-N 0 0 333.215 3.799 10 0 EHAERN Cc1nc(Cl)sc1S(=O)(=O)N[C@H](c1ccccc1)C(C)C ZINC000037985272 213184135 /nfs/dbraw/zinc/18/41/35/213184135.db2.gz XLHFZEMSDANJNL-LBPRGKRZSA-N 0 0 344.889 3.781 10 0 EHAERN COc1ccc(Br)c(C(=O)N(C)[C@@H](C)CC(C)C)c1 ZINC000037984250 213182639 /nfs/dbraw/zinc/18/26/39/213182639.db2.gz JGHXADUBSFEWLR-NSHDSACASA-N 0 0 328.250 3.964 10 0 EHAERN CC(C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1Br ZINC000037976303 213179233 /nfs/dbraw/zinc/17/92/33/213179233.db2.gz NYNQHZAOJXLBTG-LLVKDONJSA-N 0 0 336.229 3.894 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCC1)c1cccc(Br)c1 ZINC000037970794 213178055 /nfs/dbraw/zinc/17/80/55/213178055.db2.gz SVFUGSVAOSYECQ-AWEZNQCLSA-N 0 0 326.234 3.586 10 0 EHAERN CCOC(=O)[C@H](NC1CCCC1)c1ccccc1Br ZINC000037970857 213177930 /nfs/dbraw/zinc/17/79/30/213177930.db2.gz WTIWGFVCPDVOQX-CQSZACIVSA-N 0 0 326.234 3.586 10 0 EHAERN NC(=O)[C@@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000037944459 213174869 /nfs/dbraw/zinc/17/48/69/213174869.db2.gz CZUHSPPMLBKVEA-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN Cc1ccc([C@H](C)N(C)C(=O)c2cc(Br)cn2C)s1 ZINC000037845921 213170670 /nfs/dbraw/zinc/17/06/70/213170670.db2.gz ZJSPHXQXJATDRK-JTQLQIEISA-N 0 0 341.274 3.991 10 0 EHAERN COc1cc(F)c(C(=O)c2ccccc2Br)c(F)c1 ZINC000037903044 213172249 /nfs/dbraw/zinc/17/22/49/213172249.db2.gz QQKWLIIPYSJJMH-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN Nc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)cn1 ZINC000037192430 213135407 /nfs/dbraw/zinc/13/54/07/213135407.db2.gz ZORWWYBZCSEVTK-UHFFFAOYSA-N 0 0 328.224 3.701 10 0 EHAERN CC[C@H](N[C@H](C(=O)OC)C(C)C)c1cccc(Br)c1 ZINC000037257105 213137323 /nfs/dbraw/zinc/13/73/23/213137323.db2.gz VABHGZXUPNIMLY-KBPBESRZSA-N 0 0 328.250 3.687 10 0 EHAERN CC[C@@H](C)[C@@H](N[C@@H](C)c1ccccc1Br)C(=O)OC ZINC000037103073 213133283 /nfs/dbraw/zinc/13/32/83/213133283.db2.gz JWDZUDHDLNCWCX-UHIISALHSA-N 0 0 328.250 3.687 10 0 EHAERN COC(=O)c1ccc(F)cc1NCc1ccc(Br)o1 ZINC000037119332 213133286 /nfs/dbraw/zinc/13/32/86/213133286.db2.gz QBBXVTAHNLSZBX-UHFFFAOYSA-N 0 0 328.137 3.580 10 0 EHAERN CCNC(=O)Nc1c(N)n(-c2ccc(C)cc2C)nc1C(C)(C)C ZINC000035868076 213050296 /nfs/dbraw/zinc/05/02/96/213050296.db2.gz NHARPVAWABKIKV-UHFFFAOYSA-N 0 0 329.448 3.510 10 0 EHAERN Cc1ccc(C)c(NC(=O)CCn2c(=O)cc(C)c3ccccc32)c1 ZINC000032526335 212808590 /nfs/dbraw/zinc/80/85/90/212808590.db2.gz YNFMDZVBGSYNOF-UHFFFAOYSA-N 0 0 334.419 3.956 10 0 EHAERN Brc1nc(N2CCCCC2)sc1Br ZINC000072192919 216068245 /nfs/dbraw/zinc/06/82/45/216068245.db2.gz GWMDWEZKJXRRCJ-UHFFFAOYSA-N 0 0 326.057 3.658 10 0 EHAERN COc1ccc(Cc2nc3ccccc3c(NC[C@H]3CCCO3)n2)cc1 ZINC000000269132 209512563 /nfs/dbraw/zinc/51/25/63/209512563.db2.gz ZRUURUJQUXYWAW-QGZVFWFLSA-N 0 0 349.434 3.820 10 0 EHAERN COc1ccc2[nH]c(CNc3cc(C)nc4c(C)c(C)nn43)cc2c1 ZINC000072435908 216231110 /nfs/dbraw/zinc/23/11/10/216231110.db2.gz UOJVNTAZUXPEEG-UHFFFAOYSA-N 0 0 335.411 3.757 10 0 EHAERN CCc1nn2c(nccc2-c2c(O)cc(C)oc2=O)c1-c1ccccc1 ZINC000072451569 216239867 /nfs/dbraw/zinc/23/98/67/216239867.db2.gz RBXULUNROBVCIT-UHFFFAOYSA-N 0 0 347.374 3.593 10 0 EHAERN Cc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1ccc(F)c(F)c1 ZINC000072465040 216246189 /nfs/dbraw/zinc/24/61/89/216246189.db2.gz QTIKDKDXUGGFRU-UHFFFAOYSA-N 0 0 346.381 3.552 10 0 EHAERN CCOC(=O)[C@](C)(N[C@@H](C)CC)c1cccc(Br)c1 ZINC000038067695 213199982 /nfs/dbraw/zinc/19/99/82/213199982.db2.gz QZCUPDWBNJUNRA-XHDPSFHLSA-N 0 0 328.250 3.616 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)o1 ZINC000195659347 241031777 /nfs/dbraw/zinc/03/17/77/241031777.db2.gz XRWDGYADRYVXGP-RVKKMQEKSA-N 0 0 328.412 3.821 10 0 EHAERN COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1Br)O2 ZINC000022003032 212268343 /nfs/dbraw/zinc/26/83/43/212268343.db2.gz VWHHWLMRPXKRKT-HNNXBMFYSA-N 0 0 333.181 3.912 10 0 EHAERN Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)c1C ZINC000021143693 212211282 /nfs/dbraw/zinc/21/12/82/212211282.db2.gz UXZBLJNJRMCJRX-SFHVURJKSA-N 0 0 338.407 3.673 10 0 EHAERN COc1cccc([C@@H](CC(=O)Nc2nccs2)n2cccc2)c1 ZINC000020998294 212197668 /nfs/dbraw/zinc/19/76/68/212197668.db2.gz DWGCNUXHGBFPGT-OAHLLOKOSA-N 0 0 327.409 3.571 10 0 EHAERN CCCN1[C@@H](c2ccccc2)CC(=O)N1C(=O)/C=C/c1ccccc1 ZINC000255972613 244055239 /nfs/dbraw/zinc/05/52/39/244055239.db2.gz FSWZXYHVBGSZEZ-JKIKYLSZSA-N 0 0 334.419 3.827 10 0 EHAERN COc1ccc(CCC(=O)Nc2ccc(Cl)cc2N)cc1OC ZINC000020344623 212121648 /nfs/dbraw/zinc/12/16/48/212121648.db2.gz WFLMHSPJUMURGZ-UHFFFAOYSA-N 0 0 334.803 3.511 10 0 EHAERN CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000012493634 211393833 /nfs/dbraw/zinc/39/38/33/211393833.db2.gz QPLFSAZMHUAMKE-MOFOTJPJSA-N 0 0 334.500 3.710 10 0 EHAERN CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000012493646 211393337 /nfs/dbraw/zinc/39/33/37/211393337.db2.gz QPLFSAZMHUAMKE-MMIDEKFVSA-N 0 0 334.500 3.710 10 0 EHAERN Cc1ccsc1C(=O)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075227 218272850 /nfs/dbraw/zinc/27/28/50/218272850.db2.gz DGGOQTAZAYEYQP-ZDUSSCGKSA-N 0 0 338.473 3.528 10 0 EHAERN CCc1c(C(=O)NCc2ccco2)c(C2CC2)nn1-c1ccccc1 ZINC000006773481 210707453 /nfs/dbraw/zinc/70/74/53/210707453.db2.gz BBHRJZNWLYVCCO-UHFFFAOYSA-N 0 0 335.407 3.835 10 0 EHAERN C=COCCCCOC(=O)CCCCC(=O)OCCCCOC=C ZINC000004979079 210346907 /nfs/dbraw/zinc/34/69/07/210346907.db2.gz BRIBAUTYNMWEHP-UHFFFAOYSA-N 0 0 342.432 3.514 10 0 EHAERN Cc1noc(C)c1C[C@@H](C)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299745123 258008716 /nfs/dbraw/zinc/00/87/16/258008716.db2.gz WHNRTPMJSDXSDJ-DGFSRKRXSA-N 0 0 333.432 3.939 10 0 EHAERN Cc1ccc(-c2oncc2C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000062632300 132805635 /nfs/dbraw/zinc/80/56/35/132805635.db2.gz ASVMIGNYACWHPN-UHFFFAOYSA-N 0 0 347.418 3.612 10 0 EHAERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@H](C)c1cnn(C)c1)CC2 ZINC000188130452 519840535 /nfs/dbraw/zinc/84/05/35/519840535.db2.gz YYXSIBKLTYXGKA-KUHUBIRLSA-N 0 0 340.471 3.933 10 0 EHAERN COCCn1cc(N[C@H](C)c2ccc(Br)s2)cn1 ZINC000038003004 522109767 /nfs/dbraw/zinc/10/97/67/522109767.db2.gz WOAFLLKTWWEPOM-SECBINFHSA-N 0 0 330.251 3.527 10 0 EHAERN COc1ccc([C@@H](C)NC(=O)NCc2ccc(F)c(C)c2)cc1OC ZINC000045345774 525136883 /nfs/dbraw/zinc/13/68/83/525136883.db2.gz SLWJBBFJTQGTSR-CYBMUJFWSA-N 0 0 346.402 3.712 10 0 EHAERN Cc1nnc(S[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)s1 ZINC000042986890 526389112 /nfs/dbraw/zinc/38/91/12/526389112.db2.gz LDLXBJOBGRNUFK-FZMZJTMJSA-N 0 0 335.498 3.841 10 0 EHAERN CCOC(=O)Cc1ccc(NC(=O)n2ncc3c2cccc3C)cc1 ZINC000006750010 563585328 /nfs/dbraw/zinc/58/53/28/563585328.db2.gz WSCIGBSNHKVWNX-UHFFFAOYSA-N 0 0 337.379 3.531 10 0 EHAERN CCc1csc(-c2cn(CC(=O)Nc3ccccc3CC)cn2)n1 ZINC000065250547 563767273 /nfs/dbraw/zinc/76/72/73/563767273.db2.gz YRNFXPJNQXUXFW-UHFFFAOYSA-N 0 0 340.452 3.770 10 0 EHAERN COc1cccc(NC(=O)Nc2noc3c2COc2ccccc2-3)c1 ZINC000006892865 564100909 /nfs/dbraw/zinc/10/09/09/564100909.db2.gz XNOMUTYGQOOEBV-UHFFFAOYSA-N 0 0 337.335 3.887 10 0 EHAERN CC(C)NC(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037397541 564121144 /nfs/dbraw/zinc/12/11/44/564121144.db2.gz WIGXZQYUMDQDMA-UHFFFAOYSA-N 0 0 341.842 3.805 10 0 EHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253396050 564130499 /nfs/dbraw/zinc/13/04/99/564130499.db2.gz KEHBWXPCFDVISV-RLLQIKCJSA-N 0 0 340.467 3.574 10 0 EHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H](C)CC3CCCCC3)C2)n1 ZINC000116775500 1014275204 /nfs/dbraw/zinc/27/52/04/1014275204.db2.gz ABCNIGMQVVWWDC-KXBFYZLASA-N 0 0 346.519 3.740 10 0 EHAERN CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2cc(C(=O)[O-])co2)c1 ZINC000691783463 976382639 /nfs/dbraw/zinc/38/26/39/976382639.db2.gz FDQOTLKQEMIZSY-UHFFFAOYSA-N 0 0 346.383 3.615 10 0 EHAERN C[C@H]1CCCC[C@H]1N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000045082120 1014933671 /nfs/dbraw/zinc/93/36/71/1014933671.db2.gz IHCJRMVLLUUGAU-GOEBONIOSA-N 0 0 348.512 3.637 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2ccc(C)o2)cc1 ZINC000182563566 1032110866 /nfs/dbraw/zinc/11/08/66/1032110866.db2.gz DZZPJLUIRAZTAX-CRAIPNDOSA-N 0 0 342.439 3.611 10 0 EHAERN Cc1nnnn1-c1cccc(N[C@@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000182872183 1032147221 /nfs/dbraw/zinc/14/72/21/1032147221.db2.gz WBLIIHZHKKWQBO-VIFPVBQESA-N 0 0 333.317 3.561 10 0 EHAERN Fc1ccc(OC2CCN(CCC(Cl)(Cl)Cl)CC2)cn1 ZINC000190566228 1036257319 /nfs/dbraw/zinc/25/73/19/1036257319.db2.gz ZNQDRYMBTAFLLM-UHFFFAOYSA-N 0 0 341.641 3.824 10 0 EHAERN O=C(/C=C\c1ccncn1)Oc1cc(Br)ccc1Cl ZINC000588441024 1016748408 /nfs/dbraw/zinc/74/84/08/1016748408.db2.gz OUEIORWWISIMAD-RQOWECAXSA-N 0 0 339.576 3.511 10 0 EHAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000408000213 1016825305 /nfs/dbraw/zinc/82/53/05/1016825305.db2.gz ZZAVDGDLYFPFFM-QTMHVTGLSA-N 0 0 348.531 3.793 10 0 EHAERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000408028116 1017054779 /nfs/dbraw/zinc/05/47/79/1017054779.db2.gz OJPQUFCFZSDREA-SZMVWBNQSA-N 0 0 330.472 3.957 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cc(C)ccn3)C2)cc1 ZINC000184062115 1032268141 /nfs/dbraw/zinc/26/81/41/1032268141.db2.gz YXMYZZZVFXENHO-ZBFHGGJFSA-N 0 0 325.412 3.809 10 0 EHAERN CCC[C@@H]1CCCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000185418562 1032396045 /nfs/dbraw/zinc/39/60/45/1032396045.db2.gz NSZVBOYSVGKXEJ-CJNGLKHVSA-N 0 0 332.469 3.671 10 0 EHAERN CCCC[C@@H](CC)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185506193 1032436889 /nfs/dbraw/zinc/43/68/89/1032436889.db2.gz OTVTWCMEQAXPCQ-DNVCBOLYSA-N 0 0 348.462 3.952 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185521333 1032438527 /nfs/dbraw/zinc/43/85/27/1032438527.db2.gz XFILDWPEDXOIKS-KUHUBIRLSA-N 0 0 348.462 3.808 10 0 EHAERN C[C@H](OC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)c(F)c1 ZINC000118950667 1032476130 /nfs/dbraw/zinc/47/61/30/1032476130.db2.gz SVEWVELZTPTCEG-GWCFXTLKSA-N 0 0 331.318 3.695 10 0 EHAERN Cc1ccc2ncnc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)c2c1 ZINC000275567169 1017096562 /nfs/dbraw/zinc/09/65/62/1017096562.db2.gz IPOBMNQSODLFEQ-GOSISDBHSA-N 0 0 333.439 3.882 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)[C@H](C)c3cccs3)C2)c1 ZINC000081640527 1032615315 /nfs/dbraw/zinc/61/53/15/1032615315.db2.gz DQZUPQCRQQVHGG-KGLIPLIRSA-N 0 0 345.464 3.885 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(C)cc3)C2)c1 ZINC000081639190 1032615686 /nfs/dbraw/zinc/61/56/86/1032615686.db2.gz ZDFZZHKDNKZTAI-INIZCTEOSA-N 0 0 325.408 3.642 10 0 EHAERN C[C@H]1CC[C@H](C)N(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000159182632 1032673300 /nfs/dbraw/zinc/67/33/00/1032673300.db2.gz BRLVATVLBGHTHP-RYUDHWBXSA-N 0 0 337.851 3.694 10 0 EHAERN CCc1oc(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc1C ZINC000408038417 1017501952 /nfs/dbraw/zinc/50/19/52/1017501952.db2.gz MLLCGKAPBWWOJQ-MRXNPFEDSA-N 0 0 341.455 3.740 10 0 EHAERN c1cc2c(ncnc2N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)s1 ZINC000275689239 1018155890 /nfs/dbraw/zinc/15/58/90/1018155890.db2.gz QTMVMWHHDIDMPS-CQSZACIVSA-N 0 0 325.441 3.635 10 0 EHAERN Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333208566 1018840950 /nfs/dbraw/zinc/84/09/50/1018840950.db2.gz PCRGKGGAKGDHSK-DNVCBOLYSA-N 0 0 327.428 3.635 10 0 EHAERN CCC[C@@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116544661 1019054125 /nfs/dbraw/zinc/05/41/25/1019054125.db2.gz ZVZHVBOMBBAOEG-SJLPKXTDSA-N 0 0 332.492 3.668 10 0 EHAERN O=C(/C=C\c1ccncn1)N(CCc1ccccc1)c1ccccc1 ZINC000588403065 1020547853 /nfs/dbraw/zinc/54/78/53/1020547853.db2.gz IFVNKKICJRNMSV-QXMHVHEDSA-N 0 0 329.403 3.766 10 0 EHAERN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000247977649 1021478694 /nfs/dbraw/zinc/47/86/94/1021478694.db2.gz GQTQLOLQGQCFSE-XHDPSFHLSA-N 0 0 333.819 3.815 10 0 EHAERN O=C(c1csc(C2CCCCC2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000334059914 1021937695 /nfs/dbraw/zinc/93/76/95/1021937695.db2.gz YCFUNPZSYMACFM-DNVCBOLYSA-N 0 0 348.512 3.958 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c2ccccc2O1 ZINC000246605455 1022075389 /nfs/dbraw/zinc/07/53/89/1022075389.db2.gz BKVJYVIXZTWUKK-NCOADZHNSA-N 0 0 344.455 3.546 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cc(C(N)=O)ccc3F)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333783191 1022137017 /nfs/dbraw/zinc/13/70/17/1022137017.db2.gz CALSCDOBJMZQLJ-AWVJWHHFSA-N 0 0 331.391 3.609 10 0 EHAERN CC(C)(C)C1=CCN(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)CC1 ZINC000334097120 1022207634 /nfs/dbraw/zinc/20/76/34/1022207634.db2.gz SROLPDUBCFLBJE-ROUUACIJSA-N 0 0 343.471 3.690 10 0 EHAERN O=C(N[C@H]1CCO[C@H](c2cccs2)C1)N1Cc2ccccc2CO1 ZINC000334100712 1022283116 /nfs/dbraw/zinc/28/31/16/1022283116.db2.gz WCOPSDNQINPXTB-HOTGVXAUSA-N 0 0 344.436 3.625 10 0 EHAERN O=C(N[C@@H]1CCCC[C@H]1F)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000334110178 1022404107 /nfs/dbraw/zinc/40/41/07/1022404107.db2.gz BCPKEPKUMRHBRO-DGAVXFQQSA-N 0 0 326.437 3.548 10 0 EHAERN Cc1ccc(Oc2ccccc2CNC(=O)/C=C\c2ccncn2)cc1 ZINC000588438172 1022432208 /nfs/dbraw/zinc/43/22/08/1022432208.db2.gz JJMKSYMVOYUPOV-FLIBITNWSA-N 0 0 345.402 3.907 10 0 EHAERN CC[C@@H](NC(=O)/C(C)=C\c1ccc(OC)c(F)c1)c1nccs1 ZINC000588440736 1022458255 /nfs/dbraw/zinc/45/82/55/1022458255.db2.gz FGYAJYFOYMSORW-RBJHHQRMSA-N 0 0 334.416 3.962 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)C[C@@H]2CCCc3ccccc32)[nH]1 ZINC000328748608 1022481143 /nfs/dbraw/zinc/48/11/43/1022481143.db2.gz QMVVKOSFSLORNB-FUHWJXTLSA-N 0 0 338.455 3.677 10 0 EHAERN CCCc1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)cs1 ZINC000101541542 1022502849 /nfs/dbraw/zinc/50/28/49/1022502849.db2.gz GHGWXMJVCDFEQF-UHFFFAOYSA-N 0 0 329.400 3.507 10 0 EHAERN O=C([C@@H]1CCC(=O)c2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000328798043 1022503476 /nfs/dbraw/zinc/50/34/76/1022503476.db2.gz FSRUDLJTSNBJLW-XJKSGUPXSA-N 0 0 340.448 3.609 10 0 EHAERN O=C([C@H]1CCC(=O)c2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000328798041 1022503880 /nfs/dbraw/zinc/50/38/80/1022503880.db2.gz FSRUDLJTSNBJLW-CJNGLKHVSA-N 0 0 340.448 3.609 10 0 EHAERN CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H]2CCCCNC2=O)s1 ZINC000328875623 1022522855 /nfs/dbraw/zinc/52/28/55/1022522855.db2.gz SERCEBGTJOWPAC-STQMWFEESA-N 0 0 337.489 3.680 10 0 EHAERN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1C ZINC000101735182 1022686639 /nfs/dbraw/zinc/68/66/39/1022686639.db2.gz SSCCEILOMHATBJ-MRXNPFEDSA-N 0 0 345.487 3.708 10 0 EHAERN Cc1ccc(C)c(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000101734897 1022687169 /nfs/dbraw/zinc/68/71/69/1022687169.db2.gz VPGXOQWLNCFGEM-MRXNPFEDSA-N 0 0 345.487 3.708 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCCSc1ccc(F)cc1 ZINC000588451387 1023007199 /nfs/dbraw/zinc/00/71/99/1023007199.db2.gz DQYLCWKOZJIPKR-KTKRTIGZSA-N 0 0 330.428 3.841 10 0 EHAERN Cc1cc(C)n(-c2cccc(NC(=O)/C=C\c3ncccc3C)c2)n1 ZINC000588452016 1023022095 /nfs/dbraw/zinc/02/20/95/1023022095.db2.gz LCQGLDNNJGWPJX-KTKRTIGZSA-N 0 0 332.407 3.844 10 0 EHAERN O=C(c1cccn1C1CCCC1)N1CCCCC[C@@H]1c1ncon1 ZINC000189635382 1023069677 /nfs/dbraw/zinc/06/96/77/1023069677.db2.gz YYEYAWBOYPXKLG-OAHLLOKOSA-N 0 0 328.416 3.744 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000588455626 1023071635 /nfs/dbraw/zinc/07/16/35/1023071635.db2.gz WIIDSWAFQNQDLD-YAINUAMHSA-N 0 0 338.451 3.551 10 0 EHAERN CC1(c2nc([C@@H]3CSc4ccccc4O3)no2)CCC(=O)CC1 ZINC000333894946 1023228215 /nfs/dbraw/zinc/22/82/15/1023228215.db2.gz ZRDHHKUZUMNWPK-ZDUSSCGKSA-N 0 0 330.409 3.696 10 0 EHAERN CCOc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000119547955 1033122449 /nfs/dbraw/zinc/12/24/49/1033122449.db2.gz GORHDNBUZWKUNM-IUODEOHRSA-N 0 0 347.440 3.536 10 0 EHAERN O=C(C/C=C\c1ccc(F)cc1)Nc1cccc2c1OCC[C@@H]2O ZINC000588479309 1023882090 /nfs/dbraw/zinc/88/20/90/1023882090.db2.gz UMZZVQIABNXVBG-MPXGXIRNSA-N 0 0 327.355 3.684 10 0 EHAERN CCC(C)(C)[C@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000133432056 1023983066 /nfs/dbraw/zinc/98/30/66/1023983066.db2.gz KFWFMGHPDXDIOF-QGZVFWFLSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1cccc([C@@H](C)NC(=O)N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000333656578 1024119578 /nfs/dbraw/zinc/11/95/78/1024119578.db2.gz LLBFUPRZMHDJJG-OAHLLOKOSA-N 0 0 338.407 3.639 10 0 EHAERN C[C@@H]1C[C@@H](c2nc([C@H]3CC(=O)N(CC4CC4)C3)no2)CC(C)(C)C1 ZINC000329739484 1024166177 /nfs/dbraw/zinc/16/61/77/1024166177.db2.gz UWNCMNMOAHFLCR-YUELXQCFSA-N 0 0 331.460 3.725 10 0 EHAERN Cc1nc2ccc(Br)cn2c1-c1nc([C@@H]2CC2(C)C)no1 ZINC000329749186 1024172880 /nfs/dbraw/zinc/17/28/80/1024172880.db2.gz HHQOXYMXUAULFK-JTQLQIEISA-N 0 0 347.216 3.969 10 0 EHAERN CC(C)c1cnc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)s1 ZINC000192393931 1024243458 /nfs/dbraw/zinc/24/34/58/1024243458.db2.gz FMGLEEDOZLUALK-CHWSQXEVSA-N 0 0 333.461 3.768 10 0 EHAERN CCO[C@H]1C[C@H](Nc2ccc(NC(=O)C(C)C)cc2)C12CCOCC2 ZINC000329910173 1024246810 /nfs/dbraw/zinc/24/68/10/1024246810.db2.gz NAHCJBKIRKMRHY-ROUUACIJSA-N 0 0 346.471 3.667 10 0 EHAERN O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000280924082 1024439813 /nfs/dbraw/zinc/43/98/13/1024439813.db2.gz BGQDTAMEUDROKO-WAPOTWQKSA-N 0 0 342.483 3.658 10 0 EHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000330360606 1025154208 /nfs/dbraw/zinc/15/42/08/1025154208.db2.gz XIZXGXVEUSCMGR-KFWWJZLASA-N 0 0 349.475 3.555 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000588499861 1025227420 /nfs/dbraw/zinc/22/74/20/1025227420.db2.gz JBUXPBHIWKOOGH-SSZFMOIBSA-N 0 0 338.451 3.505 10 0 EHAERN O=Cc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000121669795 1025636627 /nfs/dbraw/zinc/63/66/27/1025636627.db2.gz SFZQAWWYFCLMEG-LJQANCHMSA-N 0 0 334.350 3.553 10 0 EHAERN CC(C)C(=O)N1CCC(c2nc(CO[C@@H]3CCCC[C@H]3C)no2)CC1 ZINC000329549150 1025981585 /nfs/dbraw/zinc/98/15/85/1025981585.db2.gz BKRGXOUAGXXCEW-GDBMZVCRSA-N 0 0 349.475 3.527 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@H](C)OCc3ccccc3)c21 ZINC000103128154 1026065366 /nfs/dbraw/zinc/06/53/66/1026065366.db2.gz AIZOPTKLSOYUGS-INIZCTEOSA-N 0 0 336.435 3.740 10 0 EHAERN COCc1ccc(C(=O)NC[C@@H](C)CSc2ccccc2OC)o1 ZINC000103456154 1026087943 /nfs/dbraw/zinc/08/79/43/1026087943.db2.gz WZKORZSDLSFAED-CYBMUJFWSA-N 0 0 349.452 3.593 10 0 EHAERN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000122087642 1026177767 /nfs/dbraw/zinc/17/77/67/1026177767.db2.gz UGWZYPCCWCBEBE-CABCVRRESA-N 0 0 326.396 3.504 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccnc(Cl)c3)C2)cc1 ZINC000122100619 1026237720 /nfs/dbraw/zinc/23/77/20/1026237720.db2.gz DQZHUTQBEQTHGC-DOMZBBRYSA-N 0 0 330.815 3.762 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc2ccccc2cc1O ZINC000104906912 1026434385 /nfs/dbraw/zinc/43/43/85/1026434385.db2.gz NECWJYFVLQABMU-UHFFFAOYSA-N 0 0 335.403 3.869 10 0 EHAERN Cc1cccc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)oc21 ZINC000282002229 1026654927 /nfs/dbraw/zinc/65/49/27/1026654927.db2.gz KFUSRRJJKZXHRX-ZACQAIPSSA-N 0 0 327.424 3.897 10 0 EHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C ZINC000122831210 1026785567 /nfs/dbraw/zinc/78/55/67/1026785567.db2.gz HUUXWCJTVVABBV-AWEZNQCLSA-N 0 0 339.439 3.546 10 0 EHAERN CC(C)Cn1cnnc1[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000301387771 1026787868 /nfs/dbraw/zinc/78/78/68/1026787868.db2.gz WWJTXXFQCRRQKM-CYBMUJFWSA-N 0 0 339.365 3.689 10 0 EHAERN O=C(C/C=C\c1cccc(F)c1)Oc1ccc2c(c1)NC(=O)CC2 ZINC000588538186 1026934099 /nfs/dbraw/zinc/93/40/99/1026934099.db2.gz NQJZUADUJNVLDP-RQOWECAXSA-N 0 0 325.339 3.719 10 0 EHAERN Cc1cnn([C@H]2CCCN(Cc3c(Cl)n(C)nc3C(C)C)C2)c1 ZINC000123051514 1026944104 /nfs/dbraw/zinc/94/41/04/1026944104.db2.gz CKOIRGUWLGPYRJ-AWEZNQCLSA-N 0 0 335.883 3.539 10 0 EHAERN Cc1cccc2ncnc(N3CCC(c4noc(C5CC5)n4)CC3)c12 ZINC000302176471 1027079127 /nfs/dbraw/zinc/07/91/27/1027079127.db2.gz OKGFITYXAQELOI-UHFFFAOYSA-N 0 0 335.411 3.583 10 0 EHAERN c1cc(-c2nc(CN3CCC(Oc4ccccc4)CC3)no2)cs1 ZINC000125823745 1027130170 /nfs/dbraw/zinc/13/01/70/1027130170.db2.gz IGXVMQCMDBMWNZ-UHFFFAOYSA-N 0 0 341.436 3.842 10 0 EHAERN FC(F)(F)c1cnc(NCc2cccc(-c3nc[nH]n3)c2)s1 ZINC000302777797 1027286409 /nfs/dbraw/zinc/28/64/09/1027286409.db2.gz PNWLMSFUJPKFME-UHFFFAOYSA-N 0 0 325.319 3.559 10 0 EHAERN C[C@H](NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1nc2ccccc2[nH]1 ZINC000333561196 1027361142 /nfs/dbraw/zinc/36/11/42/1027361142.db2.gz QQWXYABDACOAFB-QMBIVWHFSA-N 0 0 338.455 3.702 10 0 EHAERN Cc1ccc(F)cc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000128811934 1027484886 /nfs/dbraw/zinc/48/48/86/1027484886.db2.gz JCIQDQHJMPIIFI-UHFFFAOYSA-N 0 0 333.432 3.986 10 0 EHAERN Cc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)sc1C ZINC000047329243 1027565709 /nfs/dbraw/zinc/56/57/09/1027565709.db2.gz XPAGAWHFLGUXDK-UHFFFAOYSA-N 0 0 339.420 3.676 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)N(C)CCc1ccc(F)cc1 ZINC000105044142 1027584459 /nfs/dbraw/zinc/58/44/59/1027584459.db2.gz BZTHNZABAZWYRI-UHFFFAOYSA-N 0 0 346.402 3.939 10 0 EHAERN COc1ccccc1CCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105084384 1027760826 /nfs/dbraw/zinc/76/08/26/1027760826.db2.gz CSVKYDVSZCWXAO-UHFFFAOYSA-N 0 0 342.439 3.985 10 0 EHAERN CC[C@H](C)CS(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000131498705 1027785310 /nfs/dbraw/zinc/78/53/10/1027785310.db2.gz WGRIALVSSZOGBP-NSHDSACASA-N 0 0 327.833 3.956 10 0 EHAERN Cc1csc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1 ZINC000246135486 1027802609 /nfs/dbraw/zinc/80/26/09/1027802609.db2.gz ALFMZHJVHXQVHQ-HIFRSBDPSA-N 0 0 343.279 3.848 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c2ccccc21 ZINC000246712344 1027890120 /nfs/dbraw/zinc/89/01/20/1027890120.db2.gz YABDXCVDWGOJRA-CLCXKQKWSA-N 0 0 338.455 3.558 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1cccs1 ZINC000111835766 1027936706 /nfs/dbraw/zinc/93/67/06/1027936706.db2.gz BHUPDTQZJZZVAC-GJZGRUSLSA-N 0 0 332.473 3.751 10 0 EHAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H](C)c3cc(C)oc3C)C2)c1 ZINC000111843646 1027937528 /nfs/dbraw/zinc/93/75/28/1027937528.db2.gz WADDNZOKSAFYIL-HOCLYGCPSA-N 0 0 330.432 3.509 10 0 EHAERN C[C@@H]1CN(c2ccc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)CCO1 ZINC000246206562 1027978753 /nfs/dbraw/zinc/97/87/53/1027978753.db2.gz WGMODGXVPVSQRJ-XWPNQZOQSA-N 0 0 342.483 3.671 10 0 EHAERN Cc1c2cccc(C)c2oc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246207350 1027993685 /nfs/dbraw/zinc/99/36/85/1027993685.db2.gz UZKQWPJQPIUJHC-BMGDILEWSA-N 0 0 325.408 3.737 10 0 EHAERN CCOc1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)ccc1C ZINC000133489904 1028039257 /nfs/dbraw/zinc/03/92/57/1028039257.db2.gz TXTHNPCXZQRDAC-GOSISDBHSA-N 0 0 329.396 3.509 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(Cl)c(F)c3)CCO2)o1 ZINC000153502931 1028041583 /nfs/dbraw/zinc/04/15/83/1028041583.db2.gz UDJRUUVYJRYGQL-HNNXBMFYSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(F)c(F)cc3Cl)CCO2)o1 ZINC000134128644 1028096027 /nfs/dbraw/zinc/09/60/27/1028096027.db2.gz RTUCYAGEVIRGRI-OAHLLOKOSA-N 0 0 341.741 3.733 10 0 EHAERN CCCCC[C@H](C)CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246353741 1028275274 /nfs/dbraw/zinc/27/52/74/1028275274.db2.gz GBNIIHLKHOBUJY-BQFCYCMXSA-N 0 0 334.504 3.595 10 0 EHAERN Cc1cc2cc(NC(=O)N3CC[C@@H](Oc4cccnc4)C3)ccc2[nH]1 ZINC000137390234 1028310306 /nfs/dbraw/zinc/31/03/06/1028310306.db2.gz TVMCWEBBXGHKQY-QGZVFWFLSA-N 0 0 336.395 3.557 10 0 EHAERN O=C(CCC1CCCCC1)N1CCC(NC(=O)c2cccs2)CC1 ZINC000056440384 1028323966 /nfs/dbraw/zinc/32/39/66/1028323966.db2.gz GJBKXVMNKXQUEB-UHFFFAOYSA-N 0 0 348.512 3.829 10 0 EHAERN CN1CC[C@@H](CNC(=O)Nc2c(F)cccc2F)c2ccccc21 ZINC000056541038 1028330828 /nfs/dbraw/zinc/33/08/28/1028330828.db2.gz PVDVRMYUNHXMOM-LBPRGKRZSA-N 0 0 331.366 3.710 10 0 EHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248427211 1028354596 /nfs/dbraw/zinc/35/45/96/1028354596.db2.gz ORPGHUUPIQUSAF-KODHJQJWSA-N 0 0 343.471 3.926 10 0 EHAERN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cocn2)s1 ZINC000588561401 1028398670 /nfs/dbraw/zinc/39/86/70/1028398670.db2.gz HHZACFLAXYALSH-WDZFZDKYSA-N 0 0 332.772 3.515 10 0 EHAERN Cc1ccc(C)c(OC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000060913924 1028419922 /nfs/dbraw/zinc/41/99/22/1028419922.db2.gz AGZAILDMALWSLF-UHFFFAOYSA-N 0 0 343.448 3.823 10 0 EHAERN COc1ccccc1[C@H]1CCCN1C(=O)N[C@@H](C)c1ccncc1 ZINC000069727903 1028438665 /nfs/dbraw/zinc/43/86/65/1028438665.db2.gz GMLVLMRYOCVYDO-WMLDXEAASA-N 0 0 325.412 3.698 10 0 EHAERN CCOC(=O)c1sc(NC(=O)[C@@H]2CCCc3cccnc32)cc1C ZINC000193804774 1028468279 /nfs/dbraw/zinc/46/82/79/1028468279.db2.gz RMGVITAOETXJPG-CYBMUJFWSA-N 0 0 344.436 3.687 10 0 EHAERN CC(C)(C)N(Cc1cccnc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000193847871 1028470079 /nfs/dbraw/zinc/47/00/79/1028470079.db2.gz LVMGNXVLRKHNDZ-SJPCQFCGSA-N 0 0 328.456 3.604 10 0 EHAERN O=C([C@H]1CCCc2cccnc21)N1CCCc2cc(F)c(F)cc21 ZINC000193988378 1028481394 /nfs/dbraw/zinc/48/13/94/1028481394.db2.gz CFKZAFHICVZNPQ-AWEZNQCLSA-N 0 0 328.362 3.759 10 0 EHAERN CCc1nnc(-c2cccc(NCc3ccc(O)c(OC)c3)c2)o1 ZINC000194976585 1028567664 /nfs/dbraw/zinc/56/76/64/1028567664.db2.gz ULXDSGKJZHPKJA-UHFFFAOYSA-N 0 0 325.368 3.625 10 0 EHAERN Cc1cccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c1C ZINC000195355155 1028599066 /nfs/dbraw/zinc/59/90/66/1028599066.db2.gz GEKWABYVJWUNBR-HNNXBMFYSA-N 0 0 329.469 3.578 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CCCc3cccnc32)n(Cc2ccccc2)n1 ZINC000195446603 1028611852 /nfs/dbraw/zinc/61/18/52/1028611852.db2.gz VYCBWGBLUKRXCV-GOSISDBHSA-N 0 0 346.434 3.693 10 0 EHAERN O=C(Nc1cc(F)ccc1OC(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246667981 1028675695 /nfs/dbraw/zinc/67/56/95/1028675695.db2.gz DCFLPGNSBPTROZ-LOWVWBTDSA-N 0 0 344.333 3.506 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246721647 1028682153 /nfs/dbraw/zinc/68/21/53/1028682153.db2.gz VFAXDXUJGAOJCG-CGTJXYLNSA-N 0 0 341.842 3.605 10 0 EHAERN CCCCc1nc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000247078813 1028742872 /nfs/dbraw/zinc/74/28/72/1028742872.db2.gz QHICGCARKCNPRZ-UONOGXRCSA-N 0 0 335.473 3.562 10 0 EHAERN COc1cccc([C@H](C)CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000247191940 1028756843 /nfs/dbraw/zinc/75/68/43/1028756843.db2.gz YJFLNIXJXYTHQY-JRJVTICQSA-N 0 0 343.467 3.653 10 0 EHAERN CCOC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000247512155 1028797045 /nfs/dbraw/zinc/79/70/45/1028797045.db2.gz JRZJXMUKTJQDRJ-HZPDHXFCSA-N 0 0 330.453 3.627 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cc2O1 ZINC000249046277 1028978847 /nfs/dbraw/zinc/97/88/47/1028978847.db2.gz FAPFQPGTQDRJPQ-NRTGNBEESA-N 0 0 346.427 3.663 10 0 EHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000249964007 1029031435 /nfs/dbraw/zinc/03/14/35/1029031435.db2.gz JWDFVBLGUQBZDG-CSMYWGQOSA-N 0 0 342.464 3.739 10 0 EHAERN COc1ccc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1O ZINC000245710702 1029105240 /nfs/dbraw/zinc/10/52/40/1029105240.db2.gz FVZWGCJTOKVWMP-YJYMSZOUSA-N 0 0 331.387 3.502 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@H]1C1CCCC1 ZINC000077854418 1029163622 /nfs/dbraw/zinc/16/36/22/1029163622.db2.gz WOKQSYWSSPKKKE-MOPGFXCFSA-N 0 0 330.472 3.517 10 0 EHAERN O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000252663029 1029220581 /nfs/dbraw/zinc/22/05/81/1029220581.db2.gz FNRUVCAFRDCURZ-SUHUHFCYSA-N 0 0 346.324 3.924 10 0 EHAERN COCc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000078185678 1029221797 /nfs/dbraw/zinc/22/17/97/1029221797.db2.gz YRVQUMLHYVYIRD-HNAYVOBHSA-N 0 0 339.435 3.860 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000245743125 1029226834 /nfs/dbraw/zinc/22/68/34/1029226834.db2.gz CFNBHNPBUMQLBM-NILFDRSVSA-N 0 0 337.872 3.749 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245755954 1029250064 /nfs/dbraw/zinc/25/00/64/1029250064.db2.gz DUYBKCWCCNXWCV-BRWVUGGUSA-N 0 0 330.428 3.553 10 0 EHAERN CC(C)OCc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245790751 1029305171 /nfs/dbraw/zinc/30/51/71/1029305171.db2.gz IPKYUODCJVKEDV-KZNAEPCWSA-N 0 0 344.455 3.691 10 0 EHAERN C[C@@H](c1cccnc1)N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155514579 1029573692 /nfs/dbraw/zinc/57/36/92/1029573692.db2.gz YWMVUHKRNUVXNW-AWEZNQCLSA-N 0 0 344.484 3.515 10 0 EHAERN C[C@@H]1COCCN1c1ccc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246079783 1029634605 /nfs/dbraw/zinc/63/46/05/1029634605.db2.gz GRJSTUURJHGJPR-ZWQIFLOQSA-N 0 0 330.472 3.527 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1SCCc2sccc21 ZINC000079898843 1029763687 /nfs/dbraw/zinc/76/36/87/1029763687.db2.gz QYTPFVGMLRDUQI-CQSZACIVSA-N 0 0 343.433 3.767 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cn1 ZINC000152658227 1029771385 /nfs/dbraw/zinc/77/13/85/1029771385.db2.gz QIEPGOFGYHNNJX-QZTJIDSGSA-N 0 0 338.455 3.689 10 0 EHAERN COCc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114808349 1029835850 /nfs/dbraw/zinc/83/58/50/1029835850.db2.gz YOVIQYHPMFTMTL-AWEZNQCLSA-N 0 0 331.441 3.701 10 0 EHAERN CCOc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114810776 1029837390 /nfs/dbraw/zinc/83/73/90/1029837390.db2.gz GFOPOWRKJUJXDB-CYBMUJFWSA-N 0 0 331.441 3.953 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3ccccc3C)CCO2)o1 ZINC000157275481 1030399405 /nfs/dbraw/zinc/39/94/05/1030399405.db2.gz NSUMQAOUKNAHDW-MAUKXSAKSA-N 0 0 328.412 3.741 10 0 EHAERN CCOc1ccc(C2=CCN(C(=O)c3ccc(C=O)cc3)CC2)cc1 ZINC000092539326 1030478334 /nfs/dbraw/zinc/47/83/34/1030478334.db2.gz NWLMYHXJLAVERX-UHFFFAOYSA-N 0 0 335.403 3.827 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(CN2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385843 1030595952 /nfs/dbraw/zinc/59/59/52/1030595952.db2.gz HRSKNTIBDTZNRS-ZBFHGGJFSA-N 0 0 344.480 3.813 10 0 EHAERN Cc1ccc(SCC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170632755 1030692903 /nfs/dbraw/zinc/69/29/03/1030692903.db2.gz SLKABPLAVUSOEW-UHFFFAOYSA-N 0 0 325.393 3.776 10 0 EHAERN COc1ccccc1COC1CCN(C(=O)N[C@@H](C)C(C)(C)C)CC1 ZINC000094038443 1030707711 /nfs/dbraw/zinc/70/77/11/1030707711.db2.gz MRDAAHVIQYDMRN-HNNXBMFYSA-N 0 0 348.487 3.820 10 0 EHAERN O=C(/C=C/c1c(F)cccc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000171641898 1030769818 /nfs/dbraw/zinc/76/98/18/1030769818.db2.gz IAQVEJXYVIJZAR-NNNHXZLVSA-N 0 0 334.391 3.841 10 0 EHAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171647149 1030772030 /nfs/dbraw/zinc/77/20/30/1030772030.db2.gz BLIMIUNBJPGYST-NSHDSACASA-N 0 0 336.844 3.825 10 0 EHAERN O=C(COc1ccccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000171646630 1030773168 /nfs/dbraw/zinc/77/31/68/1030773168.db2.gz ZMWWNCOUWKNQKB-LBPRGKRZSA-N 0 0 336.844 3.582 10 0 EHAERN COc1cccc(C2CCN(C(=O)N[C@H](C)c3nccs3)CC2)c1 ZINC000171562924 1030794374 /nfs/dbraw/zinc/79/43/74/1030794374.db2.gz AWCNQRKFWPUUCR-CYBMUJFWSA-N 0 0 345.468 3.802 10 0 EHAERN O=C(Cc1ccccc1Cl)N1CCC(Cc2ccccn2)CC1 ZINC000171609891 1030800710 /nfs/dbraw/zinc/80/07/10/1030800710.db2.gz BVEFHBDWDHCIQQ-UHFFFAOYSA-N 0 0 328.843 3.759 10 0 EHAERN O=C(c1ccc2ncsc2c1)N1CCC[C@H](c2nccs2)C1 ZINC000171723046 1030811168 /nfs/dbraw/zinc/81/11/68/1030811168.db2.gz WJUBQEACKNDQMD-LBPRGKRZSA-N 0 0 329.450 3.773 10 0 EHAERN C[C@@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccncc1 ZINC000171732021 1030812309 /nfs/dbraw/zinc/81/23/09/1030812309.db2.gz YJDDWTPLZGFJCX-CJNGLKHVSA-N 0 0 338.436 3.688 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000172041870 1030865109 /nfs/dbraw/zinc/86/51/09/1030865109.db2.gz HKQZAAVXUSBKES-ABKXIKBNSA-N 0 0 331.755 3.572 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000172221045 1030873415 /nfs/dbraw/zinc/87/34/15/1030873415.db2.gz SOCMKLFHYBLRAD-UKRRQHHQSA-N 0 0 343.452 3.556 10 0 EHAERN Cn1cccc1[C@H]1CCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000172251932 1030876010 /nfs/dbraw/zinc/87/60/10/1030876010.db2.gz CUBPRQAHKBFBGE-TZZQJPOUSA-N 0 0 331.419 3.950 10 0 EHAERN Cc1csc(C2CCN(Cc3cn4cc(C)ccc4n3)CC2)n1 ZINC000157832113 1030892537 /nfs/dbraw/zinc/89/25/37/1030892537.db2.gz VGBMXNGXLHMUIK-UHFFFAOYSA-N 0 0 326.469 3.787 10 0 EHAERN CC/C=C(\C)C(=O)N(CCOC)Cc1sccc1Br ZINC000588586343 1031094222 /nfs/dbraw/zinc/09/42/22/1031094222.db2.gz GPJKNXVFZKSGAP-VZUCSPMQSA-N 0 0 346.290 3.842 10 0 EHAERN CC(C)(Cc1nc([C@H]2CN3CCC[C@@H]3CO2)no1)C1CCCCC1 ZINC000329558058 1031102069 /nfs/dbraw/zinc/10/20/69/1031102069.db2.gz FGPGHFUBHKZADX-HZPDHXFCSA-N 0 0 333.476 3.754 10 0 EHAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000175702388 1031330770 /nfs/dbraw/zinc/33/07/70/1031330770.db2.gz MDQBWPQJZRJYTH-OALUTQOASA-N 0 0 348.406 3.728 10 0 EHAERN CCCO[C@H]1CCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)CC1 ZINC000176322018 1031425970 /nfs/dbraw/zinc/42/59/70/1031425970.db2.gz CFIKRDFJEGAXJQ-INIZCTEOSA-N 0 0 343.471 3.612 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)cc1 ZINC000116938108 1031479840 /nfs/dbraw/zinc/47/98/40/1031479840.db2.gz XAJQKDFVVVXABI-MRXNPFEDSA-N 0 0 339.439 3.704 10 0 EHAERN O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177772168 1031567078 /nfs/dbraw/zinc/56/70/78/1031567078.db2.gz AZRRVATWGLEZQJ-GOSISDBHSA-N 0 0 347.418 3.980 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1sc2ccccc2c1Cl ZINC000178300037 1031652736 /nfs/dbraw/zinc/65/27/36/1031652736.db2.gz WVEQGHOQISWAMH-XJKSGUPXSA-N 0 0 343.835 3.943 10 0 EHAERN CCC(CC)N(CC(C)C)C(=O)NCc1cccnc1-n1cccn1 ZINC000178533637 1031677766 /nfs/dbraw/zinc/67/77/66/1031677766.db2.gz CVWITXWYZHBVIA-UHFFFAOYSA-N 0 0 343.475 3.624 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3nc(C)sc3C)C2)cc1 ZINC000178682961 1031714324 /nfs/dbraw/zinc/71/43/24/1031714324.db2.gz VIADOPOILAFLSC-XHDPSFHLSA-N 0 0 330.453 3.787 10 0 EHAERN Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179359319 1031740808 /nfs/dbraw/zinc/74/08/08/1031740808.db2.gz RUYYQVQLEZDLBZ-ZDUSSCGKSA-N 0 0 345.472 3.595 10 0 EHAERN Cc1ccc(/C=C\CC(=O)Oc2ccc(-c3ncnn3C)cc2)cc1 ZINC000588587660 1031758852 /nfs/dbraw/zinc/75/88/52/1031758852.db2.gz JOGVADISIBVZDD-ARJAWSKDSA-N 0 0 333.391 3.799 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3ccc(Cl)s3)CCO2)o1 ZINC000179348974 1031770225 /nfs/dbraw/zinc/77/02/25/1031770225.db2.gz QXLFAXCGHZSRRL-GBXSZLQWSA-N 0 0 337.828 3.916 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Oc1cccc(Oc2ncccn2)c1 ZINC000117641937 1031785110 /nfs/dbraw/zinc/78/51/10/1031785110.db2.gz RRUHMLULDOBTFL-UGSOOPFHSA-N 0 0 348.358 3.739 10 0 EHAERN COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1O ZINC000180093125 1031841675 /nfs/dbraw/zinc/84/16/75/1031841675.db2.gz XTCGZURCDXREAA-HOCLYGCPSA-N 0 0 333.453 3.550 10 0 EHAERN CCCc1cnc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)s1 ZINC000180837851 1031912164 /nfs/dbraw/zinc/91/21/64/1031912164.db2.gz YMYLGXIOEJNPOR-AWEZNQCLSA-N 0 0 335.429 3.602 10 0 EHAERN C[C@]1(C(=O)N[C@H]2CCCOc3c(F)cccc32)CC1(Cl)Cl ZINC000181050675 1031942036 /nfs/dbraw/zinc/94/20/36/1031942036.db2.gz NJHHBQSLNWUKMV-SMDDNHRTSA-N 0 0 332.202 3.740 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000181450871 1032028025 /nfs/dbraw/zinc/02/80/25/1032028025.db2.gz YMZIYOJAQGZBRV-BEFAXECRSA-N 0 0 348.450 3.506 10 0 EHAERN C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525183 1033740931 /nfs/dbraw/zinc/74/09/31/1033740931.db2.gz ZTXLRCDEYFOHCP-CYBMUJFWSA-N 0 0 339.420 3.997 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000101526257 1033749543 /nfs/dbraw/zinc/74/95/43/1033749543.db2.gz KPUZXUVVZCKNIV-UHFFFAOYSA-N 0 0 335.363 3.647 10 0 EHAERN Cc1nnc([C@@H](NC(=O)C/C=C/c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000084757216 1033924216 /nfs/dbraw/zinc/92/42/16/1033924216.db2.gz NQKWWGZYTMVCBQ-YJJPMGAVSA-N 0 0 346.434 3.731 10 0 EHAERN CC(C)(C(=O)N1CCCN(C(=O)c2cccs2)CC1)C1CCCC1 ZINC000120784025 1034104975 /nfs/dbraw/zinc/10/49/75/1034104975.db2.gz MIIOFHZUFWJULZ-UHFFFAOYSA-N 0 0 348.512 3.639 10 0 EHAERN CCCn1nccc1NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000101814098 1034261548 /nfs/dbraw/zinc/26/15/48/1034261548.db2.gz XSUNDSZCXSUYDR-UHFFFAOYSA-N 0 0 326.425 3.977 10 0 EHAERN CCCCCCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185552719 1035494368 /nfs/dbraw/zinc/49/43/68/1035494368.db2.gz QZNQVHBWLAQSBQ-SFHVURJKSA-N 0 0 334.435 3.706 10 0 EHAERN Cc1ccccc1[C@@H](C)CC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186377993 1035648362 /nfs/dbraw/zinc/64/83/62/1035648362.db2.gz ZPNOHWLFXALJGJ-SFHVURJKSA-N 0 0 337.467 3.623 10 0 EHAERN O=C(C[C@H]1CCCc2ccccc21)N1CCCN(c2ccccn2)CC1 ZINC000186377379 1035649385 /nfs/dbraw/zinc/64/93/85/1035649385.db2.gz OVWFSKMASFUBAT-LJQANCHMSA-N 0 0 349.478 3.631 10 0 EHAERN C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186573320 1035660744 /nfs/dbraw/zinc/66/07/44/1035660744.db2.gz VLRXXPLZNHNRCT-IUODEOHRSA-N 0 0 330.432 3.706 10 0 EHAERN CCCC1(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CCC1 ZINC000186649195 1035679108 /nfs/dbraw/zinc/67/91/08/1035679108.db2.gz QRWVQUGDYWMYEM-UHFFFAOYSA-N 0 0 330.432 3.756 10 0 EHAERN Cc1cc2occ(C(=O)N3CCCN(c4ccccn4)CC3)c2cc1C ZINC000186739191 1035698752 /nfs/dbraw/zinc/69/87/52/1035698752.db2.gz UUCILRYIYWCKHS-UHFFFAOYSA-N 0 0 349.434 3.797 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCC[C@H]2CCCCO2)cs1 ZINC000187463002 1035825867 /nfs/dbraw/zinc/82/58/67/1035825867.db2.gz ULTGNHLBTCNNEQ-ZBFHGGJFSA-N 0 0 337.489 3.647 10 0 EHAERN O=C(C=Cc1ccc[nH]1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000187963281 1035874229 /nfs/dbraw/zinc/87/42/29/1035874229.db2.gz WZCMCEHHNHRRBO-SXSDINLZSA-N 0 0 346.434 3.824 10 0 EHAERN O=C(CC1CCC2(CC1)OCCO2)N1CC=C(c2cccs2)CC1 ZINC000188472855 1035942366 /nfs/dbraw/zinc/94/23/66/1035942366.db2.gz CXWMJJIMMQCKRP-UHFFFAOYSA-N 0 0 347.480 3.687 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)[C@@H]2C ZINC000188752160 1035977231 /nfs/dbraw/zinc/97/72/31/1035977231.db2.gz RDZAYGXSSCZDQG-MMQHEFTJSA-N 0 0 344.846 3.672 10 0 EHAERN Cc1cc(C)cc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000188756993 1035980256 /nfs/dbraw/zinc/98/02/56/1035980256.db2.gz URDVZTONKHOMSB-FYCOFBDGSA-N 0 0 338.455 3.635 10 0 EHAERN CCN(Cc1ncc(-c2ccccc2Cl)o1)C[C@@H](O)C(F)(F)F ZINC000189437467 1036075496 /nfs/dbraw/zinc/07/54/96/1036075496.db2.gz JIKLMPYFSBBTKF-CYBMUJFWSA-N 0 0 348.752 3.740 10 0 EHAERN O=C(Cc1c[nH]c2ccccc12)N1CC2(CCOCC2)c2ccccc21 ZINC000189781333 1036125261 /nfs/dbraw/zinc/12/52/61/1036125261.db2.gz XYYCLJBLRBLLQV-UHFFFAOYSA-N 0 0 346.430 3.805 10 0 EHAERN CC(C)c1ncc(C(=O)N2CC3(CCOCC3)c3ccccc32)s1 ZINC000189789540 1036128940 /nfs/dbraw/zinc/12/89/40/1036128940.db2.gz KMTWVVSBNDOSHR-UHFFFAOYSA-N 0 0 342.464 3.975 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)N(C)C2CCC(C)CC2)cs1 ZINC000189850302 1036156918 /nfs/dbraw/zinc/15/69/18/1036156918.db2.gz ROABPHCKJGBNPG-PGEKIEPBSA-N 0 0 335.517 3.626 10 0 EHAERN Cc1c(C(=O)N[C@H]2CCOc3c(C)cccc32)oc2c1C(=O)CCC2 ZINC000189945920 1036165030 /nfs/dbraw/zinc/16/50/30/1036165030.db2.gz JWYQDQXKGPOJNE-AWEZNQCLSA-N 0 0 339.391 3.669 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000189961897 1036167227 /nfs/dbraw/zinc/16/72/27/1036167227.db2.gz YWSZNXHWNALTGU-CJNGLKHVSA-N 0 0 340.427 3.808 10 0 EHAERN CCCCOc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c(O)c1 ZINC000190057916 1036190540 /nfs/dbraw/zinc/19/05/40/1036190540.db2.gz GSMDSTMNHRUDNN-GOSISDBHSA-N 0 0 340.423 3.943 10 0 EHAERN Cc1ccccc1C1(C(=O)N2CCC(Nc3nccs3)CC2)CC1 ZINC000190371565 1036229086 /nfs/dbraw/zinc/22/90/86/1036229086.db2.gz CLKSOEURMXJNLP-UHFFFAOYSA-N 0 0 341.480 3.586 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000190650456 1036271508 /nfs/dbraw/zinc/27/15/08/1036271508.db2.gz GMYBXFZNADFGAR-HNNXBMFYSA-N 0 0 343.448 3.968 10 0 EHAERN C[C@@H]1OCC[C@@]1(C)NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332854189 1036309404 /nfs/dbraw/zinc/30/94/04/1036309404.db2.gz HJVAHEKCJDVYJS-URLQWDBASA-N 0 0 344.455 3.690 10 0 EHAERN CCCn1cc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cn1 ZINC000191201769 1036348336 /nfs/dbraw/zinc/34/83/36/1036348336.db2.gz BEGMMSCZQCQQTH-CYBMUJFWSA-N 0 0 333.382 3.591 10 0 EHAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191208800 1036350753 /nfs/dbraw/zinc/35/07/53/1036350753.db2.gz NJVNPORFMPCTRB-JSGCOSHPSA-N 0 0 345.393 3.514 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c(Cl)n1 ZINC000191449575 1036385200 /nfs/dbraw/zinc/38/52/00/1036385200.db2.gz CMZJRBWYZKLTOO-CQSZACIVSA-N 0 0 330.815 3.914 10 0 EHAERN O[C@@H](CN1CC2(CCOCC2)c2ccccc21)c1cc(F)ccc1F ZINC000192286465 1036493273 /nfs/dbraw/zinc/49/32/73/1036493273.db2.gz JUPWNOIMVOSSCL-IBGZPJMESA-N 0 0 345.389 3.567 10 0 EHAERN CCc1cc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)n[nH]1 ZINC000102784926 1036656130 /nfs/dbraw/zinc/65/61/30/1036656130.db2.gz UFGHIFDVVPQWSS-UHFFFAOYSA-N 0 0 348.765 3.980 10 0 EHAERN Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c(Cl)c1 ZINC000103725709 1036933915 /nfs/dbraw/zinc/93/39/15/1036933915.db2.gz DRXYGHSXYGGSLS-UHFFFAOYSA-N 0 0 348.193 3.530 10 0 EHAERN O=C(c1cccc2ccccc21)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000104525757 1037056091 /nfs/dbraw/zinc/05/60/91/1037056091.db2.gz LXNNHCSXZRZHSP-DLBZAZTESA-N 0 0 341.476 3.967 10 0 EHAERN CC(C)NC(=O)CCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000104836359 1037113128 /nfs/dbraw/zinc/11/31/28/1037113128.db2.gz QAITXVOJKRXECR-SFHVURJKSA-N 0 0 336.863 3.602 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)NCc3cc(F)ccc3F)c2)no1 ZINC000105020012 1037128168 /nfs/dbraw/zinc/12/81/68/1037128168.db2.gz PDSFMEPGKPLLKN-UHFFFAOYSA-N 0 0 344.321 3.645 10 0 EHAERN O=C(N[C@@H]1CCCc2occc21)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000193542401 1037185977 /nfs/dbraw/zinc/18/59/77/1037185977.db2.gz JPRXYXKYGHSFKA-SCTDSRPQSA-N 0 0 325.408 3.941 10 0 EHAERN c1csc([C@H](NCc2nc(-c3ccoc3)no2)c2ccccc2)n1 ZINC000105607313 1037201358 /nfs/dbraw/zinc/20/13/58/1037201358.db2.gz FIELVQHOLMTSSX-OAHLLOKOSA-N 0 0 338.392 3.665 10 0 EHAERN COc1ccc(Cl)cc1CN(C)Cc1nc(-c2ccoc2)no1 ZINC000105607713 1037203053 /nfs/dbraw/zinc/20/30/53/1037203053.db2.gz WAAQJMZOWVEMGB-UHFFFAOYSA-N 0 0 333.775 3.624 10 0 EHAERN Cc1cc(NC(=O)[C@H](C)SCc2cc(F)cc3cccnc32)on1 ZINC000105629007 1037225488 /nfs/dbraw/zinc/22/54/88/1037225488.db2.gz WBEARMMTCSZOAK-NSHDSACASA-N 0 0 345.399 3.931 10 0 EHAERN CCOc1ccccc1CCC(=O)N(C)CCc1ccccc1OC ZINC000104457121 1037293918 /nfs/dbraw/zinc/29/39/18/1037293918.db2.gz JSPMADIBTNHBMI-UHFFFAOYSA-N 0 0 341.451 3.728 10 0 EHAERN CCCCCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164413516 1037497150 /nfs/dbraw/zinc/49/71/50/1037497150.db2.gz TZXWUERBRSYLSI-WBVHZDCISA-N 0 0 334.504 3.595 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000247055827 1037542153 /nfs/dbraw/zinc/54/21/53/1037542153.db2.gz VEPWCPVGRSIFKA-KRXQYRFLSA-N 0 0 341.455 3.738 10 0 EHAERN Cc1cccc(-c2noc(C[S@@](=O)CCCc3ccccc3)n2)c1 ZINC000105689893 1037605838 /nfs/dbraw/zinc/60/58/38/1037605838.db2.gz KMJMMRRFNDWUIH-XMMPIXPASA-N 0 0 340.448 3.927 10 0 EHAERN COc1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc(OC)c1 ZINC000114805081 1037810889 /nfs/dbraw/zinc/81/08/89/1037810889.db2.gz BQZUQODEYGRZQF-GFCCVEGCSA-N 0 0 347.440 3.572 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(F)cc3C)CC2)n1 ZINC000116997965 1037844800 /nfs/dbraw/zinc/84/48/00/1037844800.db2.gz KKTJSBQBHOLUQP-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN COCCOc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117719409 1037860022 /nfs/dbraw/zinc/86/00/22/1037860022.db2.gz JITNDEJQUBGVLA-UHFFFAOYSA-N 0 0 343.448 3.703 10 0 EHAERN CC[C@@H](NC(=O)NC[C@H]1CCCn2cc(C)nc21)c1ccc(C)cc1 ZINC000332691537 1037951285 /nfs/dbraw/zinc/95/12/85/1037951285.db2.gz SYDRGSJYTWFJFR-QZTJIDSGSA-N 0 0 340.471 3.828 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccncc3C)C2)cc1 ZINC000122049903 1037974809 /nfs/dbraw/zinc/97/48/09/1037974809.db2.gz HNLMTRAKZXZTGD-GDBMZVCRSA-N 0 0 325.412 3.809 10 0 EHAERN CC1(C)CCC(=CC(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000124609717 1038211359 /nfs/dbraw/zinc/21/13/59/1038211359.db2.gz USZIDAOCWZVWSH-WMZOPIPTSA-N 0 0 344.499 3.515 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(F)c(Cl)cc3F)CCO2)o1 ZINC000124723791 1038226887 /nfs/dbraw/zinc/22/68/87/1038226887.db2.gz KATSRHZOTOORCE-OAHLLOKOSA-N 0 0 341.741 3.733 10 0 EHAERN COc1ccc2oc(CN[C@@H](c3nnc(C)[nH]3)c3ccccc3)cc2c1 ZINC000124878249 1038248043 /nfs/dbraw/zinc/24/80/43/1038248043.db2.gz ZROYDWQIPIQSBA-LJQANCHMSA-N 0 0 348.406 3.747 10 0 EHAERN CC[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000117441260 1038949545 /nfs/dbraw/zinc/94/95/45/1038949545.db2.gz PSWOLKAJCUJQII-MRXNPFEDSA-N 0 0 343.471 3.967 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112890755 1039029805 /nfs/dbraw/zinc/02/98/05/1039029805.db2.gz FMESRTQOFPOHDM-CABCVRRESA-N 0 0 341.317 3.757 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000408407825 1039412205 /nfs/dbraw/zinc/41/22/05/1039412205.db2.gz XWUFUZZSUBMWKO-KEYYUXOJSA-N 0 0 343.471 3.634 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2ccccc21 ZINC000245701656 1039633502 /nfs/dbraw/zinc/63/35/02/1039633502.db2.gz VNQAZRZJHSWQCT-UQASEVPWSA-N 0 0 342.483 3.746 10 0 EHAERN Cc1cc2occ(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c2cc1C ZINC000151148911 1039755002 /nfs/dbraw/zinc/75/50/02/1039755002.db2.gz XBVZLXCUQIBANB-DYESRHJHSA-N 0 0 341.451 3.746 10 0 EHAERN CC[C@]1(C)CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000408418060 1039764050 /nfs/dbraw/zinc/76/40/50/1039764050.db2.gz YWJXJEWRLKLTOE-HXUWFJFHSA-N 0 0 343.471 3.967 10 0 EHAERN C[C@@H]1C[C@H](C(=O)NCC[C@H]2c3ccccc3NC2=O)CC(C)(C)C1 ZINC000245696557 1040369741 /nfs/dbraw/zinc/36/97/41/1040369741.db2.gz LDSZZWZSGKDTDD-YCPHGPKFSA-N 0 0 328.456 3.691 10 0 EHAERN O=C(NCc1ccc(C2CCC2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332989285 1040781629 /nfs/dbraw/zinc/78/16/29/1040781629.db2.gz HZTCLFSDYHNCQT-CTNGQTDRSA-N 0 0 342.483 3.791 10 0 EHAERN Cc1ccc(S(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000408097705 1041171501 /nfs/dbraw/zinc/17/15/01/1041171501.db2.gz MWUXMUWGIRHDKQ-OAHLLOKOSA-N 0 0 347.436 3.703 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000153041914 1041271948 /nfs/dbraw/zinc/27/19/48/1041271948.db2.gz CXTBEXHACSLUMF-HFTRVMKXSA-N 0 0 330.472 3.550 10 0 EHAERN CC(C)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nn1C(C)(C)C ZINC000121012826 1041402039 /nfs/dbraw/zinc/40/20/39/1041402039.db2.gz ZLQKLPWBKWHZIM-YWZLYKJASA-N 0 0 347.503 3.529 10 0 EHAERN O=C1Nc2ccccc2[C@H]1Cc1nc(CCCc2ccccc2)no1 ZINC000109575038 1041414201 /nfs/dbraw/zinc/41/42/01/1041414201.db2.gz HKVOUPDAIWGVEJ-MRXNPFEDSA-N 0 0 333.391 3.523 10 0 EHAERN CC[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1cccs1 ZINC000161728839 1042680936 /nfs/dbraw/zinc/68/09/36/1042680936.db2.gz NSWZICLSSAXQRM-AWEZNQCLSA-N 0 0 341.440 3.816 10 0 EHAERN COc1ccc(C)cc1[C@H](C)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162538148 1042736645 /nfs/dbraw/zinc/73/66/45/1042736645.db2.gz USEKJQVFTCTYKS-IFXJQAMLSA-N 0 0 336.439 3.870 10 0 EHAERN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N1CC[C@H]2CCC[C@H]21 ZINC000330294503 1042843278 /nfs/dbraw/zinc/84/32/78/1042843278.db2.gz FGSUVFXSANYWSC-IUODEOHRSA-N 0 0 345.830 3.724 10 0 EHAERN Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000122152120 1042864156 /nfs/dbraw/zinc/86/41/56/1042864156.db2.gz PVIAGGYPJUTKPW-HQRMLTQVSA-N 0 0 330.472 3.701 10 0 EHAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000408276415 1042931873 /nfs/dbraw/zinc/93/18/73/1042931873.db2.gz INXKBCCMQITQRE-GMKYHBBASA-N 0 0 342.487 3.587 10 0 EHAERN CCOCCCNC(=O)c1cccc(NC(=O)CCCC(C)(C)C)c1 ZINC000103381490 1135698691 /nfs/dbraw/zinc/69/86/91/1135698691.db2.gz KSIGXHDNVUJVOF-UHFFFAOYSA-N 0 0 348.487 3.998 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000104997315 1135899851 /nfs/dbraw/zinc/89/98/51/1135899851.db2.gz IRGYUYZVDWXSKF-UHFFFAOYSA-N 0 0 341.455 3.776 10 0 EHAERN Cc1ccccc1OCCCNC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000105284905 1135932375 /nfs/dbraw/zinc/93/23/75/1135932375.db2.gz LGGNZJXQDLVYLR-UHFFFAOYSA-N 0 0 347.846 3.654 10 0 EHAERN COC(=O)N(C)CCCC(=O)Oc1ccccc1-c1ccccc1 ZINC000105755819 1135969626 /nfs/dbraw/zinc/96/96/26/1135969626.db2.gz FKEJCEOZHJMIKI-UHFFFAOYSA-N 0 0 327.380 3.737 10 0 EHAERN CN(C)C(=O)c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000102850338 1137874165 /nfs/dbraw/zinc/87/41/65/1137874165.db2.gz CNOHFZVUCUJEOD-UHFFFAOYSA-N 0 0 340.423 3.566 10 0 EHAERN CC[C@@H](NC(=O)c1coc(Br)c1)c1nc(C)cs1 ZINC000104605395 1137878746 /nfs/dbraw/zinc/87/87/46/1137878746.db2.gz KKCDZKJGOBPVPB-SECBINFHSA-N 0 0 329.219 3.688 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCC1(c2ccccc2)CC1 ZINC000105099033 1137880148 /nfs/dbraw/zinc/88/01/48/1137880148.db2.gz IEXHNXXEOFWDRN-UHFFFAOYSA-N 0 0 337.467 3.778 10 0 EHAERN C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)c2nccn21 ZINC000333215209 1137958446 /nfs/dbraw/zinc/95/84/46/1137958446.db2.gz KXCGVGFLSPWZCE-XOKHGSTOSA-N 0 0 338.455 3.902 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)CC(C)(C)C1 ZINC000333726080 1138326178 /nfs/dbraw/zinc/32/61/78/1138326178.db2.gz ORTRTJYKLCWHRZ-QKPAOTATSA-N 0 0 333.476 3.925 10 0 EHAERN C[C@@H]1C[C@@H](c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)CC(C)(C)C1 ZINC000333726078 1138326195 /nfs/dbraw/zinc/32/61/95/1138326195.db2.gz ORTRTJYKLCWHRZ-LVQVYYBASA-N 0 0 333.476 3.925 10 0 EHAERN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333923029 1138347901 /nfs/dbraw/zinc/34/79/01/1138347901.db2.gz RXCXIEYNJIGPNO-IEZWGBDMSA-N 0 0 348.446 3.883 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000334117909 1138373089 /nfs/dbraw/zinc/37/30/89/1138373089.db2.gz ITMHLJPMYHOUPW-JWZBEHFJSA-N 0 0 336.863 3.531 10 0 EHAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000184583496 1140109886 /nfs/dbraw/zinc/10/98/86/1140109886.db2.gz IEAHWUIHFOCQAH-XJKSGUPXSA-N 0 0 343.431 3.741 10 0 EHAERN COc1ccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1F ZINC000186153897 1140188788 /nfs/dbraw/zinc/18/87/88/1140188788.db2.gz LDNYMMZCFGRECQ-HNNXBMFYSA-N 0 0 349.431 3.646 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCOc2ccccc2C)cs1 ZINC000186372034 1140200828 /nfs/dbraw/zinc/20/08/28/1140200828.db2.gz WFZOWAWHMMFWMW-INIZCTEOSA-N 0 0 345.468 3.685 10 0 EHAERN CCSc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)cn1 ZINC000187136647 1140240968 /nfs/dbraw/zinc/24/09/68/1140240968.db2.gz YIONKKTUEJMPLO-AWEZNQCLSA-N 0 0 333.482 3.936 10 0 EHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3csc(C)n3)[nH]n2)o1 ZINC000188120682 1140284366 /nfs/dbraw/zinc/28/43/66/1140284366.db2.gz RYJRCTDZEMUBBM-HNNXBMFYSA-N 0 0 342.424 3.720 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c(C)n1 ZINC000189141680 1140323544 /nfs/dbraw/zinc/32/35/44/1140323544.db2.gz UJQABQLDVMOSPV-AWEZNQCLSA-N 0 0 332.429 3.533 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000190142994 1140389605 /nfs/dbraw/zinc/38/96/05/1140389605.db2.gz YDIWFSVVXRGOFV-HFBAOOFYSA-N 0 0 335.835 3.597 10 0 EHAERN CCOc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)n[nH]2)cc1 ZINC000051315457 214087559 /nfs/dbraw/zinc/08/75/59/214087559.db2.gz CIECORJSDWHQDG-UHFFFAOYSA-N 0 0 325.343 3.867 10 0 EHAERN Nc1ccc([C@H](O)COc2ccc(Br)cc2Cl)cc1 ZINC000051325216 214088413 /nfs/dbraw/zinc/08/84/13/214088413.db2.gz WTZYJOZYNOVFOR-CYBMUJFWSA-N 0 0 342.620 3.797 10 0 EHAERN COc1ccc(CSc2cc(C)nn2C)cc1Br ZINC000052311558 214125621 /nfs/dbraw/zinc/12/56/21/214125621.db2.gz UTBOKQWCJQDDMP-UHFFFAOYSA-N 0 0 327.247 3.792 10 0 EHAERN COc1ccc(C[C@@H](O)Cc2sccc2Br)cc1 ZINC000053785685 214199247 /nfs/dbraw/zinc/19/92/47/214199247.db2.gz JHAHVXFWJBCDIH-LLVKDONJSA-N 0 0 327.243 3.665 10 0 EHAERN Nc1ccccc1NC(=O)CSc1cccc(Br)c1 ZINC000055306884 214304392 /nfs/dbraw/zinc/30/43/92/214304392.db2.gz CZYUCBMSOCGLRR-UHFFFAOYSA-N 0 0 337.242 3.762 10 0 EHAERN COc1ccc([C@@H](O)Cc2ccccc2Br)cc1F ZINC000055335160 214309322 /nfs/dbraw/zinc/30/93/22/214309322.db2.gz VSFNKUHRKGOWGT-AWEZNQCLSA-N 0 0 325.177 3.873 10 0 EHAERN O=C1[C@H]2CCCN2[C@@H](c2cccnc2)N1c1ccc(Cl)c(Cl)c1 ZINC000049669354 214026880 /nfs/dbraw/zinc/02/68/80/214026880.db2.gz YIFVYSKLNUMDFP-HZPDHXFCSA-N 0 0 348.233 3.898 10 0 EHAERN COc1ccc(CNC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1 ZINC000065030050 214822323 /nfs/dbraw/zinc/82/23/23/214822323.db2.gz NACGLADWEPBPTR-UHFFFAOYSA-N 0 0 332.403 3.996 10 0 EHAERN Cc1nc2ccccc2n(Cc2ccc(Br)s2)c1=O ZINC000048028184 213882871 /nfs/dbraw/zinc/88/28/71/213882871.db2.gz GEVGPNCTWIXVIA-UHFFFAOYSA-N 0 0 335.226 3.577 10 0 EHAERN CN(Cc1csc(Br)c1)c1ccc(CO)cc1F ZINC000042363004 213498874 /nfs/dbraw/zinc/49/88/74/213498874.db2.gz MPQPPXIVSSTNPA-UHFFFAOYSA-N 0 0 330.222 3.778 10 0 EHAERN Fc1cc(Br)ccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000042251440 213487937 /nfs/dbraw/zinc/48/79/37/213487937.db2.gz KLULOIRREXZLTR-GJZGRUSLSA-N 0 0 328.225 3.732 10 0 EHAERN CC(C)(C)c1cc(C[C@@H]2C[C@H](NC(=O)c3cccnc3)C2(C)C)no1 ZINC000067890224 215242849 /nfs/dbraw/zinc/24/28/49/215242849.db2.gz ONUCDCSZGFJWCR-ZBFHGGJFSA-N 0 0 341.455 3.754 10 0 EHAERN COC(=O)[C@@]1(Nc2ccccc2Br)CCC[C@H](C)C1 ZINC000104174487 219355633 /nfs/dbraw/zinc/35/56/33/219355633.db2.gz ZECUGPWHHQLABW-XHDPSFHLSA-N 0 0 326.234 3.983 10 0 EHAERN CCCCOC(=O)c1ccc(NC(=S)NC(=O)CCCC)cc1 ZINC000040898139 213398393 /nfs/dbraw/zinc/39/83/93/213398393.db2.gz GIQDTGDUHKTAFW-UHFFFAOYSA-N 0 0 336.457 3.647 10 0 EHAERN Nc1c(Nc2nccs2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040780911 213385973 /nfs/dbraw/zinc/38/59/73/213385973.db2.gz MKZARASWHVOSAN-UHFFFAOYSA-N 0 0 336.783 3.795 10 0 EHAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1cccnc1Cl ZINC000040800381 213387632 /nfs/dbraw/zinc/38/76/32/213387632.db2.gz CQFHPSUNFJSWCD-UHFFFAOYSA-N 0 0 348.744 3.873 10 0 EHAERN CCOc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040795675 213386721 /nfs/dbraw/zinc/38/67/21/213386721.db2.gz SQMLZEUQQNTJIF-UHFFFAOYSA-N 0 0 332.713 3.873 10 0 EHAERN Nc1c(Nc2ccccn2)ncnc1Oc1cccc2cccnc21 ZINC000040752128 213381304 /nfs/dbraw/zinc/38/13/04/213381304.db2.gz LBOKFYSSMPJLML-UHFFFAOYSA-N 0 0 330.351 3.538 10 0 EHAERN Nc1c(NNc2ccccc2)ncnc1Oc1cccc2cccnc21 ZINC000040752107 213381907 /nfs/dbraw/zinc/38/19/07/213381907.db2.gz XEKPNDPHFMZRDD-UHFFFAOYSA-N 0 0 344.378 3.838 10 0 EHAERN Nc1c(Nc2ccc3c(c2)OCO3)ncnc1NC1CCCCCC1 ZINC000040685119 213369788 /nfs/dbraw/zinc/36/97/88/213369788.db2.gz FEPLZWRWTIYSAM-UHFFFAOYSA-N 0 0 341.415 3.666 10 0 EHAERN CC(=O)c1cccc(Nc2ncnc(N3CCc4ccccc43)c2N)c1 ZINC000040687272 213369531 /nfs/dbraw/zinc/36/95/31/213369531.db2.gz RVZPTKJSKBBUHH-UHFFFAOYSA-N 0 0 345.406 3.699 10 0 EHAERN Cc1ccc(Cl)cc1Nc1ncnc(Oc2cccnc2)c1N ZINC000040705046 213371590 /nfs/dbraw/zinc/37/15/90/213371590.db2.gz QHHJMESYFCWLKO-UHFFFAOYSA-N 0 0 327.775 3.952 10 0 EHAERN CCOCCn1c(CCCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040204392 213281730 /nfs/dbraw/zinc/28/17/30/213281730.db2.gz VLZVFTSDMVODTE-UHFFFAOYSA-N 0 0 345.487 3.558 10 0 EHAERN C=CC(=O)NCCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040203630 213281564 /nfs/dbraw/zinc/28/15/64/213281564.db2.gz CYVRWFDYHFLROU-UHFFFAOYSA-N 0 0 347.462 3.855 10 0 EHAERN CC[C@@H](C)c1ccc(OC[C@@H](O)COCC(F)(F)C(F)F)cc1 ZINC000038877107 213230038 /nfs/dbraw/zinc/23/00/38/213230038.db2.gz CJBQJVABOFLHNY-YPMHNXCESA-N 0 0 338.341 3.857 10 0 EHAERN O=C(Cc1ccc(-c2ccc(F)cc2)nc1)NCc1cccc(F)c1 ZINC000038223759 213206067 /nfs/dbraw/zinc/20/60/67/213206067.db2.gz DTRALTHUPOZTDW-UHFFFAOYSA-N 0 0 338.357 3.886 10 0 EHAERN Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2Cl)c(Cl)c1 ZINC000038033771 213194843 /nfs/dbraw/zinc/19/48/43/213194843.db2.gz IGAGNABHYDZRSS-UHFFFAOYSA-N 0 0 331.224 3.685 10 0 EHAERN COc1ccc(N)cc1CNC(=O)c1c(Cl)cccc1Cl ZINC000038033346 213193714 /nfs/dbraw/zinc/19/37/14/213193714.db2.gz YATAVJGGMMANRY-UHFFFAOYSA-N 0 0 325.195 3.514 10 0 EHAERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1ccc(Br)s1 ZINC000038001696 213186156 /nfs/dbraw/zinc/18/61/56/213186156.db2.gz MEZYXKOOUJMGCI-MRVPVSSYSA-N 0 0 325.231 3.783 10 0 EHAERN Clc1nsnc1Oc1cccc(I)c1 ZINC000037981680 213181471 /nfs/dbraw/zinc/18/14/71/213181471.db2.gz POOABUZXAYCEDO-UHFFFAOYSA-N 0 0 338.557 3.588 10 0 EHAERN Clc1ccc(Oc2ccc(I)cc2)nn1 ZINC000037977865 213179616 /nfs/dbraw/zinc/17/96/16/213179616.db2.gz WAOWUXSTOGPUOL-UHFFFAOYSA-N 0 0 332.528 3.527 10 0 EHAERN COC(=O)[C@@H](Nc1ccc(Br)cc1)C1CCCCC1 ZINC000037960446 213176238 /nfs/dbraw/zinc/17/62/38/213176238.db2.gz SZUXQUKQJQUFDV-AWEZNQCLSA-N 0 0 326.234 3.983 10 0 EHAERN CCn1cc(Br)cc1C(=O)N[C@H](C)c1ccc(C)o1 ZINC000037844507 213169899 /nfs/dbraw/zinc/16/98/99/213169899.db2.gz SJXPIQMCEIZDMQ-SNVBAGLBSA-N 0 0 325.206 3.663 10 0 EHAERN CCCn1cc(NCc2ccc(Br)s2)ccc1=O ZINC000037774551 213165165 /nfs/dbraw/zinc/16/51/65/213165165.db2.gz MCMFZZFRFPNCNQ-UHFFFAOYSA-N 0 0 327.247 3.694 10 0 EHAERN Cc1cccc(Cn2c(C(=O)N3CCOCC3)cc3sccc32)c1 ZINC000037526040 213154220 /nfs/dbraw/zinc/15/42/20/213154220.db2.gz KWRWZZKYWRFLGC-UHFFFAOYSA-N 0 0 340.448 3.532 10 0 EHAERN CS(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000036247084 213078482 /nfs/dbraw/zinc/07/84/82/213078482.db2.gz UGBFZXGOVCRMFS-UHFFFAOYSA-N 0 0 329.343 3.672 10 0 EHAERN Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2F)c1 ZINC000034957187 213002306 /nfs/dbraw/zinc/00/23/06/213002306.db2.gz YUYYMYOKFHAFDL-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN O=C(c1ccccc1)c1ccc(Cn2sc(Cl)cc2=O)cc1 ZINC000034854191 212993025 /nfs/dbraw/zinc/99/30/25/212993025.db2.gz PQKLDKRHNUSOAJ-UHFFFAOYSA-N 0 0 329.808 3.843 10 0 EHAERN CC[C@@H](C)N1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCCCC1 ZINC000000427184 209591176 /nfs/dbraw/zinc/59/11/76/209591176.db2.gz GVMCRXKWXABDIJ-KDOFPFPSSA-N 0 0 328.456 3.821 10 0 EHAERN Cc1oc2ncnc(OCC(=O)Nc3ccc(F)cc3Cl)c2c1C ZINC000032996823 212886169 /nfs/dbraw/zinc/88/61/69/212886169.db2.gz FIQUULYTSSCMOM-UHFFFAOYSA-N 0 0 349.749 3.650 10 0 EHAERN CCn1cc(Br)cc1C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000036860002 213123688 /nfs/dbraw/zinc/12/36/88/213123688.db2.gz XTFRNYPYZSSAGY-GVXVVHGQSA-N 0 0 327.266 3.825 10 0 EHAERN COc1cc2c(cc1OC)CN(CC(=O)c1ccc(Cl)cc1)CC2 ZINC000072445823 216236359 /nfs/dbraw/zinc/23/63/59/216236359.db2.gz FMMMFJVTBUPPCJ-UHFFFAOYSA-N 0 0 345.826 3.598 10 0 EHAERN CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(C)o2)c(C)n1 ZINC000023305987 212367909 /nfs/dbraw/zinc/36/79/09/212367909.db2.gz QNSLKNCOIHJKSY-ZDUSSCGKSA-N 0 0 333.457 3.527 10 0 EHAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000022705323 212319097 /nfs/dbraw/zinc/31/90/97/212319097.db2.gz MJRQIUOJZABSPX-DYVFJYSZSA-N 0 0 328.387 3.609 10 0 EHAERN Cc1noc(-c2cccnc2)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000022661460 212314885 /nfs/dbraw/zinc/31/48/85/212314885.db2.gz IDSWJDYHAXVISX-KRWDZBQOSA-N 0 0 333.391 3.852 10 0 EHAERN Nc1cc(F)ccc1NC(=O)c1ccc(F)cc1Br ZINC000022144447 212279699 /nfs/dbraw/zinc/27/96/99/212279699.db2.gz SAUJTAYJKSAUPC-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000022067674 212275346 /nfs/dbraw/zinc/27/53/46/212275346.db2.gz NXWMDDXKPLQIKA-GUYCJALGSA-N 0 0 328.387 3.609 10 0 EHAERN Fc1c(Cl)cc(Br)cc1I ZINC000221263174 241461378 /nfs/dbraw/zinc/46/13/78/241461378.db2.gz PJBPGGLTSPFQQW-UHFFFAOYSA-N 0 0 335.341 3.846 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3[nH]2)C1)c1ccccc1 ZINC000021159056 212213043 /nfs/dbraw/zinc/21/30/43/212213043.db2.gz IBTVPYZZBPIXRD-DOTOQJQBSA-N 0 0 348.450 3.657 10 0 EHAERN COc1ccc(-c2nc3cc(NC(=O)[C@H]4CCCO4)ccc3o2)cc1 ZINC000021143381 212211731 /nfs/dbraw/zinc/21/17/31/212211731.db2.gz SNLOBCHKIKZRMC-QGZVFWFLSA-N 0 0 338.363 3.621 10 0 EHAERN COc1cccc([C@@H](CC(=O)Nc2nc(C)cs2)n2cccc2)c1 ZINC000020998306 212198172 /nfs/dbraw/zinc/19/81/72/212198172.db2.gz NGTYHSZZGSGOGC-MRXNPFEDSA-N 0 0 341.436 3.880 10 0 EHAERN COc1ccc(/C=C(\C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000020529936 212143407 /nfs/dbraw/zinc/14/34/07/212143407.db2.gz SWUHAJHAXLJFDF-HZQOKBKYSA-N 0 0 337.419 3.531 10 0 EHAERN NC(=S)c1ccc(Nc2ccc(F)cc2Br)cc1 ZINC000020430958 212127614 /nfs/dbraw/zinc/12/76/14/212127614.db2.gz WKLFBAPZXAUTKU-UHFFFAOYSA-N 0 0 325.206 3.966 10 0 EHAERN Cc1cccc(N2C[C@H](C(=O)n3cnc4cc(C)c(C)cc43)CC2=O)c1 ZINC000020372627 212123570 /nfs/dbraw/zinc/12/35/70/212123570.db2.gz IPRWFBDUFJVKGH-MRXNPFEDSA-N 0 0 347.418 3.655 10 0 EHAERN O=C1c2cc(Br)ccc2N(CCCc2ccccc2)C1=O ZINC000019966842 212091813 /nfs/dbraw/zinc/09/18/13/212091813.db2.gz WENARGPWNOPXGE-UHFFFAOYSA-N 0 0 344.208 3.611 10 0 EHAERN Nc1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCCC1 ZINC000040724351 213375876 /nfs/dbraw/zinc/37/58/76/213375876.db2.gz JDCWUJAJULIXEN-UHFFFAOYSA-N 0 0 346.438 3.824 10 0 EHAERN NC(=S)CCN(c1ccccc1)c1ccc(Br)cn1 ZINC000019480676 212031263 /nfs/dbraw/zinc/03/12/63/212031263.db2.gz USAMPWDYYDQKRL-UHFFFAOYSA-N 0 0 336.258 3.658 10 0 EHAERN NC(=S)c1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000019484110 212032185 /nfs/dbraw/zinc/03/21/85/212032185.db2.gz IHQAJXZCRSRGQZ-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN NC(=S)c1cccc(COc2ccc(F)cc2Br)c1 ZINC000019437040 212028680 /nfs/dbraw/zinc/02/86/80/212028680.db2.gz ZJWDZCIVUWKFDA-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN COc1ccc(Br)cc1CSc1ncccc1N ZINC000049596397 214021522 /nfs/dbraw/zinc/02/15/22/214021522.db2.gz CYQUWECLCTUXGZ-UHFFFAOYSA-N 0 0 325.231 3.727 10 0 EHAERN COc1ccc(OCc2cc(F)ccc2Br)c(N)c1 ZINC000019267022 212010584 /nfs/dbraw/zinc/01/05/84/212010584.db2.gz XKCRWJMLEQRYST-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN CCOc1ccccc1NC(=S)N1CCn2c3ccccc3nc21 ZINC000018921912 211996106 /nfs/dbraw/zinc/99/61/06/211996106.db2.gz RWZHVNFQBPJAHA-UHFFFAOYSA-N 0 0 338.436 3.652 10 0 EHAERN C[C@H](Cc1cc(C(=O)N(C)CCc2ccccn2)on1)c1ccccc1 ZINC000012218539 211322613 /nfs/dbraw/zinc/32/26/13/211322613.db2.gz FGQJRJTXUZYMAS-MRXNPFEDSA-N 0 0 349.434 3.731 10 0 EHAERN COc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1 ZINC000009687595 211113424 /nfs/dbraw/zinc/11/34/24/211113424.db2.gz WNYQLGJCCYSYPX-UHFFFAOYSA-N 0 0 339.420 3.508 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1cncs1 ZINC000095086410 218277548 /nfs/dbraw/zinc/27/75/48/218277548.db2.gz STKNZGAIESBTDA-CYBMUJFWSA-N 0 0 326.462 3.839 10 0 EHAERN COc1ccc(-c2cc3ncnc(NC[C@@H]4CCCO4)c3s2)cc1 ZINC000008327777 210936697 /nfs/dbraw/zinc/93/66/97/210936697.db2.gz CDRITBZDPCYBEF-AWEZNQCLSA-N 0 0 341.436 3.958 10 0 EHAERN O=C(/C=C/c1ccccc1Br)NCc1ccc(F)cc1 ZINC000007345666 210786953 /nfs/dbraw/zinc/78/69/53/210786953.db2.gz ZGYIOLWSEQKJRE-JXMROGBWSA-N 0 0 334.188 3.918 10 0 EHAERN CSCC[C@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1cccc1 ZINC000334161427 258016030 /nfs/dbraw/zinc/01/60/30/258016030.db2.gz ZJUWQOQGGKBHBA-CZUORRHYSA-N 0 0 342.468 3.536 10 0 EHAERN CSCC[C@@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1cccc1 ZINC000334161426 258016075 /nfs/dbraw/zinc/01/60/75/258016075.db2.gz ZJUWQOQGGKBHBA-CJNGLKHVSA-N 0 0 342.468 3.536 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)N3CCCc4ccccc43)CC2=O)c1 ZINC000020373492 135720454 /nfs/dbraw/zinc/72/04/54/135720454.db2.gz ISNHGOUBKXUZOX-SFHVURJKSA-N 0 0 348.446 3.636 10 0 EHAERN COC(=O)c1occc1CN[C@H](C)c1ccccc1Br ZINC000035055197 522416632 /nfs/dbraw/zinc/41/66/32/522416632.db2.gz UHWMGDYTOZXLBK-SNVBAGLBSA-N 0 0 338.201 3.680 10 0 EHAERN COc1ccc([C@H](O)C(F)(F)F)cc1OC(=O)c1ccccc1 ZINC000091364326 525376394 /nfs/dbraw/zinc/37/63/94/525376394.db2.gz JXIWNASEUXFXPU-AWEZNQCLSA-N 0 0 326.270 3.510 10 0 EHAERN COc1ccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1 ZINC000001689560 563982911 /nfs/dbraw/zinc/98/29/11/563982911.db2.gz OMDCUJKKOPRIEC-NRFANRHFSA-N 0 0 331.371 3.549 10 0 EHAERN CCOc1cc(C)c(NC(=O)[C@@H]2CCC(=O)c3cccn32)cc1C ZINC000575603721 564082319 /nfs/dbraw/zinc/08/23/19/564082319.db2.gz RRJNPZNRWUCLTG-INIZCTEOSA-N 0 0 326.396 3.660 10 0 EHAERN Cc1cc2ccccc2n1-c1ccc(C(=O)NC[C@H]2CCCO2)s1 ZINC000006914106 564101256 /nfs/dbraw/zinc/10/12/56/564101256.db2.gz IBARYKVVOGTVIK-OAHLLOKOSA-N 0 0 340.448 3.909 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1noc3c1CCCC3)CCCC2 ZINC000328627418 564137006 /nfs/dbraw/zinc/13/70/06/564137006.db2.gz GBYLPWKVQVSYIF-GOSISDBHSA-N 0 0 340.471 3.503 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1ccc(Cl)cn1)CCCC2 ZINC000328639831 564137146 /nfs/dbraw/zinc/13/71/46/564137146.db2.gz PQZJQYBGVBGVSQ-QGZVFWFLSA-N 0 0 330.863 3.684 10 0 EHAERN CCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685962099 564177252 /nfs/dbraw/zinc/17/72/52/564177252.db2.gz UMIXXVWGASKUEK-PBHICJAKSA-N 0 0 335.444 3.854 10 0 EHAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)CCCOCc1ccccc1 ZINC000405726804 564177588 /nfs/dbraw/zinc/17/75/88/564177588.db2.gz RVCTWXGLANYMAW-UHFFFAOYSA-N 0 0 335.444 3.856 10 0 EHAERN Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)c1Br ZINC000719576527 955170208 /nfs/dbraw/zinc/17/02/08/955170208.db2.gz HFWRLWMPUCVTCV-HZMBPMFUSA-N 0 0 340.261 3.609 10 0 EHAERN O=C([O-])[C@]12C[N@H+](Cc3sccc3Br)C[C@H]1CCCC2 ZINC000715784756 977785798 /nfs/dbraw/zinc/78/57/98/977785798.db2.gz DRKOVQVJTUPXSX-QMTHXVAHSA-N 0 0 344.274 3.587 10 0 EHAERN C[C@@]1(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)CC1(Cl)Cl ZINC000182822743 1032100033 /nfs/dbraw/zinc/10/00/33/1032100033.db2.gz JOYUJNWDMZPBAL-RISCZKNCSA-N 0 0 332.202 3.740 10 0 EHAERN Cc1nc([C@H](C)N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cs1 ZINC000330134789 1014708549 /nfs/dbraw/zinc/70/85/49/1014708549.db2.gz SEHNIJHXYGAHGD-UVBJJODRSA-N 0 0 341.436 3.680 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000246294448 1015947143 /nfs/dbraw/zinc/94/71/43/1015947143.db2.gz BFWQPLMGCUTHDV-QGPMSJSTSA-N 0 0 343.471 3.502 10 0 EHAERN O=C(Nc1cccc2c1CCCC2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000152185958 1016073543 /nfs/dbraw/zinc/07/35/43/1016073543.db2.gz BAOHUWFGXDKXTN-OXJNMPFZSA-N 0 0 328.456 3.724 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000177987035 1016506857 /nfs/dbraw/zinc/50/68/57/1016506857.db2.gz FTJLRQMAWSEDGR-SJKOYZFVSA-N 0 0 339.888 3.829 10 0 EHAERN C[C@H]1CCCN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[C@H]1C ZINC000407962541 1016513467 /nfs/dbraw/zinc/51/34/67/1016513467.db2.gz MZDKQKHGCBWRHG-RYUDHWBXSA-N 0 0 337.851 3.694 10 0 EHAERN COC(=O)c1c(NC(=O)N2C[C@@H]3CCC[C@@H]32)sc2c1CCCCC2 ZINC000407967043 1016542409 /nfs/dbraw/zinc/54/24/09/1016542409.db2.gz BTVMPOYCZUVYFT-AAEUAGOBSA-N 0 0 348.468 3.820 10 0 EHAERN O=C(C/C=C\c1cccc(F)c1)n1ccc(=NCC(F)(F)F)cc1 ZINC000588383037 1016636988 /nfs/dbraw/zinc/63/69/88/1016636988.db2.gz GRHFIHZCHBWKAQ-RQOWECAXSA-N 0 0 338.304 3.834 10 0 EHAERN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000180566325 1016908204 /nfs/dbraw/zinc/90/82/04/1016908204.db2.gz YGOLDUOJBOSSLF-VGOVLVCLSA-N 0 0 338.398 3.673 10 0 EHAERN Cc1c([C@@H](C)NCc2ncc(-c3ccccc3Cl)o2)cnn1C ZINC000183432560 1032170329 /nfs/dbraw/zinc/17/03/29/1032170329.db2.gz BLZCVWFVRAVCEV-LLVKDONJSA-N 0 0 330.819 3.888 10 0 EHAERN C[C@H]1C[C@@H](C(=O)N2CCC(Cc3nccn3C)CC2)CC(C)(C)C1 ZINC000184242314 1032276431 /nfs/dbraw/zinc/27/64/31/1032276431.db2.gz WYIITWJHLWEEKO-DOTOQJQBSA-N 0 0 331.504 3.664 10 0 EHAERN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000332932548 1017273648 /nfs/dbraw/zinc/27/36/48/1017273648.db2.gz ZFMGDWCBIUEKML-NBOOPKSLSA-N 0 0 347.503 3.559 10 0 EHAERN C[C@]1(CNC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CCCS1 ZINC000333244616 1018958224 /nfs/dbraw/zinc/95/82/24/1018958224.db2.gz QRDUZHCHVBPEBW-DVOMOZLQSA-N 0 0 340.514 3.553 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c2ccccc21 ZINC000269873698 1019465355 /nfs/dbraw/zinc/46/53/55/1019465355.db2.gz VXBLLZLDICZTBR-RVKKMQEKSA-N 0 0 338.455 3.937 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000588389554 1020064250 /nfs/dbraw/zinc/06/42/50/1020064250.db2.gz PLAOBHALYHERMH-VLRJHWBUSA-N 0 0 335.375 3.744 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000588397434 1020444523 /nfs/dbraw/zinc/44/45/23/1020444523.db2.gz PWFDHYZIMQSNIE-TXQCQQFXSA-N 0 0 346.434 3.856 10 0 EHAERN O=C(Nc1ccc2c(n1)CCC2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000333715028 1021935200 /nfs/dbraw/zinc/93/52/00/1021935200.db2.gz UHMNNHAYVWXXBT-NWDGAFQWSA-N 0 0 327.350 3.813 10 0 EHAERN CC/C(=C/C(=O)NCc1nnc(C2CCC2)n1C)c1ccc(C)cc1 ZINC000588433296 1022086238 /nfs/dbraw/zinc/08/62/38/1022086238.db2.gz DUZGQFPQGXFWCA-QINSGFPZSA-N 0 0 338.455 3.501 10 0 EHAERN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128214132 1022418673 /nfs/dbraw/zinc/41/86/73/1022418673.db2.gz WOPQFCJXPHIJJD-CZUORRHYSA-N 0 0 342.361 3.864 10 0 EHAERN COc1ccc(OC)c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 ZINC000333863550 1022439986 /nfs/dbraw/zinc/43/99/86/1022439986.db2.gz SFZXNXUXKYTAGS-CFLYGVGMSA-N 0 0 330.428 3.604 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc3nc(C)[nH]c32)C12CCCC2 ZINC000328723039 1022463217 /nfs/dbraw/zinc/46/32/17/1022463217.db2.gz XUYUBHIGPVHQOY-IAGOWNOFSA-N 0 0 341.455 3.681 10 0 EHAERN C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)/C=C\c2ccncn2)C1 ZINC000588442097 1022465566 /nfs/dbraw/zinc/46/55/66/1022465566.db2.gz WLBZMTIFFUVMOI-FHMRSRPSSA-N 0 0 345.855 3.918 10 0 EHAERN COc1ccccc1NC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000101603926 1022567626 /nfs/dbraw/zinc/56/76/26/1022567626.db2.gz FLTCDGBOVVTGFT-UHFFFAOYSA-N 0 0 328.412 3.985 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)Cc2nc(-c3ccsc3)no2)C12CCCC2 ZINC000121209772 1022631262 /nfs/dbraw/zinc/63/12/62/1022631262.db2.gz HCCIWHOPNKXDEA-HUUCEWRRSA-N 0 0 347.484 3.968 10 0 EHAERN CN(CC(=O)NC(C)(C)C)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000101751972 1022698465 /nfs/dbraw/zinc/69/84/65/1022698465.db2.gz HGNBHHHXODWOHA-UHFFFAOYSA-N 0 0 345.468 3.794 10 0 EHAERN CC1(C)C[C@H](NC(=O)c2noc3c2CCCC3)c2ccccc2O1 ZINC000121807443 1022796479 /nfs/dbraw/zinc/79/64/79/1022796479.db2.gz WCQKUGORLYWDLG-AWEZNQCLSA-N 0 0 326.396 3.586 10 0 EHAERN CCOC(=O)c1sc(NC(=O)/C=C\c2ncccc2C)cc1C ZINC000588451253 1023010982 /nfs/dbraw/zinc/01/09/82/1023010982.db2.gz FDKKHYRAARZDON-FPLPWBNLSA-N 0 0 330.409 3.589 10 0 EHAERN C[C@@H](NC(=O)N(C)[C@H](C)c1cnn(C)c1)c1nc(C(C)(C)C)cs1 ZINC000180621642 1023296207 /nfs/dbraw/zinc/29/62/07/1023296207.db2.gz RBZBWFFBWTYVHR-VXGBXAGGSA-N 0 0 349.504 3.638 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000091153796 1023296519 /nfs/dbraw/zinc/29/65/19/1023296519.db2.gz USBUEQHDKPKOKK-HOCLYGCPSA-N 0 0 336.794 3.684 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)CC2)cn1 ZINC000247435253 1023956528 /nfs/dbraw/zinc/95/65/28/1023956528.db2.gz WZXQGHWOCZTIPZ-IIDMSEBBSA-N 0 0 332.492 3.617 10 0 EHAERN Cc1cc(CNC(=O)N[C@H]2CCCc3c(O)cccc32)ccc1F ZINC000190673883 1023957402 /nfs/dbraw/zinc/95/74/02/1023957402.db2.gz XCBIARQKWAAMFU-KRWDZBQOSA-N 0 0 328.387 3.717 10 0 EHAERN C[C@H]1CC(c2noc(-c3cnc4c(c3)NC(=O)CO4)n2)C[C@H](C)C1 ZINC000329737157 1024166760 /nfs/dbraw/zinc/16/67/60/1024166760.db2.gz SXRBSFUNIHIFGY-NXEZZACHSA-N 0 0 328.372 3.652 10 0 EHAERN C[C@H](c1nc(C2C[C@H](C)C[C@@H](C)C2)no1)n1nnnc1C(C)(C)C ZINC000329740806 1024171279 /nfs/dbraw/zinc/17/12/79/1024171279.db2.gz VOMUKJGJSQOORX-IJLUTSLNSA-N 0 0 332.452 3.503 10 0 EHAERN C[C@H](c1nc([C@H]2C[C@H](C)C[C@H](C)C2)no1)n1nnnc1C(C)(C)C ZINC000329740811 1024171702 /nfs/dbraw/zinc/17/17/02/1024171702.db2.gz VOMUKJGJSQOORX-XQHKEYJVSA-N 0 0 332.452 3.503 10 0 EHAERN C[C@@H]1C[C@H](C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC(C)(C)C1 ZINC000329861873 1024228217 /nfs/dbraw/zinc/22/82/17/1024228217.db2.gz QOVDZASBBPGDNS-ILXRZTDVSA-N 0 0 333.476 3.715 10 0 EHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000329936794 1024256449 /nfs/dbraw/zinc/25/64/49/1024256449.db2.gz RTRHNMJPJVEMSB-CZUORRHYSA-N 0 0 340.452 3.952 10 0 EHAERN COc1cccc(C)c1NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000195016132 1024480858 /nfs/dbraw/zinc/48/08/58/1024480858.db2.gz ZAQSMEBUOQYHQR-HNNXBMFYSA-N 0 0 326.396 3.908 10 0 EHAERN Cc1ccc(C[C@H]2CCCN2C(=O)N[C@H](C)c2nccs2)cc1 ZINC000113390324 1025170895 /nfs/dbraw/zinc/17/08/95/1025170895.db2.gz JFQZKIQUDSNKMG-GDBMZVCRSA-N 0 0 329.469 3.929 10 0 EHAERN CC(C)(C(=O)Nc1ccc(F)cn1)c1cccc(Br)c1 ZINC000103013814 1025603402 /nfs/dbraw/zinc/60/34/02/1025603402.db2.gz NKLYDUOOUNWUQE-UHFFFAOYSA-N 0 0 337.192 3.900 10 0 EHAERN CC(C)C[C@H]1C(=O)NCCCN1C(=O)[C@@H](C)OC1CCCCCC1 ZINC000329258191 1025698611 /nfs/dbraw/zinc/69/86/11/1025698611.db2.gz CGSSPSHKBSRBJK-WBVHZDCISA-N 0 0 338.492 3.718 10 0 EHAERN O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]1c1ccco1 ZINC000121790481 1025775836 /nfs/dbraw/zinc/77/58/36/1025775836.db2.gz QDTVGBSZIKCDCR-KGLIPLIRSA-N 0 0 339.313 3.641 10 0 EHAERN CN(C[C@@H]1CCCO1)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000588511070 1025778154 /nfs/dbraw/zinc/77/81/54/1025778154.db2.gz MYEXUKFPBKLCJL-FYQHACEVSA-N 0 0 347.764 3.923 10 0 EHAERN C[C@H]1C[C@H](c2noc(CN3C(=O)COc4ccccc43)n2)C[C@@H](C)C1 ZINC000329547680 1025982467 /nfs/dbraw/zinc/98/24/67/1025982467.db2.gz BAEOJRHDHMRPKG-WDNDVIMCSA-N 0 0 341.411 3.535 10 0 EHAERN CC(C)c1nnc([C@@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)[nH]1 ZINC000329602302 1026059023 /nfs/dbraw/zinc/05/90/23/1026059023.db2.gz KVWYPMVMGBHICM-IRXDYDNUSA-N 0 0 338.455 3.712 10 0 EHAERN COc1cccc(N2CC[C@@H](CNC(=O)CCCC(C)(C)C)C2)c1 ZINC000103434358 1026086601 /nfs/dbraw/zinc/08/66/01/1026086601.db2.gz WHMAFMYFWJMPDT-INIZCTEOSA-N 0 0 332.488 3.854 10 0 EHAERN Cc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000103860106 1026129009 /nfs/dbraw/zinc/12/90/09/1026129009.db2.gz RXCUBGLBTXQDFU-GOSISDBHSA-N 0 0 327.403 3.870 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(Cl)cc3F)CCO2)o1 ZINC000152963579 1026894675 /nfs/dbraw/zinc/89/46/75/1026894675.db2.gz VHEXBFWRXOGMHN-HNNXBMFYSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CCC4)CCO2)o1 ZINC000153045868 1026970310 /nfs/dbraw/zinc/97/03/10/1026970310.db2.gz YTAOPJVLJSUHEE-SFHVURJKSA-N 0 0 326.396 3.682 10 0 EHAERN CCc1c(Cl)nc(C)nc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302153740 1027072788 /nfs/dbraw/zinc/07/27/88/1027072788.db2.gz CTGHDGNTXMMTNG-UHFFFAOYSA-N 0 0 347.850 3.645 10 0 EHAERN CC(=O)N1CC[C@@H](Nc2ccnc(C(C)C)n2)c2ccc(F)cc2C1 ZINC000302173381 1027078565 /nfs/dbraw/zinc/07/85/65/1027078565.db2.gz BGYMQMSLGQYMSN-QGZVFWFLSA-N 0 0 342.418 3.645 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3nc(Cl)ccc3Cl)CCO2)o1 ZINC000127105693 1027274358 /nfs/dbraw/zinc/27/43/58/1027274358.db2.gz NFKJRTGWYOYJJJ-GFCCVEGCSA-N 0 0 341.194 3.504 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C/C=C/c3ccc(C)cc3)CCO2)o1 ZINC000127240321 1027286180 /nfs/dbraw/zinc/28/61/80/1027286180.db2.gz NQNAGULXHNFICN-GNAXCBTBSA-N 0 0 325.408 3.900 10 0 EHAERN CCn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127755852 1027350583 /nfs/dbraw/zinc/35/05/83/1027350583.db2.gz AFPILTHFVMLILL-QAPCUYQASA-N 0 0 341.434 3.665 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000105012093 1027481937 /nfs/dbraw/zinc/48/19/37/1027481937.db2.gz DVQFSEDSOQZZIE-UHFFFAOYSA-N 0 0 348.472 3.551 10 0 EHAERN CCCCc1noc(CN2CCC(Nc3ccccc3F)CC2)n1 ZINC000129039263 1027515037 /nfs/dbraw/zinc/51/50/37/1027515037.db2.gz WYCJZMSJZQFHAO-UHFFFAOYSA-N 0 0 332.423 3.628 10 0 EHAERN CC(C)NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000105063965 1027674850 /nfs/dbraw/zinc/67/48/50/1027674850.db2.gz FMYUFCWJYHBYMO-UHFFFAOYSA-N 0 0 346.450 3.978 10 0 EHAERN C[C@H](NC(=O)N[C@H]1COc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000106549466 1027712223 /nfs/dbraw/zinc/71/22/23/1027712223.db2.gz YZQXBLPVCZARQV-AAEUAGOBSA-N 0 0 345.468 3.935 10 0 EHAERN CC(C)c1nccc(N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)n1 ZINC000131477290 1027783696 /nfs/dbraw/zinc/78/36/96/1027783696.db2.gz ATLJGMOOJLVEPA-OAHLLOKOSA-N 0 0 338.415 3.854 10 0 EHAERN COc1cccc(CNC(=O)N(Cc2cccc(Cl)c2)C(C)C)n1 ZINC000102014015 1027843541 /nfs/dbraw/zinc/84/35/41/1027843541.db2.gz ZYRCQKLNLDVOHU-UHFFFAOYSA-N 0 0 347.846 3.864 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)cc2cccnc21 ZINC000246159421 1027850041 /nfs/dbraw/zinc/85/00/41/1027850041.db2.gz QVQMUBVDWKWHPM-KBRIMQKVSA-N 0 0 342.826 3.576 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000132158171 1027887530 /nfs/dbraw/zinc/88/75/30/1027887530.db2.gz XAZCEAOBZFHTAB-CQSZACIVSA-N 0 0 330.819 3.762 10 0 EHAERN CCSc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000246183192 1027899611 /nfs/dbraw/zinc/89/96/11/1027899611.db2.gz SOZUQRUDSUGDQO-BZUAXINKSA-N 0 0 332.469 3.878 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000132790968 1027965729 /nfs/dbraw/zinc/96/57/29/1027965729.db2.gz IZWURHUDOVAFPB-SCTDSRPQSA-N 0 0 348.531 3.985 10 0 EHAERN O=C(c1c(O)cnc2ccccc21)N1CCC(OC2CCCC2)CC1 ZINC000136540539 1028259113 /nfs/dbraw/zinc/25/91/13/1028259113.db2.gz RYJRWGZGTGWOBH-UHFFFAOYSA-N 0 0 340.423 3.504 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1CCCc2sccc21 ZINC000137373431 1028308487 /nfs/dbraw/zinc/30/84/87/1028308487.db2.gz ICYAWWCMWXJKDM-WBMJQRKESA-N 0 0 329.421 3.522 10 0 EHAERN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(C=O)cc1 ZINC000066618265 1028334772 /nfs/dbraw/zinc/33/47/72/1028334772.db2.gz IILFGNUEJMWQTL-UHFFFAOYSA-N 0 0 347.418 3.594 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3c[nH]nc3C(C)C)C2)cc1 ZINC000193604196 1028453288 /nfs/dbraw/zinc/45/32/88/1028453288.db2.gz OHFSFJPIHLOVSS-DZGCQCFKSA-N 0 0 327.428 3.560 10 0 EHAERN Cc1nnc([C@@H](NCCSCc2ccccc2)c2ccccc2)[nH]1 ZINC000193906164 1028475911 /nfs/dbraw/zinc/47/59/11/1028475911.db2.gz IEFBTCGVZGTDPB-SFHVURJKSA-N 0 0 338.480 3.726 10 0 EHAERN Cc1ccnc(-c2ccc(NC(=O)[C@H]3CCCc4cccnc43)cc2)n1 ZINC000194372067 1028509729 /nfs/dbraw/zinc/50/97/29/1028509729.db2.gz YNNGZFWAEAZQFB-SFHVURJKSA-N 0 0 344.418 3.906 10 0 EHAERN CC[C@]1(C)C[C@@H]1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000246463532 1028584432 /nfs/dbraw/zinc/58/44/32/1028584432.db2.gz GANDJBKUEQVSCE-QLVMHMETSA-N 0 0 340.467 3.566 10 0 EHAERN O=C(c1ccccc1Br)N1CCC[C@H]1c1nccs1 ZINC000074909193 1028637963 /nfs/dbraw/zinc/63/79/63/1028637963.db2.gz CMEITPXCIDLBBA-LBPRGKRZSA-N 0 0 337.242 3.883 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(C=CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000245386404 1028703573 /nfs/dbraw/zinc/70/35/73/1028703573.db2.gz NEAMCAJXVJBBPZ-QVGSTAJNSA-N 0 0 325.412 3.546 10 0 EHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245416647 1028705072 /nfs/dbraw/zinc/70/50/72/1028705072.db2.gz FIZSFGUWIQWOFN-IOASZLSFSA-N 0 0 329.831 3.755 10 0 EHAERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CCCn3ccnc32)C1 ZINC000245420127 1028706975 /nfs/dbraw/zinc/70/69/75/1028706975.db2.gz MNRHGLAANRBGNU-COXVUDFISA-N 0 0 327.403 3.509 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccs1 ZINC000247000320 1028722137 /nfs/dbraw/zinc/72/21/37/1028722137.db2.gz PYEXKBDWHRWRQR-ZGKBOVNRSA-N 0 0 336.501 3.948 10 0 EHAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247453024 1028789863 /nfs/dbraw/zinc/78/98/63/1028789863.db2.gz PAHHCYJMANLBIL-BFHYXJOUSA-N 0 0 342.892 3.891 10 0 EHAERN CN1CC[C@H](CNC(=O)N2CCC[C@H]2c2ccco2)c2ccccc21 ZINC000247540819 1028799286 /nfs/dbraw/zinc/79/92/86/1028799286.db2.gz QTBBLHZILMYKEG-QAPCUYQASA-N 0 0 339.439 3.750 10 0 EHAERN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c(F)c1 ZINC000247825119 1028818725 /nfs/dbraw/zinc/81/87/25/1028818725.db2.gz ISYWXSMFFIYDCL-ZDUSSCGKSA-N 0 0 346.427 3.687 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ncn(-c2ccccc2)n1 ZINC000245554420 1028825311 /nfs/dbraw/zinc/82/53/11/1028825311.db2.gz GVYPMUDUWBHUMJ-MDZRGWNJSA-N 0 0 346.434 3.674 10 0 EHAERN Cc1cc(=O)[nH]c([C@H](C)N2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000248760495 1028946805 /nfs/dbraw/zinc/94/68/05/1028946805.db2.gz QLIPBLYJBJAGIY-JSGCOSHPSA-N 0 0 340.452 3.998 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248800330 1028950277 /nfs/dbraw/zinc/95/02/77/1028950277.db2.gz JPSAVGQCTRKPEC-FCNFAXOHSA-N 0 0 337.419 3.588 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)NC2CCN(c3cccc(C)n3)CC2)CC1 ZINC000249415215 1029001130 /nfs/dbraw/zinc/00/11/30/1029001130.db2.gz YYGIASUDCDVNFV-QAQDUYKDSA-N 0 0 329.488 3.691 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000249418105 1029001654 /nfs/dbraw/zinc/00/16/54/1029001654.db2.gz ZZBRMDAEUYAPBB-IYARVYRRSA-N 0 0 348.531 3.844 10 0 EHAERN CCc1nc(CC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cs1 ZINC000078188276 1029240277 /nfs/dbraw/zinc/24/02/77/1029240277.db2.gz IXDQNZNJEIMHKE-UKRRQHHQSA-N 0 0 344.480 3.661 10 0 EHAERN COc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000078187387 1029240613 /nfs/dbraw/zinc/24/06/13/1029240613.db2.gz OONHUBOWGGSVPB-YOEHRIQHSA-N 0 0 325.408 3.722 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3c(C)noc3C)C2)cc1 ZINC000078187803 1029240631 /nfs/dbraw/zinc/24/06/31/1029240631.db2.gz VXKDLMCQXCOKEB-GUYCJALGSA-N 0 0 342.439 3.637 10 0 EHAERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)c1ccncc1 ZINC000245854808 1029384596 /nfs/dbraw/zinc/38/45/96/1029384596.db2.gz FENNEHUTMIRCHY-CRAIPNDOSA-N 0 0 338.455 3.583 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]2CCO[C@H]21 ZINC000245943715 1029501451 /nfs/dbraw/zinc/50/14/51/1029501451.db2.gz BCELKBBAKVRLHX-RAIGVLPGSA-N 0 0 347.764 3.902 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000155649287 1029610486 /nfs/dbraw/zinc/61/04/86/1029610486.db2.gz WPBQKOZZSPDUMT-GJZGRUSLSA-N 0 0 333.501 3.549 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@H]1C1CCC1 ZINC000155749273 1029642569 /nfs/dbraw/zinc/64/25/69/1029642569.db2.gz AOFKOZWCHUZSLU-INIZCTEOSA-N 0 0 333.501 3.691 10 0 EHAERN CC(C)[C@H](C)N(C(=O)NC1CCN(c2cccs2)CC1)C1CC1 ZINC000155766919 1029654660 /nfs/dbraw/zinc/65/46/60/1029654660.db2.gz UQHUSHOEZUBRQI-AWEZNQCLSA-N 0 0 335.517 3.935 10 0 EHAERN O=C(c1ccc(Cl)nc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089625146 1029956577 /nfs/dbraw/zinc/95/65/77/1029956577.db2.gz PKAGSMHKRGPQHS-CQSZACIVSA-N 0 0 337.206 3.682 10 0 EHAERN O=C(/C=C/c1ccnc(Cl)c1)N1CCC[C@H](c2nccs2)C1 ZINC000090527407 1030136444 /nfs/dbraw/zinc/13/64/44/1030136444.db2.gz IUHIKQXDTNFSAM-OOPCZODUSA-N 0 0 333.844 3.611 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000091171887 1030234330 /nfs/dbraw/zinc/23/43/30/1030234330.db2.gz HYOVCHJRCUVXDI-IFMALSPDSA-N 0 0 346.430 3.543 10 0 EHAERN Cc1cc(CN(C)Cc2c(Cl)n(C)nc2-c2ccccc2)no1 ZINC000092254904 1030419436 /nfs/dbraw/zinc/41/94/36/1030419436.db2.gz PXEKQBIUPJDKRA-UHFFFAOYSA-N 0 0 330.819 3.669 10 0 EHAERN O=C(c1cccc(OC(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000170890745 1030711928 /nfs/dbraw/zinc/71/19/28/1030711928.db2.gz HCJHFOUOXQXOLG-LBPRGKRZSA-N 0 0 338.379 3.764 10 0 EHAERN CC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000170891418 1030713957 /nfs/dbraw/zinc/71/39/57/1030713957.db2.gz NZCNUKAEKBMKMY-CQSZACIVSA-N 0 0 329.425 3.757 10 0 EHAERN CCO[C@H](C(=O)N1CCC(Cc2ccccn2)CC1)c1ccccc1 ZINC000171615861 1030767211 /nfs/dbraw/zinc/76/72/11/1030767211.db2.gz PDPJQCSKOANKKG-FQEVSTJZSA-N 0 0 338.451 3.641 10 0 EHAERN Cc1ccccc1SCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171647196 1030771231 /nfs/dbraw/zinc/77/12/31/1030771231.db2.gz JZGCTGZPKIXLGG-CQSZACIVSA-N 0 0 332.494 3.950 10 0 EHAERN COc1ccccc1/C=C/C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171612586 1030798977 /nfs/dbraw/zinc/79/89/77/1030798977.db2.gz AFPNCCANEDJWPW-MDZDMXLPSA-N 0 0 336.435 3.585 10 0 EHAERN COc1cccc([C@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171613758 1030799167 /nfs/dbraw/zinc/79/91/67/1030799167.db2.gz SDOJOGSYDGTYEP-INIZCTEOSA-N 0 0 338.451 3.675 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)o1 ZINC000171898506 1030803985 /nfs/dbraw/zinc/80/39/85/1030803985.db2.gz QEQSRPKRBWYNMH-HNNXBMFYSA-N 0 0 327.428 3.708 10 0 EHAERN CC(C)c1ccc([C@@H](C)CC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000157776570 1030837260 /nfs/dbraw/zinc/83/72/60/1030837260.db2.gz BWUXIALKPVSVPO-INIZCTEOSA-N 0 0 340.471 3.759 10 0 EHAERN C[C@H](NC(=O)N1CCSC[C@H]1c1ccccc1)c1ccncc1 ZINC000115784648 1030918035 /nfs/dbraw/zinc/91/80/35/1030918035.db2.gz IXIWBDIABZWVMA-YOEHRIQHSA-N 0 0 327.453 3.642 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C4CC4)on3)C2)cc1 ZINC000172369155 1030949271 /nfs/dbraw/zinc/94/92/71/1030949271.db2.gz KPQUMBKSSSCEPN-WFASDCNBSA-N 0 0 326.396 3.579 10 0 EHAERN CCSc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172496977 1030964905 /nfs/dbraw/zinc/96/49/05/1030964905.db2.gz DWHMKEDQDADWQC-SJORKVTESA-N 0 0 328.437 3.578 10 0 EHAERN CS[C@H](C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000172534603 1030969668 /nfs/dbraw/zinc/96/96/68/1030969668.db2.gz DGIHWTAEUWPUEW-HNNXBMFYSA-N 0 0 325.393 3.779 10 0 EHAERN CC(C)[C@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000172734353 1030987520 /nfs/dbraw/zinc/98/75/20/1030987520.db2.gz ZKOUNOBAUQEPPI-WZYMTQMTSA-N 0 0 338.492 3.715 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2ccc(F)c(F)c2)c2ccccc2)[nH]1 ZINC000173379152 1031085922 /nfs/dbraw/zinc/08/59/22/1031085922.db2.gz IXQOPYHEEADBAM-PIGZYNQJSA-N 0 0 328.366 3.832 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)n(C)n3)C2)cc1 ZINC000173448751 1031091274 /nfs/dbraw/zinc/09/12/74/1031091274.db2.gz UISNFDSTXMAKFE-GOEBONIOSA-N 0 0 341.455 3.570 10 0 EHAERN Cc1cc2cc(NC(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)ccc2[nH]1 ZINC000174366730 1031204363 /nfs/dbraw/zinc/20/43/63/1031204363.db2.gz RCAZSBDSNUKFJT-MSOLQXFVSA-N 0 0 337.427 3.978 10 0 EHAERN Cc1c2ccccc2oc1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670268 1031266713 /nfs/dbraw/zinc/26/67/13/1031266713.db2.gz RJGAIHAOMZFUPM-UHFFFAOYSA-N 0 0 349.434 3.843 10 0 EHAERN C[C@]12CCCN1C[C@H](c1noc([C@@H]3C[C@H]3C3CCCCC3)n1)OC2 ZINC000329598792 1031271419 /nfs/dbraw/zinc/27/14/19/1031271419.db2.gz PSNWIFKUFIMOQP-WFXMFSGNSA-N 0 0 331.460 3.679 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CC/C=C/c2ccccc2)c2ccccc2)[nH]1 ZINC000158521875 1031413077 /nfs/dbraw/zinc/41/30/77/1031413077.db2.gz CZGSIHUJESAOTD-MEJUDOHFSA-N 0 0 346.434 3.812 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000176691970 1031474914 /nfs/dbraw/zinc/47/49/14/1031474914.db2.gz DBFCISRVIBDSKK-XJKCOSOUSA-N 0 0 346.496 3.821 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCO[C@H](c2ccco2)C1 ZINC000176783002 1031484790 /nfs/dbraw/zinc/48/47/90/1031484790.db2.gz VBUPGZDSLBKDBP-AWEZNQCLSA-N 0 0 346.433 3.678 10 0 EHAERN C[C@H](NC(=O)c1ncncc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000177685846 1031586762 /nfs/dbraw/zinc/58/67/62/1031586762.db2.gz TUBRCGSQHNCALF-LBPRGKRZSA-N 0 0 338.798 3.683 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3coc(-c4cccs4)n3)CCO2)o1 ZINC000158789925 1031628064 /nfs/dbraw/zinc/62/80/64/1031628064.db2.gz NPAOOROZHKNYMK-HNNXBMFYSA-N 0 0 330.409 3.878 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000179041300 1031727951 /nfs/dbraw/zinc/72/79/51/1031727951.db2.gz OBFRNIWUVOXQFN-FUHWJXTLSA-N 0 0 340.810 3.518 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)c1ccccn1 ZINC000179094007 1031734097 /nfs/dbraw/zinc/73/40/97/1031734097.db2.gz SVLKINPHSQAOQC-CZUORRHYSA-N 0 0 345.830 3.659 10 0 EHAERN Cc1nc([C@H](NC(=O)N(CC(C)C)C(C)C)c2ccccc2F)no1 ZINC000178891974 1031737645 /nfs/dbraw/zinc/73/76/45/1031737645.db2.gz WSXJORCHJYJYPE-MRXNPFEDSA-N 0 0 348.422 3.683 10 0 EHAERN O=C(NCc1nc(C2CC2)cs1)Nc1c[nH]nc1-c1ccccc1 ZINC000179487321 1031779487 /nfs/dbraw/zinc/77/94/87/1031779487.db2.gz UGIIYZHBMNPDKM-UHFFFAOYSA-N 0 0 339.424 3.732 10 0 EHAERN CC(C)CCOC1CCN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000117614347 1031780773 /nfs/dbraw/zinc/78/07/73/1031780773.db2.gz LQILHAOUWFVEPS-DNVCBOLYSA-N 0 0 331.456 3.605 10 0 EHAERN COC(=O)Nc1cc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)ccc1F ZINC000117647458 1031787251 /nfs/dbraw/zinc/78/72/51/1031787251.db2.gz DCQZYFDMOHWNTC-QLJPJBMISA-N 0 0 344.342 3.507 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(C4CCCCC4)n[nH]3)CCO2)o1 ZINC000179561764 1031787305 /nfs/dbraw/zinc/78/73/05/1031787305.db2.gz ISANDKXVNBISKH-GOSISDBHSA-N 0 0 343.427 3.573 10 0 EHAERN Cc1cc2ncc([C@H](C)Nc3ccc4c(c3)CCCC(=O)N4)c(C)n2n1 ZINC000179812302 1031811674 /nfs/dbraw/zinc/81/16/74/1031811674.db2.gz JNPCGHHFCZVKJC-ZDUSSCGKSA-N 0 0 349.438 3.794 10 0 EHAERN COc1cc(CN2CCO[C@@H](c3ccc(C)o3)C2)ccc1SC ZINC000159048959 1031832442 /nfs/dbraw/zinc/83/24/42/1031832442.db2.gz GBKLGXFPDUGZEQ-QGZVFWFLSA-N 0 0 333.453 3.892 10 0 EHAERN O=C(c1cc2c(s1)CCOC2)N1CC=C(c2cccs2)CC1 ZINC000117723995 1031842501 /nfs/dbraw/zinc/84/25/01/1031842501.db2.gz PPTVCYDZSNVYEB-UHFFFAOYSA-N 0 0 331.462 3.812 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152704888 1031844798 /nfs/dbraw/zinc/84/47/98/1031844798.db2.gz PEUNPDKQNZMZQV-UNEWFSDZSA-N 0 0 344.480 3.575 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)nc1 ZINC000180866481 1031916402 /nfs/dbraw/zinc/91/64/02/1031916402.db2.gz WEKOCHCUBFPHMU-UHFFFAOYSA-N 0 0 330.815 3.727 10 0 EHAERN Cc1cc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)sc1C ZINC000180859687 1031916891 /nfs/dbraw/zinc/91/68/91/1031916891.db2.gz APBNNNORFIBBMP-UHFFFAOYSA-N 0 0 330.453 3.752 10 0 EHAERN CC(C)=CCOc1cccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000181193721 1031952407 /nfs/dbraw/zinc/95/24/07/1031952407.db2.gz JOIWGHDMJPXKDL-QGZVFWFLSA-N 0 0 340.427 3.517 10 0 EHAERN CC(=O)[C@@H](C)CCCCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000181196062 1031953103 /nfs/dbraw/zinc/95/31/03/1031953103.db2.gz FLIFFQYVMKFONB-INIZCTEOSA-N 0 0 346.471 3.545 10 0 EHAERN CCCc1cnc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)s1 ZINC000181269567 1031965047 /nfs/dbraw/zinc/96/50/47/1031965047.db2.gz HIVSPGNVBQKZJC-CYBMUJFWSA-N 0 0 347.465 3.537 10 0 EHAERN Cc1scc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1C ZINC000181188014 1031991765 /nfs/dbraw/zinc/99/17/65/1031991765.db2.gz LBBMJYVCQXBORG-UHFFFAOYSA-N 0 0 330.453 3.752 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000252353545 1032035029 /nfs/dbraw/zinc/03/50/29/1032035029.db2.gz ZRZVCSYDRUDHLI-JHJVBQTASA-N 0 0 344.381 3.767 10 0 EHAERN CCc1ccc([C@H]2CCCN2C(=O)c2ccnn2CC(F)(F)F)o1 ZINC000449885309 1033365787 /nfs/dbraw/zinc/36/57/87/1033365787.db2.gz GULLSBCIGOAOMH-GFCCVEGCSA-N 0 0 341.333 3.578 10 0 EHAERN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000246874546 1033500750 /nfs/dbraw/zinc/50/07/50/1033500750.db2.gz CUECWVZCDJABFI-HFSMHLIXSA-N 0 0 344.499 3.571 10 0 EHAERN CC(C)C[C@H](CCO)CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000085416109 1033956259 /nfs/dbraw/zinc/95/62/59/1033956259.db2.gz GLFXGNVWDBKGGM-KRWDZBQOSA-N 0 0 330.472 3.530 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ncc(C)s3)C2)cc1 ZINC000120817008 1034176276 /nfs/dbraw/zinc/17/62/76/1034176276.db2.gz NGVAYTAMPWXRKG-BXUZGUMPSA-N 0 0 331.441 3.870 10 0 EHAERN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101843194 1034276301 /nfs/dbraw/zinc/27/63/01/1034276301.db2.gz PIQPSGFBKPEYSG-ZDUSSCGKSA-N 0 0 348.406 3.755 10 0 EHAERN O=C(Cc1cc(F)c(F)cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000121089875 1034376174 /nfs/dbraw/zinc/37/61/74/1034376174.db2.gz GNWRPZWMQYTRQW-JTQLQIEISA-N 0 0 340.370 3.509 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]c4ncccc34)C2)cc1 ZINC000121130380 1034468738 /nfs/dbraw/zinc/46/87/38/1034468738.db2.gz HAMDHZKSMQAYDT-PBHICJAKSA-N 0 0 349.434 3.519 10 0 EHAERN CC1(C)[C@H](NC(=O)NC2(c3ccccc3)CCCC2)[C@@H]2CCO[C@H]21 ZINC000246982734 1034568533 /nfs/dbraw/zinc/56/85/33/1034568533.db2.gz PCJOMNAQMZIVBN-GVDBMIGSSA-N 0 0 328.456 3.569 10 0 EHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccsc2)C1 ZINC000121335500 1034835331 /nfs/dbraw/zinc/83/53/31/1034835331.db2.gz GCWZSTSAIVIXSW-HUUCEWRRSA-N 0 0 344.436 3.559 10 0 EHAERN CC(C)CCN(C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567077 1035516524 /nfs/dbraw/zinc/51/65/24/1035516524.db2.gz KKIFHSPDTZKSRR-UHFFFAOYSA-N 0 0 333.407 3.711 10 0 EHAERN CC(=O)Nc1cccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000186061150 1035573492 /nfs/dbraw/zinc/57/34/92/1035573492.db2.gz VERSIOVKASWGBB-HNNXBMFYSA-N 0 0 346.434 3.953 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1nc2ccccc2n1C ZINC000186554203 1035658069 /nfs/dbraw/zinc/65/80/69/1035658069.db2.gz IMWRWBBCDQQRER-GFCCVEGCSA-N 0 0 335.411 3.724 10 0 EHAERN CC(=O)Nc1cccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186539362 1035658119 /nfs/dbraw/zinc/65/81/19/1035658119.db2.gz TWOJYFVUZROWRL-LBPRGKRZSA-N 0 0 338.411 3.795 10 0 EHAERN CC(C)CC1(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186638836 1035675093 /nfs/dbraw/zinc/67/50/93/1035675093.db2.gz XGNPSMVXDYJDJS-UHFFFAOYSA-N 0 0 330.432 3.612 10 0 EHAERN C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186673189 1035685267 /nfs/dbraw/zinc/68/52/67/1035685267.db2.gz CDFMFVFMPXOPRJ-STQMWFEESA-N 0 0 330.432 3.706 10 0 EHAERN CC(C)(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(n3cncn3)CC2)CC1 ZINC000187049331 1035744931 /nfs/dbraw/zinc/74/49/31/1035744931.db2.gz YWKWUISDDHZODE-JKSUJKDBSA-N 0 0 347.507 3.620 10 0 EHAERN COc1cnccc1[C@H](C)NCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000187087750 1035771964 /nfs/dbraw/zinc/77/19/64/1035771964.db2.gz KBGNTGSSRASVGS-NSHDSACASA-N 0 0 345.349 3.874 10 0 EHAERN O=C(CCN1CCO[C@H](c2ccsc2)C1)c1ccc(F)cc1F ZINC000187159409 1035777665 /nfs/dbraw/zinc/77/76/65/1035777665.db2.gz CLKYDVJXTRKCMN-KRWDZBQOSA-N 0 0 337.391 3.673 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C[C@H](C)O1 ZINC000157522244 1035833506 /nfs/dbraw/zinc/83/35/06/1035833506.db2.gz FMSRNXMLGJRNGX-HLLBOEOZSA-N 0 0 344.455 3.642 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H]1CC1CCCCC1 ZINC000187678589 1035872443 /nfs/dbraw/zinc/87/24/43/1035872443.db2.gz DOLASALKKRDKEI-QGZVFWFLSA-N 0 0 326.440 3.756 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4F)CC3)CCO2)o1 ZINC000188547514 1035948209 /nfs/dbraw/zinc/94/82/09/1035948209.db2.gz WEVCNNHVCFQPSO-GOSISDBHSA-N 0 0 343.398 3.650 10 0 EHAERN Cc1cnc(C(C)(C)NC(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000188610174 1035962370 /nfs/dbraw/zinc/96/23/70/1035962370.db2.gz YLNHRKTUBFTRRQ-AWEZNQCLSA-N 0 0 345.468 3.818 10 0 EHAERN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cn(C)nc1C ZINC000189690069 1036117660 /nfs/dbraw/zinc/11/76/60/1036117660.db2.gz HZDAJFGXKFAIRM-FUHWJXTLSA-N 0 0 326.444 3.919 10 0 EHAERN CCOCCC1(C(=O)N2CC3(CCOCC3)c3ccccc32)CCC1 ZINC000189800135 1036127797 /nfs/dbraw/zinc/12/77/97/1036127797.db2.gz WQPDAZOIEDXOLG-UHFFFAOYSA-N 0 0 343.467 3.678 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2cn(C)nc2-c2ccncc2)cs1 ZINC000189932247 1036164890 /nfs/dbraw/zinc/16/48/90/1036164890.db2.gz DEQKEDGKWJPPFY-KRWDZBQOSA-N 0 0 339.468 3.584 10 0 EHAERN C[C@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)C1CCOCC1 ZINC000190263352 1036214202 /nfs/dbraw/zinc/21/42/02/1036214202.db2.gz CPPTUQWLOBWWNU-DZGCQCFKSA-N 0 0 337.410 3.734 10 0 EHAERN O=C(C/C=C/c1ccccc1F)N1CCC(Nc2nccs2)CC1 ZINC000190411257 1036233987 /nfs/dbraw/zinc/23/39/87/1036233987.db2.gz NSVKTBUSRZAOLS-HWKANZROSA-N 0 0 345.443 3.789 10 0 EHAERN COC[C@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1ccccc1 ZINC000190488417 1036247113 /nfs/dbraw/zinc/24/71/13/1036247113.db2.gz KKBXYYMTLBORRL-ROUUACIJSA-N 0 0 340.423 3.506 10 0 EHAERN CCn1cc(C2CCN(C(=O)NC[C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000157724669 1036252872 /nfs/dbraw/zinc/25/28/72/1036252872.db2.gz UNSWOYCXTYRHOR-NVXWUHKLSA-N 0 0 332.492 3.618 10 0 EHAERN Cc1nn(C)c2sc(C(=O)N[C@H]3CCOc4c(C)cccc43)cc12 ZINC000190635343 1036269671 /nfs/dbraw/zinc/26/96/71/1036269671.db2.gz FAMNUSPNCKSWQV-AWEZNQCLSA-N 0 0 341.436 3.505 10 0 EHAERN Cc1nn(C(C)(C)C)cc1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190646009 1036270616 /nfs/dbraw/zinc/27/06/16/1036270616.db2.gz QLNDTPYJDJEXIZ-INIZCTEOSA-N 0 0 327.428 3.509 10 0 EHAERN COCCC(C)(C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191211273 1036350692 /nfs/dbraw/zinc/35/06/92/1036350692.db2.gz QRRGWIXSGLFDTG-CYBMUJFWSA-N 0 0 325.399 3.734 10 0 EHAERN Cc1cccc(-c2noc(CN[C@H]3CCO[C@H]3c3ccccc3)n2)c1 ZINC000191956370 1036447807 /nfs/dbraw/zinc/44/78/07/1036447807.db2.gz ZMMQRZHKOVDYGH-HKUYNNGSSA-N 0 0 335.407 3.665 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ncc(C(C)C)s3)CCO2)o1 ZINC000192398186 1036505189 /nfs/dbraw/zinc/50/51/89/1036505189.db2.gz FNNZHCCVCMOGND-CYBMUJFWSA-N 0 0 335.429 3.773 10 0 EHAERN CCc1onc(C)c1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000193380878 1036597049 /nfs/dbraw/zinc/59/70/49/1036597049.db2.gz XXPMSIURSXFGND-UHFFFAOYSA-N 0 0 339.395 3.706 10 0 EHAERN Cc1noc(C)c1[C@@H](C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103127887 1036845483 /nfs/dbraw/zinc/84/54/83/1036845483.db2.gz CXXAVPAGQPUPIQ-GFCCVEGCSA-N 0 0 325.412 3.544 10 0 EHAERN C[C@@H]1CN(c2ccc(CNC(=O)CCCC(C)(C)C)cn2)C[C@H](C)O1 ZINC000103380061 1036891755 /nfs/dbraw/zinc/89/17/55/1036891755.db2.gz YIGILMPIGLRQPT-IYBDPMFKSA-N 0 0 347.503 3.528 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3cnc(C4CC4)nc3)c21 ZINC000103238605 1036917045 /nfs/dbraw/zinc/91/70/45/1036917045.db2.gz IVYXTFMMELKJEO-UHFFFAOYSA-N 0 0 335.411 3.508 10 0 EHAERN Clc1ccc(-n2cccn2)c(NCc2nc(-c3ccoc3)no2)c1 ZINC000105606847 1037202154 /nfs/dbraw/zinc/20/21/54/1037202154.db2.gz SCCKBJKYOMJFAH-UHFFFAOYSA-N 0 0 341.758 3.781 10 0 EHAERN CSCCC(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000105585187 1037218695 /nfs/dbraw/zinc/21/86/95/1037218695.db2.gz ZYEPKEZRJWIUKO-UHFFFAOYSA-N 0 0 329.421 3.702 10 0 EHAERN Fc1cc(Br)ccc1NCc1nc(-c2ccoc2)no1 ZINC000105606391 1037220350 /nfs/dbraw/zinc/22/03/50/1037220350.db2.gz CXZMZRSGPVHYEA-UHFFFAOYSA-N 0 0 338.136 3.843 10 0 EHAERN O=[S@](Cc1nc(-c2ccoc2)no1)Cc1cccc2ccccc21 ZINC000105671447 1037237206 /nfs/dbraw/zinc/23/72/06/1037237206.db2.gz JWVXUUCXHPCUHZ-XMMPIXPASA-N 0 0 338.388 3.932 10 0 EHAERN COc1ccc(-c2cnc(C[S@](=O)Cc3csc(C)n3)o2)cc1 ZINC000105702184 1037243231 /nfs/dbraw/zinc/24/32/31/1037243231.db2.gz HWYUMSNMSOULKQ-QHCPKHFHSA-N 0 0 348.449 3.564 10 0 EHAERN CC[C@H](CC(=O)N1CCC(c2nnc3ccccn32)CC1)C(C)C ZINC000104210931 1037595527 /nfs/dbraw/zinc/59/55/27/1037595527.db2.gz DSSFQSVUAMCMNM-OAHLLOKOSA-N 0 0 328.460 3.508 10 0 EHAERN O=C(Cc1ccccc1C(F)(F)F)Nc1cc(-c2ccncc2)[nH]n1 ZINC000104876715 1037597744 /nfs/dbraw/zinc/59/77/44/1037597744.db2.gz OGEGGQMZAMGKFG-UHFFFAOYSA-N 0 0 346.312 3.672 10 0 EHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)CCCc1ccccn1 ZINC000104873122 1037740167 /nfs/dbraw/zinc/74/01/67/1037740167.db2.gz ACYWAUXTAUYBBZ-IBGZPJMESA-N 0 0 338.451 3.647 10 0 EHAERN O=C(c1cccs1)N1CCCN(C/C=C/c2ccccc2)CC1 ZINC000112411172 1037761764 /nfs/dbraw/zinc/76/17/64/1037761764.db2.gz YTSKCOJMGLPAOX-RUDMXATFSA-N 0 0 326.465 3.609 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)Nc2c[nH]nc2-c2ccccc2)s1 ZINC000179496244 1037816041 /nfs/dbraw/zinc/81/60/41/1037816041.db2.gz KYLGPDKTYSFUEW-NSHDSACASA-N 0 0 327.413 3.724 10 0 EHAERN C[C@@]1(c2nc(-c3cccs3)no2)CCCN1C(=O)c1ccccc1 ZINC000116606360 1037839875 /nfs/dbraw/zinc/83/98/75/1037839875.db2.gz JMINGVHOSSAINH-SFHVURJKSA-N 0 0 339.420 3.950 10 0 EHAERN CCc1cccc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000116997421 1037846069 /nfs/dbraw/zinc/84/60/69/1037846069.db2.gz CFTQRVVENGJREX-UHFFFAOYSA-N 0 0 338.455 3.743 10 0 EHAERN COCCOc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)c1 ZINC000117620512 1037857071 /nfs/dbraw/zinc/85/70/71/1037857071.db2.gz LXQXIVQUHNHVPU-AUUYWEPGSA-N 0 0 341.407 3.523 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccccc1)CCC2 ZINC000332719212 1037949834 /nfs/dbraw/zinc/94/98/34/1037949834.db2.gz WEEIKLDLQHZZON-QZTJIDSGSA-N 0 0 338.455 3.616 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@H](C(C)C)CC1)CCC2 ZINC000332718576 1037951351 /nfs/dbraw/zinc/95/13/51/1037951351.db2.gz VJYMZXKCCVTGNL-DLBZAZTESA-N 0 0 332.492 3.537 10 0 EHAERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000332970972 1037965864 /nfs/dbraw/zinc/96/58/64/1037965864.db2.gz CLGMJEIQIAYZSY-QLFBSQMISA-N 0 0 349.356 3.726 10 0 EHAERN Cc1cccc([C@H](NC(=O)N[C@H](C)c2ccncc2)c2ccccn2)c1 ZINC000124798327 1038235797 /nfs/dbraw/zinc/23/57/97/1038235797.db2.gz FBWLPZHZLIEONA-UZLBHIALSA-N 0 0 346.434 3.935 10 0 EHAERN CCCOc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000125370538 1038317316 /nfs/dbraw/zinc/31/73/16/1038317316.db2.gz YXTMFFUGOLYYPX-GOSISDBHSA-N 0 0 341.411 3.556 10 0 EHAERN Cc1ccc(Cl)c(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1C ZINC000408399586 1038867509 /nfs/dbraw/zinc/86/75/09/1038867509.db2.gz IYFOXXXRULCNTQ-ZDUSSCGKSA-N 0 0 332.835 3.712 10 0 EHAERN CCc1ccc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000156521626 1038985243 /nfs/dbraw/zinc/98/52/43/1038985243.db2.gz RURUKMNKHIVOBW-CVAIRZPRSA-N 0 0 330.472 3.647 10 0 EHAERN ClC(Cl)(Cl)CCN1CCSC[C@@H]1c1nccs1 ZINC000187035608 1039524866 /nfs/dbraw/zinc/52/48/66/1039524866.db2.gz OFSRGCFEVAQYRI-MRVPVSSYSA-N 0 0 331.721 3.993 10 0 EHAERN CC(C)(C(N)=O)c1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000408413945 1039718264 /nfs/dbraw/zinc/71/82/64/1039718264.db2.gz FOXCQEWFFKFDSK-UHFFFAOYSA-N 0 0 343.471 3.638 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2c1 ZINC000151083332 1039726527 /nfs/dbraw/zinc/72/65/27/1039726527.db2.gz VKLQFFWYDYOEKS-LAUBAEHRSA-N 0 0 338.451 3.619 10 0 EHAERN O=C(NC1CCC2(CCOCC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000408416800 1039749064 /nfs/dbraw/zinc/74/90/64/1039749064.db2.gz WJFNEVSQHAVJLU-KRWDZBQOSA-N 0 0 344.455 3.549 10 0 EHAERN Cc1cc2occ(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c2cc1C ZINC000151148968 1039753572 /nfs/dbraw/zinc/75/35/72/1039753572.db2.gz XBVZLXCUQIBANB-UTKZUKDTSA-N 0 0 341.451 3.746 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C(C)(C)O1 ZINC000245538538 1040087343 /nfs/dbraw/zinc/08/73/43/1040087343.db2.gz ZFGXDXUPTQADAO-WOPDTQHZSA-N 0 0 336.398 3.753 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000408437773 1040147115 /nfs/dbraw/zinc/14/71/15/1040147115.db2.gz ZHRMOXOAMJSSFR-ARFHVFGLSA-N 0 0 347.507 3.689 10 0 EHAERN C[C@@H](O)C1CCN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000153025768 1040751384 /nfs/dbraw/zinc/75/13/84/1040751384.db2.gz JOFRSCLVRZBWRO-RDTXWAMCSA-N 0 0 330.472 3.503 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333040040 1041088835 /nfs/dbraw/zinc/08/88/35/1041088835.db2.gz AHAMEQOVPOOQKQ-RPWFAHAXSA-N 0 0 336.439 3.977 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000106524896 1041720552 /nfs/dbraw/zinc/72/05/52/1041720552.db2.gz AIGFTNODZLNGOO-BPCQOVAHSA-N 0 0 344.381 3.767 10 0 EHAERN CCO[C@@H]1C[C@H](Nc2ncnc3sc(CC)cc32)C12CCOCC2 ZINC000302244257 1041934973 /nfs/dbraw/zinc/93/49/73/1041934973.db2.gz JYLZWZFVFUIDRR-LSDHHAIUSA-N 0 0 347.484 3.640 10 0 EHAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408173058 1042106310 /nfs/dbraw/zinc/10/63/10/1042106310.db2.gz FBNBQWBPXKCJAE-KATXQCMRSA-N 0 0 342.483 3.645 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000408175304 1042119422 /nfs/dbraw/zinc/11/94/22/1042119422.db2.gz RWMNIJOKJOVHBH-FABXCBLPSA-N 0 0 333.407 3.827 10 0 EHAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCC[C@H]1c1ccco1 ZINC000408180127 1042158450 /nfs/dbraw/zinc/15/84/50/1042158450.db2.gz MVOQOQKZKBVIEJ-CVEARBPZSA-N 0 0 326.396 3.877 10 0 EHAERN CC(C)C1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000119412470 1042376493 /nfs/dbraw/zinc/37/64/93/1042376493.db2.gz FCZLPUNBSNXYLN-MQBCKMQZSA-N 0 0 346.496 3.821 10 0 EHAERN Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@H]4CCC[C@H]43)cc2)n1 ZINC000330264325 1042721195 /nfs/dbraw/zinc/72/11/95/1042721195.db2.gz XTYYTQCZUSEJIM-RHSMWYFYSA-N 0 0 338.411 3.984 10 0 EHAERN CCOc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162641474 1042744408 /nfs/dbraw/zinc/74/44/08/1042744408.db2.gz QQBWRGWKWMAWEQ-AUUYWEPGSA-N 0 0 336.439 3.952 10 0 EHAERN C[C@H]1CC(c2noc(-c3csc(S(C)(=O)=O)c3)n2)C[C@H](C)C1 ZINC000408224933 1042759734 /nfs/dbraw/zinc/75/97/34/1042759734.db2.gz IVEKTRBMSYPAGA-NXEZZACHSA-N 0 0 340.470 3.741 10 0 EHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 ZINC000408233124 1042812363 /nfs/dbraw/zinc/81/23/63/1042812363.db2.gz RXDYQIXMGCDGKQ-ZDUSSCGKSA-N 0 0 346.500 3.502 10 0 EHAERN CC(C)c1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000408320071 1043111050 /nfs/dbraw/zinc/11/10/50/1043111050.db2.gz LHZNHYSUGOJNCC-UYAOXDASSA-N 0 0 330.472 3.647 10 0 EHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(C)(C)C1 ZINC000279138780 1043434520 /nfs/dbraw/zinc/43/45/20/1043434520.db2.gz ZAXWGUQAGRBAOY-OCCSQVGLSA-N 0 0 329.444 3.529 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCSC[C@H](C)C2)c(Cl)c1 ZINC000408354264 1043648616 /nfs/dbraw/zinc/64/86/16/1043648616.db2.gz JFHLQZNGOXKDDT-SNVBAGLBSA-N 0 0 341.864 3.515 10 0 EHAERN CO[C@@H]1CCC[C@@H]1OC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000111971812 1044529093 /nfs/dbraw/zinc/52/90/93/1044529093.db2.gz ICJVJLPZDDDNOX-CABCVRRESA-N 0 0 333.359 3.524 10 0 EHAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1csc(C2CCCCC2)n1 ZINC000123656576 1044740852 /nfs/dbraw/zinc/74/08/52/1044740852.db2.gz ASSGBSALDDBZIL-HUUCEWRRSA-N 0 0 330.453 3.642 10 0 EHAERN Cc1ccc(/C=C\CC(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1 ZINC000588424181 1129446133 /nfs/dbraw/zinc/44/61/33/1129446133.db2.gz DGRIIMNDLDUSKI-HYXAFXHYSA-N 0 0 332.407 3.833 10 0 EHAERN Cc1csc([C@@H]2COCCN2CCSc2ccccc2F)n1 ZINC000189293259 1132257770 /nfs/dbraw/zinc/25/77/70/1132257770.db2.gz BGLNWTNHCBNESH-AWEZNQCLSA-N 0 0 338.473 3.756 10 0 EHAERN COC(=O)c1ccc([C@H](C)OC(=O)[C@H](C)OCc2ccccc2)cc1 ZINC000102136341 1135463603 /nfs/dbraw/zinc/46/36/03/1135463603.db2.gz ARPWQUNQKFQELO-GJZGRUSLSA-N 0 0 342.391 3.683 10 0 EHAERN COC(=O)Nc1ccccc1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000104021687 1135742016 /nfs/dbraw/zinc/74/20/16/1135742016.db2.gz MQUHJKWUOJCNKA-UHFFFAOYSA-N 0 0 325.324 3.567 10 0 EHAERN COc1ccccc1CCN(C)CN1c2cccc3cccc(c23)C1=O ZINC000104653913 1135853507 /nfs/dbraw/zinc/85/35/07/1135853507.db2.gz UTATYKFNSXFXDC-UHFFFAOYSA-N 0 0 346.430 3.941 10 0 EHAERN CCc1cccc(CC)c1NC(=O)Cn1nccc1-c1ccncc1 ZINC000104054885 1137877522 /nfs/dbraw/zinc/87/75/22/1137877522.db2.gz CCUVEGUWYYYSCR-UHFFFAOYSA-N 0 0 334.423 3.709 10 0 EHAERN C[C@@H]1CCCC[C@@H]1OCc1noc([C@H]2CCCN2c2nccs2)n1 ZINC000333497100 1138297228 /nfs/dbraw/zinc/29/72/28/1138297228.db2.gz VQLJGPOPCYDPIH-MCIONIFRSA-N 0 0 348.472 3.963 10 0 EHAERN O=C(Cc1cc2c(ccc3ccccc23)o1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333696199 1138321675 /nfs/dbraw/zinc/32/16/75/1138321675.db2.gz BKDRGRFTNTWGCV-GVDBMIGSSA-N 0 0 349.430 3.748 10 0 EHAERN COc1ccc(CCC(=O)N2CCC[C@H]2c2csc(C)n2)cc1F ZINC000187016197 1140232834 /nfs/dbraw/zinc/23/28/34/1140232834.db2.gz SDFVIWSTFHEASN-INIZCTEOSA-N 0 0 348.443 3.896 10 0 EHAERN COCc1ccccc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000188554255 1140300883 /nfs/dbraw/zinc/30/08/83/1140300883.db2.gz MBAUXMBPQUCLGQ-INIZCTEOSA-N 0 0 331.441 3.967 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)N(C)CC3)cs1 ZINC000189302511 1140334843 /nfs/dbraw/zinc/33/48/43/1140334843.db2.gz GDVVEBCIOPHPFS-INIZCTEOSA-N 0 0 342.468 3.813 10 0 EHAERN COc1cc(CN2CCC[C@H]2c2csc(C)n2)cc2c1OCCO2 ZINC000189933451 1140372464 /nfs/dbraw/zinc/37/24/64/1140372464.db2.gz VAOYZUGEHRBVCT-HNNXBMFYSA-N 0 0 346.452 3.568 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2ccc(-n3cncn3)c(C)c2)cs1 ZINC000189940142 1140373522 /nfs/dbraw/zinc/37/35/22/1140373522.db2.gz ZRBVTFXYSGYJFB-SFHVURJKSA-N 0 0 339.468 3.678 10 0 EHAERN Cc1csc([C@@H]2CN(C(=O)Nc3ccc(C)cc3C)CCO2)n1 ZINC000283089544 1141551515 /nfs/dbraw/zinc/55/15/15/1141551515.db2.gz WJKZIWACBINNMQ-HNNXBMFYSA-N 0 0 331.441 3.674 10 0 EHAERN Cc1nc(N(C)Cc2ccccc2Br)sc1[C@H](C)O ZINC000054928067 214260841 /nfs/dbraw/zinc/26/08/41/214260841.db2.gz DBYXKUFZTACFGK-JTQLQIEISA-N 0 0 341.274 3.904 10 0 EHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)c(F)cc3F)n2)cc1 ZINC000057342124 214420911 /nfs/dbraw/zinc/42/09/11/214420911.db2.gz ROTIGFCYYIRDEC-UHFFFAOYSA-N 0 0 331.297 3.906 10 0 EHAERN Cc1cc(C)n(C(=O)c2sc(NCCc3ccccc3)nc2C)n1 ZINC000057352034 214421159 /nfs/dbraw/zinc/42/11/59/214421159.db2.gz SNVNNDXIPDXMRJ-UHFFFAOYSA-N 0 0 340.452 3.608 10 0 EHAERN Fc1ccc(Br)cc1Nc1nc(Cl)nc(Cl)n1 ZINC000061518331 214663703 /nfs/dbraw/zinc/66/37/03/214663703.db2.gz HZJFXBWAQBTCJT-UHFFFAOYSA-N 0 0 337.967 3.824 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)c1nsc(Cl)c1Cl ZINC000004301227 210164040 /nfs/dbraw/zinc/16/40/40/210164040.db2.gz JOXHCEQVZQHTBJ-UHFFFAOYSA-N 0 0 336.631 3.771 10 0 EHAERN Cc1ccc(-c2ccc3nnc(SCc4ccccn4)n3n2)cc1 ZINC000004273124 210158019 /nfs/dbraw/zinc/15/80/19/210158019.db2.gz ABFNPJBDHHEBFP-UHFFFAOYSA-N 0 0 333.420 3.787 10 0 EHAERN CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)c(C)o2)cc1 ZINC000003913612 210094773 /nfs/dbraw/zinc/09/47/73/210094773.db2.gz NKSHZWHMKGRDEP-MRXNPFEDSA-N 0 0 328.412 3.509 10 0 EHAERN Nc1nc(-c2cc(Br)ccc2Br)cs1 ZINC000003716793 210073266 /nfs/dbraw/zinc/07/32/66/210073266.db2.gz GAQQUGHFUBBZGS-UHFFFAOYSA-N 0 0 334.036 3.917 10 0 EHAERN Brc1c[nH]nc1-c1ccc(OCc2ccccn2)cc1 ZINC000066352082 215035716 /nfs/dbraw/zinc/03/57/16/215035716.db2.gz RJCZEOZRHIWBON-UHFFFAOYSA-N 0 0 330.185 3.813 10 0 EHAERN CC(C)C[C@@H](C)N(C)C(=O)c1ccccc1I ZINC000042239922 213487619 /nfs/dbraw/zinc/48/76/19/213487619.db2.gz SNZDOFOPSOOSJN-LLVKDONJSA-N 0 0 345.224 3.798 10 0 EHAERN Cn1c2c(s/c1=N/C(=O)c1cccs1)CCc1ccccc1-2 ZINC000103705891 219319873 /nfs/dbraw/zinc/31/98/73/219319873.db2.gz NVRSVQCNXTWKLO-ISLYRVAYSA-N 0 0 326.446 3.655 10 0 EHAERN COc1ccc(Br)cc1-n1c(Cl)nnc1C1CC1 ZINC000103915924 219329119 /nfs/dbraw/zinc/32/91/19/219329119.db2.gz HIMGGHQYRQYZJR-UHFFFAOYSA-N 0 0 328.597 3.569 10 0 EHAERN CCOc1cccc2sc(NC(=O)c3ccccc3OC)nc21 ZINC000040979871 213406010 /nfs/dbraw/zinc/40/60/10/213406010.db2.gz JQKTULVHOFNLMY-UHFFFAOYSA-N 0 0 328.393 3.956 10 0 EHAERN CC(C)[NH2+]Cc1ccc(Br)cc1Sc1ncccn1 ZINC000104295808 219371904 /nfs/dbraw/zinc/37/19/04/219371904.db2.gz AYWBETAGGLYUOL-UHFFFAOYSA-N 0 0 338.274 3.888 10 0 EHAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1F ZINC000040800006 213388661 /nfs/dbraw/zinc/38/86/61/213388661.db2.gz ISYDNXXFIQUCFX-UHFFFAOYSA-N 0 0 345.328 3.832 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3cccc4ncccc43)c2N)nc1 ZINC000040796956 213388597 /nfs/dbraw/zinc/38/85/97/213388597.db2.gz ZFYUIYSLAYJQEX-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3cccc(Cl)c3Cl)c2N)n1 ZINC000040778895 213386093 /nfs/dbraw/zinc/38/60/93/213386093.db2.gz QVZPVEPILPRZKL-UHFFFAOYSA-N 0 0 349.225 3.912 10 0 EHAERN Cc1ccc(CNc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 ZINC000040779401 213385960 /nfs/dbraw/zinc/38/59/60/213385960.db2.gz GMGPWASNVZEYKG-UHFFFAOYSA-N 0 0 340.818 3.771 10 0 EHAERN CC(=O)Nc1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040796061 213387052 /nfs/dbraw/zinc/38/70/52/213387052.db2.gz IQULRTTYEDWNLL-UHFFFAOYSA-N 0 0 335.367 3.553 10 0 EHAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1N1CCCCCC1 ZINC000040725636 213376275 /nfs/dbraw/zinc/37/62/75/213376275.db2.gz QLCICLFUUREUNY-UHFFFAOYSA-N 0 0 335.814 3.975 10 0 EHAERN Cc1ccnc(Nc2ncnc(NCc3ccc(Cl)cc3)c2N)c1 ZINC000040701377 213372369 /nfs/dbraw/zinc/37/23/69/213372369.db2.gz QIHMOJVLPJSAEJ-UHFFFAOYSA-N 0 0 340.818 3.771 10 0 EHAERN Cc1ccc(Nc2ncnc(Oc3cccnc3)c2N)cc1Cl ZINC000040703835 213371928 /nfs/dbraw/zinc/37/19/28/213371928.db2.gz BTJBNUKZRVNREW-UHFFFAOYSA-N 0 0 327.775 3.952 10 0 EHAERN COc1ccc(Cl)cc1Nc1ncnc(Oc2cccnc2)c1N ZINC000040702557 213371606 /nfs/dbraw/zinc/37/16/06/213371606.db2.gz DUDKNKASEMZVEF-UHFFFAOYSA-N 0 0 343.774 3.652 10 0 EHAERN Cc1cccc(OCc2nc3cc(Cl)ccc3n2CCO)c1C ZINC000040401089 213297919 /nfs/dbraw/zinc/29/79/19/213297919.db2.gz JCDNFCVPCKAMHE-UHFFFAOYSA-N 0 0 330.815 3.878 10 0 EHAERN CCC(CC)c1nnc(NC(=O)c2ccc3[nH]c(C)nc3c2)s1 ZINC000040311898 213290817 /nfs/dbraw/zinc/29/08/17/213290817.db2.gz HUTUTRKGOFWRPC-UHFFFAOYSA-N 0 0 329.429 3.879 10 0 EHAERN CC(C)(C)C(=O)NCc1nc2ccccc2n1CCc1ccccc1 ZINC000040190257 213280676 /nfs/dbraw/zinc/28/06/76/213280676.db2.gz ZBFKQEVMZITTRI-UHFFFAOYSA-N 0 0 335.451 3.941 10 0 EHAERN Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2cccc(F)c21 ZINC000039963096 213246892 /nfs/dbraw/zinc/24/68/92/213246892.db2.gz YTDWSCHVNBHQCS-UHFFFAOYSA-N 0 0 330.746 3.583 10 0 EHAERN COC(=O)c1ccc(-c2cn3ccc(Br)cc3n2)cc1 ZINC000039325766 213233956 /nfs/dbraw/zinc/23/39/56/213233956.db2.gz LNBBLQIJXDAHML-UHFFFAOYSA-N 0 0 331.169 3.550 10 0 EHAERN CCCCCN(C)S(=O)(=O)c1ccc(C)cc1Br ZINC000037575219 213158734 /nfs/dbraw/zinc/15/87/34/213158734.db2.gz ZDTZSQHYAYQORB-UHFFFAOYSA-N 0 0 334.279 3.568 10 0 EHAERN COc1ccccc1C(=O)c1ccc(I)cc1 ZINC000036941509 213125429 /nfs/dbraw/zinc/12/54/29/213125429.db2.gz MTYJZCPTQNCLRF-UHFFFAOYSA-N 0 0 338.144 3.531 10 0 EHAERN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cn1C1CC1 ZINC000036859935 213123503 /nfs/dbraw/zinc/12/35/03/213123503.db2.gz XODFOKBWLDTWPJ-QWRGUYRKSA-N 0 0 325.250 3.989 10 0 EHAERN COc1ccc(C(=O)c2cccc(I)c2)cc1 ZINC000036476657 213099210 /nfs/dbraw/zinc/09/92/10/213099210.db2.gz QPTWIAKIUKBUDP-UHFFFAOYSA-N 0 0 338.144 3.531 10 0 EHAERN O=C(c1cccs1)N1CCC[C@H](OCc2cc(F)cc(F)c2)C1 ZINC000036315344 213084508 /nfs/dbraw/zinc/08/45/08/213084508.db2.gz ACTGOJXWVIYFDD-HNNXBMFYSA-N 0 0 337.391 3.848 10 0 EHAERN O=C(c1cccs1)N1CCC[C@H](OCc2cccc(F)c2F)C1 ZINC000036315289 213084029 /nfs/dbraw/zinc/08/40/29/213084029.db2.gz AQIJYEKMYDZISX-ZDUSSCGKSA-N 0 0 337.391 3.848 10 0 EHAERN CC[C@@H](C)NC(=O)c1csc(COc2ccc(C)cc2OC)n1 ZINC000036084097 213060668 /nfs/dbraw/zinc/06/06/68/213060668.db2.gz OCINYRJSYDFMJT-GFCCVEGCSA-N 0 0 334.441 3.567 10 0 EHAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000036022564 213056428 /nfs/dbraw/zinc/05/64/28/213056428.db2.gz TVZBWLUTWRMMHF-INIZCTEOSA-N 0 0 330.815 3.733 10 0 EHAERN Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2F)ccc1Cl ZINC000034957185 213001908 /nfs/dbraw/zinc/00/19/08/213001908.db2.gz GXDMTZBRDFTMGW-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN CC(C)CCN1C(=O)C(=O)c2cc(Br)cc(Cl)c21 ZINC000033494366 212942344 /nfs/dbraw/zinc/94/23/44/212942344.db2.gz HLYZZUWSHFOOJO-UHFFFAOYSA-N 0 0 330.609 3.678 10 0 EHAERN O=C1C(=Cc2ccc(OC(F)F)cc2)NC(=S)N1c1ccccc1 ZINC000035657304 213043570 /nfs/dbraw/zinc/04/35/70/213043570.db2.gz KKDSSCULCFNONP-GXDHUFHOSA-N 0 0 346.358 3.550 10 0 EHAERN COc1cccc2c(C)cc(=O)n(CC(=O)c3c[nH]c4ccccc43)c12 ZINC000032530896 212808544 /nfs/dbraw/zinc/80/85/44/212808544.db2.gz OIEKRDXMYVHQAP-UHFFFAOYSA-N 0 0 346.386 3.683 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4ccccn4)c3c(=O)[nH]2)cc1C ZINC000072440963 216235295 /nfs/dbraw/zinc/23/52/95/216235295.db2.gz BBOQSTPKOAWVNB-UHFFFAOYSA-N 0 0 343.390 3.741 10 0 EHAERN COc1ccc(-c2ccnc3nc(-c4ccc(C)cc4)nn32)cc1OC ZINC000072451349 216239975 /nfs/dbraw/zinc/23/99/75/216239975.db2.gz UHBGPAOVUYJJCR-UHFFFAOYSA-N 0 0 346.390 3.784 10 0 EHAERN CCOC(=O)[C@@H](NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000037973887 213179009 /nfs/dbraw/zinc/17/90/09/213179009.db2.gz HWNHOFDENRLVEN-JTQLQIEISA-N 0 0 330.133 3.750 10 0 EHAERN COC(=O)c1[nH]cc(-c2ccccc2)c1NC(=S)N1CCCCC1 ZINC000073637665 216403316 /nfs/dbraw/zinc/40/33/16/216403316.db2.gz AGZGMHXGQKXBQF-UHFFFAOYSA-N 0 0 343.452 3.651 10 0 EHAERN CCCCCNC(=O)/C=C/c1cc(Br)ccc1OC ZINC000022404896 212295368 /nfs/dbraw/zinc/29/53/68/212295368.db2.gz ZRHQRNFBJGGWON-RMKNXTFCSA-N 0 0 326.234 3.777 10 0 EHAERN Nc1ccc(Cl)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000022178031 212280435 /nfs/dbraw/zinc/28/04/35/212280435.db2.gz PKTOSUMFCVGVFN-UHFFFAOYSA-N 0 0 339.620 3.866 10 0 EHAERN C[Si](C)(C)[C@@]12C[C@@H]1CCN2C(=O)c1ccc(Br)cc1 ZINC000195814070 241035717 /nfs/dbraw/zinc/03/57/17/241035717.db2.gz AMPMAEGMFLVNFP-WFASDCNBSA-N 0 0 338.321 3.931 10 0 EHAERN O=C(/C=C\c1ccccc1Br)Nc1nc2ccccc2[nH]1 ZINC000212433229 241087543 /nfs/dbraw/zinc/08/75/43/241087543.db2.gz PHLWSJXBOWVNRZ-KTKRTIGZSA-N 0 0 342.196 3.977 10 0 EHAERN CCn1ncc(Cl)c1C(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000021719028 212243569 /nfs/dbraw/zinc/24/35/69/212243569.db2.gz BRFIFYBISHRXGQ-ZDUSSCGKSA-N 0 0 336.823 3.645 10 0 EHAERN CCNC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC000020608914 212153648 /nfs/dbraw/zinc/15/36/48/212153648.db2.gz GVMPGFNZSPISQB-UHFFFAOYSA-N 0 0 336.823 3.720 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)N3c4ccccc4C[C@H]3C)CC2=O)c1 ZINC000020374078 212123762 /nfs/dbraw/zinc/12/37/62/212123762.db2.gz KQHNVJJZUGJMPH-AEFFLSMTSA-N 0 0 348.446 3.634 10 0 EHAERN Cc1sc2ncnc(NC(C)(C)CO)c2c1-c1ccc(F)cc1 ZINC000020321500 212118567 /nfs/dbraw/zinc/11/85/67/212118567.db2.gz BNYGXCROTOQKMS-UHFFFAOYSA-N 0 0 331.416 3.989 10 0 EHAERN CCCc1noc(CN(C)Cc2csc(-c3cccs3)n2)n1 ZINC000020272283 212115382 /nfs/dbraw/zinc/11/53/82/212115382.db2.gz YHUWFFSISKGDIT-UHFFFAOYSA-N 0 0 334.470 3.839 10 0 EHAERN COc1ccc(N)cc1OCc1cc(F)ccc1Br ZINC000019477982 212030967 /nfs/dbraw/zinc/03/09/67/212030967.db2.gz RNWCIVHLVYXACP-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000019436961 212028746 /nfs/dbraw/zinc/02/87/46/212028746.db2.gz DTWMLTYCMQZYIM-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN O=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1 ZINC000013835435 211649217 /nfs/dbraw/zinc/64/92/17/211649217.db2.gz MHZCBYNKWGSPEP-UHFFFAOYSA-N 0 0 328.375 3.583 10 0 EHAERN CCCCc1nc2cc(C(=O)NCc3nc(C)cs3)ccc2o1 ZINC000012478885 211391924 /nfs/dbraw/zinc/39/19/24/211391924.db2.gz MCESRHSNVDCVOQ-UHFFFAOYSA-N 0 0 329.425 3.865 10 0 EHAERN O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCCO1 ZINC000011874244 211263388 /nfs/dbraw/zinc/26/33/88/211263388.db2.gz UFSHSFKDKYQDTR-UHFFFAOYSA-N 0 0 336.391 3.781 10 0 EHAERN O=C(Nc1cccc(NC(=O)c2n[nH]c3ccccc32)c1)c1ccco1 ZINC000010547852 211180053 /nfs/dbraw/zinc/18/00/53/211180053.db2.gz DXKIFQOAELNWAP-UHFFFAOYSA-N 0 0 346.346 3.661 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)NC(=O)OC3)CC1 ZINC000095079839 218274751 /nfs/dbraw/zinc/27/47/51/218274751.db2.gz PRUJBZBHZPHVAZ-UHFFFAOYSA-N 0 0 332.400 3.863 10 0 EHAERN Cc1nccnc1OCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095090601 218280188 /nfs/dbraw/zinc/28/01/88/218280188.db2.gz RRAMEPJZISWWPR-UHFFFAOYSA-N 0 0 335.448 3.591 10 0 EHAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000007657307 210827558 /nfs/dbraw/zinc/82/75/58/210827558.db2.gz WZDNPZUDJBAGCH-JLHYYAGUSA-N 0 0 325.364 3.524 10 0 EHAERN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000006227562 210603722 /nfs/dbraw/zinc/60/37/22/210603722.db2.gz MQUOUVFNVHZHKV-NZQKXSOJSA-N 0 0 349.474 3.972 10 0 EHAERN COc1cc(NC(=O)C2CCCCC2)c(OC)cc1Br ZINC000005660992 210511920 /nfs/dbraw/zinc/51/19/20/210511920.db2.gz BAIZAWRPGFJZAW-UHFFFAOYSA-N 0 0 342.233 3.985 10 0 EHAERN CCC1=NS(=O)(=O)c2cccnc2N1c1ccc(C)c(Cl)c1 ZINC000065255414 132808064 /nfs/dbraw/zinc/80/80/64/132808064.db2.gz OIASHKGLPKYZPK-UHFFFAOYSA-N 0 0 335.816 3.692 10 0 EHAERN COc1ccc(/C=C2\CCC[C@H]3C2=NO[C@]3(O)C(F)(F)F)cc1 ZINC000217020076 536598116 /nfs/dbraw/zinc/59/81/16/536598116.db2.gz LUQMHCRRVCTZRN-KSXXBGCLSA-N 0 0 327.302 3.516 10 0 EHAERN Cn1cc(Br)c(NC(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000000080527 563218543 /nfs/dbraw/zinc/21/85/43/563218543.db2.gz KUCJVUVBVRGQOF-UHFFFAOYSA-N 0 0 349.015 3.742 10 0 EHAERN CC(C)CCNC(=O)c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC000065025447 563721467 /nfs/dbraw/zinc/72/14/67/563721467.db2.gz NYRQDWLMEXYAPM-UHFFFAOYSA-N 0 0 338.455 3.520 10 0 EHAERN CC(C)(C)OC(=O)N([C@@H](C(=N)NO)c1cccs1)C1CCCC1 ZINC000409441269 563962174 /nfs/dbraw/zinc/96/21/74/563962174.db2.gz OLVIKKZRXCKJDM-CYBMUJFWSA-N 0 0 339.461 3.925 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2C(F)(F)F)[C@@H](O)C1 ZINC000071790699 563965847 /nfs/dbraw/zinc/96/58/47/563965847.db2.gz DCGPFMBWRAEWML-OCCSQVGLSA-N 0 0 345.361 3.791 10 0 EHAERN CC[C@H](C(=O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000000408408 564082666 /nfs/dbraw/zinc/08/26/66/564082666.db2.gz PXCJDJOFPCZSTC-ZDUSSCGKSA-N 0 0 326.783 3.953 10 0 EHAERN Cc1c2c(n(Cc3ccccc3F)c1C(=O)NC1CC1)CCCC2 ZINC000006772980 564097556 /nfs/dbraw/zinc/09/75/56/564097556.db2.gz WXIWDEVXPYLAKF-UHFFFAOYSA-N 0 0 326.415 3.755 10 0 EHAERN CN(CCc1ccccn1)C(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285604 564104356 /nfs/dbraw/zinc/10/43/56/564104356.db2.gz FQUREUMTPYJTAK-UHFFFAOYSA-N 0 0 325.437 3.747 10 0 EHAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ccncc1Cl ZINC000328621924 564136971 /nfs/dbraw/zinc/13/69/71/564136971.db2.gz IBDFCRYUPRJBRP-NSHDSACASA-N 0 0 335.860 3.692 10 0 EHAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cccn1C1CC1 ZINC000328624120 564136992 /nfs/dbraw/zinc/13/69/92/564136992.db2.gz JSCZXPHVNCPXSP-ZDUSSCGKSA-N 0 0 329.469 3.780 10 0 EHAERN C[C@@H](CC(=O)CCCOCc1ccccc1)NC(=O)OC(C)(C)C ZINC000405633756 564177606 /nfs/dbraw/zinc/17/76/06/564177606.db2.gz YXFMIAGDZOHKRU-HNNXBMFYSA-N 0 0 335.444 3.856 10 0 EHAERN CCC(C)(C)C1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822594480 946133676 /nfs/dbraw/zinc/13/36/76/946133676.db2.gz OOAPRCLDNUJNBN-UHFFFAOYSA-N 0 0 341.459 3.592 10 0 EHAERN COC(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1F ZINC000182320665 1032088542 /nfs/dbraw/zinc/08/85/42/1032088542.db2.gz UYRKRXCFTMWVHL-MGPLVRAMSA-N 0 0 344.342 3.507 10 0 EHAERN CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000689080320 976207468 /nfs/dbraw/zinc/20/74/68/976207468.db2.gz CZQFKNPQMJIVNW-QGZVFWFLSA-N 0 0 346.496 3.693 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175864933 1015049363 /nfs/dbraw/zinc/04/93/63/1015049363.db2.gz WZFCCVMAKKCQAW-NVXWUHKLSA-N 0 0 332.492 3.520 10 0 EHAERN Cc1ccc(OC2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nc1 ZINC000182850597 1032145042 /nfs/dbraw/zinc/14/50/42/1032145042.db2.gz SPBBXOZNNSKXEN-AWEZNQCLSA-N 0 0 330.432 3.501 10 0 EHAERN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)/C=C\c1ncccc1C ZINC000588453121 1016773041 /nfs/dbraw/zinc/77/30/41/1016773041.db2.gz WHVXWIRNOMQCSB-BVNDAYQMSA-N 0 0 344.842 3.949 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2oc(CC3CC3)nc2C)cs1 ZINC000330018698 1016836976 /nfs/dbraw/zinc/83/69/76/1016836976.db2.gz TYYLZGVSQZXFHW-AWEZNQCLSA-N 0 0 331.441 3.678 10 0 EHAERN CSCCCCCCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000183279763 1032188298 /nfs/dbraw/zinc/18/82/98/1032188298.db2.gz HRGYKTGOOKAQNI-INIZCTEOSA-N 0 0 340.489 3.594 10 0 EHAERN Cc1cccc2c1ncnc2N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000408032332 1017248470 /nfs/dbraw/zinc/24/84/70/1017248470.db2.gz VHLIDEZUJZZWBF-QGZVFWFLSA-N 0 0 333.439 3.882 10 0 EHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184456524 1032273869 /nfs/dbraw/zinc/27/38/69/1032273869.db2.gz HKGGXJTYURTBPH-OAHLLOKOSA-N 0 0 345.422 3.760 10 0 EHAERN CC(C)(C)c1csc([C@@H]2CN(C[C@H]3CCC(C)(C)O3)CCO2)n1 ZINC000184674661 1032316677 /nfs/dbraw/zinc/31/66/77/1032316677.db2.gz UYDACECJNOPMOA-KGLIPLIRSA-N 0 0 338.517 3.772 10 0 EHAERN CC1(C)C[C@@H](NC(=O)N2CCOC3(CCCC3)C2)c2ccccc2O1 ZINC000152724448 1032344625 /nfs/dbraw/zinc/34/46/25/1032344625.db2.gz WEKHRYHTZNTJLK-MRXNPFEDSA-N 0 0 344.455 3.643 10 0 EHAERN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119077829 1032561402 /nfs/dbraw/zinc/56/14/02/1032561402.db2.gz HUFCYDNBZZWCHP-UONOGXRCSA-N 0 0 325.393 3.849 10 0 EHAERN O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)NC1CCCCC1 ZINC000000416786 1032628901 /nfs/dbraw/zinc/62/89/01/1032628901.db2.gz KZOQYDQAGXZQHF-UHFFFAOYSA-N 0 0 333.432 3.757 10 0 EHAERN CCc1cc(C)c(C(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)o1 ZINC000408037451 1017452530 /nfs/dbraw/zinc/45/25/30/1017452530.db2.gz DRARHOKKQAODIG-KRWDZBQOSA-N 0 0 341.455 3.740 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2O1 ZINC000249119389 1032742736 /nfs/dbraw/zinc/74/27/36/1032742736.db2.gz TUHXMUIXFZNBQV-BGIGGGFGSA-N 0 0 346.427 3.519 10 0 EHAERN CCO[C@@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@H]1C ZINC000333252156 1018971758 /nfs/dbraw/zinc/97/17/58/1018971758.db2.gz SDTGIBQXNSHGPE-MWLCHTKSSA-N 0 0 325.459 3.637 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(C2CC2)c1 ZINC000333490732 1019762469 /nfs/dbraw/zinc/76/24/69/1019762469.db2.gz IUYKIHZYXBPBPD-ZRCAFCQKSA-N 0 0 342.483 3.962 10 0 EHAERN CN1CCc2ccc(NC(=O)/C=C\c3ccnc4ccccc34)cc21 ZINC000588385294 1019809334 /nfs/dbraw/zinc/80/93/34/1019809334.db2.gz BUJSBPQBWKWVBW-CLFYSBASSA-N 0 0 329.403 3.879 10 0 EHAERN C[S@](=O)c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1F ZINC000588389820 1020085808 /nfs/dbraw/zinc/08/58/08/1020085808.db2.gz RNQRJXBGCSYORX-AZYNXAEESA-N 0 0 337.803 3.868 10 0 EHAERN Cc1cccc(-c2ccc(CNC(=O)/C=C\c3ccncn3)cc2)c1 ZINC000588393469 1020212707 /nfs/dbraw/zinc/21/27/07/1020212707.db2.gz MCNQQDHRGVUNAJ-KTKRTIGZSA-N 0 0 329.403 3.782 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000246432136 1020806059 /nfs/dbraw/zinc/80/60/59/1020806059.db2.gz LLSYTUGGKTUPJF-NTZNESFSSA-N 0 0 330.354 3.630 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000152305944 1020842551 /nfs/dbraw/zinc/84/25/51/1020842551.db2.gz QRJVWKCYMOYJJR-MDASCCDHSA-N 0 0 338.455 3.600 10 0 EHAERN O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120954435 1021160255 /nfs/dbraw/zinc/16/02/55/1021160255.db2.gz ONKDNNDNVNQCOP-SBHAEUEKSA-N 0 0 342.483 3.864 10 0 EHAERN C[C@H](NC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000333790510 1022130504 /nfs/dbraw/zinc/13/05/04/1022130504.db2.gz DFZWZQMYDWGYGY-BPUTZDHNSA-N 0 0 344.455 3.739 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000187666681 1022219065 /nfs/dbraw/zinc/21/90/65/1022219065.db2.gz VHJPUOMULLBTEJ-QGZVFWFLSA-N 0 0 340.810 3.812 10 0 EHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187679626 1022223040 /nfs/dbraw/zinc/22/30/40/1022223040.db2.gz XIBHHULXQYJMAP-INIZCTEOSA-N 0 0 338.407 3.526 10 0 EHAERN O=C(c1ccc(OC2CCCCC2)cc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328848964 1022299401 /nfs/dbraw/zinc/29/94/01/1022299401.db2.gz WDHDSYHQNAKVDL-QZTJIDSGSA-N 0 0 342.439 3.589 10 0 EHAERN CC[C@H](NC(=O)/C(C)=C\c1ccc(OC)c(F)c1)c1nccs1 ZINC000588440735 1022458292 /nfs/dbraw/zinc/45/82/92/1022458292.db2.gz FGYAJYFOYMSORW-FPAJZGIOSA-N 0 0 334.416 3.962 10 0 EHAERN O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)N[C@@H]1CCCC[C@@H]1O ZINC000334112878 1022482725 /nfs/dbraw/zinc/48/27/25/1022482725.db2.gz DMUHTRVRSUIPMC-SVGFKBNWSA-N 0 0 336.863 3.579 10 0 EHAERN Cc1ccc(OCCCNC(=O)N2CCC(OCC(C)C)CC2)cc1 ZINC000101614087 1022593817 /nfs/dbraw/zinc/59/38/17/1022593817.db2.gz DHOWYDZFSZFOQS-UHFFFAOYSA-N 0 0 348.487 3.611 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1C ZINC000101735303 1022687083 /nfs/dbraw/zinc/68/70/83/1022687083.db2.gz ZHKNMXJBYPRFTM-MRXNPFEDSA-N 0 0 345.487 3.708 10 0 EHAERN O=C(/C=C\c1ccnc2ccccc12)OC1CCN(CC(F)F)CC1 ZINC000588448327 1022882232 /nfs/dbraw/zinc/88/22/32/1022882232.db2.gz XLVQTTOOUZLVTA-WAYWQWQTSA-N 0 0 346.377 3.521 10 0 EHAERN C/C=C\c1ccc(OCC(=O)OCCC[C@H]2CCCO2)c(OC)c1 ZINC000588448985 1022907113 /nfs/dbraw/zinc/90/71/13/1022907113.db2.gz QQRMISGCXBHLCB-QQNRWZHASA-N 0 0 334.412 3.610 10 0 EHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC(CC)(CC)CC1 ZINC000189896496 1023131538 /nfs/dbraw/zinc/13/15/38/1023131538.db2.gz FXVPXFBFMQYKOF-OAHLLOKOSA-N 0 0 347.507 3.677 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000090224649 1023257488 /nfs/dbraw/zinc/25/74/88/1023257488.db2.gz AYYZPXPFPZLYNF-IRXDYDNUSA-N 0 0 326.444 3.542 10 0 EHAERN CC(C)(C)c1nc(CC(=O)N[C@@H]2CCCc3c(O)cccc32)cs1 ZINC000190303657 1023281504 /nfs/dbraw/zinc/28/15/04/1023281504.db2.gz HTOYDLCTAWWDEC-OAHLLOKOSA-N 0 0 344.480 3.883 10 0 EHAERN C[C@H]1OCC[C@H]1NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000091033116 1023293279 /nfs/dbraw/zinc/29/32/79/1023293279.db2.gz SWFIAWLAUXIXPY-FZKQIMNGSA-N 0 0 338.407 3.587 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000588471477 1023693632 /nfs/dbraw/zinc/69/36/32/1023693632.db2.gz HCIUKBWNUTWULV-HKBKRHGFSA-N 0 0 347.430 3.809 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000246640601 1023765681 /nfs/dbraw/zinc/76/56/81/1023765681.db2.gz NRLKUQZKLNJUFR-BARDWOONSA-N 0 0 334.464 3.864 10 0 EHAERN CC[C@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)c1cccs1 ZINC000190602196 1023954120 /nfs/dbraw/zinc/95/41/20/1023954120.db2.gz PYCINCPUYSBDBR-OLZOCXBDSA-N 0 0 347.488 3.701 10 0 EHAERN CCc1nnc(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)s1 ZINC000151452461 1024109229 /nfs/dbraw/zinc/10/92/29/1024109229.db2.gz GCSFHSVTTDNKRB-YPMHNXCESA-N 0 0 346.456 3.519 10 0 EHAERN C[C@@H]1C[C@H](C(=O)NCC[C@@H]2c3ccccc3NC2=O)CC(C)(C)C1 ZINC000182599998 1024114521 /nfs/dbraw/zinc/11/45/21/1024114521.db2.gz LDSZZWZSGKDTDD-IJEWVQPXSA-N 0 0 328.456 3.691 10 0 EHAERN Cc1ccc2ncc(-c3nc(C4C[C@H](C)C[C@@H](C)C4)no3)c(=O)n2c1 ZINC000329726105 1024149045 /nfs/dbraw/zinc/14/90/45/1024149045.db2.gz OKNRLPKZIQLZOA-CHWSQXEVSA-N 0 0 338.411 3.593 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183419205 1024228871 /nfs/dbraw/zinc/22/88/71/1024228871.db2.gz CPYGSVNTMWBPRN-MSOLQXFVSA-N 0 0 342.418 3.863 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1CC(C)(C)C ZINC000153648816 1024233192 /nfs/dbraw/zinc/23/31/92/1024233192.db2.gz VUJVGBHHWYUVAZ-GJZGRUSLSA-N 0 0 347.507 3.847 10 0 EHAERN C[C@@H]1C[C@H](C(=O)Nc2cnn(Cc3ccncc3)c2)CC(C)(C)C1 ZINC000183557077 1024273454 /nfs/dbraw/zinc/27/34/54/1024273454.db2.gz MNLQLDGBOLDCHI-ZBFHGGJFSA-N 0 0 326.444 3.727 10 0 EHAERN O=C(c1ccnn1C1CCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000330107684 1024322019 /nfs/dbraw/zinc/32/20/19/1024322019.db2.gz MMJMKKMUYZOHJE-KRWDZBQOSA-N 0 0 349.438 3.852 10 0 EHAERN COc1cc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)ccc1Cl ZINC000194403170 1024410950 /nfs/dbraw/zinc/41/09/50/1024410950.db2.gz KOYYORFZPGEMRQ-GJZGRUSLSA-N 0 0 348.834 3.851 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000280940678 1024457136 /nfs/dbraw/zinc/45/71/36/1024457136.db2.gz FPSMAJZJMDXIBK-JCHJZTRSSA-N 0 0 346.446 3.538 10 0 EHAERN Cc1cnn([C@@H]2CCCN([C@H](C)c3nc(-c4cccs4)no3)C2)c1 ZINC000247203989 1024499434 /nfs/dbraw/zinc/49/94/34/1024499434.db2.gz PFIOPDJSDZOTKL-ZIAGYGMSSA-N 0 0 343.456 3.701 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3sccc3C)CCO2)o1 ZINC000151724237 1024500371 /nfs/dbraw/zinc/50/03/71/1024500371.db2.gz NWSCDYISNWFWOB-DZKIICNBSA-N 0 0 331.437 3.662 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(OC)c(F)c1 ZINC000105002981 1024871826 /nfs/dbraw/zinc/87/18/26/1024871826.db2.gz QVVDPDDCVKWYOZ-UHFFFAOYSA-N 0 0 331.391 3.716 10 0 EHAERN O=C(Nc1ccccn1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113366904 1025150773 /nfs/dbraw/zinc/15/07/73/1025150773.db2.gz KSNVHZWAFCDXKB-INIZCTEOSA-N 0 0 347.422 3.883 10 0 EHAERN Cc1cc2cn[nH]c2c(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1 ZINC000066759795 1025819666 /nfs/dbraw/zinc/81/96/66/1025819666.db2.gz RVHXZTNYYNKLAA-GOSISDBHSA-N 0 0 349.434 3.864 10 0 EHAERN O=C(c1csc([C@H]2CCCO2)n1)N1CC=C(c2cccs2)CC1 ZINC000152402187 1025918991 /nfs/dbraw/zinc/91/89/91/1025918991.db2.gz ZMLZZSBYVWHEFU-CQSZACIVSA-N 0 0 346.477 3.986 10 0 EHAERN C[C@@H]1CCC[C@H]1c1nc(-c2ccc([C@]3(C)NC(=O)NC3=O)cc2)no1 ZINC000329555626 1025997025 /nfs/dbraw/zinc/99/70/25/1025997025.db2.gz HCMSGGJAZHDQQE-ZEWFUEFWSA-N 0 0 340.383 3.740 10 0 EHAERN C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc4c(c3)CCC=C4)n1)OC2 ZINC000329615187 1026075923 /nfs/dbraw/zinc/07/59/23/1026075923.db2.gz SFBAAUMPDVXWSJ-PXNSSMCTSA-N 0 0 337.423 3.622 10 0 EHAERN COc1ccc([C@H](C)NC(=O)c2sccc2OC(F)F)cc1F ZINC000104210531 1026179733 /nfs/dbraw/zinc/17/97/33/1026179733.db2.gz LKOOMVFFELABEE-QMMMGPOBSA-N 0 0 345.342 3.988 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(F)cc1OC ZINC000104995079 1026473121 /nfs/dbraw/zinc/47/31/21/1026473121.db2.gz JKIQRMSFLUGNRO-UHFFFAOYSA-N 0 0 332.375 3.549 10 0 EHAERN Cc1noc(-c2ccnc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c2)n1 ZINC000301499454 1026828719 /nfs/dbraw/zinc/82/87/19/1026828719.db2.gz CZKWPUUIEQZKFM-RYUDHWBXSA-N 0 0 326.322 3.973 10 0 EHAERN COCc1cc(N2CCC[C@@H](c3nccs3)C2)nc(C(C)(C)C)n1 ZINC000301794899 1026940354 /nfs/dbraw/zinc/94/03/54/1026940354.db2.gz PKVIYWFQCJKGPR-CYBMUJFWSA-N 0 0 346.500 3.761 10 0 EHAERN FC(F)(F)c1cccc(N2CCC(c3noc(C4CC4)n3)CC2)n1 ZINC000302175691 1027079520 /nfs/dbraw/zinc/07/95/20/1027079520.db2.gz ODZDWKBXENVSKJ-UHFFFAOYSA-N 0 0 338.333 3.745 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3ccc4ccccc4n3)CCO2)o1 ZINC000127057946 1027267982 /nfs/dbraw/zinc/26/79/82/1027267982.db2.gz AWYCATUEJBGHJG-BQYDLMEBSA-N 0 0 348.402 3.750 10 0 EHAERN CC(=O)Nc1nc(CN2CC=C(c3ccccc3F)CC2)cs1 ZINC000127462213 1027312260 /nfs/dbraw/zinc/31/22/60/1027312260.db2.gz AHZGCNNGBLKLKB-UHFFFAOYSA-N 0 0 331.416 3.530 10 0 EHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000128441493 1027434783 /nfs/dbraw/zinc/43/47/83/1027434783.db2.gz KXJOWMOHJVCWQX-GDBMZVCRSA-N 0 0 330.815 3.529 10 0 EHAERN CCC1(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCCC1 ZINC000128832811 1027488218 /nfs/dbraw/zinc/48/82/18/1027488218.db2.gz YPAFEKRSQKPZTB-HNNXBMFYSA-N 0 0 332.469 3.576 10 0 EHAERN C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)[C@@H]1COc2ccccc21 ZINC000129323907 1027545262 /nfs/dbraw/zinc/54/52/62/1027545262.db2.gz GEMBAFLNLMZNNC-WPRPVWTQSA-N 0 0 325.195 3.616 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cncc(C)c3)C2)cc1 ZINC000130278152 1027652955 /nfs/dbraw/zinc/65/29/55/1027652955.db2.gz AXLDSPMBMROPFA-QATOFWNMSA-N 0 0 336.435 3.816 10 0 EHAERN CC1(C)CN(C(=O)Nc2ccc3c(n2)CCCC3=O)[C@@H]2CCC[C@@H]21 ZINC000333628914 1027700747 /nfs/dbraw/zinc/70/07/47/1027700747.db2.gz HJNJLRRAPWQFQX-DZGCQCFKSA-N 0 0 327.428 3.643 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)c2cccnc12 ZINC000246095760 1027719101 /nfs/dbraw/zinc/71/91/01/1027719101.db2.gz MIHHPTWTWZFENH-KBRIMQKVSA-N 0 0 342.826 3.576 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000131887824 1027834563 /nfs/dbraw/zinc/83/45/63/1027834563.db2.gz DWFTUUNUKHLYPB-GDZNZVCISA-N 0 0 341.455 3.543 10 0 EHAERN O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@@H](c2nccs2)C1 ZINC000067047761 1028353964 /nfs/dbraw/zinc/35/39/64/1028353964.db2.gz GHYMKRXKGSUKKH-GFCCVEGCSA-N 0 0 343.427 3.712 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2oc3ccccc3c2C)c2ccccc2)[nH]1 ZINC000057797495 1028373243 /nfs/dbraw/zinc/37/32/43/1028373243.db2.gz RUJCZWJIUKAUBL-KRWDZBQOSA-N 0 0 346.390 3.687 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@@H](C)CC2CCCC2)c2ccccc2)[nH]1 ZINC000072574988 1028507107 /nfs/dbraw/zinc/50/71/07/1028507107.db2.gz WBQZQWSWYARAMC-GUYCJALGSA-N 0 0 326.444 3.535 10 0 EHAERN O=C([C@H]1CCCc2cccnc21)N1CC=C(c2ccccc2F)CC1 ZINC000194893679 1028556783 /nfs/dbraw/zinc/55/67/83/1028556783.db2.gz RLSXFCZPLHMHJF-SFHVURJKSA-N 0 0 336.410 3.957 10 0 EHAERN CCc1cccc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000195355865 1028599763 /nfs/dbraw/zinc/59/97/63/1028599763.db2.gz WMSSRLFYXAIWLU-OAHLLOKOSA-N 0 0 329.469 3.524 10 0 EHAERN c1sc(NC2CCN(c3ncccn3)CC2)nc1-c1ccccc1 ZINC000195247388 1028620695 /nfs/dbraw/zinc/62/06/95/1028620695.db2.gz RHLMJGYAYQDSKM-UHFFFAOYSA-N 0 0 337.452 3.681 10 0 EHAERN CCCCCN(C(=O)NCC[C@H]1c2ccccc2NC1=O)C(C)C ZINC000195264251 1028622421 /nfs/dbraw/zinc/62/24/21/1028622421.db2.gz JMGOOXCGTZOJDB-INIZCTEOSA-N 0 0 331.460 3.723 10 0 EHAERN Cc1ccc(C(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1 ZINC000243780804 1028696074 /nfs/dbraw/zinc/69/60/74/1028696074.db2.gz QFDGQLQXPIVVLF-UHFFFAOYSA-N 0 0 336.435 3.510 10 0 EHAERN Cc1ccc2cccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)c2n1 ZINC000247268445 1028769043 /nfs/dbraw/zinc/76/90/43/1028769043.db2.gz GQSVVAPTUOFJBO-ZMSDIMECSA-N 0 0 325.412 3.622 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2ccc(OC3CCC3)c(F)c2)[C@@H]2CCO[C@H]21 ZINC000247387862 1028785811 /nfs/dbraw/zinc/78/58/11/1028785811.db2.gz VIGDAIAXTLZSJF-IAOVAPTHSA-N 0 0 348.418 3.692 10 0 EHAERN CC(C)OCc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000247623532 1028804124 /nfs/dbraw/zinc/80/41/24/1028804124.db2.gz UBCWNBSTNVPRKK-RCCFBDPRSA-N 0 0 332.444 3.691 10 0 EHAERN CCOCc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153868187 1028845419 /nfs/dbraw/zinc/84/54/19/1028845419.db2.gz PNKCRGXILMOFKO-SFHVURJKSA-N 0 0 344.411 3.730 10 0 EHAERN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000248357197 1028866744 /nfs/dbraw/zinc/86/67/44/1028866744.db2.gz PFDMQKFUDQVZRD-FVQHAEBGSA-N 0 0 331.843 3.807 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)CCO1 ZINC000248520060 1028883937 /nfs/dbraw/zinc/88/39/37/1028883937.db2.gz BDTXLKXIWDJWOP-VDHUWJSZSA-N 0 0 331.456 3.605 10 0 EHAERN Cc1cnc([C@H](C)CNC(=O)N2C[C@H](C)[C@H]2c2ccccc2)s1 ZINC000248553022 1028888972 /nfs/dbraw/zinc/88/89/72/1028888972.db2.gz HICFSTYOISJYFE-WWGRRREGSA-N 0 0 329.469 3.958 10 0 EHAERN Cc1cc(C)c(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(Cl)n1 ZINC000248408503 1028895669 /nfs/dbraw/zinc/89/56/69/1028895669.db2.gz VNMJIIVTMZJZFN-BFYDXBDKSA-N 0 0 326.827 3.668 10 0 EHAERN CCCN(CCc1cccs1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248616387 1028925988 /nfs/dbraw/zinc/92/59/88/1028925988.db2.gz AMFNHCKZBJJQPM-BZUAXINKSA-N 0 0 336.501 3.526 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)CCO1 ZINC000248970764 1028971815 /nfs/dbraw/zinc/97/18/15/1028971815.db2.gz COZPKTIUFCFXOI-IIAWOOMASA-N 0 0 337.410 3.876 10 0 EHAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)CCO1 ZINC000248970767 1028972148 /nfs/dbraw/zinc/97/21/48/1028972148.db2.gz COZPKTIUFCFXOI-SQWLQELKSA-N 0 0 337.410 3.876 10 0 EHAERN C[C@@H](CC1CCCC1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000114353140 1029033172 /nfs/dbraw/zinc/03/31/72/1029033172.db2.gz AEVSWCXOHFALTA-HNNXBMFYSA-N 0 0 348.512 3.639 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4ccccc4cc3O)CCO2)o1 ZINC000154208304 1029057220 /nfs/dbraw/zinc/05/72/20/1029057220.db2.gz SGJXDHKMPXFTHA-LJQANCHMSA-N 0 0 337.375 3.661 10 0 EHAERN Cc1ccc2ncc(CN3C[C@@H](C)O[C@@H](c4ccsc4)C3)n2c1 ZINC000245703638 1029061120 /nfs/dbraw/zinc/06/11/20/1029061120.db2.gz DORMOFSFRWUMOT-RHSMWYFYSA-N 0 0 327.453 3.666 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(C2SCCCS2)cc1 ZINC000251507159 1029130676 /nfs/dbraw/zinc/13/06/76/1029130676.db2.gz BYEGHFJZQKRINY-XHSDSOJGSA-N 0 0 349.521 3.853 10 0 EHAERN Cc1csc([C@H]2COCCN2[C@H](C)CCc2cccc(F)c2)n1 ZINC000251559067 1029131614 /nfs/dbraw/zinc/13/16/14/1029131614.db2.gz GKUBJORRRNNATF-RHSMWYFYSA-N 0 0 334.460 3.985 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cnc(Cl)cc3C)CCO2)o1 ZINC000154620991 1029248140 /nfs/dbraw/zinc/24/81/40/1029248140.db2.gz BDFOHULUELSKLE-AWEZNQCLSA-N 0 0 335.791 3.550 10 0 EHAERN C/C=C(/CC)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000588569126 1029297958 /nfs/dbraw/zinc/29/79/58/1029297958.db2.gz TZHQOIHGWLPWPT-QIMWGGGBSA-N 0 0 326.234 3.991 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000253547293 1029337189 /nfs/dbraw/zinc/33/71/89/1029337189.db2.gz PCSIULHSRSVCNI-RVKKMQEKSA-N 0 0 341.407 3.859 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245850553 1029380577 /nfs/dbraw/zinc/38/05/77/1029380577.db2.gz MGYBRDCEDHCCQT-NLWGTHIKSA-N 0 0 339.483 3.952 10 0 EHAERN O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000078669853 1029405604 /nfs/dbraw/zinc/40/56/04/1029405604.db2.gz ATGCKNLVBGDOHY-GFCCVEGCSA-N 0 0 335.860 3.647 10 0 EHAERN Cc1nc(CC(C)C)oc1C(=O)n1ccccc1=Nc1ccccc1 ZINC000588571412 1029417921 /nfs/dbraw/zinc/41/79/21/1029417921.db2.gz UYAPORIVZGAGCH-UHFFFAOYSA-N 0 0 335.407 3.904 10 0 EHAERN Cc1cc(C[S@](=O)Cc2ncc(-c3ccccc3Cl)o2)no1 ZINC000078711157 1029431246 /nfs/dbraw/zinc/43/12/46/1029431246.db2.gz ZCALKOJKLLLZMB-JOCHJYFZSA-N 0 0 336.800 3.740 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CCO2)o1 ZINC000246037799 1029592291 /nfs/dbraw/zinc/59/22/91/1029592291.db2.gz AGGMLSJULWRVFG-BQFCYCMXSA-N 0 0 345.826 3.945 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3nnc(-c4ccccc4)s3)CCO2)o1 ZINC000155638903 1029607245 /nfs/dbraw/zinc/60/72/45/1029607245.db2.gz BQGXPXWFBURGOU-MRXNPFEDSA-N 0 0 341.436 3.680 10 0 EHAERN CCCCCC[C@](C)(CC)C(=O)NCc1cccnc1-n1cncn1 ZINC000079558076 1029662672 /nfs/dbraw/zinc/66/26/72/1029662672.db2.gz GRRCNFHVNDTJNS-IBGZPJMESA-N 0 0 343.475 3.665 10 0 EHAERN CN(c1ccccc1)C1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000079704628 1029697485 /nfs/dbraw/zinc/69/74/85/1029697485.db2.gz FPTVRYQBIGCQQI-INIZCTEOSA-N 0 0 341.282 3.698 10 0 EHAERN Cc1csc(C2CCN(Cc3nc4ccccc4n3C)CC2)n1 ZINC000156802138 1030046160 /nfs/dbraw/zinc/04/61/60/1030046160.db2.gz NBPSJKHSEYXCHD-UHFFFAOYSA-N 0 0 326.469 3.718 10 0 EHAERN COc1ccc([C@H](N[C@@H](C)c2cnc(C)s2)c2nccn2C)cc1 ZINC000090401985 1030112964 /nfs/dbraw/zinc/11/29/64/1030112964.db2.gz XCELSZJAZONVLT-SJCJKPOMSA-N 0 0 342.468 3.634 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3c(C)cc(C)cc3C)CC2)nc1 ZINC000090611856 1030148025 /nfs/dbraw/zinc/14/80/25/1030148025.db2.gz JEQQMEVLZFGBMV-UHFFFAOYSA-N 0 0 337.467 3.714 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)o1 ZINC000249200523 1030581788 /nfs/dbraw/zinc/58/17/88/1030581788.db2.gz QWIVPXMQGYLMTG-GHVFGFPKSA-N 0 0 332.444 3.638 10 0 EHAERN COCCCOc1cccc(CN2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000093865160 1030686037 /nfs/dbraw/zinc/68/60/37/1030686037.db2.gz XXIQBLGNQPSDIY-HXUWFJFHSA-N 0 0 345.439 3.577 10 0 EHAERN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632048 1030690471 /nfs/dbraw/zinc/69/04/71/1030690471.db2.gz GKFMPAYIKGLKDY-LBPRGKRZSA-N 0 0 325.343 3.693 10 0 EHAERN O=C(CCc1cc(F)ccc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000171640486 1030769799 /nfs/dbraw/zinc/76/97/99/1030769799.db2.gz WZYKAJVICCRUAP-CYBMUJFWSA-N 0 0 336.407 3.760 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3coc4ccccc34)CC2)nc1 ZINC000157712366 1030770702 /nfs/dbraw/zinc/77/07/02/1030770702.db2.gz UOFRKWYAMFPKCK-UHFFFAOYSA-N 0 0 335.407 3.535 10 0 EHAERN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000171644863 1030772380 /nfs/dbraw/zinc/77/23/80/1030772380.db2.gz AKQCNRMFNCSHIQ-VIFPVBQESA-N 0 0 342.251 3.865 10 0 EHAERN CCO[C@@H](C(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000171722776 1030812554 /nfs/dbraw/zinc/81/25/54/1030812554.db2.gz RKKMOVVZQMALDT-JKSUJKDBSA-N 0 0 330.453 3.627 10 0 EHAERN O=C(Nc1nc(C2CC2)cs1)N1CCC(Cc2ccccn2)CC1 ZINC000171808105 1030821482 /nfs/dbraw/zinc/82/14/82/1030821482.db2.gz FPNFAATZPRRMES-UHFFFAOYSA-N 0 0 342.468 3.902 10 0 EHAERN CCSCC[C@H](C)NC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000173623312 1031122797 /nfs/dbraw/zinc/12/27/97/1031122797.db2.gz FVWMMTJDUYIGIQ-HNNXBMFYSA-N 0 0 335.517 3.577 10 0 EHAERN C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)[C@@H]1c1ccccc1 ZINC000173979230 1031141598 /nfs/dbraw/zinc/14/15/98/1031141598.db2.gz QAACJDSACCWJHB-IERDGZPVSA-N 0 0 348.446 3.642 10 0 EHAERN CC(C)CCO[C@@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174066588 1031161382 /nfs/dbraw/zinc/16/13/82/1031161382.db2.gz UASRFQHQIVVAKP-HNNXBMFYSA-N 0 0 336.451 3.680 10 0 EHAERN CC(C)(C)c1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)[nH]n1 ZINC000174087332 1031164506 /nfs/dbraw/zinc/16/45/06/1031164506.db2.gz PFQUDCXQOLFXPK-UHFFFAOYSA-N 0 0 344.434 3.563 10 0 EHAERN O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCn2ccnc21 ZINC000174926602 1031259917 /nfs/dbraw/zinc/25/99/17/1031259917.db2.gz NPWUULALLDTBGJ-GOSISDBHSA-N 0 0 331.419 3.990 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000175430796 1031334829 /nfs/dbraw/zinc/33/48/29/1031334829.db2.gz ZKNSZYGUMXPPDW-DLBZAZTESA-N 0 0 342.483 3.812 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3C3CCCC3)nc21 ZINC000175740955 1031371560 /nfs/dbraw/zinc/37/15/60/1031371560.db2.gz LACYMGBITYJUKZ-QGZVFWFLSA-N 0 0 325.456 3.985 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCS[C@@H]4CCCC[C@H]43)nc21 ZINC000176230176 1031398132 /nfs/dbraw/zinc/39/81/32/1031398132.db2.gz STEZCLYASSQIBY-HZPDHXFCSA-N 0 0 343.496 3.691 10 0 EHAERN CC(C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F)=C1CCCC1 ZINC000176644053 1031466865 /nfs/dbraw/zinc/46/68/65/1031466865.db2.gz WMFJRAFBBNHUFP-MRXNPFEDSA-N 0 0 329.375 3.613 10 0 EHAERN CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177433820 1031539621 /nfs/dbraw/zinc/53/96/21/1031539621.db2.gz ZMKZKMPNFLHWCU-MRXNPFEDSA-N 0 0 329.400 3.803 10 0 EHAERN CCCCCN(C(=O)NC1CCN(c2cccc(C)n2)CC1)C(C)C ZINC000117057710 1031546809 /nfs/dbraw/zinc/54/68/09/1031546809.db2.gz DHGHGGXENOKKDC-UHFFFAOYSA-N 0 0 346.519 3.969 10 0 EHAERN COc1cc(N)c(Cl)cc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000178340195 1031683796 /nfs/dbraw/zinc/68/37/96/1031683796.db2.gz XFZCTAQIIQFGPV-UHFFFAOYSA-N 0 0 342.786 3.573 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cc(Cl)cc4c3OCOC4)CCO2)o1 ZINC000158891722 1031696231 /nfs/dbraw/zinc/69/62/31/1031696231.db2.gz WBECYXHLWZPUBO-KRWDZBQOSA-N 0 0 349.814 3.681 10 0 EHAERN Nc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000178796585 1031703172 /nfs/dbraw/zinc/70/31/72/1031703172.db2.gz HVZNXQPHALWIIV-QGZVFWFLSA-N 0 0 346.434 3.679 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(-c4ccccc4)[nH]3)CCO2)o1 ZINC000178895602 1031738924 /nfs/dbraw/zinc/73/89/24/1031738924.db2.gz TYTLYUIEMBDRKP-LJQANCHMSA-N 0 0 336.391 3.797 10 0 EHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ncncc1Cl ZINC000179205151 1031757839 /nfs/dbraw/zinc/75/78/39/1031757839.db2.gz ZKPPCBIGWBCIPZ-JTQLQIEISA-N 0 0 338.864 3.852 10 0 EHAERN CS[C@@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179348483 1031769891 /nfs/dbraw/zinc/76/98/91/1031769891.db2.gz JJKXHMZQOKQTRR-IAGOWNOFSA-N 0 0 331.437 3.592 10 0 EHAERN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117635211 1031784344 /nfs/dbraw/zinc/78/43/44/1031784344.db2.gz VIWNVZCORVANQZ-BTDLBPIBSA-N 0 0 344.798 3.802 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc2c(c1)OCCO2 ZINC000179814919 1031813896 /nfs/dbraw/zinc/81/38/96/1031813896.db2.gz CUXPXEHOOXZGTR-CYBMUJFWSA-N 0 0 338.407 3.906 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000117745341 1031845925 /nfs/dbraw/zinc/84/59/25/1031845925.db2.gz VCVDIGZBSZICQH-XIKOKIGWSA-N 0 0 338.432 3.819 10 0 EHAERN CC[C@@H]1C[C@H](C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)CCO1 ZINC000180225738 1031869227 /nfs/dbraw/zinc/86/92/27/1031869227.db2.gz BDTXLKXIWDJWOP-DZOHQFGASA-N 0 0 331.456 3.605 10 0 EHAERN O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000180712824 1031901143 /nfs/dbraw/zinc/90/11/43/1031901143.db2.gz RWSZZMJEDCNDOS-YMAMQOFZSA-N 0 0 343.393 3.633 10 0 EHAERN C[S@@](=O)Cc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117857409 1031910963 /nfs/dbraw/zinc/91/09/63/1031910963.db2.gz NJZAHICBHVFUSA-QHCPKHFHSA-N 0 0 345.489 3.556 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(F)c(C)c3)CC2)nc1 ZINC000180858975 1031915508 /nfs/dbraw/zinc/91/55/08/1031915508.db2.gz NGRNOASNLYAHFG-UHFFFAOYSA-N 0 0 328.387 3.521 10 0 EHAERN COCc1ccsc1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000181393480 1031982234 /nfs/dbraw/zinc/98/22/34/1031982234.db2.gz QFKMRZZZDWXAOA-UHFFFAOYSA-N 0 0 336.482 3.679 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc1 ZINC000181569437 1032003846 /nfs/dbraw/zinc/00/38/46/1032003846.db2.gz MDQXNDXESCFCCY-UHFFFAOYSA-N 0 0 348.805 3.866 10 0 EHAERN Cc1cc(C)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c(Cl)n1 ZINC000181929107 1032044614 /nfs/dbraw/zinc/04/46/14/1032044614.db2.gz MKLXCUWTLBKKKD-HNNXBMFYSA-N 0 0 329.831 3.678 10 0 EHAERN COc1ccccc1NC(=O)CSCc1cccc(NC(C)=O)c1 ZINC000101586459 1033833969 /nfs/dbraw/zinc/83/39/69/1033833969.db2.gz CJHGEQGEFUTJIX-UHFFFAOYSA-N 0 0 344.436 3.526 10 0 EHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000246990116 1034636598 /nfs/dbraw/zinc/63/65/98/1034636598.db2.gz KCGLAJGKWZKATG-PVAVHDDUSA-N 0 0 332.492 3.580 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000186237916 1035608396 /nfs/dbraw/zinc/60/83/96/1035608396.db2.gz GFGZQGCEECNHRH-GOSISDBHSA-N 0 0 325.408 3.656 10 0 EHAERN Cc1cc(C(=O)N2CCCN(c3ccccn3)CC2)c(Cl)cc1F ZINC000186410828 1035629110 /nfs/dbraw/zinc/62/91/10/1035629110.db2.gz UGQXUAAAVVVOMZ-UHFFFAOYSA-N 0 0 347.821 3.535 10 0 EHAERN O=C(c1ccc2ccccc2c1)N1CCCN(c2ccccn2)CC1 ZINC000186439569 1035631877 /nfs/dbraw/zinc/63/18/77/1035631877.db2.gz AHUMYUFOTQZXNO-UHFFFAOYSA-N 0 0 331.419 3.587 10 0 EHAERN CCc1ccc(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)s1 ZINC000186665777 1035681783 /nfs/dbraw/zinc/68/17/83/1035681783.db2.gz AZLOOTJCEXYMTE-UHFFFAOYSA-N 0 0 344.440 3.610 10 0 EHAERN COc1cnccc1[C@H](C)N[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000187110760 1035764244 /nfs/dbraw/zinc/76/42/44/1035764244.db2.gz BPXQDBQXSPEFPD-UONOGXRCSA-N 0 0 338.411 3.860 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000188566305 1035951159 /nfs/dbraw/zinc/95/11/59/1035951159.db2.gz JHFQDYDDYXXFTQ-HNNXBMFYSA-N 0 0 345.830 3.709 10 0 EHAERN C[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)[C@@H]1c1cccc(F)c1 ZINC000188607188 1035961934 /nfs/dbraw/zinc/96/19/34/1035961934.db2.gz MDHWJKGIMMMVOK-BUXKBTBVSA-N 0 0 338.382 3.544 10 0 EHAERN COc1ccc(OC)c(NC(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000188604564 1035963367 /nfs/dbraw/zinc/96/33/67/1035963367.db2.gz MCEYRFKNXVJNFR-HNNXBMFYSA-N 0 0 342.395 3.658 10 0 EHAERN CCOc1cccc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188653454 1035969178 /nfs/dbraw/zinc/96/91/78/1035969178.db2.gz FSVCYZYSAJKQOV-UHFFFAOYSA-N 0 0 346.456 3.650 10 0 EHAERN COc1cc(OC)c(OC)cc1CN[C@H]1CCOc2c(C)cccc21 ZINC000188951660 1036018646 /nfs/dbraw/zinc/01/86/46/1036018646.db2.gz MQBALCIAUVWSPK-INIZCTEOSA-N 0 0 343.423 3.634 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccsc3Cl)CCO2)o1 ZINC000189356152 1036060029 /nfs/dbraw/zinc/06/00/29/1036060029.db2.gz CWDOTZSKYBCUQZ-GFCCVEGCSA-N 0 0 326.805 3.908 10 0 EHAERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cn(C)nc2C)o1 ZINC000189683863 1036114749 /nfs/dbraw/zinc/11/47/49/1036114749.db2.gz QUOHWBXLCAZHMR-LRDDRELGSA-N 0 0 330.432 3.889 10 0 EHAERN CCCN(C(=O)Nc1cn(C)nc1C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000189727131 1036134494 /nfs/dbraw/zinc/13/44/94/1036134494.db2.gz VNVVGNUCSCUFQD-DLBZAZTESA-N 0 0 348.491 3.710 10 0 EHAERN CC(C)C[C@H](C)OCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189819163 1036151100 /nfs/dbraw/zinc/15/11/00/1036151100.db2.gz QXTOUUTYAHNOEH-KRWDZBQOSA-N 0 0 345.483 3.923 10 0 EHAERN O=C(CCOc1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189823222 1036153068 /nfs/dbraw/zinc/15/30/68/1036153068.db2.gz PMNDILFNSBVOKL-UHFFFAOYSA-N 0 0 337.419 3.551 10 0 EHAERN O=C(c1ccc(F)c(F)c1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189860714 1036158600 /nfs/dbraw/zinc/15/86/00/1036158600.db2.gz SWVVSSHYGJRVOW-UHFFFAOYSA-N 0 0 347.336 3.813 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2cccc(-n3ccnc3)c2)n1 ZINC000190395678 1036234221 /nfs/dbraw/zinc/23/42/21/1036234221.db2.gz DBKKYCSFVRDMPX-HOTGVXAUSA-N 0 0 338.411 3.841 10 0 EHAERN O=C(c1cccc(Cl)c1F)N1CCC(Nc2nccs2)CC1 ZINC000190410586 1036234632 /nfs/dbraw/zinc/23/46/32/1036234632.db2.gz STWAMSQQEAWZGQ-UHFFFAOYSA-N 0 0 339.823 3.652 10 0 EHAERN C[C@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1F ZINC000190433532 1036240844 /nfs/dbraw/zinc/24/08/44/1036240844.db2.gz RGWJJQZFWDVBGK-CYBMUJFWSA-N 0 0 347.459 3.879 10 0 EHAERN O=C(c1cc2c(s1)CCCC2)N1CCC(Nc2nccs2)CC1 ZINC000190439788 1036241320 /nfs/dbraw/zinc/24/13/20/1036241320.db2.gz SQUYXIMZRXRWML-UHFFFAOYSA-N 0 0 347.509 3.800 10 0 EHAERN O=C(N1CCC(Nc2nccs2)CC1)C1(Cc2ccccc2)CC1 ZINC000190400264 1036248901 /nfs/dbraw/zinc/24/89/01/1036248901.db2.gz CSYGUBBGYZVAPI-UHFFFAOYSA-N 0 0 341.480 3.569 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000190661674 1036269634 /nfs/dbraw/zinc/26/96/34/1036269634.db2.gz CBUSZVJBJOUSHO-KRWDZBQOSA-N 0 0 338.382 3.798 10 0 EHAERN Cc1cccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000190876894 1036284322 /nfs/dbraw/zinc/28/43/22/1036284322.db2.gz AHZGDTHLFYXPBZ-UHFFFAOYSA-N 0 0 336.435 3.773 10 0 EHAERN C[C@@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)c1cccnc1 ZINC000191198220 1036345655 /nfs/dbraw/zinc/34/56/55/1036345655.db2.gz WYGMVLJNYVCNQO-UKRRQHHQSA-N 0 0 330.378 3.870 10 0 EHAERN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000191217306 1036349420 /nfs/dbraw/zinc/34/94/20/1036349420.db2.gz SDBKYNXBZYGYBJ-AZUAARDMSA-N 0 0 348.446 3.980 10 0 EHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000191217289 1036350639 /nfs/dbraw/zinc/35/06/39/1036350639.db2.gz SDBKYNXBZYGYBJ-QUCCMNQESA-N 0 0 348.446 3.980 10 0 EHAERN CC(=O)c1cc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)n(C)c1 ZINC000191490274 1036391137 /nfs/dbraw/zinc/39/11/37/1036391137.db2.gz LOTOPECDSYTEIK-CYBMUJFWSA-N 0 0 346.377 3.526 10 0 EHAERN CC(=O)Nc1ccc(CN2CC3(CCOCC3)c3ccccc32)cc1 ZINC000191619736 1036399013 /nfs/dbraw/zinc/39/90/13/1036399013.db2.gz AKUITEQSSMDWCF-UHFFFAOYSA-N 0 0 336.435 3.713 10 0 EHAERN C=Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000191951032 1036447506 /nfs/dbraw/zinc/44/75/06/1036447506.db2.gz WFGFDLCSPVTLJO-SFHVURJKSA-N 0 0 349.434 3.524 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ncc(C(C)C)s3)CCO2)o1 ZINC000192398183 1036503842 /nfs/dbraw/zinc/50/38/42/1036503842.db2.gz FNNZHCCVCMOGND-ZDUSSCGKSA-N 0 0 335.429 3.773 10 0 EHAERN CC(C)c1cc(C(=O)Nc2cnc(C3CC3)nc2)nn1C(C)(C)C ZINC000103017733 1036793551 /nfs/dbraw/zinc/79/35/51/1036793551.db2.gz JXIRQRBJPRBIKR-UHFFFAOYSA-N 0 0 327.432 3.681 10 0 EHAERN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(-n2cccc2)c(F)c1 ZINC000103941859 1036976053 /nfs/dbraw/zinc/97/60/53/1036976053.db2.gz RCXFKKNUCNSJRX-UHFFFAOYSA-N 0 0 349.365 3.753 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCCCC[C@H]1c1ccncc1 ZINC000248808938 1037014628 /nfs/dbraw/zinc/01/46/28/1037014628.db2.gz KIMVVMQGCHDDAD-CEXWTWQISA-N 0 0 343.471 3.666 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc2O1 ZINC000248882410 1037056116 /nfs/dbraw/zinc/05/61/16/1037056116.db2.gz RTHHILDDOIMWCG-UWWQBHOKSA-N 0 0 344.455 3.546 10 0 EHAERN O=C(c1cccc2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000104525743 1037056668 /nfs/dbraw/zinc/05/66/68/1037056668.db2.gz LXNNHCSXZRZHSP-SJORKVTESA-N 0 0 341.476 3.967 10 0 EHAERN COCc1cccc(NC(=O)N(C)CCc2ccccc2OC)c1 ZINC000104995942 1037121660 /nfs/dbraw/zinc/12/16/60/1037121660.db2.gz QMOXUDWYWOYTNW-UHFFFAOYSA-N 0 0 328.412 3.548 10 0 EHAERN Cc1oc2nc(CSc3ncc(C(C)(C)C)o3)nc(N)c2c1C ZINC000135312438 1037126488 /nfs/dbraw/zinc/12/64/88/1037126488.db2.gz VPOVSXGDPWYSRW-UHFFFAOYSA-N 0 0 332.429 4.000 10 0 EHAERN O=[S@@](Cc1nc(-c2ccoc2)no1)Cc1ccc(F)cc1Cl ZINC000105658198 1037233643 /nfs/dbraw/zinc/23/36/43/1037233643.db2.gz IXSPNFORLYKSEP-QFIPXVFZSA-N 0 0 340.763 3.571 10 0 EHAERN COc1ccccc1CCN(C)C(=O)C[C@H](C)c1ccccc1OC ZINC000104461537 1037296785 /nfs/dbraw/zinc/29/67/85/1037296785.db2.gz DFFWDNQPDULTES-INIZCTEOSA-N 0 0 341.451 3.899 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1nccs1 ZINC000106282527 1037319667 /nfs/dbraw/zinc/31/96/67/1037319667.db2.gz NSRQXEYQVVZYQT-CQSZACIVSA-N 0 0 329.469 3.868 10 0 EHAERN COCCOc1cc(C)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117621064 1037857291 /nfs/dbraw/zinc/85/72/91/1037857291.db2.gz FSKXERCINOZTMI-IFXJQAMLSA-N 0 0 341.407 3.523 10 0 EHAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117719970 1037860056 /nfs/dbraw/zinc/86/00/56/1037860056.db2.gz HMHZXYRILVCNOJ-INIZCTEOSA-N 0 0 346.496 3.545 10 0 EHAERN Cc1nn(CC(=O)N2CC=C(c3cccs3)CC2)c(C)c1Cl ZINC000117724199 1037861829 /nfs/dbraw/zinc/86/18/29/1037861829.db2.gz CDYIWLVMBRZAMI-UHFFFAOYSA-N 0 0 335.860 3.531 10 0 EHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332755794 1037952698 /nfs/dbraw/zinc/95/26/98/1037952698.db2.gz NLTUSAQAFLODFX-HNJNHCNJSA-N 0 0 328.412 3.703 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC[C@H]2CCO[C@@H](C)C2)cs1 ZINC000332983982 1037969133 /nfs/dbraw/zinc/96/91/33/1037969133.db2.gz SFNNKRBDFWFHOC-NOLJZWGESA-N 0 0 337.489 3.503 10 0 EHAERN Cc1cccc([C@@H](NC(=O)N[C@H](C)c2ccncc2)c2ccccn2)c1 ZINC000124798561 1038237453 /nfs/dbraw/zinc/23/74/53/1038237453.db2.gz FBWLPZHZLIEONA-OXQOHEQNSA-N 0 0 346.434 3.935 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000125519191 1038340487 /nfs/dbraw/zinc/34/04/87/1038340487.db2.gz QFYJVHPFVWHVSV-PBHICJAKSA-N 0 0 332.444 3.897 10 0 EHAERN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1 ZINC000004047969 1038698594 /nfs/dbraw/zinc/69/85/94/1038698594.db2.gz LSICYZSYPLJLKI-UHFFFAOYSA-N 0 0 335.367 3.843 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112890753 1039030292 /nfs/dbraw/zinc/03/02/92/1039030292.db2.gz FMESRTQOFPOHDM-HUUCEWRRSA-N 0 0 341.317 3.757 10 0 EHAERN CC(C)[C@@H](NC(=O)N1CC[C@@H](C)C[C@H](C)C1)c1nnc2ccccn21 ZINC000124910068 1039099811 /nfs/dbraw/zinc/09/98/11/1039099811.db2.gz CCZUITUQBLBLSE-HLLBOEOZSA-N 0 0 343.475 3.504 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245972963 1039675782 /nfs/dbraw/zinc/67/57/82/1039675782.db2.gz WOZRHMNEFBAYJU-QKYXUNIQSA-N 0 0 346.446 3.540 10 0 EHAERN C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000408414769 1039738227 /nfs/dbraw/zinc/73/82/27/1039738227.db2.gz HDTOBVKHDXEECW-JKSUJKDBSA-N 0 0 343.471 3.965 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000157047985 1040389975 /nfs/dbraw/zinc/38/99/75/1040389975.db2.gz VYVQBSRLWINPGD-TZMCWYRMSA-N 0 0 345.472 3.722 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000171465686 1040504091 /nfs/dbraw/zinc/50/40/91/1040504091.db2.gz RDNLVBROSOJLRS-DLBZAZTESA-N 0 0 344.846 3.608 10 0 EHAERN O=C(NCc1ccc(C2CC2)cc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332970997 1040579785 /nfs/dbraw/zinc/57/97/85/1040579785.db2.gz DFGRZKSHZUJTRI-XLIONFOSSA-N 0 0 346.446 3.540 10 0 EHAERN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000333055995 1041162046 /nfs/dbraw/zinc/16/20/46/1041162046.db2.gz RIUSJGCSKCVTKD-MEDUHNTESA-N 0 0 346.381 3.772 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000333181413 1041414769 /nfs/dbraw/zinc/41/47/69/1041414769.db2.gz LXBCQDJPFFUCNL-WWGRRREGSA-N 0 0 327.428 3.786 10 0 EHAERN CCCCC[C@@H](NC(=O)N1CCC(n2cncn2)CC1)C(C)(C)C ZINC000115848650 1041774171 /nfs/dbraw/zinc/77/41/71/1041774171.db2.gz YRNRKNSRRHQJIG-MRXNPFEDSA-N 0 0 335.496 3.620 10 0 EHAERN Cc1nc([C@H]2CCCCCN2C(=O)[C@H]2CCc3ccccc32)no1 ZINC000408156403 1041890761 /nfs/dbraw/zinc/89/07/61/1041890761.db2.gz ZLMIKSKMRINYJZ-DLBZAZTESA-N 0 0 325.412 3.552 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)ccc1OC1CCOCC1 ZINC000330262502 1042670491 /nfs/dbraw/zinc/67/04/91/1042670491.db2.gz VCQMOLTVKYFBOQ-MAUKXSAKSA-N 0 0 344.455 3.959 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408221273 1042701020 /nfs/dbraw/zinc/70/10/20/1042701020.db2.gz FPOLUFKJLZKZLK-QKLQHJQFSA-N 0 0 330.472 3.701 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)cnc1N1CCCC[C@@H]1C ZINC000408333972 1043272666 /nfs/dbraw/zinc/27/26/66/1043272666.db2.gz KDCPWYCIIHJZQV-ZMSDIMECSA-N 0 0 331.460 3.522 10 0 EHAERN C[C@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)C(C)(C)C ZINC000112450600 1044607464 /nfs/dbraw/zinc/60/74/64/1044607464.db2.gz TXNFPQOSGQDFCE-LBPRGKRZSA-N 0 0 333.407 3.757 10 0 EHAERN COc1ccc(C(=O)C2CCN(C(=O)N[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000112461407 1044608929 /nfs/dbraw/zinc/60/89/29/1044608929.db2.gz FQOHGMHKUVLZCV-AWEZNQCLSA-N 0 0 346.471 3.734 10 0 EHAERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)cn1 ZINC000408397872 1044875226 /nfs/dbraw/zinc/87/52/26/1044875226.db2.gz VLTQDFRQDRUEKL-CIRFHOKZSA-N 0 0 347.503 3.702 10 0 EHAERN Cc1ccc(CCC(=O)Oc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000103045545 1132645526 /nfs/dbraw/zinc/64/55/26/1132645526.db2.gz IINAHPWOKMXIAQ-UHFFFAOYSA-N 0 0 337.419 3.769 10 0 EHAERN CCCc1ccccc1NC(=O)NCCCNC(=O)OC(C)(C)C ZINC000103570108 1134769552 /nfs/dbraw/zinc/76/95/52/1134769552.db2.gz MMTFJYIQGVCOKQ-UHFFFAOYSA-N 0 0 335.448 3.675 10 0 EHAERN COc1ccc2nc(C(=O)Nc3cccc(C(F)(F)F)n3)ccc2c1 ZINC000101824523 1135400217 /nfs/dbraw/zinc/40/02/17/1135400217.db2.gz IXVDZHKKXVGXFH-UHFFFAOYSA-N 0 0 347.296 3.910 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)C3CCCCC3)C2)o1 ZINC000102143134 1135464976 /nfs/dbraw/zinc/46/49/76/1135464976.db2.gz WLLDTQGWFYIYEU-HNNXBMFYSA-N 0 0 333.428 3.564 10 0 EHAERN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(C)c(OC)c(C)c1)N2 ZINC000102417559 1135551476 /nfs/dbraw/zinc/55/14/76/1135551476.db2.gz GVCGSOPORLQIQZ-SFHVURJKSA-N 0 0 326.396 3.517 10 0 EHAERN CC(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 ZINC000102744507 1135639285 /nfs/dbraw/zinc/63/92/85/1135639285.db2.gz FFZKWAQJWMFGBM-VXGBXAGGSA-N 0 0 344.377 3.914 10 0 EHAERN CCc1onc(C)c1C(=O)Oc1cccc(OCC(F)(F)F)c1 ZINC000105379034 1135945035 /nfs/dbraw/zinc/94/50/35/1135945035.db2.gz PINRKYCYIDTNTO-UHFFFAOYSA-N 0 0 329.274 3.706 10 0 EHAERN Cc1ccc(-c2cnc(CCC(=O)OCCc3cccnc3)o2)cc1 ZINC000105555716 1135953632 /nfs/dbraw/zinc/95/36/32/1135953632.db2.gz NPTOWQMWLFPOKX-UHFFFAOYSA-N 0 0 336.391 3.764 10 0 EHAERN CC[C@H](C)c1ccc(OC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000105755249 1135969445 /nfs/dbraw/zinc/96/94/45/1135969445.db2.gz XNPHSCGBMDNBSB-YOEHRIQHSA-N 0 0 329.440 3.754 10 0 EHAERN Cc1nnc(SCC(=O)O[C@@H](C)CC(C)C)n1Cc1ccccc1 ZINC000103673818 1137470783 /nfs/dbraw/zinc/47/07/83/1137470783.db2.gz YRJBJIGVTPBODO-AWEZNQCLSA-N 0 0 347.484 3.705 10 0 EHAERN Cc1nn(C)c(C)c1CC(=O)OCCCc1ccc(OC(C)C)cc1 ZINC000103674816 1137470973 /nfs/dbraw/zinc/47/09/73/1137470973.db2.gz YFFUDQNRQPDIPH-UHFFFAOYSA-N 0 0 344.455 3.543 10 0 EHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2F)cc1 ZINC000102251942 1137872579 /nfs/dbraw/zinc/87/25/79/1137872579.db2.gz FFALBBLUXNZSJV-WFASDCNBSA-N 0 0 326.371 3.697 10 0 EHAERN C[C@@H](NC(=O)N(C)C[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000102901863 1137874396 /nfs/dbraw/zinc/87/43/96/1137874396.db2.gz LGFONXUNMODCHN-BXUZGUMPSA-N 0 0 330.350 3.587 10 0 EHAERN CC1(C)CC=C(c2nc([C@@H]3CC(=O)N(CC4CCC4)C3)no2)CC1 ZINC000333839217 1138337381 /nfs/dbraw/zinc/33/73/81/1138337381.db2.gz NAOBSCHZPZOYMI-OAHLLOKOSA-N 0 0 329.444 3.779 10 0 EHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333917162 1138347666 /nfs/dbraw/zinc/34/76/66/1138347666.db2.gz BYHAVYIUOUUVMC-RKTXRCNFSA-N 0 0 339.435 3.554 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCOc2cccc(F)c2)cs1 ZINC000186180069 1140191063 /nfs/dbraw/zinc/19/10/63/1140191063.db2.gz PUZDGNQLPOOFBW-INIZCTEOSA-N 0 0 349.431 3.516 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(Cl)nc2)cs1 ZINC000186235653 1140193918 /nfs/dbraw/zinc/19/39/18/1140193918.db2.gz BGTJSIASSYMGOW-ZDUSSCGKSA-N 0 0 336.848 3.547 10 0 EHAERN O=C(CCCCCc1ccc(F)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000187474320 1140256573 /nfs/dbraw/zinc/25/65/73/1140256573.db2.gz BDRXWRJXEWWBNO-KRWDZBQOSA-N 0 0 344.434 3.801 10 0 EHAERN COc1ccc(C)nc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189383071 1140339982 /nfs/dbraw/zinc/33/99/82/1140339982.db2.gz DJHRRDKLSJPPKS-ZDUSSCGKSA-N 0 0 332.429 3.533 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2)cs1 ZINC000189813683 1140365569 /nfs/dbraw/zinc/36/55/69/1140365569.db2.gz PGHHCFWKWLSUBN-HNNXBMFYSA-N 0 0 335.860 3.881 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000190102557 1140386693 /nfs/dbraw/zinc/38/66/93/1140386693.db2.gz NLYZXWDAOWQWCQ-IAGOWNOFSA-N 0 0 329.444 3.638 10 0 EHAERN Cc1cc(Br)ccc1NC(=O)c1cnc(N)c(Cl)c1 ZINC000050694653 214067514 /nfs/dbraw/zinc/06/75/14/214067514.db2.gz MCQHRVWKPGCVMG-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN O[C@H](Cc1ccc(F)cc1)Cc1cc(Br)ccc1F ZINC000053783575 214197362 /nfs/dbraw/zinc/19/73/62/214197362.db2.gz WOZFTLMOSXFIJK-CQSZACIVSA-N 0 0 327.168 3.873 10 0 EHAERN COc1cccc(C[C@H](O)Cc2ccc(Br)s2)c1 ZINC000053785548 214197704 /nfs/dbraw/zinc/19/77/04/214197704.db2.gz PHMSEGLKOOHOBB-NSHDSACASA-N 0 0 327.243 3.665 10 0 EHAERN O=C(CCOCC(F)(F)F)Cc1cccc(Br)c1 ZINC000053766159 214198080 /nfs/dbraw/zinc/19/80/80/214198080.db2.gz RZZKFCCGVJSABI-UHFFFAOYSA-N 0 0 325.124 3.530 10 0 EHAERN CCOC(=O)c1c(N)n(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000053994102 214209974 /nfs/dbraw/zinc/20/99/74/214209974.db2.gz ZGHPRXBQZZESKB-UHFFFAOYSA-N 0 0 341.798 3.952 10 0 EHAERN CO[C@]1(C)CC/C(=C\c2ccc(Cl)cc2)C[C@@]1(O)Cn1ccnc1 ZINC000058976327 214611723 /nfs/dbraw/zinc/61/17/23/214611723.db2.gz MVCJQNURLZMSFL-KJMPDUOLSA-N 0 0 346.858 3.940 10 0 EHAERN CCOC(=O)Cc1cnc(Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000098181436 219087192 /nfs/dbraw/zinc/08/71/92/219087192.db2.gz ABJBKFHKSJEHGQ-UHFFFAOYSA-N 0 0 346.330 3.891 10 0 EHAERN O=C1N(Cc2ccccc2F)c2ccccc2[C@]1(O)c1ccccc1 ZINC000065155579 214834289 /nfs/dbraw/zinc/83/42/89/214834289.db2.gz UXBAFXNRZOFNDV-OAQYLSRUSA-N 0 0 333.362 3.608 10 0 EHAERN CC(C)c1nnc(-c2sccc2NC(=O)COc2ccccc2)o1 ZINC000065218758 214845387 /nfs/dbraw/zinc/84/53/87/214845387.db2.gz NFOWYGGIOSHYDT-UHFFFAOYSA-N 0 0 343.408 3.939 10 0 EHAERN CCOCC(=O)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254886 214855327 /nfs/dbraw/zinc/85/53/27/214855327.db2.gz BMEAAVCCQIGBTC-UHFFFAOYSA-N 0 0 328.437 3.613 10 0 EHAERN Brc1cnc(Oc2ccccc2Br)nc1 ZINC000067119554 215114430 /nfs/dbraw/zinc/11/44/30/215114430.db2.gz LNMVYKQOAUNMQS-UHFFFAOYSA-N 0 0 329.979 3.794 10 0 EHAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1ccccn1 ZINC000040779131 213385588 /nfs/dbraw/zinc/38/55/88/213385588.db2.gz ALVJXFANOHRBJU-UHFFFAOYSA-N 0 0 330.754 3.734 10 0 EHAERN CCN(CC)c1ncnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040723229 213376411 /nfs/dbraw/zinc/37/64/11/213376411.db2.gz OMXGYTXEDWADIH-UHFFFAOYSA-N 0 0 325.338 3.667 10 0 EHAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1cc(Br)ccc1F ZINC000069102514 215359588 /nfs/dbraw/zinc/35/95/88/215359588.db2.gz QHUSPXQJYOCROP-SNVBAGLBSA-N 0 0 331.229 3.774 10 0 EHAERN CCN(CC)c1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700870 213370890 /nfs/dbraw/zinc/37/08/90/213370890.db2.gz CMHSPPAJRXOFFD-UHFFFAOYSA-N 0 0 326.231 3.955 10 0 EHAERN COc1ccc(C)cc1Nc1ncnc(Nc2ccc(C)cn2)c1N ZINC000040684472 213368944 /nfs/dbraw/zinc/36/89/44/213368944.db2.gz QLGUEXMASDQXKF-UHFFFAOYSA-N 0 0 336.399 3.566 10 0 EHAERN CC(=O)Nc1cc2c(cc1I)-c1ccccc1C2 ZINC000002019055 209810872 /nfs/dbraw/zinc/81/08/72/209810872.db2.gz YZDSPXZIPHPBKZ-UHFFFAOYSA-N 0 0 349.171 3.821 10 0 EHAERN CC(C)c1nc2ccccc2n1CC(=O)NCc1ccc(F)cc1 ZINC000040295686 213289993 /nfs/dbraw/zinc/28/99/93/213289993.db2.gz QKEDQOAXTMGPBR-UHFFFAOYSA-N 0 0 325.387 3.615 10 0 EHAERN COc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OC)c1OC ZINC000001625608 209769971 /nfs/dbraw/zinc/76/99/71/209769971.db2.gz SYAOAXJVQVJDPD-AATRIKPKSA-N 0 0 328.364 3.808 10 0 EHAERN O=C(COc1ccc2ccc(=O)oc2c1)c1ccc(OC(F)F)cc1 ZINC000001465664 209751967 /nfs/dbraw/zinc/75/19/67/209751967.db2.gz UOWZRHIXRZQLQU-UHFFFAOYSA-N 0 0 346.285 3.656 10 0 EHAERN Nc1cc(F)c(Nc2ccccc2I)c(F)c1 ZINC000038039991 213196785 /nfs/dbraw/zinc/19/67/85/213196785.db2.gz KTDWKPFXLAFAFN-UHFFFAOYSA-N 0 0 346.118 3.895 10 0 EHAERN Nc1cc(F)c(Nc2cccc(I)c2)c(F)c1 ZINC000038039990 213196854 /nfs/dbraw/zinc/19/68/54/213196854.db2.gz MGZSQMJBHSOILO-UHFFFAOYSA-N 0 0 346.118 3.895 10 0 EHAERN Nc1ccc(F)c(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000038001337 213186130 /nfs/dbraw/zinc/18/61/30/213186130.db2.gz MARZTIFKXBNALJ-UHFFFAOYSA-N 0 0 329.158 3.732 10 0 EHAERN CCOC(=O)[C@H](NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000037973854 213178762 /nfs/dbraw/zinc/17/87/62/213178762.db2.gz RAUTUKBMBHLEGV-SNVBAGLBSA-N 0 0 330.133 3.750 10 0 EHAERN COC(=O)[C@@H](NC1CCCCC1)c1cc(Br)ccc1F ZINC000037972014 213177635 /nfs/dbraw/zinc/17/76/35/213177635.db2.gz PKQSYDAQAZTUBQ-AWEZNQCLSA-N 0 0 344.224 3.725 10 0 EHAERN COC(=O)[C@@H](NC1CCCCCC1)c1cccc(Br)c1 ZINC000037972645 213177354 /nfs/dbraw/zinc/17/73/54/213177354.db2.gz IUSCFCBQJGHWOL-HNNXBMFYSA-N 0 0 340.261 3.976 10 0 EHAERN NC(=O)[C@@H](Nc1ccccc1Cl)c1ccc(Br)cc1 ZINC000037942327 213175466 /nfs/dbraw/zinc/17/54/66/213175466.db2.gz KIFNZSQABGQBGZ-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=O)[C@@H](Nc1ccccc1Br)c1cccc(Cl)c1 ZINC000037944057 213175420 /nfs/dbraw/zinc/17/54/20/213175420.db2.gz MYFLOOWVMVEDNZ-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN COC(=O)[C@@H](Nc1cccc(Br)c1)C1CCCCC1 ZINC000037960889 213176302 /nfs/dbraw/zinc/17/63/02/213176302.db2.gz QALVHBCSEMEPQN-AWEZNQCLSA-N 0 0 326.234 3.983 10 0 EHAERN Cc1ccc2n1CCN(C(=O)c1csc(Br)c1)[C@H]2C ZINC000037845010 213169703 /nfs/dbraw/zinc/16/97/03/213169703.db2.gz JAAQJDOWUUYXOT-JTQLQIEISA-N 0 0 339.258 3.838 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N[C@H](C)c1ccco1 ZINC000037506979 213151402 /nfs/dbraw/zinc/15/14/02/213151402.db2.gz NFEHHOPVEPAHCO-SNVBAGLBSA-N 0 0 325.206 3.745 10 0 EHAERN O=C(NC1CC1)c1cc2sccc2n1CCOc1ccccc1 ZINC000037526184 213154130 /nfs/dbraw/zinc/15/41/30/213154130.db2.gz HCTRLHCSTJJJMG-UHFFFAOYSA-N 0 0 326.421 3.674 10 0 EHAERN O=C(CNc1ccc(Br)cc1Cl)NC1CCCC1 ZINC000037388819 213142961 /nfs/dbraw/zinc/14/29/61/213142961.db2.gz JKMMZQQZZPKIBL-UHFFFAOYSA-N 0 0 331.641 3.573 10 0 EHAERN CCOc1cc(CO)cc(Br)c1OCc1ccsc1 ZINC000036867036 213124811 /nfs/dbraw/zinc/12/48/11/213124811.db2.gz DVWYLXZEKHXUAG-UHFFFAOYSA-N 0 0 343.242 3.981 10 0 EHAERN O=C(Nc1cccc(Br)n1)c1cc(Cl)cn1C1CC1 ZINC000036857729 213124031 /nfs/dbraw/zinc/12/40/31/213124031.db2.gz IEJQRSRPHNBDNT-UHFFFAOYSA-N 0 0 340.608 3.886 10 0 EHAERN CCc1cc(Cl)nc(-c2cc3c(c(Br)c2)OCO3)n1 ZINC000036755877 213117301 /nfs/dbraw/zinc/11/73/01/213117301.db2.gz NGRZCDHFSSDZDM-UHFFFAOYSA-N 0 0 341.592 3.851 10 0 EHAERN O=C(Cc1ccccc1)N1CCC[C@H](OCc2cc(F)cc(F)c2)C1 ZINC000036315362 213084139 /nfs/dbraw/zinc/08/41/39/213084139.db2.gz XBNIKZGFUJISGD-IBGZPJMESA-N 0 0 345.389 3.715 10 0 EHAERN O=S1(=O)CCC(Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000035652126 213043606 /nfs/dbraw/zinc/04/36/06/213043606.db2.gz NLMWGFFZWRKOSQ-UHFFFAOYSA-N 0 0 328.648 3.636 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCCCOc1ccccc1 ZINC000035143559 213010548 /nfs/dbraw/zinc/01/05/48/213010548.db2.gz AEKDETPHNKKKGT-UHFFFAOYSA-N 0 0 349.434 3.698 10 0 EHAERN CCCCCN1C(=O)C(=O)c2cc(Cl)cc(Br)c21 ZINC000033494350 212942164 /nfs/dbraw/zinc/94/21/64/212942164.db2.gz FSLVYHUXDNTIBD-UHFFFAOYSA-N 0 0 330.609 3.822 10 0 EHAERN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ncccn1 ZINC000000123562 209436805 /nfs/dbraw/zinc/43/68/05/209436805.db2.gz WERCAEDWALWVKZ-UHFFFAOYSA-N 0 0 344.827 3.783 10 0 EHAERN O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3ccc(F)cc3)c12 ZINC000072440699 216235358 /nfs/dbraw/zinc/23/53/58/216235358.db2.gz HJVOPWCYRZVXPY-UHFFFAOYSA-N 0 0 346.365 3.736 10 0 EHAERN CCCN1CN(c2cccc(C)c2C)c2nc(C)c(CC)c(=O)n2C1 ZINC000072442998 216236407 /nfs/dbraw/zinc/23/64/07/216236407.db2.gz BDWBHDHWOAGUPT-UHFFFAOYSA-N 0 0 340.471 3.510 10 0 EHAERN CC(C)NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072451192 216239863 /nfs/dbraw/zinc/23/98/63/216239863.db2.gz YEXDCHVBRQMVTD-UHFFFAOYSA-N 0 0 332.403 3.847 10 0 EHAERN Cc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(N2CCCC2)n1 ZINC000072461991 216243874 /nfs/dbraw/zinc/24/38/74/216243874.db2.gz UGXPCWBFVCGZBQ-UHFFFAOYSA-N 0 0 339.830 3.891 10 0 EHAERN CC[C@H](C)[C@@H](N[C@@H](C)c1ccc(Br)s1)C(=O)OC ZINC000038003042 213186757 /nfs/dbraw/zinc/18/67/57/213186757.db2.gz UOBVFBPKGZQQBZ-HOTUBEGUSA-N 0 0 334.279 3.749 10 0 EHAERN COc1cc2nncc(-c3cnc(NC(C)C)c(C)c3)c2cc1OC ZINC000073373260 216381434 /nfs/dbraw/zinc/38/14/34/216381434.db2.gz CDCZTLPFRMEYFM-UHFFFAOYSA-N 0 0 338.411 3.838 10 0 EHAERN NS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2Cl)s1 ZINC000211818787 241086230 /nfs/dbraw/zinc/08/62/30/241086230.db2.gz XLFLSQCDQFMKOG-UHFFFAOYSA-N 0 0 340.278 3.854 10 0 EHAERN Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccccc1)CC(=O)N2 ZINC000021661231 212239332 /nfs/dbraw/zinc/23/93/32/212239332.db2.gz RXLFSNWBRZFOKN-AWEZNQCLSA-N 0 0 344.374 3.796 10 0 EHAERN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1)C1CC1 ZINC000021145321 212210907 /nfs/dbraw/zinc/21/09/07/212210907.db2.gz VORIIQYUSQNSIX-UHFFFAOYSA-N 0 0 340.766 3.857 10 0 EHAERN COc1cccc(-c2ocnc2C(=O)NCCC2=CCCCC2)c1 ZINC000021044602 212203729 /nfs/dbraw/zinc/20/37/29/212203729.db2.gz ORPPUEWKMONIJQ-UHFFFAOYSA-N 0 0 326.396 3.971 10 0 EHAERN CCC(=O)c1cccc(-c2cccc(-c3ccn(CC(=O)NC)n3)c2)c1 ZINC000020866013 212178254 /nfs/dbraw/zinc/17/82/54/212178254.db2.gz LUFORQLXYNMQDM-UHFFFAOYSA-N 0 0 347.418 3.556 10 0 EHAERN CCOC(=O)c1cnc2c(Br)cc(F)cc2c1Cl ZINC000020430936 212127725 /nfs/dbraw/zinc/12/77/25/212127725.db2.gz NOUORPGYFXUKPK-UHFFFAOYSA-N 0 0 332.556 3.967 10 0 EHAERN CCCC[N@H+](C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000020342569 212121777 /nfs/dbraw/zinc/12/17/77/212121777.db2.gz CVSUSUYKZSTJJQ-UHFFFAOYSA-N 0 0 346.452 3.784 10 0 EHAERN CCOc1ccc(/N=c2\scc(OC(=O)CC)n2C(=O)CC)cc1 ZINC000011638092 211228258 /nfs/dbraw/zinc/22/82/58/211228258.db2.gz BMHBEPJXFMAUCI-ZCXUNETKSA-N 0 0 348.424 3.546 10 0 EHAERN CCC(=O)Oc1c(C)s/c(=N\c2cccc(C)c2)n1C(=O)CC ZINC000011638106 211227952 /nfs/dbraw/zinc/22/79/52/211227952.db2.gz GCFQNITYPJVVFS-ZCXUNETKSA-N 0 0 332.425 3.764 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccccc2o1 ZINC000095086649 218277640 /nfs/dbraw/zinc/27/76/40/218277640.db2.gz GXBLNRJSBYNFTN-ZDUSSCGKSA-N 0 0 332.400 3.996 10 0 EHAERN Cc1cc(C)nc(OCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095089863 218279182 /nfs/dbraw/zinc/27/91/82/218279182.db2.gz AIQAIWAWNQBCJA-OAHLLOKOSA-N 0 0 335.448 3.509 10 0 EHAERN COc1ccc(-c2cc3ncnc(NC[C@H]4CCCO4)c3s2)cc1 ZINC000008327778 210936232 /nfs/dbraw/zinc/93/62/32/210936232.db2.gz CDRITBZDPCYBEF-CQSZACIVSA-N 0 0 341.436 3.958 10 0 EHAERN Cc1ccc(S(=O)(=O)n2cc(Cl)c(=O)c3ccc(C)cc32)cc1 ZINC000095932510 218450040 /nfs/dbraw/zinc/45/00/40/218450040.db2.gz NNAIRRZBGVXWKT-UHFFFAOYSA-N 0 0 347.823 3.509 10 0 EHAERN C[C@H](NS(=O)(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000007306836 210781884 /nfs/dbraw/zinc/78/18/84/210781884.db2.gz XMBSHHXICJNZQN-VIFPVBQESA-N 0 0 331.771 3.658 10 0 EHAERN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)[C@@H]1CCCO1 ZINC000006781412 210709209 /nfs/dbraw/zinc/70/92/09/210709209.db2.gz KDSQDZUROFCWBY-HNNXBMFYSA-N 0 0 339.420 3.784 10 0 EHAERN Cc1nc(COC[C@]23CCC[C@H]2CN(C(=O)c2ccco2)C3)cs1 ZINC000248048185 257668343 /nfs/dbraw/zinc/66/83/43/257668343.db2.gz RKXKNGNJUICJQY-KBXCAEBGSA-N 0 0 346.452 3.504 10 0 EHAERN CC(C)c1nccc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1 ZINC000328629769 258029674 /nfs/dbraw/zinc/02/96/74/258029674.db2.gz PDPWYKVSAZWOCY-INIZCTEOSA-N 0 0 325.460 3.554 10 0 EHAERN Cc1ccnc2[nH]cc(N3CCN(c4ccc(Cl)cc4)CC3)c21 ZINC000035949664 132391327 /nfs/dbraw/zinc/39/13/27/132391327.db2.gz BDHNPGAPJXPLGI-UHFFFAOYSA-N 0 0 326.831 3.851 10 0 EHAERN CC(C)[C@H](Sc1nnc(C2CC2)[nH]1)C(=O)N[C@H](C)c1ccccc1 ZINC000030628586 519823974 /nfs/dbraw/zinc/82/39/74/519823974.db2.gz PFRWJSOZBKSQDD-DOMZBBRYSA-N 0 0 344.484 3.676 10 0 EHAERN CC[C@@H](NC(=O)N[C@@H]1CCCc2c(O)cccc21)c1nc(C)cs1 ZINC000188659376 522740631 /nfs/dbraw/zinc/74/06/31/522740631.db2.gz RJOYEMMSXVOZMF-HUUCEWRRSA-N 0 0 345.468 3.985 10 0 EHAERN C[C@@H]1CN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C[C@@H](C)O1 ZINC000028263689 524737958 /nfs/dbraw/zinc/73/79/58/524737958.db2.gz HBJJMVYJEHBBRI-WUOSCTTQSA-N 0 0 330.815 3.537 10 0 EHAERN CCOc1ccc(NC(=S)Nc2cc(C)nc(SC)n2)cc1 ZINC000003130368 563473532 /nfs/dbraw/zinc/47/35/32/563473532.db2.gz RBTJLMSYWIOHMN-UHFFFAOYSA-N 0 0 334.470 3.715 10 0 EHAERN CCc1ncc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)s1 ZINC000328626779 564017031 /nfs/dbraw/zinc/01/70/31/564017031.db2.gz MCJSUOUYCWKTCU-NSHDSACASA-N 0 0 335.498 3.663 10 0 EHAERN Cc1nc2cc(C)c(C)cc2n1CCCNC(=O)NC1CCCCC1 ZINC000006804052 564085126 /nfs/dbraw/zinc/08/51/26/564085126.db2.gz YFPCTYQJCWWJDI-UHFFFAOYSA-N 0 0 342.487 3.984 10 0 EHAERN Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(Cl)cc1 ZINC000006806365 564098320 /nfs/dbraw/zinc/09/83/20/564098320.db2.gz DXKGIAOCFLTOQU-UHFFFAOYSA-N 0 0 331.828 3.826 10 0 EHAERN CCCc1nc2cccnc2n1[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000065271479 564103796 /nfs/dbraw/zinc/10/37/96/564103796.db2.gz NYMTVJOHJVGIJF-INIZCTEOSA-N 0 0 349.438 3.863 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@]2(F)c2ccccc2)no1 ZINC000412142786 564117861 /nfs/dbraw/zinc/11/78/61/564117861.db2.gz BZGUSZQTMVSBTN-ZRGWGRIASA-N 0 0 343.402 3.741 10 0 EHAERN O=C(/C=C/c1c2c(ccc1Br)OCO2)Nc1ccccc1 ZINC000048545686 564129372 /nfs/dbraw/zinc/12/93/72/564129372.db2.gz TXBAZSOCTSNSQS-RMKNXTFCSA-N 0 0 346.180 3.830 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1C1CC1 ZINC000225621494 564150030 /nfs/dbraw/zinc/15/00/30/564150030.db2.gz GZBPBYOFRYKSJL-UHOSZYNNSA-N 0 0 343.467 3.728 10 0 EHAERN CC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc(C)cc1Cl ZINC000015773090 564173961 /nfs/dbraw/zinc/17/39/61/564173961.db2.gz VPWZXRYKENGEHM-QGZVFWFLSA-N 0 0 328.799 3.565 10 0 EHAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962024 564177233 /nfs/dbraw/zinc/17/72/33/564177233.db2.gz RBJDZEGWLJMZDQ-LSDHHAIUSA-N 0 0 335.444 3.712 10 0 EHAERN C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000006037057 571691114 /nfs/dbraw/zinc/69/11/14/571691114.db2.gz SCPADBBISMMJAW-OYMMSLOLSA-N 0 0 336.516 3.502 10 0 endogenous,in-man EHAERN O=C([O-])C1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000630449528 975264859 /nfs/dbraw/zinc/26/48/59/975264859.db2.gz JXPOYPJIBUDWKP-UHFFFAOYSA-N 0 0 346.652 3.836 10 0 EHAERN COC(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1F ZINC000182320610 1032088783 /nfs/dbraw/zinc/08/87/83/1032088783.db2.gz UYRKRXCFTMWVHL-HWPZZCPQSA-N 0 0 344.342 3.507 10 0 EHAERN CN(Cc1ccccc1)C1(C[NH2+]Cc2csc(C(=O)[O-])c2)CCC1 ZINC000689089936 976215767 /nfs/dbraw/zinc/21/57/67/976215767.db2.gz SIAWSYFDKQBTQU-UHFFFAOYSA-N 0 0 344.480 3.591 10 0 EHAERN Cc1ccc(-c2cc(CN(CC(=O)[O-])Cc3ccccc3)on2)cc1 ZINC000692462092 976493449 /nfs/dbraw/zinc/49/34/49/976493449.db2.gz SKYUFHFTFICGOY-UHFFFAOYSA-N 0 0 336.391 3.737 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H](C)c1ccncc1 ZINC000182361831 1032092173 /nfs/dbraw/zinc/09/21/73/1032092173.db2.gz KXYDINCVDIEWHR-GUYCJALGSA-N 0 0 341.459 3.809 10 0 EHAERN c1nc([C@H]2CCCCN2Cc2csc(Cc3ccccc3)n2)n[nH]1 ZINC000182705125 1032124301 /nfs/dbraw/zinc/12/43/01/1032124301.db2.gz SQNUATUBEPGILN-MRXNPFEDSA-N 0 0 339.468 3.579 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000182755208 1032125905 /nfs/dbraw/zinc/12/59/05/1032125905.db2.gz IEWKQVFZDAJDOF-LLVKDONJSA-N 0 0 340.214 3.871 10 0 EHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000177988451 1016510236 /nfs/dbraw/zinc/51/02/36/1016510236.db2.gz AZZOBGAYJNFDKX-KUHUBIRLSA-N 0 0 344.842 3.655 10 0 EHAERN Cc1csc(-c2cccc(NC(=O)N3CCCO[C@@H](C)C3)c2)n1 ZINC000408011436 1016907463 /nfs/dbraw/zinc/90/74/63/1016907463.db2.gz QXDSISXZNSFDJL-ZDUSSCGKSA-N 0 0 331.441 3.761 10 0 EHAERN CSCCCCCCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000183279787 1032188690 /nfs/dbraw/zinc/18/86/90/1032188690.db2.gz HRGYKTGOOKAQNI-MRXNPFEDSA-N 0 0 340.489 3.594 10 0 EHAERN CO[C@@H](C)CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183607001 1032211153 /nfs/dbraw/zinc/21/11/53/1032211153.db2.gz PHJKGVPQGFBESY-RDJZCZTQSA-N 0 0 341.455 3.598 10 0 EHAERN CC(C)C[C@@H](C)S(=O)(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000118431835 1032242913 /nfs/dbraw/zinc/24/29/13/1032242913.db2.gz IYTNSRYATCOEJV-UKRRQHHQSA-N 0 0 338.498 3.587 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cc(C)ccn3)C2)cc1 ZINC000184062079 1032268796 /nfs/dbraw/zinc/26/87/96/1032268796.db2.gz YXMYZZZVFXENHO-HOCLYGCPSA-N 0 0 325.412 3.809 10 0 EHAERN Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)ccc1N(C)C ZINC000080741665 1032284646 /nfs/dbraw/zinc/28/46/46/1032284646.db2.gz WKYFWPFNDUDQBF-FUHWJXTLSA-N 0 0 341.459 3.563 10 0 EHAERN C[C@H](c1cnccn1)[S@@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000185174238 1032357614 /nfs/dbraw/zinc/35/76/14/1032357614.db2.gz BDCQJZJBNGHJEG-BGJPBQGDSA-N 0 0 347.827 3.795 10 0 EHAERN CCCC(CCC)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185539460 1032440808 /nfs/dbraw/zinc/44/08/08/1032440808.db2.gz XWMLHIVPELBDHF-LJQANCHMSA-N 0 0 348.462 3.952 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccccc3C)C2)c1 ZINC000081642442 1032615929 /nfs/dbraw/zinc/61/59/29/1032615929.db2.gz ZSXGCLIYAPIRNB-HNNXBMFYSA-N 0 0 325.408 3.642 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CC3=CCCCC3)C2)c1 ZINC000081640386 1032616033 /nfs/dbraw/zinc/61/60/33/1032616033.db2.gz FNUVTYNMJPUHQL-MRXNPFEDSA-N 0 0 329.440 3.910 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCCC[C@H]1c1ncc[nH]1 ZINC000119238867 1032770014 /nfs/dbraw/zinc/77/00/14/1032770014.db2.gz ZCKIDMUOTBIOPF-SJORKVTESA-N 0 0 342.418 3.863 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cc(F)ccc1F ZINC000114565133 1018611236 /nfs/dbraw/zinc/61/12/36/1018611236.db2.gz TWYASFFGGQEHON-OAHLLOKOSA-N 0 0 334.370 3.684 10 0 EHAERN C[C@@H]1CC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000333375829 1019431483 /nfs/dbraw/zinc/43/14/83/1019431483.db2.gz WPVJZDYUELPXEB-OLZOCXBDSA-N 0 0 325.412 3.950 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119166630 1019907916 /nfs/dbraw/zinc/90/79/16/1019907916.db2.gz WOZRHMNEFBAYJU-ZTNFWEORSA-N 0 0 346.446 3.540 10 0 EHAERN COC(=O)c1csc(NC(=O)/C=C\c2ccnc(Cl)c2)c1C ZINC000588387572 1019979760 /nfs/dbraw/zinc/97/97/60/1019979760.db2.gz NSVKQZXPSGYYMT-ARJAWSKDSA-N 0 0 336.800 3.543 10 0 EHAERN CCC[C@]1(C)CCCN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000153921458 1032947428 /nfs/dbraw/zinc/94/74/28/1032947428.db2.gz WSXPXOUKCHFDRE-DNVCBOLYSA-N 0 0 347.507 3.848 10 0 EHAERN COc1cc(OC(=O)C/C=C\c2cccc(F)c2)cc(OC)c1OC ZINC000588427819 1021764883 /nfs/dbraw/zinc/76/48/83/1021764883.db2.gz MGXCMOGEDRLPEN-ALCCZGGFSA-N 0 0 346.354 3.860 10 0 EHAERN CCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164646150 1021807861 /nfs/dbraw/zinc/80/78/61/1021807861.db2.gz UPOYLVBBCDOPRW-JZXOWHBKSA-N 0 0 334.504 3.595 10 0 EHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128165307 1022414888 /nfs/dbraw/zinc/41/48/88/1022414888.db2.gz DVUMUZXHVABHII-LRDDRELGSA-N 0 0 328.239 3.761 10 0 EHAERN Cn1nccc1CNC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000101937622 1022786086 /nfs/dbraw/zinc/78/60/86/1022786086.db2.gz VJETUIFFJMHEAT-LJQANCHMSA-N 0 0 340.471 3.931 10 0 EHAERN CC1(C)C[C@@H](NC(=O)c2noc3c2CCCC3)c2ccccc2O1 ZINC000121807598 1022797089 /nfs/dbraw/zinc/79/70/89/1022797089.db2.gz WCQKUGORLYWDLG-CQSZACIVSA-N 0 0 326.396 3.586 10 0 EHAERN COc1cccc2sc(NC(=O)/C=C\c3ncccc3C)nc21 ZINC000588451670 1023008964 /nfs/dbraw/zinc/00/89/64/1023008964.db2.gz XBBSKJSJYQMBPE-HJWRWDBZSA-N 0 0 325.393 3.660 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000588455705 1023071197 /nfs/dbraw/zinc/07/11/97/1023071197.db2.gz PZWWOTLKNJASPO-HJWRWDBZSA-N 0 0 336.313 3.670 10 0 EHAERN CC(C)c1ccccc1S(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000190462300 1023287972 /nfs/dbraw/zinc/28/79/72/1023287972.db2.gz DEYTWOAJKKOIRP-INIZCTEOSA-N 0 0 331.437 3.612 10 0 EHAERN Cc1cc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)ccc1F ZINC000103025321 1024019808 /nfs/dbraw/zinc/01/98/08/1024019808.db2.gz VXIXEIFAKAOYOW-ZBEGNZNMSA-N 0 0 326.371 3.981 10 0 EHAERN O=C([O-])CCCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000181575565 1024033420 /nfs/dbraw/zinc/03/34/20/1024033420.db2.gz DDUUAPXGHOKYFW-HUUCEWRRSA-N 0 0 325.474 3.671 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3cncc(C)c3)CC2)n1 ZINC000151464334 1024111448 /nfs/dbraw/zinc/11/14/48/1024111448.db2.gz VIQZDDZLCRWGSC-ONEGZZNKSA-N 0 0 327.453 3.574 10 0 EHAERN C[C@@H]1CCCC[C@H]1c1noc([C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329742015 1024171740 /nfs/dbraw/zinc/17/17/40/1024171740.db2.gz WGICTOOXYPXUAH-BZUAXINKSA-N 0 0 346.475 3.759 10 0 EHAERN C[C@H](C(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1)c1cccnc1 ZINC000329896637 1024240228 /nfs/dbraw/zinc/24/02/28/1024240228.db2.gz KYVNLXBPBZVTBL-IFXJQAMLSA-N 0 0 349.434 3.809 10 0 EHAERN C[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)Sc1ccccc1 ZINC000247959166 1024242490 /nfs/dbraw/zinc/24/24/90/1024242490.db2.gz FZWNHUHZOMKIJT-JTDSTZFVSA-N 0 0 348.512 3.504 10 0 EHAERN O=C(c1ccnn1C1CCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000330107685 1024322192 /nfs/dbraw/zinc/32/21/92/1024322192.db2.gz MMJMKKMUYZOHJE-QGZVFWFLSA-N 0 0 349.438 3.852 10 0 EHAERN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000330204230 1024352559 /nfs/dbraw/zinc/35/25/59/1024352559.db2.gz BMCCWLZPZFGILO-COLVAYQJSA-N 0 0 333.819 3.608 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NCc3ccc(Cl)cc3)CCO2)o1 ZINC000165812421 1024476327 /nfs/dbraw/zinc/47/63/27/1024476327.db2.gz FEYWPCGGMOJCRK-INIZCTEOSA-N 0 0 334.803 3.525 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)CCc3cccc(F)c3)CCO2)o1 ZINC000151730653 1024509994 /nfs/dbraw/zinc/50/99/94/1024509994.db2.gz ILNFZXSFHMVRQL-LIRRHRJNSA-N 0 0 345.414 3.896 10 0 EHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000119613119 1025052072 /nfs/dbraw/zinc/05/20/72/1025052072.db2.gz HPQQLCSLKAJQAU-XVJNWHFHSA-N 0 0 343.858 3.568 10 0 EHAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000152120474 1025217440 /nfs/dbraw/zinc/21/74/40/1025217440.db2.gz WXNQIPBNOHOMIO-HNNXBMFYSA-N 0 0 337.467 3.531 10 0 EHAERN Cc1csc([C@@H]2CCCCN2C(=O)c2ccc3nccnc3c2)n1 ZINC000329079225 1025590951 /nfs/dbraw/zinc/59/09/51/1025590951.db2.gz BYENNTVCNFXGDL-INIZCTEOSA-N 0 0 338.436 3.762 10 0 EHAERN C[C@@H]1CCC[C@@H]1c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000329330181 1025757948 /nfs/dbraw/zinc/75/79/48/1025757948.db2.gz LNYKVDSTERLYFQ-HYVNUMGLSA-N 0 0 327.428 3.547 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCCC1(C)C ZINC000153694584 1025836413 /nfs/dbraw/zinc/83/64/13/1025836413.db2.gz MUARPLQJQDIMES-ZIAGYGMSSA-N 0 0 333.480 3.504 10 0 EHAERN COCCC1(CNC(=O)/C=C\c2ccnc(Cl)c2)CCCCC1 ZINC000588513785 1025909179 /nfs/dbraw/zinc/90/91/79/1025909179.db2.gz LSCMGNFQBUAHTD-WAYWQWQTSA-N 0 0 336.863 3.851 10 0 EHAERN CCCCCC[C@@H](C)NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000152453874 1026145669 /nfs/dbraw/zinc/14/56/69/1026145669.db2.gz YLVWWBZKBKZDOJ-CABCVRRESA-N 0 0 335.496 3.895 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccccc3OC)C2)cc1 ZINC000122378194 1026424906 /nfs/dbraw/zinc/42/49/06/1026424906.db2.gz IRTQMJSTRWSVFL-GOEBONIOSA-N 0 0 325.408 3.722 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000588525986 1026453856 /nfs/dbraw/zinc/45/38/56/1026453856.db2.gz WEPVFDQKDAZTLV-KYFVDPIZSA-N 0 0 327.399 3.643 10 0 EHAERN OCc1cc2ccccc2nc1NCc1nnc(-c2ccccc2)s1 ZINC000301644260 1026886991 /nfs/dbraw/zinc/88/69/91/1026886991.db2.gz NFLKHZJISVGIFK-UHFFFAOYSA-N 0 0 348.431 3.858 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc43)CCO2)o1 ZINC000127262506 1027291128 /nfs/dbraw/zinc/29/11/28/1027291128.db2.gz AWLOSGRGYIRZNI-LJQANCHMSA-N 0 0 338.407 3.520 10 0 EHAERN CCCC[C@H](CCC)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128834203 1027489114 /nfs/dbraw/zinc/48/91/14/1027489114.db2.gz VIGCMTSRSQTRGW-KRWDZBQOSA-N 0 0 334.508 3.743 10 0 EHAERN CC[C@@H](SC)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131097263 1027734848 /nfs/dbraw/zinc/73/48/48/1027734848.db2.gz RSHKVTBARVSUHJ-NVXWUHKLSA-N 0 0 343.496 3.924 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c(Cl)cccc1Cl ZINC000246117333 1027762428 /nfs/dbraw/zinc/76/24/28/1027762428.db2.gz NZAGOMYFYKHDDV-OWYVNGRQSA-N 0 0 326.223 3.681 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000246684656 1027816363 /nfs/dbraw/zinc/81/63/63/1027816363.db2.gz DKYLEYDHEQNBRA-QBPKDAKJSA-N 0 0 332.492 3.617 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000132415095 1027925100 /nfs/dbraw/zinc/92/51/00/1027925100.db2.gz QVCKMAVZILCYPU-TZMCWYRMSA-N 0 0 333.823 3.545 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000105136375 1027943418 /nfs/dbraw/zinc/94/34/18/1027943418.db2.gz PBJILKVPIAGVMG-HKUYNNGSSA-N 0 0 347.503 3.641 10 0 EHAERN O=C(N[C@@H]1CCCc2occc21)N1CCC[C@H](c2nccs2)C1 ZINC000114823368 1027977679 /nfs/dbraw/zinc/97/76/79/1027977679.db2.gz AROPCESHIBVLKC-GXTWGEPZSA-N 0 0 331.441 3.703 10 0 EHAERN C[C@@H]1CN(c2ccc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)CCO1 ZINC000246206550 1027979074 /nfs/dbraw/zinc/97/90/74/1027979074.db2.gz WGMODGXVPVSQRJ-XLNTUCKNSA-N 0 0 342.483 3.671 10 0 EHAERN CCCCCC[C@@H](C)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246232059 1028041969 /nfs/dbraw/zinc/04/19/69/1028041969.db2.gz UFPBWYQWWQMINL-MSOLQXFVSA-N 0 0 338.536 3.695 10 0 EHAERN COc1ccc([C@@H](C)CC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000133824173 1028071346 /nfs/dbraw/zinc/07/13/46/1028071346.db2.gz MZAYGIRVVVNNNI-LIRRHRJNSA-N 0 0 343.423 3.690 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)nc21 ZINC000246254865 1028091383 /nfs/dbraw/zinc/09/13/83/1028091383.db2.gz IPBYACGVSBESAH-CBGDNZLLSA-N 0 0 345.446 3.506 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(F)c(F)cc3Cl)CCO2)o1 ZINC000134128433 1028096562 /nfs/dbraw/zinc/09/65/62/1028096562.db2.gz RTUCYAGEVIRGRI-HNNXBMFYSA-N 0 0 341.741 3.733 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134384724 1028117023 /nfs/dbraw/zinc/11/70/23/1028117023.db2.gz KJTUWYGJEROAKF-SCTDSRPQSA-N 0 0 349.519 3.689 10 0 EHAERN COCCOc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000052980655 1028143480 /nfs/dbraw/zinc/14/34/80/1028143480.db2.gz YEUJUNOFXRNZFB-UHFFFAOYSA-N 0 0 337.419 3.641 10 0 EHAERN CS[C@H]1CCCCN(C(=O)c2nn(CC(C)C)cc2C(F)F)C1 ZINC000135572905 1028202938 /nfs/dbraw/zinc/20/29/38/1028202938.db2.gz NKHKISQZCIEHPY-LBPRGKRZSA-N 0 0 345.459 3.834 10 0 EHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000248427212 1028352929 /nfs/dbraw/zinc/35/29/29/1028352929.db2.gz ORPGHUUPIQUSAF-LSOMNZGLSA-N 0 0 343.471 3.926 10 0 EHAERN O=C(c1csc(-c2ccoc2)n1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047665 1028353264 /nfs/dbraw/zinc/35/32/64/1028353264.db2.gz KVGILNYMLGOQMW-LLVKDONJSA-N 0 0 345.449 3.879 10 0 EHAERN CC(C)Oc1ccccc1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048034 1028354684 /nfs/dbraw/zinc/35/46/84/1028354684.db2.gz IAYODJDIKQTGGG-MRXNPFEDSA-N 0 0 344.480 3.879 10 0 EHAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048484 1028354801 /nfs/dbraw/zinc/35/48/01/1028354801.db2.gz LBTHRFQIXLEAIM-SECBINFHSA-N 0 0 344.267 3.808 10 0 EHAERN Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048541 1028355147 /nfs/dbraw/zinc/35/51/47/1028355147.db2.gz JUHUCXRIHNNBEE-ZDUSSCGKSA-N 0 0 325.437 3.953 10 0 EHAERN CC[C@H](NC(=O)NCc1ccccc1-n1cccn1)c1cccs1 ZINC000067569255 1028369860 /nfs/dbraw/zinc/36/98/60/1028369860.db2.gz HOTYKQCPSXGOJB-HNNXBMFYSA-N 0 0 340.452 3.884 10 0 EHAERN Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCCc4cccnc43)ccc12 ZINC000193824783 1028471131 /nfs/dbraw/zinc/47/11/31/1028471131.db2.gz SGYSZPMUTSCBHO-INIZCTEOSA-N 0 0 334.375 3.555 10 0 EHAERN CC(=O)SCCCCCCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000193860676 1028473038 /nfs/dbraw/zinc/47/30/38/1028473038.db2.gz PTTVMHSNAGPMIQ-SUMWQHHRSA-N 0 0 335.469 3.507 10 0 EHAERN Cc1nnc([C@H](NCCSCc2ccccc2)c2ccccc2)[nH]1 ZINC000193906151 1028476361 /nfs/dbraw/zinc/47/63/61/1028476361.db2.gz IEFBTCGVZGTDPB-GOSISDBHSA-N 0 0 338.480 3.726 10 0 EHAERN O=C(c1nc2cccnc2s1)N1CC=C(c2cccs2)CC1 ZINC000193951306 1028480620 /nfs/dbraw/zinc/48/06/20/1028480620.db2.gz SCNUZMJGBZHZQH-UHFFFAOYSA-N 0 0 327.434 3.682 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000194621455 1028526971 /nfs/dbraw/zinc/52/69/71/1028526971.db2.gz JFEGPMOTDZLGDE-KGLIPLIRSA-N 0 0 333.823 3.545 10 0 EHAERN NC(=O)c1ccc(NCc2ncc(-c3ccccc3Cl)o2)cc1F ZINC000072912172 1028526920 /nfs/dbraw/zinc/52/69/20/1028526920.db2.gz JKYQFKFNFJWHQM-UHFFFAOYSA-N 0 0 345.761 3.845 10 0 EHAERN C[C@H](OC(=O)[C@H]1CCCc2cccnc21)c1nc2ccccc2n1C ZINC000194532483 1028541817 /nfs/dbraw/zinc/54/18/17/1028541817.db2.gz RJDZLDCELCATLW-ZFWWWQNUSA-N 0 0 335.407 3.693 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccn1 ZINC000073486498 1028558932 /nfs/dbraw/zinc/55/89/32/1028558932.db2.gz VYKOSELVYRLDAJ-CQSZACIVSA-N 0 0 342.418 3.568 10 0 EHAERN CCc1cc(=O)[nH]c(SCc2ncc(-c3ccccc3Cl)o2)n1 ZINC000195065188 1028572065 /nfs/dbraw/zinc/57/20/65/1028572065.db2.gz ZGIWMANSWJMZAR-UHFFFAOYSA-N 0 0 347.827 3.933 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccncc1 ZINC000246517614 1028653555 /nfs/dbraw/zinc/65/35/55/1028653555.db2.gz OHADTUILZSOQBN-CWRNSKLLSA-N 0 0 345.468 3.502 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H]2OCCC[C@H]2C1)c1ccc(F)c(Cl)c1 ZINC000246675472 1028675006 /nfs/dbraw/zinc/67/50/06/1028675006.db2.gz MHHQCXKYAPEEKF-DETPVDSQSA-N 0 0 340.826 3.751 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N(Cc1cccs1)C1CC1 ZINC000246716951 1028681080 /nfs/dbraw/zinc/68/10/80/1028681080.db2.gz NNLQHCFVSFDBFO-GVDBMIGSSA-N 0 0 346.496 3.770 10 0 EHAERN CCN(Cc1cccs1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246731023 1028684460 /nfs/dbraw/zinc/68/44/60/1028684460.db2.gz NYDUCPDRCLAACU-BZUAXINKSA-N 0 0 334.485 3.627 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(C)cc1C ZINC000105162415 1028693057 /nfs/dbraw/zinc/69/30/57/1028693057.db2.gz ZFTAJPLERIHEBR-UHFFFAOYSA-N 0 0 325.456 3.863 10 0 EHAERN C[C@@H]1CCN(Cc2noc(C3CCOCC3)n2)[C@H]1c1cccc(F)c1 ZINC000245408510 1028704240 /nfs/dbraw/zinc/70/42/40/1028704240.db2.gz HQHCNBABMLTTQN-FZKQIMNGSA-N 0 0 345.418 3.686 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2cccc(SC(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000246874725 1028706970 /nfs/dbraw/zinc/70/69/70/1028706970.db2.gz LDONJGFUWUCHNP-YNEHKIRRSA-N 0 0 342.411 3.936 10 0 EHAERN CC(C)n1ncc2ccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cc21 ZINC000247632114 1028807203 /nfs/dbraw/zinc/80/72/03/1028807203.db2.gz UWRGDSJJXSVNKF-JZXOWHBKSA-N 0 0 342.443 3.696 10 0 EHAERN CC1(C)[C@H](Nc2cccc(C(=O)N3CCCCC3)c2)[C@H]2CCCO[C@H]21 ZINC000245607699 1028917057 /nfs/dbraw/zinc/91/70/57/1028917057.db2.gz SSFAHWINAPJKFX-GUDVDZBRSA-N 0 0 342.483 3.928 10 0 EHAERN C[C@@H]1CN(C(=O)NCC[C@H]2c3ccccc3NC2=O)[C@@H]1c1ccccc1 ZINC000245680565 1029001518 /nfs/dbraw/zinc/00/15/18/1029001518.db2.gz GKRLJLILOOOVBY-LJHODMEESA-N 0 0 349.434 3.515 10 0 EHAERN O=C(N[C@H]1CC[C@H](CO)CC1)c1cc(-c2ccccn2)ccc1Cl ZINC000245689273 1029009601 /nfs/dbraw/zinc/00/96/01/1029009601.db2.gz UFGLRGGFUYMYLZ-CTYIDZIISA-N 0 0 344.842 3.683 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccccn2)cc1 ZINC000077211458 1029091037 /nfs/dbraw/zinc/09/10/37/1029091037.db2.gz DGJBHNITFUGOIC-INIZCTEOSA-N 0 0 328.437 3.546 10 0 EHAERN COCCOc1ccccc1CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000245708826 1029091328 /nfs/dbraw/zinc/09/13/28/1029091328.db2.gz FQPOZBLQFNZELY-BEFAXECRSA-N 0 0 347.480 3.735 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]2CCCC[C@H]21 ZINC000248446700 1029154034 /nfs/dbraw/zinc/15/40/34/1029154034.db2.gz WTYHRUVHXMEVGS-JEBQAFNWSA-N 0 0 341.455 3.621 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@H]1c1cccs1 ZINC000077854461 1029163548 /nfs/dbraw/zinc/16/35/48/1029163548.db2.gz XTEMXOBJVDSLOJ-IRXDYDNUSA-N 0 0 344.480 3.761 10 0 EHAERN C[C@@H]1CCN(C(=O)[C@H]2CSCCS2)[C@H]1c1cccc(F)c1 ZINC000252652214 1029215430 /nfs/dbraw/zinc/21/54/30/1029215430.db2.gz IVMGKWWNQLHOTA-KCPJHIHWSA-N 0 0 325.474 3.584 10 0 EHAERN CCOc1ncccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078188410 1029239694 /nfs/dbraw/zinc/23/96/94/1029239694.db2.gz LBOYIJCYLNCBEP-GOEBONIOSA-N 0 0 340.423 3.507 10 0 EHAERN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC000078669860 1029406567 /nfs/dbraw/zinc/40/65/67/1029406567.db2.gz ATGCKNLVBGDOHY-LBPRGKRZSA-N 0 0 335.860 3.647 10 0 EHAERN CCc1ccccc1CNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000155765290 1029654455 /nfs/dbraw/zinc/65/44/55/1029654455.db2.gz PYRDIBKKLFYPHI-MRXNPFEDSA-N 0 0 329.469 3.795 10 0 EHAERN C[C@H](c1ccco1)N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155848741 1029682228 /nfs/dbraw/zinc/68/22/28/1029682228.db2.gz KPUJWCHZTWZBBG-CYBMUJFWSA-N 0 0 333.457 3.713 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3ccc(C)c(O)c3)C2)cc1 ZINC000089452909 1029915299 /nfs/dbraw/zinc/91/52/99/1029915299.db2.gz KRBCXOVANJPTHM-QAPCUYQASA-N 0 0 339.435 3.656 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000332947194 1029938393 /nfs/dbraw/zinc/93/83/93/1029938393.db2.gz YRNJPKIXMUOHAY-SIZVQLJJSA-N 0 0 328.456 3.634 10 0 EHAERN O=C(c1ccnc(Cl)c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089625205 1029956779 /nfs/dbraw/zinc/95/67/79/1029956779.db2.gz VTILBNHMPOXQKY-AWEZNQCLSA-N 0 0 337.206 3.682 10 0 EHAERN CCc1nn(C)c(Cl)c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000156803261 1030048827 /nfs/dbraw/zinc/04/88/27/1030048827.db2.gz PRRRVHDYNRXLJT-UHFFFAOYSA-N 0 0 329.831 3.565 10 0 EHAERN Fc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c(F)c1 ZINC000090202422 1030089243 /nfs/dbraw/zinc/08/92/43/1030089243.db2.gz MANHSAGAHKZEEB-OAHLLOKOSA-N 0 0 335.741 3.880 10 0 EHAERN C[S@](=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000245470872 1030091988 /nfs/dbraw/zinc/09/19/88/1030091988.db2.gz NKCGUADYEKDSQV-HIBRMCEJSA-N 0 0 348.390 3.667 10 0 EHAERN C[C@@]1(CNC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCCS1 ZINC000120939309 1030133472 /nfs/dbraw/zinc/13/34/72/1030133472.db2.gz YHOWZGSCSYTQFJ-KDOFPFPSSA-N 0 0 334.485 3.874 10 0 EHAERN CN(C(=O)[C@@]1(C)CCCc2ccccc21)[C@H]1CCCc2c1cnn2C ZINC000157056971 1030224185 /nfs/dbraw/zinc/22/41/85/1030224185.db2.gz VJZMRSTUJFPHMV-RXVVDRJESA-N 0 0 337.467 3.550 10 0 EHAERN CC(C)(CNC(=O)N1CC=C(c2cccs2)CC1)c1ccncc1 ZINC000092363479 1030436825 /nfs/dbraw/zinc/43/68/25/1030436825.db2.gz UGSBPJIIFSDHDG-UHFFFAOYSA-N 0 0 341.480 3.920 10 0 EHAERN FC(F)(F)c1ccc(Cl)c(CN2CCC(n3cncn3)CC2)c1 ZINC000092647721 1030494389 /nfs/dbraw/zinc/49/43/89/1030494389.db2.gz JJRBIRVSJKNAQB-UHFFFAOYSA-N 0 0 344.768 3.787 10 0 EHAERN O=C(CCSc1ccccc1F)Nc1cccc(-c2ncon2)c1 ZINC000170632571 1030693212 /nfs/dbraw/zinc/69/32/12/1030693212.db2.gz REFSEXQRNKXLHR-UHFFFAOYSA-N 0 0 343.383 3.997 10 0 EHAERN O=C(c1ccc2ncsc2c1)N1CCC(Cc2ccccn2)CC1 ZINC000171615689 1030766191 /nfs/dbraw/zinc/76/61/91/1030766191.db2.gz XYNGUKQVRSTXOA-UHFFFAOYSA-N 0 0 337.448 3.786 10 0 EHAERN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccs2)C1 ZINC000171646261 1030771090 /nfs/dbraw/zinc/77/10/90/1030771090.db2.gz NEYKFPPVRPAYQH-OAHLLOKOSA-N 0 0 339.464 3.963 10 0 EHAERN O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@@H](c2nccs2)C1 ZINC000171721422 1030811231 /nfs/dbraw/zinc/81/12/31/1030811231.db2.gz OUDNOQUXSRKKJO-MRVPVSSYSA-N 0 0 344.333 3.719 10 0 EHAERN Cc1cc(N2CCC(Cc3ccccn3)CC2)nc(-c2ccncc2)n1 ZINC000171832261 1030820245 /nfs/dbraw/zinc/82/02/45/1030820245.db2.gz YAKGISLXTXSQIE-UHFFFAOYSA-N 0 0 345.450 3.701 10 0 EHAERN O=C(Nc1nc2c(s1)CCCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000172193867 1030846615 /nfs/dbraw/zinc/84/66/15/1030846615.db2.gz LEYHYHKMQPTMLP-LLVKDONJSA-N 0 0 348.497 3.890 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000172052401 1030867540 /nfs/dbraw/zinc/86/75/40/1030867540.db2.gz ZGFLZWGMKIQEAF-KUHUBIRLSA-N 0 0 334.375 3.773 10 0 EHAERN Cc1ncccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172051528 1030868790 /nfs/dbraw/zinc/86/87/90/1030868790.db2.gz NMFOERYFMJZNTD-KRWDZBQOSA-N 0 0 346.434 3.800 10 0 EHAERN Cc1csc(C2CCN(Cc3noc(-c4ccccc4)n3)CC2)n1 ZINC000157819805 1030882819 /nfs/dbraw/zinc/88/28/19/1030882819.db2.gz MFIBMMFFQGPNFX-UHFFFAOYSA-N 0 0 340.452 3.881 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C[C@H](C)c3ccccc3)CC2)nc1 ZINC000157871754 1030925135 /nfs/dbraw/zinc/92/51/35/1030925135.db2.gz HUESVSLJFWWJLD-KRWDZBQOSA-N 0 0 337.467 3.669 10 0 EHAERN CC(C)[C@@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000172734349 1030987500 /nfs/dbraw/zinc/98/75/00/1030987500.db2.gz ZKOUNOBAUQEPPI-HNSVSWJLSA-N 0 0 338.492 3.715 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(F)cc2)cc1 ZINC000172846152 1031011200 /nfs/dbraw/zinc/01/12/00/1031011200.db2.gz JZYZRHPHPPOIOG-SFHVURJKSA-N 0 0 328.387 3.610 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C3CCCCCCC3)CC2)nc1 ZINC000172872971 1031014185 /nfs/dbraw/zinc/01/41/85/1031014185.db2.gz GYEBTHGSMRMSAF-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN Cc1nnc([C@H](NC(=O)C2CCCCCCC2)c2ccccc2)[nH]1 ZINC000172896259 1031027362 /nfs/dbraw/zinc/02/73/62/1031027362.db2.gz SWIJAYPAHPYHQD-QGZVFWFLSA-N 0 0 326.444 3.679 10 0 EHAERN CC(C)CC1(c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)CCCC1 ZINC000329547133 1031086290 /nfs/dbraw/zinc/08/62/90/1031086290.db2.gz AZEGIASSFYZOFS-HOTGVXAUSA-N 0 0 333.476 3.853 10 0 EHAERN Cc1cccc(C)c1NCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173493365 1031095620 /nfs/dbraw/zinc/09/56/20/1031095620.db2.gz VQUGDUDULFKXLX-OAHLLOKOSA-N 0 0 329.469 3.578 10 0 EHAERN O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@H]1CCCn2ccnc21 ZINC000175093427 1031272993 /nfs/dbraw/zinc/27/29/93/1031272993.db2.gz YLDSATHSQFRCPZ-SFHVURJKSA-N 0 0 345.402 3.630 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H](CC)C2)C1 ZINC000155965973 1031285679 /nfs/dbraw/zinc/28/56/79/1031285679.db2.gz XWHNJRQSPXASOX-YESZJQIVSA-N 0 0 332.492 3.761 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)o1 ZINC000249260686 1031336499 /nfs/dbraw/zinc/33/64/99/1031336499.db2.gz YYAKFYYBVHBXPY-CBZIJGRNSA-N 0 0 332.444 3.782 10 0 EHAERN CCc1ccc(CNC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000177463705 1031543155 /nfs/dbraw/zinc/54/31/55/1031543155.db2.gz RLTOSVZQQOJCRK-INIZCTEOSA-N 0 0 342.443 3.802 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3coc(-c4cccc(F)c4)n3)CCO2)o1 ZINC000158692688 1031543469 /nfs/dbraw/zinc/54/34/69/1031543469.db2.gz XXQNJOFYIFKFEA-GOSISDBHSA-N 0 0 342.370 3.956 10 0 EHAERN O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1Cn1ccnc1 ZINC000177798389 1031570745 /nfs/dbraw/zinc/57/07/45/1031570745.db2.gz ATKRHZNEDVMLPQ-SFHVURJKSA-N 0 0 347.418 3.980 10 0 EHAERN Cc1ccc([C@H]2CN(CC(=O)Nc3c(C)cc(C)cc3C)CCO2)o1 ZINC000158739751 1031598503 /nfs/dbraw/zinc/59/85/03/1031598503.db2.gz LGRZACZIASUYPY-GOSISDBHSA-N 0 0 342.439 3.525 10 0 EHAERN Cc1nnc([C@H](NC(=O)CC[C@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000158838248 1031673786 /nfs/dbraw/zinc/67/37/86/1031673786.db2.gz XKTMRSGJSPDZMT-MGPUTAFESA-N 0 0 348.450 3.903 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2sc(C)nc2C)c2ccccc2)[nH]1 ZINC000178546706 1031679066 /nfs/dbraw/zinc/67/90/66/1031679066.db2.gz TVINHKVJMDKCHM-IAQYHMDHSA-N 0 0 327.457 3.627 10 0 EHAERN O=c1cc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc2ccccn12 ZINC000178322604 1031681520 /nfs/dbraw/zinc/68/15/20/1031681520.db2.gz XOMUBIKGGIWJPB-OAHLLOKOSA-N 0 0 325.799 3.689 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC000178621898 1031710478 /nfs/dbraw/zinc/71/04/78/1031710478.db2.gz SQXCAOMZCSALDZ-UHFFFAOYSA-N 0 0 348.450 3.510 10 0 EHAERN CCSc1ccc(Cl)cc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178660814 1031712649 /nfs/dbraw/zinc/71/26/49/1031712649.db2.gz OZNQTUGATBVPQJ-WBVHZDCISA-N 0 0 347.867 3.840 10 0 EHAERN O=C(Cc1ccc(F)cc1Cl)Nc1cccc(-c2ncon2)c1 ZINC000178670664 1031714025 /nfs/dbraw/zinc/71/40/25/1031714025.db2.gz AAIVWMGTDQMVPS-UHFFFAOYSA-N 0 0 331.734 3.710 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cnc(-c4ccco4)s3)CCO2)o1 ZINC000178896091 1031738196 /nfs/dbraw/zinc/73/81/96/1031738196.db2.gz VHVNOYIITIGVNR-CQSZACIVSA-N 0 0 344.392 3.518 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N(Cc1ccccn1)C1CC1 ZINC000179497779 1031778571 /nfs/dbraw/zinc/77/85/71/1031778571.db2.gz GVZSKONJDIWCOU-UHFFFAOYSA-N 0 0 333.395 3.668 10 0 EHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117623807 1031783796 /nfs/dbraw/zinc/78/37/96/1031783796.db2.gz BBQYRNVVXGJZTE-DYZYQPBXSA-N 0 0 344.798 3.802 10 0 EHAERN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117635208 1031785671 /nfs/dbraw/zinc/78/56/71/1031785671.db2.gz VIWNVZCORVANQZ-QGHHPUGFSA-N 0 0 344.798 3.802 10 0 EHAERN COC(=O)Nc1cc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)ccc1F ZINC000117647456 1031787633 /nfs/dbraw/zinc/78/76/33/1031787633.db2.gz DCQZYFDMOHWNTC-QFYYESIMSA-N 0 0 344.342 3.507 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@@H]1Cn1ccnc1 ZINC000180372303 1031846501 /nfs/dbraw/zinc/84/65/01/1031846501.db2.gz GUAQOXYHEAIQNB-LLVKDONJSA-N 0 0 339.226 3.886 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3csc(-c4ccoc4)n3)CCO2)o1 ZINC000159116555 1031877122 /nfs/dbraw/zinc/87/71/22/1031877122.db2.gz JNDHASMJMFSYJC-MRXNPFEDSA-N 0 0 330.409 3.878 10 0 EHAERN CCc1ccc(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)cc1F ZINC000159120157 1031879413 /nfs/dbraw/zinc/87/94/13/1031879413.db2.gz POWIBKHNSGZXSH-CQSZACIVSA-N 0 0 344.434 3.608 10 0 EHAERN Cc1ccc2c(n1)OCCN2C(=O)c1csc(-c2ccsc2)n1 ZINC000180482762 1031880923 /nfs/dbraw/zinc/88/09/23/1031880923.db2.gz WVSVYZXVDZIFHA-UHFFFAOYSA-N 0 0 343.433 3.614 10 0 EHAERN CCCc1csc(NC(=O)N2CCC[C@@H](c3nccs3)C2)n1 ZINC000180663942 1031894309 /nfs/dbraw/zinc/89/43/09/1031894309.db2.gz VKUACETWYWUDNQ-LLVKDONJSA-N 0 0 336.486 3.964 10 0 EHAERN CCCc1cnc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)s1 ZINC000180837867 1031913354 /nfs/dbraw/zinc/91/33/54/1031913354.db2.gz YMYLGXIOEJNPOR-CQSZACIVSA-N 0 0 335.429 3.602 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1 ZINC000180862521 1031916268 /nfs/dbraw/zinc/91/62/68/1031916268.db2.gz QATIDTCKHCWOMD-UHFFFAOYSA-N 0 0 330.815 3.727 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)nc1 ZINC000180866023 1031917317 /nfs/dbraw/zinc/91/73/17/1031917317.db2.gz DYEDOVYONAYKIK-QGZVFWFLSA-N 0 0 338.451 3.954 10 0 EHAERN Cc1ccnc2c1NC(=O)CN2C(=O)CCCCCc1cccs1 ZINC000180869898 1031919316 /nfs/dbraw/zinc/91/93/16/1031919316.db2.gz FXCSJXPFHYRDDK-UHFFFAOYSA-N 0 0 343.452 3.540 10 0 EHAERN C[C@@]1(C(=O)N[C@@H]2CCCOc3c(F)cccc32)CC1(Cl)Cl ZINC000181050660 1031941486 /nfs/dbraw/zinc/94/14/86/1031941486.db2.gz NJHHBQSLNWUKMV-RISCZKNCSA-N 0 0 332.202 3.740 10 0 EHAERN Cc1cc(Cl)c(C(=O)N2CCC(Cc3nccn3C)CC2)cc1C ZINC000181049682 1031941763 /nfs/dbraw/zinc/94/17/63/1031941763.db2.gz FVHUCLPXVTVWER-UHFFFAOYSA-N 0 0 345.874 3.785 10 0 EHAERN Cc1csc(C2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)n1 ZINC000181203495 1031955172 /nfs/dbraw/zinc/95/51/72/1031955172.db2.gz IEIXJESKPOVZQK-UHFFFAOYSA-N 0 0 343.500 3.635 10 0 EHAERN Cc1cc(C)c(C(=O)NC[C@H]2CCN(C)c3ccccc32)c(Cl)n1 ZINC000181828515 1032037150 /nfs/dbraw/zinc/03/71/50/1032037150.db2.gz UXFHYRYGXUWHSW-CQSZACIVSA-N 0 0 343.858 3.705 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120141103 1033391541 /nfs/dbraw/zinc/39/15/41/1033391541.db2.gz FKKGNZCSFLOLNG-OAGJVSPASA-N 0 0 332.407 3.725 10 0 EHAERN CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(c3cnn(C)c3)CC2)C1 ZINC000159045970 1034133168 /nfs/dbraw/zinc/13/31/68/1034133168.db2.gz ZEMIMYMSVRTRBM-WMZOPIPTSA-N 0 0 332.492 3.524 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CCOC3(CCCC3)C2)c2ccccc2O1 ZINC000152724326 1034339586 /nfs/dbraw/zinc/33/95/86/1034339586.db2.gz WEKHRYHTZNTJLK-INIZCTEOSA-N 0 0 344.455 3.643 10 0 EHAERN Cc1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c(C)n1C1CC1 ZINC000121083083 1034374171 /nfs/dbraw/zinc/37/41/71/1034374171.db2.gz AZUNJPDKXBAWFH-QGZVFWFLSA-N 0 0 330.453 3.715 10 0 EHAERN COc1ccc(F)cc1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000185947899 1035546711 /nfs/dbraw/zinc/54/67/11/1035546711.db2.gz DPTWDROWDQEVJH-UHFFFAOYSA-N 0 0 331.412 3.754 10 0 EHAERN O=C(c1cnc2ccccc2n1)N1CC=C(c2ccccc2F)CC1 ZINC000186144648 1035590997 /nfs/dbraw/zinc/59/09/97/1035590997.db2.gz HRINPKFXYDOWHK-UHFFFAOYSA-N 0 0 333.366 3.698 10 0 EHAERN O=C(N1CCCN(c2ccccn2)CC1)C1(Cc2ccccc2)CCC1 ZINC000186428963 1035632629 /nfs/dbraw/zinc/63/26/29/1035632629.db2.gz HEKUJMBZECPHOP-UHFFFAOYSA-N 0 0 349.478 3.533 10 0 EHAERN CC(=O)Nc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186552610 1035657743 /nfs/dbraw/zinc/65/77/43/1035657743.db2.gz PSYYYPFETCNILN-LBPRGKRZSA-N 0 0 338.411 3.795 10 0 EHAERN CCO[C@@H]1C[C@@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186550804 1035657911 /nfs/dbraw/zinc/65/79/11/1035657911.db2.gz GXPZTLWFQZGKGD-IAGOWNOFSA-N 0 0 329.444 3.814 10 0 EHAERN CN1Cc2cc(NC(=O)N3CCC[C@@H]3c3ccco3)ccc2NC1=O ZINC000186646407 1035679814 /nfs/dbraw/zinc/67/98/14/1035679814.db2.gz OFQMYWSRAOYYLM-OAHLLOKOSA-N 0 0 340.383 3.626 10 0 EHAERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000157503925 1035760337 /nfs/dbraw/zinc/76/03/37/1035760337.db2.gz QIQRSOVNEJXASW-OQIJWPOYSA-N 0 0 340.467 3.506 10 0 EHAERN Cc1ccc([C@H]2CN(CCC(=O)c3ccc(F)cc3F)CCO2)o1 ZINC000187330783 1035791502 /nfs/dbraw/zinc/79/15/02/1035791502.db2.gz ZAGJAJMYOMHCCA-GOSISDBHSA-N 0 0 335.350 3.513 10 0 EHAERN COCc1ccccc1NC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188614383 1035963007 /nfs/dbraw/zinc/96/30/07/1035963007.db2.gz KJTAYKLHXRJMIP-KRWDZBQOSA-N 0 0 326.396 3.787 10 0 EHAERN COc1ccc(NC(=O)N[C@H]2CCOc3c(C)cccc32)c(OC)c1 ZINC000188630415 1035967137 /nfs/dbraw/zinc/96/71/37/1035967137.db2.gz FUXGUGAYNLFUHT-HNNXBMFYSA-N 0 0 342.395 3.658 10 0 EHAERN O=C(Nc1ccc(F)nc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189774170 1036124901 /nfs/dbraw/zinc/12/49/01/1036124901.db2.gz PTIPLNCMIVSSKK-NSHDSACASA-N 0 0 335.329 3.910 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)N(C2CC2)C2CCCC2)cs1 ZINC000189764985 1036137866 /nfs/dbraw/zinc/13/78/66/1036137866.db2.gz GDTOMJZSDZSNEL-KRWDZBQOSA-N 0 0 333.501 3.522 10 0 EHAERN Cc1ccccc1[C@@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189893889 1036141614 /nfs/dbraw/zinc/14/16/14/1036141614.db2.gz VIAMYKOXIFASSU-CQSZACIVSA-N 0 0 344.484 3.799 10 0 EHAERN O=C(Nc1ccncc1F)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189827721 1036152651 /nfs/dbraw/zinc/15/26/51/1036152651.db2.gz ATFGPHDPWTWGOD-NSHDSACASA-N 0 0 335.329 3.910 10 0 EHAERN O=C(/C=C/c1ccc(O)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189851776 1036156648 /nfs/dbraw/zinc/15/66/48/1036156648.db2.gz BLMJSNWADWLAOD-JXMROGBWSA-N 0 0 335.403 3.500 10 0 EHAERN COCCOc1cccc(CN2CCC[C@H]2c2csc(C)n2)c1 ZINC000189939824 1036164693 /nfs/dbraw/zinc/16/46/93/1036164693.db2.gz ORMVYYDZYNIYLQ-SFHVURJKSA-N 0 0 332.469 3.814 10 0 EHAERN CCCCOc1ccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c(O)c1 ZINC000190237152 1036210703 /nfs/dbraw/zinc/21/07/03/1036210703.db2.gz CLUUMDMTZHPASO-INIZCTEOSA-N 0 0 343.427 3.662 10 0 EHAERN O=C(NCc1ccc(F)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000190337549 1036226607 /nfs/dbraw/zinc/22/66/07/1036226607.db2.gz IGVHZIBJCIOQPJ-UHFFFAOYSA-N 0 0 340.398 3.604 10 0 EHAERN Cc1cccc(/C=C/C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190376201 1036231777 /nfs/dbraw/zinc/23/17/77/1036231777.db2.gz BYZCDEKINWTJQU-AATRIKPKSA-N 0 0 327.453 3.568 10 0 EHAERN COCCOc1ccc(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cc1 ZINC000190393646 1036235662 /nfs/dbraw/zinc/23/56/62/1036235662.db2.gz ZMEJCYCASDOYDB-HOTGVXAUSA-N 0 0 346.427 3.680 10 0 EHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)c(C)n1C(C)C ZINC000190429025 1036238808 /nfs/dbraw/zinc/23/88/08/1036238808.db2.gz VSWMQAXNIUFHRA-UHFFFAOYSA-N 0 0 346.500 3.859 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccccc1OC(F)F ZINC000190621297 1036268018 /nfs/dbraw/zinc/26/80/18/1036268018.db2.gz NOSPRVXVJKRHNB-HNNXBMFYSA-N 0 0 347.361 3.779 10 0 EHAERN O=C(NCc1ccsc1)N1CC2(CCOCC2)c2ccccc21 ZINC000190943231 1036307004 /nfs/dbraw/zinc/30/70/04/1036307004.db2.gz HKXNEWUMTSYFKE-UHFFFAOYSA-N 0 0 328.437 3.526 10 0 EHAERN CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cn1 ZINC000191300515 1036360426 /nfs/dbraw/zinc/36/04/26/1036360426.db2.gz BIKLKCHXWVCTTK-INIZCTEOSA-N 0 0 330.501 3.762 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191798608 1036431137 /nfs/dbraw/zinc/43/11/37/1036431137.db2.gz RQDPGDAUZFZEOI-MGNBDDOMSA-N 0 0 341.794 3.972 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCC(c2ccncc2)CC1 ZINC000191926764 1036445295 /nfs/dbraw/zinc/44/52/95/1036445295.db2.gz XQBQXNSJKUKVBW-UHFFFAOYSA-N 0 0 347.422 3.883 10 0 EHAERN Cc1csc2c1ncnc2N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000192561358 1036529463 /nfs/dbraw/zinc/52/94/63/1036529463.db2.gz JDPJBPAWDPCXCD-AWEZNQCLSA-N 0 0 336.424 3.628 10 0 EHAERN CC(=O)c1ccc(OCCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000192866760 1036559988 /nfs/dbraw/zinc/55/99/88/1036559988.db2.gz KFDOMXLPAQSGDF-UHFFFAOYSA-N 0 0 349.390 3.687 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2cc(N3CCCC3)ccn2)n1 ZINC000193224502 1036584500 /nfs/dbraw/zinc/58/45/00/1036584500.db2.gz GNIHCWWGXPVHCP-HOCLYGCPSA-N 0 0 342.443 3.650 10 0 EHAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CCC2(CCCCC2)CC1 ZINC000102532130 1036657272 /nfs/dbraw/zinc/65/72/72/1036657272.db2.gz HXVFOUAVTAOKKO-UHFFFAOYSA-N 0 0 343.427 3.596 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)n1 ZINC000102646596 1036738359 /nfs/dbraw/zinc/73/83/59/1036738359.db2.gz DEYVBOILNVOABX-CQSZACIVSA-N 0 0 330.453 3.625 10 0 EHAERN Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)s1 ZINC000102735744 1036757429 /nfs/dbraw/zinc/75/74/29/1036757429.db2.gz UBPORNLMLSNFNW-YVEFUNNKSA-N 0 0 342.464 3.923 10 0 EHAERN O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102915300 1036788715 /nfs/dbraw/zinc/78/87/15/1036788715.db2.gz UWZDUSNIKKBVBB-GOSISDBHSA-N 0 0 346.386 3.941 10 0 EHAERN COC(=O)c1cc(F)ccc1CSc1nc(C)nc(C)c1C(C)=O ZINC000103349912 1036872225 /nfs/dbraw/zinc/87/22/25/1036872225.db2.gz LVUYKBSRERHKOY-UHFFFAOYSA-N 0 0 348.399 3.514 10 0 EHAERN CC(C)(C)CCCC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000103428150 1036909873 /nfs/dbraw/zinc/90/98/73/1036909873.db2.gz RETXGHXXTDEKBJ-UHFFFAOYSA-N 0 0 328.460 3.652 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2COc3ccccc32)o1 ZINC000174439422 1036973224 /nfs/dbraw/zinc/97/32/24/1036973224.db2.gz VZUFHOLLAIBFTO-JKSUJKDBSA-N 0 0 326.396 3.958 10 0 EHAERN CCOc1cc2c(cc1NCc1nc(-c3ccoc3)no1)O[C@@H](C)C2 ZINC000105607069 1037201516 /nfs/dbraw/zinc/20/15/16/1037201516.db2.gz WBECQXGXCGXNPZ-NSHDSACASA-N 0 0 341.367 3.664 10 0 EHAERN Clc1ccccc1-c1noc(OCc2nc(-c3ccoc3)no2)n1 ZINC000105573672 1037213340 /nfs/dbraw/zinc/21/33/40/1037213340.db2.gz MCMIOPOVFMEAPT-UHFFFAOYSA-N 0 0 344.714 3.612 10 0 EHAERN COc1ccc2[nH]c(SCc3nc(-c4ccoc4)no3)nc2c1 ZINC000105571356 1037213549 /nfs/dbraw/zinc/21/35/49/1037213549.db2.gz TYTRWEDBBNJEIK-UHFFFAOYSA-N 0 0 328.353 3.507 10 0 EHAERN CCOc1ccc(CNC(=O)CSc2ccc(OC)cc2)cc1F ZINC000105985132 1037290903 /nfs/dbraw/zinc/29/09/03/1037290903.db2.gz NRMZVIQMVUEARK-UHFFFAOYSA-N 0 0 349.427 3.642 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1cc(Cl)ccc1OC ZINC000104457516 1037294194 /nfs/dbraw/zinc/29/41/94/1037294194.db2.gz FYCXUUOQEIXKTM-UHFFFAOYSA-N 0 0 347.842 3.601 10 0 EHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(C)c(F)c1 ZINC000104768994 1037376950 /nfs/dbraw/zinc/37/69/50/1037376950.db2.gz MCSVGFPFDMCIBO-UHFFFAOYSA-N 0 0 330.403 3.527 10 0 EHAERN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2ncon2)c1 ZINC000101526268 1037569048 /nfs/dbraw/zinc/56/90/48/1037569048.db2.gz MPRUKGBPMQVUBU-UHFFFAOYSA-N 0 0 332.363 3.789 10 0 EHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C3CCCCCC3)cc2)n1 ZINC000101859920 1037575969 /nfs/dbraw/zinc/57/59/69/1037575969.db2.gz BHTJUVVXOGWIJC-UHFFFAOYSA-N 0 0 325.412 3.654 10 0 EHAERN CCCc1noc(CCCC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000117856207 1037865117 /nfs/dbraw/zinc/86/51/17/1037865117.db2.gz XIBVSISBARRUIH-UHFFFAOYSA-N 0 0 345.468 3.722 10 0 EHAERN CCCCC[C@@H](CC)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000179646077 1037875145 /nfs/dbraw/zinc/87/51/45/1037875145.db2.gz NQLXNVNJEDZYRX-OAHLLOKOSA-N 0 0 349.475 3.767 10 0 EHAERN Nc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000119035394 1037882650 /nfs/dbraw/zinc/88/26/50/1037882650.db2.gz ZSQARVAOVBAIFP-UHFFFAOYSA-N 0 0 327.384 3.713 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCO[C@@H](c2ccco2)C1 ZINC000119212715 1037892532 /nfs/dbraw/zinc/89/25/32/1037892532.db2.gz LMVVQPIPLCALGF-SJLPKXTDSA-N 0 0 344.386 3.579 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)n[nH]3)C2)cc1 ZINC000121191086 1037957187 /nfs/dbraw/zinc/95/71/87/1037957187.db2.gz UROYMQRBGHCUAC-DZGCQCFKSA-N 0 0 327.428 3.560 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000332868242 1037959851 /nfs/dbraw/zinc/95/98/51/1037959851.db2.gz GEFYGRXMCXIPDL-BBRMVZONSA-N 0 0 339.443 3.507 10 0 EHAERN Nc1ncnc(N[C@H]2CC3(CCCC3)Oc3ccccc32)c1Cl ZINC000302888010 1038020439 /nfs/dbraw/zinc/02/04/39/1038020439.db2.gz MJIRETRCDJOTIN-LBPRGKRZSA-N 0 0 330.819 3.961 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(F)c(F)c2)cc1 ZINC000123512156 1038027390 /nfs/dbraw/zinc/02/73/90/1038027390.db2.gz VQQZIWDOGCLWMO-GOSISDBHSA-N 0 0 346.377 3.749 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C(C)(C)C3CCCC3)CC2)nc1 ZINC000123547598 1038035017 /nfs/dbraw/zinc/03/50/17/1038035017.db2.gz CHCZZOOTTMCZNL-UHFFFAOYSA-N 0 0 329.488 3.691 10 0 EHAERN C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000408068992 1038626739 /nfs/dbraw/zinc/62/67/39/1038626739.db2.gz KBXKQGMGQUZTCJ-LSDHHAIUSA-N 0 0 329.444 3.575 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000156496350 1038991336 /nfs/dbraw/zinc/99/13/36/1038991336.db2.gz RVQBCKCSQJDTFZ-DDUZABMNSA-N 0 0 336.863 3.738 10 0 EHAERN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000109053531 1039621739 /nfs/dbraw/zinc/62/17/39/1039621739.db2.gz XRKMHYKULPTIRZ-CYBMUJFWSA-N 0 0 348.443 3.846 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C(C)C)C2)no1 ZINC000332787611 1040110428 /nfs/dbraw/zinc/11/04/28/1040110428.db2.gz WORUQZPIKVGOGM-ULQDDVLXSA-N 0 0 348.491 3.557 10 0 EHAERN Cc1nc(-c2ccc(C)c(NC(=O)N3CC[C@@H](C)C[C@H](C)C3)c2)n[nH]1 ZINC000408437541 1040141572 /nfs/dbraw/zinc/14/15/72/1040141572.db2.gz WUAFAOJXMLWRKB-OLZOCXBDSA-N 0 0 341.459 3.988 10 0 EHAERN Cc1cnn([C@H]2CCCN(C(=O)c3sc(C(C)(C)C)nc3C)C2)c1 ZINC000408090741 1040162166 /nfs/dbraw/zinc/16/21/66/1040162166.db2.gz MUGBPOQOAQCAJK-AWEZNQCLSA-N 0 0 346.500 3.731 10 0 EHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000247198501 1041467536 /nfs/dbraw/zinc/46/75/36/1041467536.db2.gz ZVLGBYGERRMYJC-AFAVFJNCSA-N 0 0 326.440 3.575 10 0 EHAERN C[C@@H]1OCC[C@@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302502788 1041954371 /nfs/dbraw/zinc/95/43/71/1041954371.db2.gz MAOKWURTKJATBF-CABZTGNLSA-N 0 0 334.832 3.701 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)cc2c1 ZINC000408212115 1042587612 /nfs/dbraw/zinc/58/76/12/1042587612.db2.gz ULSCQKUUHQCNAX-HKUYNNGSSA-N 0 0 340.467 3.721 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000162373491 1042724483 /nfs/dbraw/zinc/72/44/83/1042724483.db2.gz KANHQWOYNJJSAE-UHFFFAOYSA-N 0 0 333.435 3.668 10 0 EHAERN COc1ccc(C)cc1[C@H](C)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162537887 1042737321 /nfs/dbraw/zinc/73/73/21/1042737321.db2.gz USEKJQVFTCTYKS-LIRRHRJNSA-N 0 0 336.439 3.870 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2cc(F)cc(F)c2)c2ccccc2)[nH]1 ZINC000162565165 1042739698 /nfs/dbraw/zinc/73/96/98/1042739698.db2.gz TVJCARUCSYSYBN-PIGZYNQJSA-N 0 0 328.366 3.832 10 0 EHAERN CC(C)c1nc(C(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1ccccc1F ZINC000330324108 1042900622 /nfs/dbraw/zinc/90/06/22/1042900622.db2.gz TZXWIAWORQZVRW-DZGCQCFKSA-N 0 0 342.418 3.544 10 0 EHAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCCC(C)(C)C1 ZINC000408299961 1042992625 /nfs/dbraw/zinc/99/26/25/1042992625.db2.gz FYZZZECLNYULBW-UHFFFAOYSA-N 0 0 332.473 3.504 10 0 EHAERN C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)[C@H]1C ZINC000247470535 1043043413 /nfs/dbraw/zinc/04/34/13/1043043413.db2.gz RUWDDUVQDHFLBG-IKGGRYGDSA-N 0 0 343.471 3.578 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000408340892 1043353832 /nfs/dbraw/zinc/35/38/32/1043353832.db2.gz PPTARMAXWCTUQS-ONZSBBOASA-N 0 0 343.467 3.660 10 0 EHAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000408359136 1043692486 /nfs/dbraw/zinc/69/24/86/1043692486.db2.gz SICAZCHPXBXZKW-BBRMVZONSA-N 0 0 328.391 3.808 10 0 EHAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000408365690 1043815629 /nfs/dbraw/zinc/81/56/29/1043815629.db2.gz IAULTMMTUPVUSJ-FXAINCCUSA-N 0 0 333.190 3.822 10 0 EHAERN Cc1c(C(=O)NC[C@@H](O)Cc2ccccc2)sc2cccc(F)c12 ZINC000104909434 1127902814 /nfs/dbraw/zinc/90/28/14/1127902814.db2.gz XCHIBPPKWCKKRF-AWEZNQCLSA-N 0 0 343.423 3.682 10 0 EHAERN COc1ccnc(COC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000102151116 1135465550 /nfs/dbraw/zinc/46/55/50/1135465550.db2.gz BAVQHWLPPCEHNC-UHFFFAOYSA-N 0 0 337.828 3.720 10 0 EHAERN O=S(=O)(Nc1cc(F)ccc1Cl)c1cccc2ncccc21 ZINC000102748587 1135639859 /nfs/dbraw/zinc/63/98/59/1135639859.db2.gz ZSOVOHBGAXSZKU-UHFFFAOYSA-N 0 0 336.775 3.828 10 0 EHAERN CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCCC1(C)C ZINC000102920187 1135702699 /nfs/dbraw/zinc/70/26/99/1135702699.db2.gz JWPISIYKBKFIRS-UHFFFAOYSA-N 0 0 326.481 3.863 10 0 EHAERN O=C(CCc1ccc(OC(F)(F)F)cc1)OCCc1cccnc1 ZINC000105558150 1135953530 /nfs/dbraw/zinc/95/35/30/1135953530.db2.gz JDCMQCYQOWKRAI-UHFFFAOYSA-N 0 0 339.313 3.699 10 0 EHAERN Cc1ccc(C(C)C)cc1OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000105755192 1135969573 /nfs/dbraw/zinc/96/95/73/1135969573.db2.gz SHWFHUSNFWCHPU-QGZVFWFLSA-N 0 0 329.440 3.672 10 0 EHAERN CC[C@H](COC(=O)c1cccc(C[S@@](C)=O)c1)c1ccccc1 ZINC000105775337 1135976322 /nfs/dbraw/zinc/97/63/22/1135976322.db2.gz GQAFCQJKJWGAOF-MWTRTKDXSA-N 0 0 330.449 3.916 10 0 EHAERN COCCCOC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000103659362 1137465599 /nfs/dbraw/zinc/46/55/99/1137465599.db2.gz ZRDUKEGYWXFJIQ-UHFFFAOYSA-N 0 0 333.331 3.817 10 0 EHAERN COCCCOC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000103661431 1137466722 /nfs/dbraw/zinc/46/67/22/1137466722.db2.gz KMVDTYXJNWEABE-KBPBESRZSA-N 0 0 331.437 3.926 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@H]3CCOc4ccccc43)c21 ZINC000103127556 1137875239 /nfs/dbraw/zinc/87/52/39/1137875239.db2.gz DFGQSSPONPEMHY-KRWDZBQOSA-N 0 0 334.419 3.701 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000105043278 1137880057 /nfs/dbraw/zinc/88/00/57/1137880057.db2.gz QCDPLAOBMXSPRX-UHFFFAOYSA-N 0 0 349.818 3.806 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000105303844 1137880703 /nfs/dbraw/zinc/88/07/03/1137880703.db2.gz FMACLKKGQHAJHW-INIZCTEOSA-N 0 0 346.500 3.962 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CC12CCOCC2 ZINC000333041838 1137953604 /nfs/dbraw/zinc/95/36/04/1137953604.db2.gz AOORITZXEISENR-SJORKVTESA-N 0 0 328.456 3.568 10 0 EHAERN CC(C)(c1noc([C@H]2CCCN(C(=O)N3CCCC3)C2)n1)C1CCC1 ZINC000333153398 1137956746 /nfs/dbraw/zinc/95/67/46/1137956746.db2.gz IECOJXQEBQVVDH-AWEZNQCLSA-N 0 0 346.475 3.543 10 0 EHAERN CC(C)(c1noc(C2CN(C(=O)C3CCCCC3)C2)n1)C1CCC1 ZINC000333270096 1138273031 /nfs/dbraw/zinc/27/30/31/1138273031.db2.gz VWNMBHOJBXJGHU-UHFFFAOYSA-N 0 0 331.460 3.653 10 0 EHAERN CN(C(=O)Cc1noc(C2=CCC(C)(C)CC2)n1)C1CCCCC1 ZINC000333840469 1138337593 /nfs/dbraw/zinc/33/75/93/1138337593.db2.gz NESKMHHODMOTOS-UHFFFAOYSA-N 0 0 331.460 3.997 10 0 EHAERN CCc1oc(C(=O)OC)cc1CN1CCC[C@H]1c1csc(C)n1 ZINC000189832162 1140366117 /nfs/dbraw/zinc/36/61/17/1140366117.db2.gz HBZOYJWPKDNTES-AWEZNQCLSA-N 0 0 334.441 3.731 10 0 EHAERN COCCOc1ccccc1CN1CCC[C@H]1c1csc(C)n1 ZINC000189940275 1140373755 /nfs/dbraw/zinc/37/37/55/1140373755.db2.gz LVRDCKDXBRERIH-KRWDZBQOSA-N 0 0 332.469 3.814 10 0 EHAERN COc1ccc(C(=O)Cc2sccc2Br)cc1OC ZINC000053762831 214198071 /nfs/dbraw/zinc/19/80/71/214198071.db2.gz SQMZFNRANRFQDL-UHFFFAOYSA-N 0 0 341.226 3.953 10 0 EHAERN CCc1c(SCc2ccccc2)cccc1N1CCOCC1=O ZINC000097758372 219054716 /nfs/dbraw/zinc/05/47/16/219054716.db2.gz NYTYZJFDAZEZEH-UHFFFAOYSA-N 0 0 327.449 3.905 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(C)cc3F)n2)cc1 ZINC000057341870 214420190 /nfs/dbraw/zinc/42/01/90/214420190.db2.gz BSXIZWKMMUVFIU-UHFFFAOYSA-N 0 0 325.343 3.637 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3cc(C)ccc3F)n2)cc1 ZINC000057341883 214420266 /nfs/dbraw/zinc/42/02/66/214420266.db2.gz GQPMULYZUIHDLS-UHFFFAOYSA-N 0 0 325.343 3.637 10 0 EHAERN O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1c1cc(Cl)ccc1Cl)C31CC1 ZINC000004535061 210214488 /nfs/dbraw/zinc/21/44/88/210214488.db2.gz KYLHGOBFNPTCTJ-IOQCUFBNSA-N 0 0 334.202 3.695 10 0 EHAERN O[C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000100279930 219096092 /nfs/dbraw/zinc/09/60/92/219096092.db2.gz GHUZXWXURWKFJG-CALCHBBNSA-N 0 0 339.414 3.939 10 0 EHAERN COc1ccc(Br)cc1Nc1ncnc(Cl)c1C ZINC000104222995 219361478 /nfs/dbraw/zinc/36/14/78/219361478.db2.gz VRELPEQCYXQURL-UHFFFAOYSA-N 0 0 328.597 3.953 10 0 EHAERN Nc1ccc(Cl)cc1NC(=O)c1sccc1Br ZINC000104292586 219370901 /nfs/dbraw/zinc/37/09/01/219370901.db2.gz XAOQDOQVFVRPMH-UHFFFAOYSA-N 0 0 331.622 3.999 10 0 EHAERN COc1ccc(CNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 ZINC000040803665 213388933 /nfs/dbraw/zinc/38/89/33/213388933.db2.gz FSPJYJLMMIHFJX-UHFFFAOYSA-N 0 0 341.407 3.682 10 0 EHAERN Cc1cc(Oc2ncnc(Nc3ccccn3)c2N)ccc1Cl ZINC000040779140 213385523 /nfs/dbraw/zinc/38/55/23/213385523.db2.gz AFUNDYSJKUXMSJ-UHFFFAOYSA-N 0 0 327.775 3.952 10 0 EHAERN Nc1c(Nc2ccccn2)ncnc1Sc1cccc2cccnc21 ZINC000040779305 213385607 /nfs/dbraw/zinc/38/56/07/213385607.db2.gz HSJUDQYRVJCOQP-UHFFFAOYSA-N 0 0 346.419 3.897 10 0 EHAERN CC(=O)Nc1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)cc1 ZINC000040757872 213383897 /nfs/dbraw/zinc/38/38/97/213383897.db2.gz LEJKNHANANHIOU-UHFFFAOYSA-N 0 0 348.410 3.529 10 0 EHAERN COc1ccc(C)cc1Nc1ncnc(Nc2cccc(C)n2)c1N ZINC000040684090 213369652 /nfs/dbraw/zinc/36/96/52/213369652.db2.gz CCPKVXVBBQLKSR-UHFFFAOYSA-N 0 0 336.399 3.566 10 0 EHAERN OCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040401069 213297650 /nfs/dbraw/zinc/29/76/50/213297650.db2.gz MJYUVLOVNSTJAM-UHFFFAOYSA-N 0 0 337.206 3.914 10 0 EHAERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccc(F)cc3)cnc12 ZINC000040359379 213293883 /nfs/dbraw/zinc/29/38/83/213293883.db2.gz PVOZNRQQBPTNLY-UHFFFAOYSA-N 0 0 330.746 3.881 10 0 EHAERN CC(C)C(=O)NCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040274736 213286824 /nfs/dbraw/zinc/28/68/24/213286824.db2.gz FXXPZHBWTDPLFT-UHFFFAOYSA-N 0 0 335.451 3.941 10 0 EHAERN C=CC(=O)NCCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040203652 213281486 /nfs/dbraw/zinc/28/14/86/213281486.db2.gz SIBTTWIRQWSJCB-UHFFFAOYSA-N 0 0 333.435 3.514 10 0 EHAERN CCOC(=O)[C@H](NC1CCCC1)c1cc(Br)ccc1F ZINC000037970745 213177024 /nfs/dbraw/zinc/17/70/24/213177024.db2.gz BRMVLIWZPRZLAA-CQSZACIVSA-N 0 0 344.224 3.725 10 0 EHAERN COc1ccc([C@@H]2c3cccn3CCCN2Cc2cccnc2)cc1O ZINC000037523485 213152699 /nfs/dbraw/zinc/15/26/99/213152699.db2.gz MXRCJRLDHKUWQJ-OAQYLSRUSA-N 0 0 349.434 3.593 10 0 EHAERN Cc1ccc(Br)cc1N[C@H](C)C(=O)NC1CCCC1 ZINC000037368348 213141689 /nfs/dbraw/zinc/14/16/89/213141689.db2.gz OKRRTBDRESWBPP-LLVKDONJSA-N 0 0 325.250 3.617 10 0 EHAERN Cc1cc(Br)cc(N)c1NC(=O)Cc1ccsc1 ZINC000036738935 213114855 /nfs/dbraw/zinc/11/48/55/213114855.db2.gz ZVLCOOSCCZEHOO-UHFFFAOYSA-N 0 0 325.231 3.582 10 0 EHAERN Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2N)s1 ZINC000036738966 213114310 /nfs/dbraw/zinc/11/43/10/213114310.db2.gz AYHQKAVUFZGNIV-UHFFFAOYSA-N 0 0 325.231 3.962 10 0 EHAERN CCN[C@H](c1ccc(Br)o1)c1cc(F)ccc1OC ZINC000035554315 213037361 /nfs/dbraw/zinc/03/73/61/213037361.db2.gz BYUIKWYMXUFUPP-AWEZNQCLSA-N 0 0 328.181 3.889 10 0 EHAERN Cc1cc2c(nc(-c3cccnc3)nc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000072260800 216086180 /nfs/dbraw/zinc/08/61/80/216086180.db2.gz APAFPSDITZGWPU-RYUDHWBXSA-N 0 0 340.452 3.675 10 0 EHAERN Cc1ccc(-c2nnc(CCNC(=O)c3ccccc3Cl)o2)cc1 ZINC000000319463 209536223 /nfs/dbraw/zinc/53/62/23/209536223.db2.gz WXEKHGJFHINMOD-UHFFFAOYSA-N 0 0 341.798 3.671 10 0 EHAERN Nc1cccc(NC(=O)CSc2ccccc2Br)c1 ZINC000037381170 213142424 /nfs/dbraw/zinc/14/24/24/213142424.db2.gz RFODVHUVDOVEBN-UHFFFAOYSA-N 0 0 337.242 3.762 10 0 EHAERN CCOP(=O)(CN1CCn2c3ccccc3c(C)c2C1)OCC ZINC000028564061 212624718 /nfs/dbraw/zinc/62/47/18/212624718.db2.gz NCWWZITUKXUAOB-UHFFFAOYSA-N 0 0 336.372 3.989 10 0 EHAERN COc1ccc(-c2c(C)nn3cc4c(nc23)CC(C)(C)CC4=O)cc1 ZINC000072464046 216246286 /nfs/dbraw/zinc/24/62/86/216246286.db2.gz MVOOCMLVUSQKQP-UHFFFAOYSA-N 0 0 335.407 3.868 10 0 EHAERN Cc1ccccc1NC(=O)c1cn2nc(-c3ccccc3)nc2nc1C ZINC000072466360 216247717 /nfs/dbraw/zinc/24/77/17/216247717.db2.gz LCYAZTFWZWEXFS-UHFFFAOYSA-N 0 0 343.390 3.660 10 0 EHAERN COc1ccc(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1 ZINC000073141220 216354833 /nfs/dbraw/zinc/35/48/33/216354833.db2.gz LQVJIGMISYHCIQ-UHFFFAOYSA-N 0 0 328.755 3.651 10 0 EHAERN CC(=O)Nc1ccc(-c2nc3c[nH]n(C[C@H]4CC=CCC4)c-3n2)cc1 ZINC000023543953 212381412 /nfs/dbraw/zinc/38/14/12/212381412.db2.gz KCAKTGKMWOGRBP-AWEZNQCLSA-N 0 0 335.411 3.741 10 0 EHAERN CC[C@@H](C)NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021944545 212264729 /nfs/dbraw/zinc/26/47/29/212264729.db2.gz CUKFPXZJZQEMLE-OAHLLOKOSA-N 0 0 338.455 3.702 10 0 EHAERN Nc1cc(Br)ccc1NC(=O)c1ccc(F)cc1F ZINC000020520922 212142294 /nfs/dbraw/zinc/14/22/94/212142294.db2.gz RTMXGQNBFMWYKT-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)cc1F ZINC000019874499 212078298 /nfs/dbraw/zinc/07/82/98/212078298.db2.gz AYTFZNYNVBKLRD-UHFFFAOYSA-N 0 0 349.203 3.763 10 0 EHAERN CC(=O)c1ccccc1OCC(=O)Nc1cccc(Br)c1 ZINC000019433272 212026667 /nfs/dbraw/zinc/02/66/67/212026667.db2.gz ZTYNTOPNJDDPSD-UHFFFAOYSA-N 0 0 348.196 3.669 10 0 EHAERN Nc1nc(-c2ccccn2)c(-c2ccnc(Br)c2)s1 ZINC000090602492 217942946 /nfs/dbraw/zinc/94/29/46/217942946.db2.gz HGNHHZJYDDYVRK-UHFFFAOYSA-N 0 0 333.214 3.612 10 0 EHAERN CCOc1ccc(-c2cc(-c3ccco3)nc3ncnc(N)c32)cc1 ZINC000009694589 211117028 /nfs/dbraw/zinc/11/70/28/211117028.db2.gz CFZNVWQYNHWNSW-UHFFFAOYSA-N 0 0 332.363 3.933 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nccc(Cl)n1 ZINC000095086337 218277492 /nfs/dbraw/zinc/27/74/92/218277492.db2.gz PJMQPKPDCRSUCC-LBPRGKRZSA-N 0 0 341.839 3.689 10 0 EHAERN COc1ccc(Cc2noc([C@H]3OCC[C@H]3c3ccccc3)n2)cc1 ZINC000328635753 258025608 /nfs/dbraw/zinc/02/56/08/258025608.db2.gz VBCJIXZBDHUQKT-HKUYNNGSSA-N 0 0 336.391 3.914 10 0 EHAERN O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1C[C@@H]1c1ccco1 ZINC000123537069 222293428 /nfs/dbraw/zinc/29/34/28/222293428.db2.gz MIMUHIAFQNTYMR-KBPBESRZSA-N 0 0 346.224 3.951 10 0 EHAERN Nc1ccc(Br)cc1C(=O)Nc1cc(F)ccc1F ZINC000123653079 222312073 /nfs/dbraw/zinc/31/20/73/222312073.db2.gz FREGSILLSFMIBE-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000027871589 525085264 /nfs/dbraw/zinc/08/52/64/525085264.db2.gz CFPZXZJWKHJPQI-HIFRSBDPSA-N 0 0 332.469 3.693 10 0 EHAERN COc1ccc2cc([C@H](C)C(=O)N[C@H](C)[C@@H]3CCCO3)ccc2c1 ZINC000027865917 525640472 /nfs/dbraw/zinc/64/04/72/525640472.db2.gz XPWLJSJBCMNXNW-KSMMKXTCSA-N 0 0 327.424 3.636 10 0 EHAERN CCc1ccc2nc(N3CCC(C(=O)N[C@@H](C)CC)CC3)sc2c1 ZINC000000213132 563261283 /nfs/dbraw/zinc/26/12/83/563261283.db2.gz ZMGFPTFMVMYTNP-ZDUSSCGKSA-N 0 0 345.512 3.990 10 0 EHAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000724113327 563963509 /nfs/dbraw/zinc/96/35/09/563963509.db2.gz YFXQIPAYSBDXNV-ACJLOTCBSA-N 0 0 336.501 3.804 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C(=O)C1 ZINC000071790576 563965835 /nfs/dbraw/zinc/96/58/35/563965835.db2.gz JAIKJLZAQPHIEO-ZDUSSCGKSA-N 0 0 343.345 3.999 10 0 EHAERN CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O[C@H](C)CC)cc1 ZINC000005909307 564033037 /nfs/dbraw/zinc/03/30/37/564033037.db2.gz PZMKNRGLZYFPOT-FHLIZLRMSA-N 0 0 345.439 3.948 10 0 EHAERN COc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(C)ccc2O3)c1O ZINC000006748476 564084845 /nfs/dbraw/zinc/08/48/45/564084845.db2.gz AGAINGVPFPGALE-UHFFFAOYSA-N 0 0 336.347 3.568 10 0 EHAERN CCCn1ccc2oc(C)c(C(=O)NCc3cccc(C)c3)c2c1=O ZINC000075524595 564087861 /nfs/dbraw/zinc/08/78/61/564087861.db2.gz WXIRWZIXMQZIRI-UHFFFAOYSA-N 0 0 338.407 3.551 10 0 EHAERN Cn1ccnc1[C@@H]1OCC[C@H]1c1nc(-c2ccc(F)cc2Cl)no1 ZINC000521394158 564090880 /nfs/dbraw/zinc/09/08/80/564090880.db2.gz ZPHYSLHPJFSAAV-DGCLKSJQSA-N 0 0 348.765 3.508 10 0 EHAERN C=C1C(Nc2ccc(F)cc2F)=NS(=O)(=O)C1c1ccccc1 ZINC000006797429 564098061 /nfs/dbraw/zinc/09/80/61/564098061.db2.gz MNBVPZOTTCENIW-UHFFFAOYSA-N 0 0 334.347 3.550 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)c2snc(-c3ccncc3)c2N)cc1 ZINC000065150100 564101836 /nfs/dbraw/zinc/10/18/36/564101836.db2.gz JBBOFSGLYJIDMP-GFCCVEGCSA-N 0 0 338.436 3.587 10 0 EHAERN Cc1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)s1 ZINC000328614570 564136903 /nfs/dbraw/zinc/13/69/03/564136903.db2.gz AKFITXRIVPJKKL-DLBZAZTESA-N 0 0 347.484 3.570 10 0 EHAERN CC(C)c1cnc(CN2CCC[C@@H](Nc3ccc(N)nc3)CC2)s1 ZINC000328646634 564137205 /nfs/dbraw/zinc/13/72/05/564137205.db2.gz STTVOLSSWXHSNS-CQSZACIVSA-N 0 0 345.516 3.541 10 0 EHAERN COc1ccc(O)c(C(=O)c2c[nH]c(-c3nc4ccccc4[nH]3)c2)c1 ZINC000007986578 564161845 /nfs/dbraw/zinc/16/18/45/564161845.db2.gz GGTZKZMZCIXNSE-UHFFFAOYSA-N 0 0 333.347 3.503 10 0 EHAERN C[C@@H](COCc1ccccc1)CC(=O)[C@H](C)CNC(=O)OC(C)(C)C ZINC000685961768 564177216 /nfs/dbraw/zinc/17/72/16/564177216.db2.gz ODUZXIMKLZEHQD-HZPDHXFCSA-N 0 0 349.471 3.959 10 0 EHAERN Cc1ccc(C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c(C)c1Br ZINC000719552390 955170689 /nfs/dbraw/zinc/17/06/89/955170689.db2.gz FQDAWSSREFBPBE-HNNXBMFYSA-N 0 0 326.234 3.505 10 0 EHAERN C[N@H+](Cc1csc(C(=O)[O-])c1)Cc1ccc(Br)cc1 ZINC000689083442 976210881 /nfs/dbraw/zinc/21/08/81/976210881.db2.gz MYHSAMFDJQEHAE-UHFFFAOYSA-N 0 0 340.242 3.841 10 0 EHAERN C[C@H]1C[N@H+](Cc2cccc(Cl)c2Br)C[C@]1(C)C(=O)[O-] ZINC000719432589 978003834 /nfs/dbraw/zinc/00/38/34/978003834.db2.gz CDFLPRIXRVROLY-XPTSAGLGSA-N 0 0 346.652 3.645 10 0 EHAERN CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(S(C)(=O)=O)c1 ZINC000246062763 1015786650 /nfs/dbraw/zinc/78/66/50/1015786650.db2.gz YMQSNJVVOIINJO-OWCLPIDISA-N 0 0 349.496 3.659 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000246232242 1015890751 /nfs/dbraw/zinc/89/07/51/1015890751.db2.gz SNHSJWVIMVCFEQ-JKIFEVAISA-N 0 0 329.444 3.573 10 0 EHAERN O=C(c1cc2cc(F)ccc2s1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177985416 1016507749 /nfs/dbraw/zinc/50/77/49/1016507749.db2.gz INUJHHZYRHVGSK-FZKQIMNGSA-N 0 0 333.428 3.808 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)Nc2ccc(F)c(Cl)c2)[nH]1 ZINC000407976513 1016662282 /nfs/dbraw/zinc/66/22/82/1016662282.db2.gz UNCNWDOIPICJBT-CYBMUJFWSA-N 0 0 337.786 3.665 10 0 EHAERN c1csc(-c2nc(CN3CCCN(c4ccccn4)CC3)co2)c1 ZINC000183839210 1032232588 /nfs/dbraw/zinc/23/25/88/1032232588.db2.gz PCPQFOVWNOSNNK-UHFFFAOYSA-N 0 0 340.452 3.510 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(Cc3nccn3C)CC2)CC(C)(C)C1 ZINC000184242297 1032276820 /nfs/dbraw/zinc/27/68/20/1032276820.db2.gz WYIITWJHLWEEKO-NVXWUHKLSA-N 0 0 331.504 3.664 10 0 EHAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000122685196 1017147165 /nfs/dbraw/zinc/14/71/65/1017147165.db2.gz PNBGDPXLVTYMJO-QGZVFWFLSA-N 0 0 342.830 3.841 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(N2CCCNC2=O)c1 ZINC000176665922 1017436576 /nfs/dbraw/zinc/43/65/76/1017436576.db2.gz XBEZYVVJGLPAMT-RHSMWYFYSA-N 0 0 343.471 3.551 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1 ZINC000333787312 1019006439 /nfs/dbraw/zinc/00/64/39/1019006439.db2.gz CRHRNELBJVUPHO-BDFQZXNOSA-N 0 0 327.428 3.545 10 0 EHAERN COc1cc(OC)c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1F ZINC000333508774 1019811537 /nfs/dbraw/zinc/81/15/37/1019811537.db2.gz LQCXCJMCVFEOCZ-UXVJVKIESA-N 0 0 348.418 3.743 10 0 EHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCc3n[nH]cc32)o1 ZINC000246417512 1020074557 /nfs/dbraw/zinc/07/45/57/1020074557.db2.gz BUWZZNIFDHAHFV-XUWXXGDYSA-N 0 0 341.455 3.985 10 0 EHAERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CCCc3n[nH]cc32)o1 ZINC000246417526 1020075116 /nfs/dbraw/zinc/07/51/16/1020075116.db2.gz BUWZZNIFDHAHFV-YEWWUXTCSA-N 0 0 341.455 3.985 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)NCCCc1nc(C(C)C)no1 ZINC000588400390 1020506572 /nfs/dbraw/zinc/50/65/72/1020506572.db2.gz MTWIOCSQNZVCGE-QINSGFPZSA-N 0 0 327.428 3.654 10 0 EHAERN O=C(/C=C\c1ccco1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000588426675 1021592093 /nfs/dbraw/zinc/59/20/93/1021592093.db2.gz NNVLDSLMUIUOSF-LMVHVUTASA-N 0 0 331.240 3.991 10 0 EHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc3nc(C)[nH]c32)C12CCCC2 ZINC000328723041 1022464510 /nfs/dbraw/zinc/46/45/10/1022464510.db2.gz XUYUBHIGPVHQOY-SJORKVTESA-N 0 0 341.455 3.681 10 0 EHAERN O=C(CC[C@H]1CCCO1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000328726465 1022488380 /nfs/dbraw/zinc/48/83/80/1022488380.db2.gz ZQLZATAWVCVWLV-DNVCBOLYSA-N 0 0 342.439 3.570 10 0 EHAERN COc1c(C)cc(CN(C)CC(=O)Nc2ccc(F)cc2F)cc1C ZINC000101566491 1022510911 /nfs/dbraw/zinc/51/09/11/1022510911.db2.gz MFJGITXOEXAXFR-UHFFFAOYSA-N 0 0 348.393 3.661 10 0 EHAERN O=C(c1csc(C2CC2)n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000328912143 1022544355 /nfs/dbraw/zinc/54/43/55/1022544355.db2.gz OULIHLDIAYUSQH-OAHLLOKOSA-N 0 0 338.436 3.874 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CCCc3n[nH]cc32)o1 ZINC000246629832 1022565497 /nfs/dbraw/zinc/56/54/97/1022565497.db2.gz SRATZXWUPJDWSS-JDFRZJQESA-N 0 0 327.428 3.731 10 0 EHAERN Cc1ccc(F)cc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101737471 1022687726 /nfs/dbraw/zinc/68/77/26/1022687726.db2.gz NCNQHPTYVYEHTQ-AWEZNQCLSA-N 0 0 349.450 3.539 10 0 EHAERN Cn1nccc1CNC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000101937618 1022786311 /nfs/dbraw/zinc/78/63/11/1022786311.db2.gz VJETUIFFJMHEAT-IBGZPJMESA-N 0 0 340.471 3.931 10 0 EHAERN COc1ccc2nc(NC(=O)/C=C\c3ncccc3C)sc2c1 ZINC000588451383 1023005628 /nfs/dbraw/zinc/00/56/28/1023005628.db2.gz GQAQEOITNQTRPU-FPLPWBNLSA-N 0 0 325.393 3.660 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000588453390 1023049641 /nfs/dbraw/zinc/04/96/41/1023049641.db2.gz SEXVOSFONLBSBJ-QIAWRQBBSA-N 0 0 330.815 3.640 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000180224112 1023271310 /nfs/dbraw/zinc/27/13/10/1023271310.db2.gz DQJYEDVRELIGQY-DMKPSLHHSA-N 0 0 340.471 3.849 10 0 EHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ncc(F)cc1F ZINC000190404704 1023285245 /nfs/dbraw/zinc/28/52/45/1023285245.db2.gz SNANVWNWHZBAGV-HNNXBMFYSA-N 0 0 344.361 3.926 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000180525056 1023287502 /nfs/dbraw/zinc/28/75/02/1023287502.db2.gz LMAVYASFUGZXRI-VBHSOAQHSA-N 0 0 344.434 3.585 10 0 EHAERN CN(C(=O)/C=C\c1ccnc2ccccc12)c1nc2ccccc2n1C ZINC000588462948 1023308937 /nfs/dbraw/zinc/30/89/37/1023308937.db2.gz NJJSZIYXQJWYPE-QXMHVHEDSA-N 0 0 342.402 3.798 10 0 EHAERN Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@H]1c1cnn(C)c1 ZINC000328905415 1024052064 /nfs/dbraw/zinc/05/20/64/1024052064.db2.gz JYLLPMSHHQCKFF-HNNXBMFYSA-N 0 0 346.500 3.751 10 0 EHAERN CCO[C@@H]1C[C@H](Nc2ncncc2-c2ccccc2)C12CCOCC2 ZINC000329989697 1024276182 /nfs/dbraw/zinc/27/61/82/1024276182.db2.gz VMLHBOUKTPKJBT-ZWKOTPCHSA-N 0 0 339.439 3.530 10 0 EHAERN CC[C@H]1CCCCCN1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000153704971 1024296107 /nfs/dbraw/zinc/29/61/07/1024296107.db2.gz LNZSUJKSWKAKBF-GJZGRUSLSA-N 0 0 333.480 3.601 10 0 EHAERN COc1cccc(C)c1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000194970478 1024471406 /nfs/dbraw/zinc/47/14/06/1024471406.db2.gz IBDCSARJRGOPPT-CYBMUJFWSA-N 0 0 331.441 3.872 10 0 EHAERN CSc1ccc([C@@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000280995900 1024505854 /nfs/dbraw/zinc/50/58/54/1024505854.db2.gz AUEBIBLJXQKOBN-IDHHARJASA-N 0 0 348.512 3.806 10 0 EHAERN CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000151777193 1024612582 /nfs/dbraw/zinc/61/25/82/1024612582.db2.gz XEQMXINKDQPLBS-SSVWKNEZSA-N 0 0 341.407 3.600 10 0 EHAERN Cc1cccc(NC2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000151783934 1024624564 /nfs/dbraw/zinc/62/45/64/1024624564.db2.gz RJCKCBLXEQIAIX-MRXNPFEDSA-N 0 0 341.282 3.982 10 0 EHAERN COc1cccc(F)c1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000186261099 1024700766 /nfs/dbraw/zinc/70/07/66/1024700766.db2.gz IZJRKMHKZBJNDR-NSHDSACASA-N 0 0 335.404 3.702 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000588497080 1025102630 /nfs/dbraw/zinc/10/26/30/1025102630.db2.gz KQHSIRWZAHHZGC-PEZBUJJGSA-N 0 0 342.483 3.534 10 0 EHAERN CS(=O)(=O)C1(c2nc(C(C3CCC3)C3CCC3)no2)CCCC1 ZINC000329030229 1025574176 /nfs/dbraw/zinc/57/41/76/1025574176.db2.gz WWEQVIBYQKWFKV-UHFFFAOYSA-N 0 0 338.473 3.567 10 0 EHAERN CC(C)(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]32)n(-c2ccccn2)n1 ZINC000329399992 1025810998 /nfs/dbraw/zinc/81/09/98/1025810998.db2.gz AYMVQVQEAKZBME-UONOGXRCSA-N 0 0 339.443 3.581 10 0 EHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000121844851 1025910633 /nfs/dbraw/zinc/91/06/33/1025910633.db2.gz BYAKGQHNFJDBQA-APWZRJJASA-N 0 0 343.515 3.625 10 0 EHAERN Cc1cc(-c2noc([C@@H]3C[C@]34CCOC4)n2)ccc1N1CC[C@@H](C)C1 ZINC000329628864 1026104696 /nfs/dbraw/zinc/10/46/96/1026104696.db2.gz VXSCTFKEWBDGFC-PSGMQZRDSA-N 0 0 339.439 3.785 10 0 EHAERN COc1ccc(F)cc1CNC(=O)/C=C\c1nc2ccccc2s1 ZINC000588524481 1026418006 /nfs/dbraw/zinc/41/80/06/1026418006.db2.gz OUKBUJKJGXHIQV-HJWRWDBZSA-N 0 0 342.395 3.774 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccncc2)C12CCCC2 ZINC000152907011 1026836052 /nfs/dbraw/zinc/83/60/52/1026836052.db2.gz RKPWEKXMKRKETO-USXIJHARSA-N 0 0 331.460 3.522 10 0 EHAERN Cc1nc(CN2CCC(CNc3nc4ccccc4[nH]3)CC2)cs1 ZINC000301890459 1026981098 /nfs/dbraw/zinc/98/10/98/1026981098.db2.gz QWZULNMNBFUFNI-UHFFFAOYSA-N 0 0 341.484 3.652 10 0 EHAERN O=S(=O)(Cc1cccc(F)c1)N1CC=C(c2cccs2)CC1 ZINC000117932288 1027084615 /nfs/dbraw/zinc/08/46/15/1027084615.db2.gz HHBWHHCBXZCLGP-UHFFFAOYSA-N 0 0 337.441 3.506 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CC2(C)CCCCC2)c2ccccc2)[nH]1 ZINC000127215258 1027286885 /nfs/dbraw/zinc/28/68/85/1027286885.db2.gz HQIBDPNZXSAPSB-KRWDZBQOSA-N 0 0 326.444 3.679 10 0 EHAERN CC(C)(C)c1noc(CN2CCC(Nc3ccccc3F)CC2)n1 ZINC000128900094 1027494845 /nfs/dbraw/zinc/49/48/45/1027494845.db2.gz SHAGKKDMPJEKLZ-UHFFFAOYSA-N 0 0 332.423 3.583 10 0 EHAERN CCc1c(C(=O)N2CCC[C@H](c3nccs3)C2)cnn1CC(C)C ZINC000129967809 1027622771 /nfs/dbraw/zinc/62/27/71/1027622771.db2.gz CYVGULWTTCNOGF-AWEZNQCLSA-N 0 0 346.500 3.578 10 0 EHAERN COc1cc(F)c(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1OC ZINC000130582475 1027681837 /nfs/dbraw/zinc/68/18/37/1027681837.db2.gz PMIFYAIHTFOWOK-LJQANCHMSA-N 0 0 333.403 3.805 10 0 EHAERN O=C(CCc1nc(-c2ccoc2)no1)N1CC=C(c2ccccc2)CC1 ZINC000130717062 1027697848 /nfs/dbraw/zinc/69/78/48/1027697848.db2.gz VYEGXQUIAUSXKT-UHFFFAOYSA-N 0 0 349.390 3.578 10 0 EHAERN O=C(CNc1ccc(F)c(F)c1F)N1CCC[C@H]1c1cccs1 ZINC000198662728 1027850279 /nfs/dbraw/zinc/85/02/79/1027850279.db2.gz AEWDAQHCTYIVEX-LBPRGKRZSA-N 0 0 340.370 3.941 10 0 EHAERN CO[C@@H]1CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC[C@H]1C ZINC000588552384 1027889183 /nfs/dbraw/zinc/88/91/83/1027889183.db2.gz GSBCWANLJNLELD-DEQITEPFSA-N 0 0 339.382 3.575 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3cccc(C)c3Cl)CC2)n1 ZINC000133147848 1028002777 /nfs/dbraw/zinc/00/27/77/1028002777.db2.gz BVCVBNHRPJGRLU-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN CCOc1ccc(CCC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000134062930 1028091494 /nfs/dbraw/zinc/09/14/94/1028091494.db2.gz JYSNOOIRJFFFNL-LJQANCHMSA-N 0 0 343.423 3.519 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3c[nH]c4c3cccc4C)CCO2)o1 ZINC000134192520 1028099003 /nfs/dbraw/zinc/09/90/03/1028099003.db2.gz YRTAVVPDOCSWKL-SFHVURJKSA-N 0 0 338.407 3.520 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3cc(C)c(F)c(C)c3)CC2)nc1 ZINC000134741621 1028147404 /nfs/dbraw/zinc/14/74/04/1028147404.db2.gz ZRGDGKGGADOMLS-UHFFFAOYSA-N 0 0 341.430 3.545 10 0 EHAERN CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000105246754 1028183047 /nfs/dbraw/zinc/18/30/47/1028183047.db2.gz SWYXOQKQHUDFNJ-OAHLLOKOSA-N 0 0 347.528 3.738 10 0 EHAERN CCC1CCC(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000153577311 1028232103 /nfs/dbraw/zinc/23/21/03/1028232103.db2.gz PQIYNWDVASSVFT-YMAMQOFZSA-N 0 0 333.480 3.504 10 0 EHAERN CCc1cnccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000136099287 1028234131 /nfs/dbraw/zinc/23/41/31/1028234131.db2.gz XPTXOSYMWCZBCH-UHFFFAOYSA-N 0 0 335.407 3.805 10 0 EHAERN CCCOc1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000137041865 1028286162 /nfs/dbraw/zinc/28/61/62/1028286162.db2.gz RWSPUBJCKGGJGA-GOSISDBHSA-N 0 0 341.411 3.556 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000248427119 1028352073 /nfs/dbraw/zinc/35/20/73/1028352073.db2.gz OOQKCRBJKWZUCS-JEBQAFNWSA-N 0 0 341.455 3.621 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000068289968 1028392624 /nfs/dbraw/zinc/39/26/24/1028392624.db2.gz ZTTGMJFRJRAVDT-CYBMUJFWSA-N 0 0 336.347 3.560 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000588562392 1028434756 /nfs/dbraw/zinc/43/47/56/1028434756.db2.gz HGUNFBDHKGIQQT-WJDWOHSUSA-N 0 0 344.418 3.585 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000194621478 1028526208 /nfs/dbraw/zinc/52/62/08/1028526208.db2.gz JFEGPMOTDZLGDE-ZIAGYGMSSA-N 0 0 333.823 3.545 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000246453861 1028544437 /nfs/dbraw/zinc/54/44/37/1028544437.db2.gz IZXNFFPNHAPEDE-FCNFAXOHSA-N 0 0 343.467 3.653 10 0 EHAERN Cc1cc(NC(=O)[C@H]2CCCc3cccnc32)n(Cc2ccccc2)n1 ZINC000195446611 1028613012 /nfs/dbraw/zinc/61/30/12/1028613012.db2.gz VYCBWGBLUKRXCV-SFHVURJKSA-N 0 0 346.434 3.693 10 0 EHAERN O=C(CN1CCC[C@@H](c2nccs2)C1)Nc1cccc(Cl)c1 ZINC000195352509 1028634368 /nfs/dbraw/zinc/63/43/68/1028634368.db2.gz PCOASXJDWIPDGI-GFCCVEGCSA-N 0 0 335.860 3.615 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000075389759 1028652183 /nfs/dbraw/zinc/65/21/83/1028652183.db2.gz PCSIULHSRSVCNI-IIDMSEBBSA-N 0 0 341.407 3.859 10 0 EHAERN O=C(NC[C@@H]1CC=CCC1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246602296 1028668456 /nfs/dbraw/zinc/66/84/56/1028668456.db2.gz VYENBLAXLOXZBC-OWCLPIDISA-N 0 0 334.485 3.702 10 0 EHAERN O=C(NCc1ccccc1F)N1CCC(Nc2ccccc2F)CC1 ZINC000075497009 1028684100 /nfs/dbraw/zinc/68/41/00/1028684100.db2.gz MIVFTAKLUBYRKC-UHFFFAOYSA-N 0 0 345.393 3.751 10 0 EHAERN CCN(Cc1cccs1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246731013 1028685100 /nfs/dbraw/zinc/68/51/00/1028685100.db2.gz NYDUCPDRCLAACU-ARFHVFGLSA-N 0 0 334.485 3.627 10 0 EHAERN Cc1cccc(CNC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)n1 ZINC000105164638 1028695298 /nfs/dbraw/zinc/69/52/98/1028695298.db2.gz GPFGWNZVTILEDL-FQEVSTJZSA-N 0 0 346.434 3.506 10 0 EHAERN CC(=O)Nc1nc(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cs1 ZINC000245410169 1028705600 /nfs/dbraw/zinc/70/56/00/1028705600.db2.gz PSTFHWOLTJKPEI-BDJLRTHQSA-N 0 0 333.432 3.824 10 0 EHAERN Clc1ccccc1-c1cnc(CN2CCC(C3OCCO3)CC2)o1 ZINC000075684697 1028733815 /nfs/dbraw/zinc/73/38/15/1028733815.db2.gz UULRZMWURAMCBZ-UHFFFAOYSA-N 0 0 348.830 3.580 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N(C)C1CCCCCCC1 ZINC000153813952 1028787934 /nfs/dbraw/zinc/78/79/34/1028787934.db2.gz NGCMYJHOEFALQW-INIZCTEOSA-N 0 0 347.507 3.991 10 0 EHAERN CCNC(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248438724 1028791479 /nfs/dbraw/zinc/79/14/79/1028791479.db2.gz TVUKWWFOUAMFPJ-QILLFSRXSA-N 0 0 343.471 3.787 10 0 EHAERN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247617984 1028805178 /nfs/dbraw/zinc/80/51/78/1028805178.db2.gz STORBNZDLRQPFU-XQQFMLRXSA-N 0 0 348.493 3.867 10 0 EHAERN C[C@@H]1CCN(Cc2nc3cc(Cl)ccc3n2C)C[C@H]1n1ccnc1 ZINC000247736758 1028812726 /nfs/dbraw/zinc/81/27/26/1028812726.db2.gz VPZYFPOBXGJZSE-CXAGYDPISA-N 0 0 343.862 3.506 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)[C@H]2CCO[C@H]21 ZINC000248340512 1028867472 /nfs/dbraw/zinc/86/74/72/1028867472.db2.gz IQKORHDJJXJFAD-KBRIMQKVSA-N 0 0 327.380 3.615 10 0 EHAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000248465278 1028914252 /nfs/dbraw/zinc/91/42/52/1028914252.db2.gz CJHRNWKHTYVRFP-KSZLIROESA-N 0 0 335.875 3.904 10 0 EHAERN CCC(CC)n1ncc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1C ZINC000245652407 1028977087 /nfs/dbraw/zinc/97/70/87/1028977087.db2.gz KJNHESNHDIKDJC-MISYRCLQSA-N 0 0 337.467 3.868 10 0 EHAERN CN1CC[C@H](NC(=O)Nc2ccccc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000245664871 1028986436 /nfs/dbraw/zinc/98/64/36/1028986436.db2.gz IPJNMJFXSMXXDC-DLBZAZTESA-N 0 0 349.356 3.671 10 0 EHAERN C[C@@H]1CN(Cc2ccc(N3CCCC3)nc2)C[C@@H](c2ccsc2)O1 ZINC000245693661 1029019427 /nfs/dbraw/zinc/01/94/27/1029019427.db2.gz BXQUNRQVHUPBCW-QAPCUYQASA-N 0 0 343.496 3.705 10 0 EHAERN C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C)c1ccncc1 ZINC000076944390 1029057304 /nfs/dbraw/zinc/05/73/04/1029057304.db2.gz ZSJAREYSYBLZST-KEYYUXOJSA-N 0 0 327.403 3.869 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@H]1c1ccccc1 ZINC000077854782 1029161927 /nfs/dbraw/zinc/16/19/27/1029161927.db2.gz OUJCVCBNVIVLGX-PMACEKPBSA-N 0 0 338.451 3.699 10 0 EHAERN Cc1c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cccc1-c1ccccn1 ZINC000245729255 1029180409 /nfs/dbraw/zinc/18/04/09/1029180409.db2.gz RLHHPOXANXKHEA-SXLOBPIMSA-N 0 0 336.435 3.744 10 0 EHAERN COCc1ccccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078187727 1029239570 /nfs/dbraw/zinc/23/95/70/1029239570.db2.gz UNTMEJZKVDRVOE-YJBOKZPZSA-N 0 0 339.435 3.860 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1Cl ZINC000245794046 1029309798 /nfs/dbraw/zinc/30/97/98/1029309798.db2.gz JCPMFMLCKOUNKX-LERXQTSPSA-N 0 0 326.223 3.681 10 0 EHAERN Cc1ccc(C)c([C@H]2CN(c3nc4ccccc4c(=O)[nH]3)[C@@H](C)CO2)c1 ZINC000253597464 1029339668 /nfs/dbraw/zinc/33/96/68/1029339668.db2.gz AVFGCGPAINVKCP-HNAYVOBHSA-N 0 0 349.434 3.919 10 0 EHAERN Fc1ccccc1NC1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000154875954 1029343387 /nfs/dbraw/zinc/34/33/87/1029343387.db2.gz FJMVPNOIWTXIRN-UHFFFAOYSA-N 0 0 346.353 3.777 10 0 EHAERN CCCn1c(C)nnc1CN1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000245913473 1029465997 /nfs/dbraw/zinc/46/59/97/1029465997.db2.gz VUYRAFNWTNQMDF-DYVFJYSZSA-N 0 0 348.878 3.612 10 0 EHAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccncc2)C12CCCCC2 ZINC000078830213 1029478381 /nfs/dbraw/zinc/47/83/81/1029478381.db2.gz ISHUYWWNWXTSCU-BHYGNILZSA-N 0 0 331.460 3.570 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114806559 1029834851 /nfs/dbraw/zinc/83/48/51/1029834851.db2.gz YUFDLJAAXFNRNN-ZDUSSCGKSA-N 0 0 344.440 3.513 10 0 EHAERN O=C(CSc1ccc(O)cc1)N1CC=C(c2cccs2)CC1 ZINC000156489615 1029856581 /nfs/dbraw/zinc/85/65/81/1029856581.db2.gz PHHXHAHHCQALDI-UHFFFAOYSA-N 0 0 331.462 3.862 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CSCC(F)(F)F)C2)cc1 ZINC000090420177 1030112819 /nfs/dbraw/zinc/11/28/19/1030112819.db2.gz LZAAHKNIRFKBDI-YPMHNXCESA-N 0 0 347.402 3.695 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)o1 ZINC000249200525 1030581950 /nfs/dbraw/zinc/58/19/50/1030581950.db2.gz QWIVPXMQGYLMTG-JLPXDJIOSA-N 0 0 332.444 3.638 10 0 EHAERN CC(C)c1nn(C)c(Cl)c1CN1CCO[C@H](c2ccsc2)C1 ZINC000093768448 1030670991 /nfs/dbraw/zinc/67/09/91/1030670991.db2.gz CFTMFDMLQCYZMV-AWEZNQCLSA-N 0 0 339.892 3.832 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cnc(C)n3-c3ccccc3)CCO2)o1 ZINC000093864867 1030687080 /nfs/dbraw/zinc/68/70/80/1030687080.db2.gz DZHBKXMTMVSDKS-FQEVSTJZSA-N 0 0 337.423 3.656 10 0 EHAERN Cc1csc(C2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)CC2)n1 ZINC000171221409 1030748404 /nfs/dbraw/zinc/74/84/04/1030748404.db2.gz WSRSUQGQAXJTIZ-XYPWUTKMSA-N 0 0 346.496 3.553 10 0 EHAERN C[C@@]1(C(=O)N[C@H](c2nccs2)c2ccccc2)CC1(Cl)Cl ZINC000171496728 1030785789 /nfs/dbraw/zinc/78/57/89/1030785789.db2.gz HBXLAJKPVMOFPZ-FZMZJTMJSA-N 0 0 341.263 3.933 10 0 EHAERN CC(C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000171599593 1030801188 /nfs/dbraw/zinc/80/11/88/1030801188.db2.gz QWUWOBUOIGEIBH-CKEIUWERSA-N 0 0 346.496 3.821 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172440936 1030948647 /nfs/dbraw/zinc/94/86/47/1030948647.db2.gz YDFCYNMVYMEPMZ-DZGCQCFKSA-N 0 0 337.206 3.773 10 0 EHAERN O=C([C@@H]1CSc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000172379394 1030952505 /nfs/dbraw/zinc/95/25/05/1030952505.db2.gz JXDUQHPJOPXMMW-TZMCWYRMSA-N 0 0 330.478 3.739 10 0 EHAERN Cc1cccc2c(CC(=O)N3CCC[C@H](c4nccs4)C3)c[nH]c21 ZINC000172841180 1031007742 /nfs/dbraw/zinc/00/77/42/1031007742.db2.gz KLDWMRTUJFALMQ-AWEZNQCLSA-N 0 0 339.464 3.882 10 0 EHAERN CC(C)CC1(c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)CCCC1 ZINC000329547132 1031086313 /nfs/dbraw/zinc/08/63/13/1031086313.db2.gz AZEGIASSFYZOFS-CVEARBPZSA-N 0 0 333.476 3.853 10 0 EHAERN O=C(c1cc2c(s1)CCCCCC2)N1CCCC[C@H]1c1nc[nH]n1 ZINC000296558455 1031249243 /nfs/dbraw/zinc/24/92/43/1031249243.db2.gz ZUHBHHFAWISXHV-AWEZNQCLSA-N 0 0 344.484 3.893 10 0 EHAERN C[C@@]1(c2nc(-c3ccsc3)no2)CCCN1C(=O)c1ccccc1 ZINC000116606466 1031254732 /nfs/dbraw/zinc/25/47/32/1031254732.db2.gz QYZSYBHVDKEUBS-SFHVURJKSA-N 0 0 339.420 3.950 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCCCSC)C2)c1 ZINC000175410183 1031306785 /nfs/dbraw/zinc/30/67/85/1031306785.db2.gz GAOMSDSQFIHVOU-AWEZNQCLSA-N 0 0 337.485 3.553 10 0 EHAERN O=C(NC1c2ccccc2Oc2ccccc21)c1ncncc1Cl ZINC000176029764 1031408913 /nfs/dbraw/zinc/40/89/13/1031408913.db2.gz DAYHMABPNWTARP-UHFFFAOYSA-N 0 0 337.766 3.755 10 0 EHAERN C[C@H]1CCC[C@@H](N(C)C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000176625633 1031468279 /nfs/dbraw/zinc/46/82/79/1031468279.db2.gz HKQWRKBZPJEASJ-GOEBONIOSA-N 0 0 335.517 3.937 10 0 EHAERN Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177775892 1031566185 /nfs/dbraw/zinc/56/61/85/1031566185.db2.gz JBISOLRZPDHYLT-OAHLLOKOSA-N 0 0 344.484 3.610 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3csc(-c4ccccn4)n3)CCO2)o1 ZINC000158794816 1031615795 /nfs/dbraw/zinc/61/57/95/1031615795.db2.gz FNCGQQJOLGGOIL-QGZVFWFLSA-N 0 0 341.436 3.680 10 0 EHAERN CC1(C)CCC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000178085123 1031621044 /nfs/dbraw/zinc/62/10/44/1031621044.db2.gz RITLEWGKZWPHOU-UHFFFAOYSA-N 0 0 348.531 3.844 10 0 EHAERN O=C(Nc1cccc(-n2cccc2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000178199184 1031640954 /nfs/dbraw/zinc/64/09/54/1031640954.db2.gz IOZAEJIJXSEKRB-IBGZPJMESA-N 0 0 348.406 3.558 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)C(c1ccccc1)c1ccccc1 ZINC000178300707 1031651860 /nfs/dbraw/zinc/65/18/60/1031651860.db2.gz GGQZHXHPYGLOOZ-RBBKRZOGSA-N 0 0 343.426 3.593 10 0 EHAERN O=C(c1cc(N2CCCC2)ccn1)N1CC=C(c2ccccc2)CC1 ZINC000178129242 1031656647 /nfs/dbraw/zinc/65/66/47/1031656647.db2.gz PRYWJQGQZOTPKG-UHFFFAOYSA-N 0 0 333.435 3.611 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N3CCCC[C@H]3C(C)C)CC2)n1 ZINC000117498805 1031717131 /nfs/dbraw/zinc/71/71/31/1031717131.db2.gz KLBKXANTPLPRKH-SFHVURJKSA-N 0 0 344.503 3.579 10 0 EHAERN O=C(c1cc(F)cc2cccnc21)N1CCC[C@@H](c2nccs2)C1 ZINC000179442933 1031776209 /nfs/dbraw/zinc/77/62/09/1031776209.db2.gz FNCLHKUERROYSI-CYBMUJFWSA-N 0 0 341.411 3.850 10 0 EHAERN CC(C)CCOC1CCN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000117614350 1031780861 /nfs/dbraw/zinc/78/08/61/1031780861.db2.gz LQILHAOUWFVEPS-HNAYVOBHSA-N 0 0 331.456 3.605 10 0 EHAERN Cc1ccnc(-c2ccc(NC(=O)[C@H]3Oc4ccccc4[C@H]3C)cc2)n1 ZINC000117673242 1031792527 /nfs/dbraw/zinc/79/25/27/1031792527.db2.gz XPIWOVHZNNBUNH-KUHUBIRLSA-N 0 0 345.402 3.955 10 0 EHAERN CCO[C@H](C)c1nc(CN2CCO[C@H](c3ccc(C)o3)C2)cs1 ZINC000159079756 1031842693 /nfs/dbraw/zinc/84/26/93/1031842693.db2.gz PEPBVDLCZXFCGO-CJNGLKHVSA-N 0 0 336.457 3.716 10 0 EHAERN CCCCSCCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000180856208 1031916657 /nfs/dbraw/zinc/91/66/57/1031916657.db2.gz MNAOMHHNQPXCTM-UHFFFAOYSA-N 0 0 336.501 3.683 10 0 EHAERN Cn1cnc2cc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cnc21 ZINC000180910305 1031925202 /nfs/dbraw/zinc/92/52/02/1031925202.db2.gz ALSXPWGMYKPRGP-INIZCTEOSA-N 0 0 340.814 3.599 10 0 EHAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000332959347 1032015664 /nfs/dbraw/zinc/01/56/64/1032015664.db2.gz SWZAFNOHFQISSM-KYHPRHEASA-N 0 0 347.503 3.609 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)c3c(C)cc(C)nc3Cl)c2)no1 ZINC000181849537 1032041455 /nfs/dbraw/zinc/04/14/55/1032041455.db2.gz JXUOUSIXPDEVIN-UHFFFAOYSA-N 0 0 342.786 3.963 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccnc(C)c3)C2)cc1 ZINC000120146779 1033395604 /nfs/dbraw/zinc/39/56/04/1033395604.db2.gz LXPZLZGDOFDREH-HOCLYGCPSA-N 0 0 325.412 3.809 10 0 EHAERN CC[C@](C)(O)CNC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000105184286 1033402614 /nfs/dbraw/zinc/40/26/14/1033402614.db2.gz FGCZTQBZGVKTBI-IBGZPJMESA-N 0 0 348.393 3.514 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccncc1 ZINC000173499694 1033996295 /nfs/dbraw/zinc/99/62/95/1033996295.db2.gz JSZVEIYMVCQOEL-LSDHHAIUSA-N 0 0 330.457 3.578 10 0 EHAERN Cc1csc([C@@H]2CCCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C2)n1 ZINC000173585946 1034534389 /nfs/dbraw/zinc/53/43/89/1034534389.db2.gz WTKUZQDYNYIRTN-IUOOZAAYSA-N 0 0 346.496 3.553 10 0 EHAERN O=C(CCc1cccc2c1OCO2)N1CC=C(c2cccs2)CC1 ZINC000185936132 1035542923 /nfs/dbraw/zinc/54/29/23/1035542923.db2.gz BVOIVBKYILVTTR-UHFFFAOYSA-N 0 0 341.432 3.725 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185845880 1035545568 /nfs/dbraw/zinc/54/55/68/1035545568.db2.gz WSRVHHZUZOPWDP-IRXDYDNUSA-N 0 0 335.407 3.715 10 0 EHAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc2c(c1)OCCO2 ZINC000186056001 1035574718 /nfs/dbraw/zinc/57/47/18/1035574718.db2.gz XOQPIBLIBCCOIJ-OAHLLOKOSA-N 0 0 347.418 3.766 10 0 EHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCCCC3(C)C)ccc2NC1=O ZINC000186597448 1035666560 /nfs/dbraw/zinc/66/65/60/1035666560.db2.gz RYNSFTZKUHWBML-OAHLLOKOSA-N 0 0 330.432 3.754 10 0 EHAERN O=C(CCN1CCO[C@H](c2cccc(F)c2)C1)c1ccc(F)cc1F ZINC000186932409 1035725193 /nfs/dbraw/zinc/72/51/93/1035725193.db2.gz RYVDKXZTLYLYPD-IBGZPJMESA-N 0 0 349.352 3.750 10 0 EHAERN COc1cnccc1[C@@H](C)NCc1coc(-c2c(F)cccc2F)n1 ZINC000187026953 1035743413 /nfs/dbraw/zinc/74/34/13/1035743413.db2.gz SJACFSFNBKCANT-LLVKDONJSA-N 0 0 345.349 3.874 10 0 EHAERN CC(C)(C)c1cnc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)o1 ZINC000187095857 1035774329 /nfs/dbraw/zinc/77/43/29/1035774329.db2.gz OKATUYHOKQKLEV-CYBMUJFWSA-N 0 0 347.484 3.767 10 0 EHAERN COc1cnccc1[C@@H](C)NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000187203830 1035786945 /nfs/dbraw/zinc/78/69/45/1035786945.db2.gz NTDTWWXJLYMPKB-OAHLLOKOSA-N 0 0 337.423 3.650 10 0 EHAERN Cc1nc([C@@H](NC(=O)NCC(C)(C)C(C)C)c2ccccc2F)no1 ZINC000187323576 1035791968 /nfs/dbraw/zinc/79/19/68/1035791968.db2.gz BKAZMGYMBPAMHS-HNNXBMFYSA-N 0 0 348.422 3.588 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187956954 1035868262 /nfs/dbraw/zinc/86/82/62/1035868262.db2.gz RFASHJSZASQMGV-GLJUWKHASA-N 0 0 334.419 3.588 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188580731 1035950653 /nfs/dbraw/zinc/95/06/53/1035950653.db2.gz JBYLYZHZXCXWBH-KZULUSFZSA-N 0 0 338.382 3.544 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(Cc1ccccn1)C1CC1 ZINC000188622359 1035965693 /nfs/dbraw/zinc/96/56/93/1035965693.db2.gz MTQVABLSKVMPBQ-SFHVURJKSA-N 0 0 337.423 3.588 10 0 EHAERN CC(C)[C@H]1CCC[C@@H](NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000332712948 1036011523 /nfs/dbraw/zinc/01/15/23/1036011523.db2.gz OLZNDQVHOVZAQP-ZSYWTGECSA-N 0 0 345.487 3.816 10 0 EHAERN Cc1csc([C@@H]2COCCN2c2nc(C)nc3scc(C)c32)n1 ZINC000189133766 1036020508 /nfs/dbraw/zinc/02/05/08/1036020508.db2.gz VUHPKWOATFDIOP-LBPRGKRZSA-N 0 0 346.481 3.651 10 0 EHAERN CC[C@@H](NC(=O)NCc1ccccc1-n1cccn1)c1cccs1 ZINC000063358908 1036053096 /nfs/dbraw/zinc/05/30/96/1036053096.db2.gz HOTYKQCPSXGOJB-OAHLLOKOSA-N 0 0 340.452 3.884 10 0 EHAERN CC(C)c1nnc2n1CCN(CCC(Cl)(Cl)Cl)[C@@H]2C ZINC000189518396 1036081484 /nfs/dbraw/zinc/08/14/84/1036081484.db2.gz WDJZHJJORJDADW-SECBINFHSA-N 0 0 325.671 3.538 10 0 EHAERN FC(F)(F)c1ccc(N2CC3(CCOCC3)c3ccccc32)nn1 ZINC000189515925 1036082060 /nfs/dbraw/zinc/08/20/60/1036082060.db2.gz LZQUVSBELDRZTE-UHFFFAOYSA-N 0 0 335.329 3.695 10 0 EHAERN O=C(CCC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000189812974 1036150955 /nfs/dbraw/zinc/15/09/55/1036150955.db2.gz NJKBRKGKBYIVDQ-UHFFFAOYSA-N 0 0 349.430 3.745 10 0 EHAERN CCOc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189852976 1036156591 /nfs/dbraw/zinc/15/65/91/1036156591.db2.gz WTAPIAIVMYTBJS-UHFFFAOYSA-N 0 0 337.419 3.794 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C2C[C@H]3CCC[C@@H](C2)C3=O)n1 ZINC000190373011 1036231635 /nfs/dbraw/zinc/23/16/35/1036231635.db2.gz ITEIEJBHMNXPKJ-KWIXYNLZSA-N 0 0 332.444 3.851 10 0 EHAERN C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190379670 1036232050 /nfs/dbraw/zinc/23/20/50/1036232050.db2.gz DFIPGTPKWXABIV-OUKQBFOZSA-N 0 0 345.443 3.789 10 0 EHAERN O=C(c1c(F)cccc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190394853 1036234657 /nfs/dbraw/zinc/23/46/57/1036234657.db2.gz AXIJKENRSBVRSI-UHFFFAOYSA-N 0 0 339.823 3.652 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190446766 1036240409 /nfs/dbraw/zinc/24/04/09/1036240409.db2.gz PDGTVAWNXIMGGP-ZIAGYGMSSA-N 0 0 347.509 3.720 10 0 EHAERN O=C(NC1CCSCC1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190456460 1036243493 /nfs/dbraw/zinc/24/34/93/1036243493.db2.gz RMXMSEKKGAXYOD-LBPRGKRZSA-N 0 0 340.439 3.749 10 0 EHAERN Cc1cccnc1CNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190549607 1036256954 /nfs/dbraw/zinc/25/69/54/1036256954.db2.gz QDZBKJSXRNKFPX-AWEZNQCLSA-N 0 0 345.393 3.757 10 0 EHAERN COCCCN(C)C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000190644179 1036271643 /nfs/dbraw/zinc/27/16/43/1036271643.db2.gz QBCCGPNQTXZEKM-UHFFFAOYSA-N 0 0 347.434 3.575 10 0 EHAERN C[C@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)c1cccnc1 ZINC000191198180 1036345831 /nfs/dbraw/zinc/34/58/31/1036345831.db2.gz WYGMVLJNYVCNQO-ZFWWWQNUSA-N 0 0 330.378 3.870 10 0 EHAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000093129318 1036879236 /nfs/dbraw/zinc/87/92/36/1036879236.db2.gz IYQCGHNGZHNSGY-JTNHKYCSSA-N 0 0 330.881 3.823 10 0 EHAERN CC[C@H](CC(=O)NCc1cc(OC)c(O)c(OC)c1)c1ccccc1 ZINC000103521055 1036919687 /nfs/dbraw/zinc/91/96/87/1036919687.db2.gz ZZRZTKRLHXYOTE-OAHLLOKOSA-N 0 0 343.423 3.610 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(F)c(F)c(F)c1F ZINC000104458419 1037041536 /nfs/dbraw/zinc/04/15/36/1037041536.db2.gz SGXMLWPGMUKTJV-UHFFFAOYSA-N 0 0 341.304 3.566 10 0 EHAERN CC(C)C(=O)Nc1cccc(NCc2nc(-c3ccoc3)no2)c1 ZINC000105606562 1037202410 /nfs/dbraw/zinc/20/24/10/1037202410.db2.gz BRXYXSQAHVKDIR-UHFFFAOYSA-N 0 0 326.356 3.536 10 0 EHAERN COc1cccc(C[S@@](=O)Cc2csc(Br)c2)c1 ZINC000105676616 1037237442 /nfs/dbraw/zinc/23/74/42/1037237442.db2.gz YGTRTWAWLDBMBN-SFHVURJKSA-N 0 0 345.283 3.968 10 0 EHAERN C[C@@H](c1nnc(-c2ccccc2)o1)N(C)Cc1nccn1C(F)F ZINC000101726351 1037573801 /nfs/dbraw/zinc/57/38/01/1037573801.db2.gz PZEMIBDBCHCGMI-NSHDSACASA-N 0 0 333.342 3.521 10 0 EHAERN Cc1nnc([C@H](NC(=O)C[C@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000103281995 1037588980 /nfs/dbraw/zinc/58/89/80/1037588980.db2.gz VEQGDFXVZUPYTM-IFXJQAMLSA-N 0 0 334.423 3.513 10 0 EHAERN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1)c1nnc(-c2ccccc2)o1 ZINC000105542649 1037602233 /nfs/dbraw/zinc/60/22/33/1037602233.db2.gz JMPXLSUSRKGLIV-ZDUSSCGKSA-N 0 0 348.406 3.802 10 0 EHAERN O=C1NCCCC[C@@H]1SCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000105636687 1037602538 /nfs/dbraw/zinc/60/25/38/1037602538.db2.gz CCLMFWJIKXRDOZ-AWEZNQCLSA-N 0 0 338.379 3.522 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109096792 1037660066 /nfs/dbraw/zinc/66/00/66/1037660066.db2.gz GJMABLCOWHNTCK-UONOGXRCSA-N 0 0 341.317 3.757 10 0 EHAERN CCCc1ccccc1NC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000109381467 1037664677 /nfs/dbraw/zinc/66/46/77/1037664677.db2.gz RPASFOYFWPLCNC-GOSISDBHSA-N 0 0 349.438 3.977 10 0 EHAERN O=C(c1ccccc1O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113444189 1037784525 /nfs/dbraw/zinc/78/45/25/1037784525.db2.gz NSPLAUYACZIHLV-INIZCTEOSA-N 0 0 347.418 3.802 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113891540 1037790690 /nfs/dbraw/zinc/79/06/90/1037790690.db2.gz NZBOXGIYCVDVKX-CQSZACIVSA-N 0 0 344.465 3.962 10 0 EHAERN Cc1cccc(CCNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114827338 1037809974 /nfs/dbraw/zinc/80/99/74/1037809974.db2.gz JPKRBXVTDPAKRE-MRXNPFEDSA-N 0 0 329.469 3.583 10 0 EHAERN COCCOc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)c1 ZINC000117620509 1037857181 /nfs/dbraw/zinc/85/71/81/1037857181.db2.gz LXQXIVQUHNHVPU-KUHUBIRLSA-N 0 0 341.407 3.523 10 0 EHAERN C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118065154 1037866619 /nfs/dbraw/zinc/86/66/19/1037866619.db2.gz BFNXQIZMONOIKQ-CQSZACIVSA-N 0 0 342.464 3.884 10 0 EHAERN CC(=O)c1ccc(OCCC(=O)Nc2c[nH]nc2-c2ccccc2)cc1 ZINC000179704705 1037898147 /nfs/dbraw/zinc/89/81/47/1037898147.db2.gz GLROGCNUDAZMCF-UHFFFAOYSA-N 0 0 349.390 3.687 10 0 EHAERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000119872076 1037913893 /nfs/dbraw/zinc/91/38/93/1037913893.db2.gz KQNGFRMGYPLJHX-CQSZACIVSA-N 0 0 339.439 3.894 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C)c1C)CCC2 ZINC000332718601 1037950675 /nfs/dbraw/zinc/95/06/75/1037950675.db2.gz VMUGZZSXAVNKFO-DLBZAZTESA-N 0 0 340.471 3.746 10 0 EHAERN CC[C@@H](NC(=O)NC[C@@H]1CCCn2cc(C)nc21)c1ccc(C)cc1 ZINC000332691572 1037950831 /nfs/dbraw/zinc/95/08/31/1037950831.db2.gz SYDRGSJYTWFJFR-ZWKOTPCHSA-N 0 0 340.471 3.828 10 0 EHAERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H](C)c1cccs1 ZINC000332769798 1037953424 /nfs/dbraw/zinc/95/34/24/1037953424.db2.gz HEJCJPLBOARCFW-PWSUYJOCSA-N 0 0 336.482 3.898 10 0 EHAERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000332968923 1037965330 /nfs/dbraw/zinc/96/53/30/1037965330.db2.gz IZDFFWQKIVJVTH-VNHYZAJKSA-N 0 0 349.356 3.726 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC[C@H]2CCO[C@H](C)C2)cs1 ZINC000332983980 1037968222 /nfs/dbraw/zinc/96/82/22/1037968222.db2.gz SFNNKRBDFWFHOC-INWMFGNUSA-N 0 0 337.489 3.503 10 0 EHAERN Fc1ccccc1-c1nc(CN2CCCC[C@@H]2c2nc[nH]n2)cs1 ZINC000121842479 1037971310 /nfs/dbraw/zinc/97/13/10/1037971310.db2.gz VGSUSAVVBLRKFH-OAHLLOKOSA-N 0 0 343.431 3.795 10 0 EHAERN CC[C@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000117441263 1038950424 /nfs/dbraw/zinc/95/04/24/1038950424.db2.gz PSWOLKAJCUJQII-INIZCTEOSA-N 0 0 343.471 3.967 10 0 EHAERN CC(=O)NC1(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CCCCC1 ZINC000125051958 1039132360 /nfs/dbraw/zinc/13/23/60/1039132360.db2.gz BXBVCNALEIIKIO-KSSFIOAISA-N 0 0 328.456 3.580 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)c1cccs1 ZINC000171350261 1040127039 /nfs/dbraw/zinc/12/70/39/1040127039.db2.gz RLXAEFVCVIBUMT-KBPBESRZSA-N 0 0 348.472 3.555 10 0 EHAERN CCc1ccc2nc(NC(=O)COc3ccccc3OC)sc2c1 ZINC000003528676 1040174835 /nfs/dbraw/zinc/17/48/35/1040174835.db2.gz KBVSCLKSNZFQJD-UHFFFAOYSA-N 0 0 342.420 3.885 10 0 EHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@H](O)C23CCCC3)cc1 ZINC000332988150 1040754616 /nfs/dbraw/zinc/75/46/16/1040754616.db2.gz CDCDIJLBZSFQMR-QAPCUYQASA-N 0 0 330.472 3.960 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)CCO1 ZINC000120770843 1041160112 /nfs/dbraw/zinc/16/01/12/1041160112.db2.gz ZADVUMNXAAJVEU-NVXWUHKLSA-N 0 0 330.472 3.957 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)[C@H]2CCCC[C@@H]12 ZINC000408175092 1042121308 /nfs/dbraw/zinc/12/13/08/1042121308.db2.gz POESKGXRQSZUIV-INWMFGNUSA-N 0 0 342.443 3.936 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)no1 ZINC000408216993 1042647949 /nfs/dbraw/zinc/64/79/49/1042647949.db2.gz XTLUNBOAKLIXBM-YJNKXOJESA-N 0 0 334.464 3.864 10 0 EHAERN CCOc1ccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162641223 1042744271 /nfs/dbraw/zinc/74/42/71/1042744271.db2.gz QQBWRGWKWMAWEQ-KUHUBIRLSA-N 0 0 336.439 3.952 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H](O)[C@@H](C)c2ccc(C)cc2)cs1 ZINC000330327266 1042901471 /nfs/dbraw/zinc/90/14/71/1042901471.db2.gz VKSFPNPZKLUARA-KKXDTOCCSA-N 0 0 344.480 3.588 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000408283002 1042957061 /nfs/dbraw/zinc/95/70/61/1042957061.db2.gz DRAUQNQMVWXHIF-QRWLVFNGSA-N 0 0 332.488 3.992 10 0 EHAERN CCC1(CC)CCC(NC(=O)N2CCC[C@@H]2c2noc(C)n2)CC1 ZINC000408297521 1042990990 /nfs/dbraw/zinc/99/09/90/1042990990.db2.gz ILTUTXBOVGHKGZ-OAHLLOKOSA-N 0 0 334.464 3.974 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCc3c2cnn3C)c2ccccc21 ZINC000269854718 1128795919 /nfs/dbraw/zinc/79/59/19/1128795919.db2.gz UVLFYRFLGOJMPL-BVGQSLNGSA-N 0 0 338.455 3.735 10 0 EHAERN CC(=O)N(CCC(=O)Oc1cc(C)cc(C)c1)Cc1ccccc1 ZINC000101807162 1135398451 /nfs/dbraw/zinc/39/84/51/1135398451.db2.gz OPRIBEDPDSRKTQ-UHFFFAOYSA-N 0 0 325.408 3.648 10 0 EHAERN Cc1ccc(OCCCNC(=O)N(C)Cc2ccc(Cl)nc2)cc1 ZINC000102025619 1135439892 /nfs/dbraw/zinc/43/98/92/1135439892.db2.gz DLRQXPKLAIORTF-UHFFFAOYSA-N 0 0 347.846 3.654 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CC3CCCC3)C2)o1 ZINC000102142108 1135465208 /nfs/dbraw/zinc/46/52/08/1135465208.db2.gz HVKHIBDYBONHSJ-INIZCTEOSA-N 0 0 333.428 3.564 10 0 EHAERN CC[C@@H](COC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 ZINC000105775608 1135976242 /nfs/dbraw/zinc/97/62/42/1135976242.db2.gz CTLOSILPQDDPDW-INIZCTEOSA-N 0 0 346.448 3.582 10 0 EHAERN CC[C@@H](COC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1 ZINC000105775144 1135976362 /nfs/dbraw/zinc/97/63/62/1135976362.db2.gz XPPXYTBJFWEZBG-AWEZNQCLSA-N 0 0 340.379 3.999 10 0 EHAERN CCCCOc1ccccc1COC(=O)Cc1c(C)nn(C)c1C ZINC000103675272 1137471098 /nfs/dbraw/zinc/47/10/98/1137471098.db2.gz UASDHELCJGTRMA-UHFFFAOYSA-N 0 0 330.428 3.502 10 0 EHAERN CCc1nc(CCNC(=O)Nc2ccc3oc(C)nc3c2)cs1 ZINC000102575309 1137873400 /nfs/dbraw/zinc/87/34/00/1137873400.db2.gz WNJHDOWWOLIXAR-UHFFFAOYSA-N 0 0 330.413 3.519 10 0 EHAERN CC(C)c1noc(-c2ccc(NC(=O)N3C[C@H]4CCC[C@H]43)cc2)n1 ZINC000333100726 1137955325 /nfs/dbraw/zinc/95/53/25/1137955325.db2.gz FQYGVEYDQALIFE-UKRRQHHQSA-N 0 0 326.400 3.876 10 0 EHAERN CC1(C)CCc2sc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)nc21 ZINC000333506974 1138298273 /nfs/dbraw/zinc/29/82/73/1138298273.db2.gz IMVWOSJJDUZXNG-LBPRGKRZSA-N 0 0 345.472 3.849 10 0 EHAERN O=C(Nc1ccc2c(n1)CCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000333730447 1138326297 /nfs/dbraw/zinc/32/62/97/1138326297.db2.gz WMDDOJHUYKPAJK-KRWDZBQOSA-N 0 0 347.422 3.816 10 0 EHAERN O=C1NCCc2c(N[C@H]3CC4(CCC4)Oc4ccccc43)cccc21 ZINC000333939629 1138350755 /nfs/dbraw/zinc/35/07/55/1138350755.db2.gz NIMZCFOQVSWAJM-SFHVURJKSA-N 0 0 334.419 3.831 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000186901096 1140227332 /nfs/dbraw/zinc/22/73/32/1140227332.db2.gz BKZONBHFQHIVEH-ZDUSSCGKSA-N 0 0 331.397 3.549 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)nc2)cs1 ZINC000187126035 1140240215 /nfs/dbraw/zinc/24/02/15/1140240215.db2.gz BGDNWRYADNNALS-DYLGSBMWSA-N 0 0 333.844 3.877 10 0 EHAERN O=C(CCCCCc1ccc(F)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000187474301 1140256455 /nfs/dbraw/zinc/25/64/55/1140256455.db2.gz BDRXWRJXEWWBNO-QGZVFWFLSA-N 0 0 344.434 3.801 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2ccc(F)cc2)cs1 ZINC000189383011 1140339519 /nfs/dbraw/zinc/33/95/19/1140339519.db2.gz OJGBUXXDMUKEBV-INIZCTEOSA-N 0 0 333.432 3.680 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)N(C)Cc2ccccc2C)cs1 ZINC000189806536 1140364083 /nfs/dbraw/zinc/36/40/83/1140364083.db2.gz YCUHQLVSLABSOZ-SFHVURJKSA-N 0 0 343.496 3.555 10 0 EHAERN CC1(C)C[C@@H](NC(=O)[C@@H]2CCCc3cccnc32)c2ccccc2O1 ZINC000194698557 1140619408 /nfs/dbraw/zinc/61/94/08/1140619408.db2.gz MJZXYYVZGOGZQL-IAGOWNOFSA-N 0 0 336.435 3.920 10 0 EHAERN Cc1ccc(Br)cc1NC(=O)c1cnc(N)c(Cl)c1 ZINC000050704211 214067156 /nfs/dbraw/zinc/06/71/56/214067156.db2.gz SKJKJUULYLBDJR-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN Nc1ccc([C@@H](O)COc2ccc(Br)cc2Cl)cc1 ZINC000051325218 214089210 /nfs/dbraw/zinc/08/92/10/214089210.db2.gz WTZYJOZYNOVFOR-ZDUSSCGKSA-N 0 0 342.620 3.797 10 0 EHAERN Cc1ncsc1CCOc1ccc(Br)cc1[C@H](C)O ZINC000052068289 214114855 /nfs/dbraw/zinc/11/48/55/214114855.db2.gz LKBBOTXGKLWJSS-JTQLQIEISA-N 0 0 342.258 3.889 10 0 EHAERN COc1cccc(CNc2ccc(I)cc2)c1 ZINC000020360973 212122040 /nfs/dbraw/zinc/12/20/40/212122040.db2.gz BZBUZXMMGJURDQ-UHFFFAOYSA-N 0 0 339.176 3.912 10 0 EHAERN O=S(=O)(c1cc2ccccc2[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000097757750 219054553 /nfs/dbraw/zinc/05/45/53/219054553.db2.gz QNFKOJDPNPIWSQ-UHFFFAOYSA-N 0 0 341.310 3.899 10 0 EHAERN COCc1cc(Cl)nc(Cc2ccccc2Br)n1 ZINC000055334784 214309298 /nfs/dbraw/zinc/30/92/98/214309298.db2.gz NPNKYJOPHGLVEL-UHFFFAOYSA-N 0 0 327.609 3.630 10 0 EHAERN COC(=O)c1nc2cc(Br)ccc2cc1Br ZINC000098179634 219086871 /nfs/dbraw/zinc/08/68/71/219086871.db2.gz FOODNZGYUPHWJS-UHFFFAOYSA-N 0 0 344.990 3.546 10 0 EHAERN Cc1oc(-c2ccc(C)c(C)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000049453261 214007815 /nfs/dbraw/zinc/00/78/15/214007815.db2.gz ZQHRBMUYHZPNNI-MRXNPFEDSA-N 0 0 328.412 3.563 10 0 EHAERN Clc1ccccc1-c1nc2c(Br)c(Cl)ncn2n1 ZINC000066054874 215004213 /nfs/dbraw/zinc/00/42/13/215004213.db2.gz WXIGFOWNEAASSR-UHFFFAOYSA-N 0 0 343.999 3.861 10 0 EHAERN Cc1ccccc1NC(=O)CN1c2ccccc2N=C2CCC[C@@H]2C1=O ZINC000101947387 219174684 /nfs/dbraw/zinc/17/46/84/219174684.db2.gz SSYZRSODVOKUDF-HNNXBMFYSA-N 0 0 347.418 3.853 10 0 EHAERN Cc1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000003814600 210077573 /nfs/dbraw/zinc/07/75/73/210077573.db2.gz RIZFWOPNUQFLEF-UHFFFAOYSA-N 0 0 346.839 3.905 10 0 EHAERN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cc(Br)ccc1Cl ZINC000103738103 219321778 /nfs/dbraw/zinc/32/17/78/219321778.db2.gz CPKYJGVPAJXCRS-AOOOYVTPSA-N 0 0 342.620 3.782 10 0 EHAERN Cc1cccc(N)c1C(=O)OCc1sccc1Br ZINC000103982000 219334710 /nfs/dbraw/zinc/33/47/10/219334710.db2.gz QXTQJVMBMIJSKY-UHFFFAOYSA-N 0 0 326.215 3.758 10 0 EHAERN Cc1c(-c2ccccc2)nc2sc3cc(S(C)(=O)=O)ccc3n12 ZINC000040964700 213404410 /nfs/dbraw/zinc/40/44/10/213404410.db2.gz DOILCDDSVIEIOL-UHFFFAOYSA-N 0 0 342.445 3.928 10 0 EHAERN Cc1nc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)sc1C ZINC000040779380 213385920 /nfs/dbraw/zinc/38/59/20/213385920.db2.gz UBEXDLHTLFBTNF-UHFFFAOYSA-N 0 0 347.835 3.668 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1N ZINC000040781603 213385707 /nfs/dbraw/zinc/38/57/07/213385707.db2.gz VFILMBTUWMOPPA-UHFFFAOYSA-N 0 0 342.790 3.603 10 0 EHAERN Nc1c(Nc2ccc(Cl)cc2)[nH]cnc1=NNc1ccccc1 ZINC000040757460 213383114 /nfs/dbraw/zinc/38/31/14/213383114.db2.gz HQFHCPKEXHTLPO-UHFFFAOYSA-N 0 0 326.791 3.895 10 0 EHAERN Brc1ccc(Nc2ncc(Br)cn2)cc1 ZINC000104381744 219382171 /nfs/dbraw/zinc/38/21/71/219382171.db2.gz CFFLDAXCGAYHGA-UHFFFAOYSA-N 0 0 328.995 3.745 10 0 EHAERN COc1ccc(C)cc1Nc1ncnc(OC2CCCCC2)c1N ZINC000040684538 213369167 /nfs/dbraw/zinc/36/91/67/213369167.db2.gz DIMSAKTXXBEZFB-UHFFFAOYSA-N 0 0 328.416 3.831 10 0 EHAERN CCNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682393 213368216 /nfs/dbraw/zinc/36/82/16/213368216.db2.gz JKVABOUASMGVJK-UHFFFAOYSA-N 0 0 331.729 3.906 10 0 EHAERN Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1 ZINC000040320471 213291190 /nfs/dbraw/zinc/29/11/90/213291190.db2.gz BGJXZCXJQNFVIQ-UHFFFAOYSA-N 0 0 341.388 3.673 10 0 EHAERN CC(C)(C)NC(=O)Cn1c(CCc2ccccc2)nc2ccccc21 ZINC000040300674 213289684 /nfs/dbraw/zinc/28/96/84/213289684.db2.gz KAKOANKDNQVJIY-UHFFFAOYSA-N 0 0 335.451 3.736 10 0 EHAERN COc1ccc([C@@H](O)c2ccc(Br)s2)c(OC)c1 ZINC000040248114 213284770 /nfs/dbraw/zinc/28/47/70/213284770.db2.gz DQPMRMLWCXTMNC-CYBMUJFWSA-N 0 0 329.215 3.610 10 0 EHAERN O=C(Cn1ccc(=O)c2cccc(F)c21)Nc1cccc2ccccc21 ZINC000039963384 213247195 /nfs/dbraw/zinc/24/71/95/213247195.db2.gz QAARTTHFJRVKSP-UHFFFAOYSA-N 0 0 346.361 3.933 10 0 EHAERN Cc1ccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)cc1 ZINC000039962925 213245708 /nfs/dbraw/zinc/24/57/08/213245708.db2.gz NVRNUHVKBYJTRQ-UHFFFAOYSA-N 0 0 326.783 3.753 10 0 EHAERN CC(=O)c1nc2ccccc2n1C(=O)c1cccc(Br)c1 ZINC000039766851 213242054 /nfs/dbraw/zinc/24/20/54/213242054.db2.gz IVFUJOQIJIZULK-UHFFFAOYSA-N 0 0 343.180 3.690 10 0 EHAERN CCOC(=O)[C@](C)(N[C@@H](C)CC)c1ccc(Br)cc1 ZINC000038067783 213199593 /nfs/dbraw/zinc/19/95/93/213199593.db2.gz SZKHHVBOASKEAJ-XHDPSFHLSA-N 0 0 328.250 3.616 10 0 EHAERN CCOC(=O)[C@H](N[C@H](C)CC)c1cc(Br)ccc1F ZINC000038067594 213199127 /nfs/dbraw/zinc/19/91/27/213199127.db2.gz KDLJAZRDHPTYFK-NOZJJQNGSA-N 0 0 332.213 3.581 10 0 EHAERN CCOC(=O)[C@@H](NCC(F)(F)F)c1c(Cl)cccc1Cl ZINC000037973821 213178723 /nfs/dbraw/zinc/17/87/23/213178723.db2.gz UQTYVBQNVROHEE-JTQLQIEISA-N 0 0 330.133 3.750 10 0 EHAERN NC(=O)[C@H](Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000037944053 213175380 /nfs/dbraw/zinc/17/53/80/213175380.db2.gz ZXMNDDIZNMSIIN-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN CCC1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1 ZINC000037845970 213170360 /nfs/dbraw/zinc/17/03/60/213170360.db2.gz JFHQLFVMXQEDMU-UHFFFAOYSA-N 0 0 325.250 3.848 10 0 EHAERN CC1(c2ccccc2)CC(c2csc(N3C(=N)SCC3=O)n2)C1 ZINC000036452903 213099193 /nfs/dbraw/zinc/09/91/93/213099193.db2.gz HFHMKTNTCUCPLT-UHFFFAOYSA-N 0 0 343.477 3.993 10 0 EHAERN O=C(c1ccco1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399398 213026106 /nfs/dbraw/zinc/02/61/06/213026106.db2.gz FCAMZJAHACYLAI-UHFFFAOYSA-N 0 0 333.391 3.627 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)[C@@H](O)C1 ZINC000035571606 213039175 /nfs/dbraw/zinc/03/91/75/213039175.db2.gz MDKOHRRCHDLIDT-KGLIPLIRSA-N 0 0 345.361 3.791 10 0 EHAERN OCCc1ccccc1-n1ccnc1-c1coc(-c2ccccc2)n1 ZINC000072151240 216039203 /nfs/dbraw/zinc/03/92/03/216039203.db2.gz KBOXXELESZBCSS-UHFFFAOYSA-N 0 0 331.375 3.729 10 0 EHAERN COc1ccc(NC(=O)C[C@@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000028826647 212639119 /nfs/dbraw/zinc/63/91/19/212639119.db2.gz GMFDBTZPFYIQBU-AWEZNQCLSA-N 0 0 341.407 3.771 10 0 EHAERN COc1ccccc1NC(=O)C[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000028826645 212638816 /nfs/dbraw/zinc/63/88/16/212638816.db2.gz PFPHLYIZDUGAJY-AWEZNQCLSA-N 0 0 341.407 3.771 10 0 EHAERN Cc1nn(-c2ccccc2)cc1-c1ccnc(N2CCC(C)CC2)n1 ZINC000072461875 216243809 /nfs/dbraw/zinc/24/38/09/216243809.db2.gz JMDNVTLOAYMLAV-UHFFFAOYSA-N 0 0 333.439 3.874 10 0 EHAERN CCOC(=O)[C@@H](CCSC)Nc1cccc(Br)c1 ZINC000037961020 213175996 /nfs/dbraw/zinc/17/59/96/213175996.db2.gz BIZZSFKRARKDIW-GFCCVEGCSA-N 0 0 332.263 3.546 10 0 EHAERN Cc1cc(CCCCCOc2ccc(C3=NCCO3)c(C)c2)on1 ZINC000027303737 212552744 /nfs/dbraw/zinc/55/27/44/212552744.db2.gz FGPKIAZDSBSXGE-UHFFFAOYSA-N 0 0 328.412 3.860 10 0 EHAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000022624024 212312667 /nfs/dbraw/zinc/31/26/67/212312667.db2.gz JXOOMXUYIWAITK-PXAZEXFGSA-N 0 0 346.377 3.748 10 0 EHAERN Cc1c(N)cccc1NC(=O)CCOc1ccc(Br)cc1 ZINC000022222900 212282582 /nfs/dbraw/zinc/28/25/82/212282582.db2.gz CCQGEAQPHIPGHW-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN O=C(c1ccccc1OCC1CC1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253623475 244038875 /nfs/dbraw/zinc/03/88/75/244038875.db2.gz VTYVZXSWIIEILY-BHIYHBOVSA-N 0 0 343.467 3.631 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)CC2=O)c1 ZINC000020374082 212123217 /nfs/dbraw/zinc/12/32/17/212123217.db2.gz KQHNVJJZUGJMPH-WMZOPIPTSA-N 0 0 348.446 3.634 10 0 EHAERN CCN(CCO)c1nc(C)nc2sc(C)c(-c3ccc(F)cc3)c21 ZINC000020320479 212118667 /nfs/dbraw/zinc/11/86/67/212118667.db2.gz XFKLEWLLIAMHOK-UHFFFAOYSA-N 0 0 345.443 3.933 10 0 EHAERN Cc1sc2nc(C)nc(N(C)CCO)c2c1-c1ccc(F)cc1 ZINC000020318729 212118679 /nfs/dbraw/zinc/11/86/79/212118679.db2.gz RFKKVNCZGBFFGI-UHFFFAOYSA-N 0 0 331.416 3.543 10 0 EHAERN Cc1cc(Br)cc(C)c1NCc1ccc(C(N)=O)cc1 ZINC000020071161 212099715 /nfs/dbraw/zinc/09/97/15/212099715.db2.gz ZPGADCCALCTEOM-UHFFFAOYSA-N 0 0 333.229 3.777 10 0 EHAERN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(N)c2)c(Br)c1 ZINC000020077799 212099513 /nfs/dbraw/zinc/09/95/13/212099513.db2.gz MEYYQTYUTZRXOJ-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN COc1cc(Br)c([C@@H](O)c2cccs2)cc1OC ZINC000040256236 213284952 /nfs/dbraw/zinc/28/49/52/213284952.db2.gz LATZGFDKBAEGDB-CYBMUJFWSA-N 0 0 329.215 3.610 10 0 EHAERN Cc1cc(Br)ccc1NC(=O)c1cccc(C(N)=S)c1 ZINC000019507483 212034629 /nfs/dbraw/zinc/03/46/29/212034629.db2.gz MAFWLVDUYBQZJU-UHFFFAOYSA-N 0 0 349.253 3.644 10 0 EHAERN NC(=S)c1ccc(OCc2ccc(Br)s2)cc1 ZINC000019438796 212028797 /nfs/dbraw/zinc/02/87/97/212028797.db2.gz IUNRIVJEBNXFCU-UHFFFAOYSA-N 0 0 328.256 3.724 10 0 EHAERN CC(C)c1nc(CSc2ccc(Br)cc2N)no1 ZINC000049336407 214001536 /nfs/dbraw/zinc/00/15/36/214001536.db2.gz DBBFJCJLNLOZGG-UHFFFAOYSA-N 0 0 328.235 3.830 10 0 EHAERN CC[C@@]1(c2ccccc2)NC(=O)N(c2ccc(Br)cc2)N1 ZINC000015867905 211866307 /nfs/dbraw/zinc/86/63/07/211866307.db2.gz GVWIJHXLXXHMOV-MRXNPFEDSA-N 0 0 346.228 3.746 10 0 EHAERN Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccccc2F)o1 ZINC000015784730 211852575 /nfs/dbraw/zinc/85/25/75/211852575.db2.gz OZVMSOHJBFXPQZ-UHFFFAOYSA-N 0 0 328.343 3.544 10 0 EHAERN CCOC(=O)c1[nH]c2ccccc2c1NC(=S)N1CCC[C@H](C)C1 ZINC000085345018 217660538 /nfs/dbraw/zinc/66/05/38/217660538.db2.gz DIIKMVLGAMUDJQ-LBPRGKRZSA-N 0 0 345.468 3.773 10 0 EHAERN CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)OCc1ccccc1 ZINC000012506017 211394326 /nfs/dbraw/zinc/39/43/26/211394326.db2.gz KZZMJOKJLCEOBW-HNNXBMFYSA-N 0 0 331.412 3.519 10 0 EHAERN C[C@H](C(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000011991066 211276420 /nfs/dbraw/zinc/27/64/20/211276420.db2.gz PGTLOCGIFVVBRY-GFCCVEGCSA-N 0 0 338.432 3.781 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](COCc2ccc(Cl)nc2)C1 ZINC000095084154 218275737 /nfs/dbraw/zinc/27/57/37/218275737.db2.gz ZVZKOAAOUCESFH-CYBMUJFWSA-N 0 0 326.824 3.509 10 0 EHAERN Cc1ccnc(OCCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090551 218280333 /nfs/dbraw/zinc/28/03/33/218280333.db2.gz OJDQMBDLEKPHSP-OAHLLOKOSA-N 0 0 335.448 3.591 10 0 EHAERN COc1ccc2c(c1)OC(C)(C)C[C@H]2Nc1ncc(C(C)=O)c(C)n1 ZINC000095368162 218299870 /nfs/dbraw/zinc/29/98/70/218299870.db2.gz LTOMWNXOVRXOBP-MRXNPFEDSA-N 0 0 341.411 3.711 10 0 EHAERN CNc1nc(NC(C)C)nc(Sc2ncc(Cl)cc2Cl)n1 ZINC000006827965 210723857 /nfs/dbraw/zinc/72/38/57/210723857.db2.gz WJFXXGPIWLFTMG-UHFFFAOYSA-N 0 0 345.259 3.587 10 0 EHAERN CC(=O)[C@H]1C[C@@H](C)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@@H](O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000118913371 221202066 /nfs/dbraw/zinc/20/20/66/221202066.db2.gz BUDKLYQSLDHSFY-PCPSPDRASA-N 0 0 346.511 3.973 10 0 EHAERN O=C1CCN(c2cc(-c3ccncc3)nc(-c3ccccc3F)n2)CC1 ZINC000070452042 135617766 /nfs/dbraw/zinc/61/77/66/135617766.db2.gz LSLMZXFEYDYTDM-UHFFFAOYSA-N 0 0 348.381 3.514 10 0 EHAERN CCC[C@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116544658 521132248 /nfs/dbraw/zinc/13/22/48/521132248.db2.gz ZVZHVBOMBBAOEG-AEFFLSMTSA-N 0 0 332.492 3.668 10 0 EHAERN CC(=O)N1CCc2c(c(-c3ccc(C)cc3)nn2Cc2ccccc2)C1 ZINC000211646073 534817965 /nfs/dbraw/zinc/81/79/65/534817965.db2.gz WHCXTRQQUVZTMY-UHFFFAOYSA-N 0 0 345.446 3.811 10 0 EHAERN CC(C)(C)OC(=O)N1CC=C(c2cnc(N)c(C(F)(F)F)c2)CC1 ZINC000584880492 563878867 /nfs/dbraw/zinc/87/88/67/563878867.db2.gz DQGVBPZCWGMTGJ-UHFFFAOYSA-N 0 0 343.349 3.707 10 0 EHAERN FC(F)(F)c1c(Cl)nc(N2CCOCC2)c(Cl)c1Cl ZINC000025173883 563881912 /nfs/dbraw/zinc/88/19/12/563881912.db2.gz UOBYXYJZFRMTNQ-UHFFFAOYSA-N 0 0 335.540 3.897 10 0 EHAERN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)OCC(F)(F)F ZINC000071790914 563965854 /nfs/dbraw/zinc/96/58/54/563965854.db2.gz QQBQASXVBJEZEH-UHFFFAOYSA-N 0 0 327.306 3.908 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(Br)cn2)C1 ZINC000238131644 564051506 /nfs/dbraw/zinc/05/15/06/564051506.db2.gz IKDCHXFQDHVHOK-JTQLQIEISA-N 0 0 327.222 3.569 10 0 EHAERN CCc1ccc(N2CC[C@@H](C(=O)NC3CCCCCCC3)C2=O)cc1 ZINC000015864814 564077179 /nfs/dbraw/zinc/07/71/79/564077179.db2.gz GUXYZGIXRWLMQC-IBGZPJMESA-N 0 0 342.483 3.831 10 0 EHAERN O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(F)cc1 ZINC000065226138 564103089 /nfs/dbraw/zinc/10/30/89/564103089.db2.gz PMHTZKNOLYBYPY-FQEVSTJZSA-N 0 0 327.399 3.694 10 0 EHAERN Cc1cc(C)c(C2=N[C@@H](C(C)C)CO2)cc1C1=N[C@@H](C(C)C)CO1 ZINC000096029563 564128687 /nfs/dbraw/zinc/12/86/87/564128687.db2.gz WRIRILQZUGPIMT-QZTJIDSGSA-N 0 0 328.456 3.906 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1noc3c1CCCC3)CCCC2 ZINC000328627419 564137047 /nfs/dbraw/zinc/13/70/47/564137047.db2.gz GBYLPWKVQVSYIF-SFHVURJKSA-N 0 0 340.471 3.503 10 0 EHAERN O=C(c1ccccc1F)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000278353189 564138310 /nfs/dbraw/zinc/13/83/10/564138310.db2.gz GQLGLKVTJCVPSJ-JTQLQIEISA-N 0 0 341.308 3.587 10 0 EHAERN CCc1[nH]nc(-c2ccsc2)c1NC(=O)COc1ccccc1 ZINC000034796535 564177539 /nfs/dbraw/zinc/17/75/39/564177539.db2.gz QMWSMQURKQLUEK-UHFFFAOYSA-N 0 0 327.409 3.718 10 0 EHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H](C)c1ccncc1 ZINC000182361847 1032091182 /nfs/dbraw/zinc/09/11/82/1032091182.db2.gz KXYDINCVDIEWHR-SUMWQHHRSA-N 0 0 341.459 3.809 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(C)(C)C ZINC000182580726 1032110690 /nfs/dbraw/zinc/11/06/90/1032110690.db2.gz SLVTYMWRSIYNOJ-NWDGAFQWSA-N 0 0 346.397 3.683 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCCO[C@H]3CC(C)C)nc21 ZINC000187490778 1015261918 /nfs/dbraw/zinc/26/19/18/1015261918.db2.gz AXAGWBOPPMWDEY-WBVHZDCISA-N 0 0 343.471 3.514 10 0 EHAERN C[C@@H]1CC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C[C@@H](C)C1 ZINC000182661797 1032118413 /nfs/dbraw/zinc/11/84/13/1032118413.db2.gz ZTFYJEFMCBFCKK-IRXDYDNUSA-N 0 0 348.531 3.700 10 0 EHAERN Cc1cc([C@H]2CCCN(c3ncnc4sc(C)c(C)c43)C2)n[nH]1 ZINC000407978186 1016669312 /nfs/dbraw/zinc/66/93/12/1016669312.db2.gz XHSZDFJKTFABOI-ZDUSSCGKSA-N 0 0 327.457 3.724 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178579701 1016726980 /nfs/dbraw/zinc/72/69/80/1016726980.db2.gz LIUFLASUSNIMJH-XVSDVWIESA-N 0 0 348.874 3.664 10 0 EHAERN C[C@@H]1CCc2nc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)sc2C1 ZINC000407993669 1016778456 /nfs/dbraw/zinc/77/84/56/1016778456.db2.gz QUNWUMKRLMAAIF-YPMHNXCESA-N 0 0 345.472 3.750 10 0 EHAERN c1coc([C@H](NCc2cccnc2-n2ccnc2)c2ccccc2)c1 ZINC000183344485 1032163390 /nfs/dbraw/zinc/16/33/90/1032163390.db2.gz GPPBSDCFNKNBGF-LJQANCHMSA-N 0 0 330.391 3.740 10 0 EHAERN C[C@@H]1CCCC[C@H]1OCc1noc(-c2cccc3c2OCCO3)n1 ZINC000329766881 1032168274 /nfs/dbraw/zinc/16/82/74/1032168274.db2.gz YRXXYTHWEVMVGV-TZMCWYRMSA-N 0 0 330.384 3.603 10 0 EHAERN COCC[C@@H](Cc1cccc(F)c1)Nc1cccc2c1OCC[C@H]2O ZINC000184571983 1032297281 /nfs/dbraw/zinc/29/72/81/1032297281.db2.gz OCNMUNUEMCOYGG-QFBILLFUSA-N 0 0 345.414 3.701 10 0 EHAERN CSc1cccc(C)c1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000184597137 1032301948 /nfs/dbraw/zinc/30/19/48/1032301948.db2.gz VHGJGNJWBIFXEJ-ZDUSSCGKSA-N 0 0 326.421 3.781 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)Nc1cccc2c1OCC[C@@H]2O ZINC000185356944 1032384136 /nfs/dbraw/zinc/38/41/36/1032384136.db2.gz PSPUWLQERHAZCE-BBVFFXRHSA-N 0 0 346.386 3.703 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185521352 1032438393 /nfs/dbraw/zinc/43/83/93/1032438393.db2.gz XFILDWPEDXOIKS-LIRRHRJNSA-N 0 0 348.462 3.808 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(C)cc3)C2)c1 ZINC000081639195 1032615701 /nfs/dbraw/zinc/61/57/01/1032615701.db2.gz ZDFZZHKDNKZTAI-MRXNPFEDSA-N 0 0 325.408 3.642 10 0 EHAERN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1noc2c1CCCC2 ZINC000330085707 1017628746 /nfs/dbraw/zinc/62/87/46/1017628746.db2.gz DADMZORTGSNYQQ-PWSUYJOCSA-N 0 0 330.350 3.652 10 0 EHAERN CC(C)c1ncsc1NC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000333207223 1018848972 /nfs/dbraw/zinc/84/89/72/1018848972.db2.gz SMKQVXMODVMYAQ-GFCCVEGCSA-N 0 0 333.461 3.615 10 0 EHAERN Cc1ncc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C2CC2)n1 ZINC000333374535 1019426404 /nfs/dbraw/zinc/42/64/04/1019426404.db2.gz ZSBGXMOPGAVQRO-NEPJUHHUSA-N 0 0 342.365 3.905 10 0 EHAERN Cc1cccc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000141090072 1019511044 /nfs/dbraw/zinc/51/10/44/1019511044.db2.gz GKSYBKOHRZZZSD-QKLQHJQFSA-N 0 0 330.472 3.701 10 0 EHAERN C[S@@](=O)c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1F ZINC000588389821 1020085563 /nfs/dbraw/zinc/08/55/63/1020085563.db2.gz RNQRJXBGCSYORX-NOUOYNBVSA-N 0 0 337.803 3.868 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000588401433 1020512058 /nfs/dbraw/zinc/51/20/58/1020512058.db2.gz OWUKGQZGGNLGTB-PTNGSMBKSA-N 0 0 343.448 3.749 10 0 EHAERN CCOc1cc2c(cc1/C=C\C(=O)OCc1cncs1)O[C@@H](C)C2 ZINC000588402919 1020540614 /nfs/dbraw/zinc/54/06/14/1020540614.db2.gz CZJVERXBJLSPSI-RXNFCKPNSA-N 0 0 345.420 3.622 10 0 EHAERN CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)[nH]c2c1 ZINC000328785219 1020909585 /nfs/dbraw/zinc/90/95/85/1020909585.db2.gz KJUCBCIBCRCDQO-RHSMWYFYSA-N 0 0 339.439 3.656 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)c2ccccc21 ZINC000246474087 1021094741 /nfs/dbraw/zinc/09/47/41/1021094741.db2.gz FMRXNFKTINVCTE-CCKFTAQKSA-N 0 0 338.455 3.905 10 0 EHAERN CCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164645909 1021803870 /nfs/dbraw/zinc/80/38/70/1021803870.db2.gz UPOYLVBBCDOPRW-LZLYRXPVSA-N 0 0 334.504 3.595 10 0 EHAERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000333712818 1021899503 /nfs/dbraw/zinc/89/95/03/1021899503.db2.gz MMWMPHMFPWYMSD-UWVGGRQHSA-N 0 0 337.832 3.762 10 0 EHAERN O=C(c1csc(C2CCCCC2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000334059915 1021936692 /nfs/dbraw/zinc/93/66/92/1021936692.db2.gz YCFUNPZSYMACFM-HNAYVOBHSA-N 0 0 348.512 3.958 10 0 EHAERN CC[C@H](CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588434766 1022190504 /nfs/dbraw/zinc/19/05/04/1022190504.db2.gz XYCLKJHTQJBXLB-ZBTGYSDGSA-N 0 0 346.471 3.767 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1c(C)noc1C ZINC000123271900 1022324772 /nfs/dbraw/zinc/32/47/72/1022324772.db2.gz FMGWERIYFKPLJB-KBPBESRZSA-N 0 0 348.472 3.788 10 0 EHAERN CCOc1cc2c(cc1/C=C\C(=O)N(CC)CC(F)F)O[C@H](C)C2 ZINC000588441824 1022465308 /nfs/dbraw/zinc/46/53/08/1022465308.db2.gz YUBNJBXTWOPZDC-ZHRWSRJISA-N 0 0 339.382 3.536 10 0 EHAERN O=C(c1cccn1C1CCCC1)N1CCCCC[C@H]1c1ncon1 ZINC000189635403 1023070376 /nfs/dbraw/zinc/07/03/76/1023070376.db2.gz YYEYAWBOYPXKLG-HNNXBMFYSA-N 0 0 328.416 3.744 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000090224648 1023257227 /nfs/dbraw/zinc/25/72/27/1023257227.db2.gz AYYZPXPFPZLYNF-IAGOWNOFSA-N 0 0 326.444 3.542 10 0 EHAERN Cc1cnn([C@H]2CCCN(C(=O)NCc3cc(Cl)ccc3C)C2)c1 ZINC000190486692 1023292151 /nfs/dbraw/zinc/29/21/51/1023292151.db2.gz USZHCZGJWIWYQY-KRWDZBQOSA-N 0 0 346.862 3.700 10 0 EHAERN C[C@@H](NC(=O)N(C)[C@@H](C)c1cnn(C)c1)c1nc(C(C)(C)C)cs1 ZINC000180621622 1023296275 /nfs/dbraw/zinc/29/62/75/1023296275.db2.gz RBZBWFFBWTYVHR-NEPJUHHUSA-N 0 0 349.504 3.638 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000180546982 1023299720 /nfs/dbraw/zinc/29/97/20/1023299720.db2.gz FKEYEWFNPDCDGG-CXAGYDPISA-N 0 0 326.444 3.545 10 0 EHAERN CCOc1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cn1 ZINC000119547820 1033122901 /nfs/dbraw/zinc/12/29/01/1033122901.db2.gz GORHDNBUZWKUNM-SWLSCSKDSA-N 0 0 347.440 3.536 10 0 EHAERN C[C@](O)(CNC(=O)C/C=C\c1cccc(F)c1)c1cccc(Cl)c1 ZINC000588470391 1023648730 /nfs/dbraw/zinc/64/87/30/1023648730.db2.gz HEIAKNMMOKLORS-ORUDLHBZSA-N 0 0 347.817 3.906 10 0 EHAERN O=C(Nc1nnc(C(F)(F)F)s1)c1cccn1C1CCCC1 ZINC000180859455 1023965071 /nfs/dbraw/zinc/96/50/71/1023965071.db2.gz NKJZVORFQKTXMN-UHFFFAOYSA-N 0 0 330.335 3.726 10 0 EHAERN CCC1(CC)CN(C(=O)/C=C\c2ccccc2Cl)CC[S@@]1=O ZINC000588486294 1024011838 /nfs/dbraw/zinc/01/18/38/1024011838.db2.gz VAEJPYADJNSSGS-DYYZXQNHSA-N 0 0 339.888 3.503 10 0 EHAERN CN(C)c1ccccc1NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191351398 1024078037 /nfs/dbraw/zinc/07/80/37/1024078037.db2.gz WVNOHOYDRNOWHO-OAHLLOKOSA-N 0 0 325.412 3.657 10 0 EHAERN O=C(Nc1ncn(C2CCCCC2)n1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000182675529 1024119992 /nfs/dbraw/zinc/11/99/92/1024119992.db2.gz KGWZNIJZPKHYDX-UONOGXRCSA-N 0 0 346.381 3.804 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@H](c3nc(C)cs3)C2)cn1 ZINC000151539153 1024173703 /nfs/dbraw/zinc/17/37/03/1024173703.db2.gz CCNUQUDASIBUMU-ZDUSSCGKSA-N 0 0 346.456 3.657 10 0 EHAERN CC(C)n1c(N)nnc1SCc1ccc(Br)s1 ZINC000062798162 1024300278 /nfs/dbraw/zinc/30/02/78/1024300278.db2.gz ZFKIJWPGJLCAGB-UHFFFAOYSA-N 0 0 333.280 3.558 10 0 EHAERN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247548586 1024347097 /nfs/dbraw/zinc/34/70/97/1024347097.db2.gz SAEHXTIWYASOMC-LZLYRXPVSA-N 0 0 332.492 3.524 10 0 EHAERN CC[C@H](CC1CCCCC1)C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000330219005 1024358039 /nfs/dbraw/zinc/35/80/39/1024358039.db2.gz PDPWRSNZTJLXHE-ZACQAIPSSA-N 0 0 349.475 3.663 10 0 EHAERN C[C@@H](NC(=O)N1CCC(C)(CO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000184553571 1024445027 /nfs/dbraw/zinc/44/50/27/1024445027.db2.gz FMAIYMXSWPGSPO-OAHLLOKOSA-N 0 0 332.488 3.849 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)CCC(=O)c3cccs3)c21 ZINC000103129798 1024554293 /nfs/dbraw/zinc/55/42/93/1024554293.db2.gz IOQDKZOAWKQUOF-UHFFFAOYSA-N 0 0 340.448 3.860 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000151808685 1024712428 /nfs/dbraw/zinc/71/24/28/1024712428.db2.gz CQCRPDSFUSYSSL-KUHUBIRLSA-N 0 0 343.423 3.690 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCn3ccc4ccccc43)CCO2)o1 ZINC000151817971 1024733580 /nfs/dbraw/zinc/73/35/80/1024733580.db2.gz NCUHRYQNOOYXPG-LJQANCHMSA-N 0 0 338.407 3.533 10 0 EHAERN Cc1ccc([C@H]2CN(CC(=O)Nc3c(C)cccc3Cl)CCO2)o1 ZINC000152087230 1025158833 /nfs/dbraw/zinc/15/88/33/1025158833.db2.gz JDXWRTIFRBPWCT-MRXNPFEDSA-N 0 0 348.830 3.562 10 0 EHAERN Cc1ccc([C@@H]2CN(CC(=O)Nc3c(C)cccc3Cl)CCO2)o1 ZINC000152087152 1025159209 /nfs/dbraw/zinc/15/92/09/1025159209.db2.gz JDXWRTIFRBPWCT-INIZCTEOSA-N 0 0 348.830 3.562 10 0 EHAERN Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@H](C)c2nccs2)cc1 ZINC000113390322 1025170351 /nfs/dbraw/zinc/17/03/51/1025170351.db2.gz JFQZKIQUDSNKMG-ZBFHGGJFSA-N 0 0 329.469 3.929 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000152236276 1025411085 /nfs/dbraw/zinc/41/10/85/1025411085.db2.gz LLOXSDLJQDBYBX-KRWDZBQOSA-N 0 0 331.504 3.808 10 0 EHAERN Cc1csc([C@H]2CCCCN2C(=O)c2noc3c2CCCC3)n1 ZINC000329083620 1025591901 /nfs/dbraw/zinc/59/19/01/1025591901.db2.gz FJBUFEKNSVSBPY-CYBMUJFWSA-N 0 0 331.441 3.686 10 0 EHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)C12CCCC2 ZINC000329345572 1025769281 /nfs/dbraw/zinc/76/92/81/1025769281.db2.gz BZLVXDUIPXOMMU-IRXDYDNUSA-N 0 0 345.418 3.512 10 0 EHAERN CC1(C)C[C@H](N2C(=O)NC3(CCCCC3)C2=O)c2ccccc2O1 ZINC000329402252 1025813043 /nfs/dbraw/zinc/81/30/43/1025813043.db2.gz ZGZQFROAFCBZJF-AWEZNQCLSA-N 0 0 328.412 3.748 10 0 EHAERN C[C@@H]1CCC[C@@H]1c1nc(-c2ccc(CN3CCCC3=O)cc2)no1 ZINC000329547713 1025982130 /nfs/dbraw/zinc/98/21/30/1025982130.db2.gz BBSKXTKHDHDFCV-CJNGLKHVSA-N 0 0 325.412 3.763 10 0 EHAERN Cc1sc2[nH]c(Cc3noc([C@H]4CCC[C@@H]4C)n3)nc(=O)c2c1C ZINC000329571400 1026023396 /nfs/dbraw/zinc/02/33/96/1026023396.db2.gz MQIVTWJHDCXJTC-KWQFWETISA-N 0 0 344.440 3.891 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C(C)(C)C3CCCC3)CC2)n1 ZINC000121950177 1026055629 /nfs/dbraw/zinc/05/56/29/1026055629.db2.gz KLZRWOJOFKIKIP-UHFFFAOYSA-N 0 0 329.488 3.691 10 0 EHAERN COc1ccc(F)cc1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128971 1026065893 /nfs/dbraw/zinc/06/58/93/1026065893.db2.gz AZHRGHNUARCVSR-UHFFFAOYSA-N 0 0 326.371 3.597 10 0 EHAERN Cn1nnc2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)ccc21 ZINC000103737042 1026121928 /nfs/dbraw/zinc/12/19/28/1026121928.db2.gz OQWZTKXIQZIERE-QGZVFWFLSA-N 0 0 340.814 3.503 10 0 EHAERN CC(C)c1nc(CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)cs1 ZINC000047354795 1026210119 /nfs/dbraw/zinc/21/01/19/1026210119.db2.gz DYJVPLRBXZMHNQ-VXGBXAGGSA-N 0 0 335.473 3.513 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(F)cn3)C2)cc1 ZINC000123393532 1027199297 /nfs/dbraw/zinc/19/92/97/1027199297.db2.gz YKWAKFNAEGNQGS-OCCSQVGLSA-N 0 0 329.375 3.639 10 0 EHAERN CC(C)CCC[C@@H](C)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000123459821 1027320479 /nfs/dbraw/zinc/32/04/79/1027320479.db2.gz GPRZFGBQRHLCLJ-MRXNPFEDSA-N 0 0 334.508 3.599 10 0 EHAERN CCCC[C@@H](CC)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000127838215 1027362149 /nfs/dbraw/zinc/36/21/49/1027362149.db2.gz VJSCZBXNRAYGQE-QGZVFWFLSA-N 0 0 336.520 3.844 10 0 EHAERN Cc1cc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c(C)n1C1CC1 ZINC000128943255 1027503717 /nfs/dbraw/zinc/50/37/17/1027503717.db2.gz CHUIXIIKWOYTJT-AWEZNQCLSA-N 0 0 349.438 3.512 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000129268087 1027539072 /nfs/dbraw/zinc/53/90/72/1027539072.db2.gz HWVQBYHQSYPHHR-BVGQSLNGSA-N 0 0 334.435 3.612 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246092702 1027711860 /nfs/dbraw/zinc/71/18/60/1027711860.db2.gz CNJJSSVOWQLZHJ-IUKJFTNHSA-N 0 0 331.481 3.624 10 0 EHAERN COc1ccc(C(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)cc1 ZINC000049703236 1027839919 /nfs/dbraw/zinc/83/99/19/1027839919.db2.gz OLWKKMIAECPEPE-LJQANCHMSA-N 0 0 337.419 3.502 10 0 EHAERN Cc1csc([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)n1 ZINC000114828816 1027976113 /nfs/dbraw/zinc/97/61/13/1027976113.db2.gz KQJNTOLEOIADOR-NWDGAFQWSA-N 0 0 336.486 3.558 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC[C@@H]3CCC[C@H](C)C3)C2)no1 ZINC000115853650 1027986101 /nfs/dbraw/zinc/98/61/01/1027986101.db2.gz YZTOPVGKFJAABJ-XIRDDKMYSA-N 0 0 348.491 3.559 10 0 EHAERN COc1ccccc1/C(C)=C/C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000133888192 1028076003 /nfs/dbraw/zinc/07/60/03/1028076003.db2.gz HQPMMIYFSFLIEA-XYDKVEKUSA-N 0 0 341.407 3.600 10 0 EHAERN CC[C@H](NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1)c1cccs1 ZINC000133940970 1028082002 /nfs/dbraw/zinc/08/20/02/1028082002.db2.gz ZZTYGUXHGJGMNW-HEHGZKQESA-N 0 0 340.514 3.553 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000136884359 1028276321 /nfs/dbraw/zinc/27/63/21/1028276321.db2.gz SPPHGAIWPPVWMS-OAHLLOKOSA-N 0 0 331.803 3.729 10 0 EHAERN O=C(N[C@@H]1CC=CCC1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246384583 1028307153 /nfs/dbraw/zinc/30/71/53/1028307153.db2.gz IORNJJQKGZCGND-SQNIBIBYSA-N 0 0 332.419 3.532 10 0 EHAERN COc1ccccc1/C(C)=C/C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047048 1028351397 /nfs/dbraw/zinc/35/13/97/1028351397.db2.gz PEUXKAQWKMYCRK-ZQHYZAEZSA-N 0 0 342.464 3.961 10 0 EHAERN O=C(CCc1cccs1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062079019 1028441834 /nfs/dbraw/zinc/44/18/34/1028441834.db2.gz CMHCHPRLOAZARE-INIZCTEOSA-N 0 0 329.465 3.998 10 0 EHAERN O=C(NC1(c2ccccc2)CCCC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000070956031 1028467939 /nfs/dbraw/zinc/46/79/39/1028467939.db2.gz VSVHQWKCUWLMRH-QGZVFWFLSA-N 0 0 334.419 3.698 10 0 EHAERN CC(=O)c1cc(C(=O)N2CCC(c3nc(C)cs3)CC2)ccc1C ZINC000193992882 1028481483 /nfs/dbraw/zinc/48/14/83/1028481483.db2.gz PEADXXUHEBGCJJ-UHFFFAOYSA-N 0 0 342.464 3.982 10 0 EHAERN CC(=O)c1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1C ZINC000194021380 1028485861 /nfs/dbraw/zinc/48/58/61/1028485861.db2.gz ZCMONSXYRDNCLY-OAHLLOKOSA-N 0 0 328.437 3.674 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246453874 1028543568 /nfs/dbraw/zinc/54/35/68/1028543568.db2.gz IZXNFFPNHAPEDE-HIBPSGHXSA-N 0 0 343.467 3.653 10 0 EHAERN CCCC(=O)N1CCCN(C(=O)c2ccc(SC(C)C)cc2)CC1 ZINC000075032572 1028641043 /nfs/dbraw/zinc/64/10/43/1028641043.db2.gz BUQDCYUIVMMPDY-UHFFFAOYSA-N 0 0 348.512 3.662 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000246653093 1028672280 /nfs/dbraw/zinc/67/22/80/1028672280.db2.gz JISGOFZSBRIEKV-MPKXVKKWSA-N 0 0 328.239 3.593 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H]2OCCC[C@H]2C1)c1ccc(F)c(Cl)c1 ZINC000246675483 1028676121 /nfs/dbraw/zinc/67/61/21/1028676121.db2.gz MHHQCXKYAPEEKF-RBOXIYTFSA-N 0 0 340.826 3.751 10 0 EHAERN COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(C)s1 ZINC000246727648 1028682505 /nfs/dbraw/zinc/68/25/05/1028682505.db2.gz UDJFPMLODVADDH-HUUCEWRRSA-N 0 0 349.452 3.524 10 0 EHAERN CC(=O)N(c1nc(CN2C[C@H](C)[C@@H]2c2ccccc2)cs1)C1CC1 ZINC000245415828 1028704526 /nfs/dbraw/zinc/70/45/26/1028704526.db2.gz DOLNMOAIPSDTJA-SCLBCKFNSA-N 0 0 341.480 3.851 10 0 EHAERN CCCCc1noc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246885794 1028708686 /nfs/dbraw/zinc/70/86/86/1028708686.db2.gz QSWVZTXQBKMVKT-DLBZAZTESA-N 0 0 347.434 3.639 10 0 EHAERN CC(C)(C)Sc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccn1 ZINC000245516350 1028759668 /nfs/dbraw/zinc/75/96/68/1028759668.db2.gz FWMOWXGVMOFKHQ-BPLDGKMQSA-N 0 0 334.485 3.516 10 0 EHAERN CCc1cnc(CCNC(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000075811714 1028794564 /nfs/dbraw/zinc/79/45/64/1028794564.db2.gz FRBFHJQQAMRCOR-UHFFFAOYSA-N 0 0 341.480 3.747 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)N1CC=C(c2cccs2)CC1 ZINC000247666454 1028809571 /nfs/dbraw/zinc/80/95/71/1028809571.db2.gz YCJMXWGJEXLPME-ARFHVFGLSA-N 0 0 332.469 3.504 10 0 EHAERN O=C(c1cccs1)N1CCC[C@@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000247881400 1028820014 /nfs/dbraw/zinc/82/00/14/1028820014.db2.gz VTXOJHOUTTXGGV-CQSZACIVSA-N 0 0 346.496 3.534 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NCc1ccc2c(c1)CC(C)(C)O2 ZINC000153868416 1028846465 /nfs/dbraw/zinc/84/64/65/1028846465.db2.gz ULVLKCXBISMZJN-INIZCTEOSA-N 0 0 340.471 3.740 10 0 EHAERN Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1-c1ncco1 ZINC000248141901 1028851757 /nfs/dbraw/zinc/85/17/57/1028851757.db2.gz PSDCVRZSHSRRLT-NUEKZKHPSA-N 0 0 341.411 3.585 10 0 EHAERN C[C@@]1(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CC1(Cl)Cl ZINC000076513503 1029009332 /nfs/dbraw/zinc/00/93/32/1029009332.db2.gz SHDYDOHSOHGDIN-WFASDCNBSA-N 0 0 330.230 3.801 10 0 EHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 ZINC000249964014 1029030945 /nfs/dbraw/zinc/03/09/45/1029030945.db2.gz JWDFVBLGUQBZDG-JCURWCKSSA-N 0 0 342.464 3.739 10 0 EHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)n1 ZINC000245703039 1029055744 /nfs/dbraw/zinc/05/57/44/1029055744.db2.gz NQXVEANBUHYBCV-NUEKZKHPSA-N 0 0 345.393 3.545 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCCC2(CCCCC2)C1 ZINC000077853745 1029163527 /nfs/dbraw/zinc/16/35/27/1029163527.db2.gz ZZIZOOUXZATPRI-LJQANCHMSA-N 0 0 344.499 3.909 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc(OCc2ccccc2)c1 ZINC000251941309 1029169662 /nfs/dbraw/zinc/16/96/62/1029169662.db2.gz UQHSFHCUBNIQEC-ZCNNSNEGSA-N 0 0 337.419 3.563 10 0 EHAERN CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000253604764 1029339764 /nfs/dbraw/zinc/33/97/64/1029339764.db2.gz CKVKGABWAPICOE-OAHLLOKOSA-N 0 0 342.464 3.801 10 0 EHAERN O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000078789365 1029469450 /nfs/dbraw/zinc/46/94/50/1029469450.db2.gz QRSCGFNDFGXOCK-UHFFFAOYSA-N 0 0 333.796 3.969 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)CCO2)o1 ZINC000246036107 1029590764 /nfs/dbraw/zinc/59/07/64/1029590764.db2.gz ADXXGFQBWZTTKO-DAYGRLMNSA-N 0 0 347.361 3.570 10 0 EHAERN O=C(/C=C/c1ccc(F)cc1)NC1CCN(c2cccs2)CC1 ZINC000155990954 1029718073 /nfs/dbraw/zinc/71/80/73/1029718073.db2.gz KKFHQOPCVQJUSA-VMPITWQZSA-N 0 0 330.428 3.686 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c2ccccc2O1 ZINC000126547318 1029744523 /nfs/dbraw/zinc/74/45/23/1029744523.db2.gz RTHHILDDOIMWCG-HFTRVMKXSA-N 0 0 344.455 3.546 10 0 EHAERN Cc1ccc(N(C)C(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(C)c1 ZINC000080319969 1029961801 /nfs/dbraw/zinc/96/18/01/1029961801.db2.gz JJUZSOSIFANTMT-INIZCTEOSA-N 0 0 342.464 3.633 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)CCCC3CCCC3)CC2)n1 ZINC000080347136 1029967954 /nfs/dbraw/zinc/96/79/54/1029967954.db2.gz BHYJZQFZUHGCKG-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN Cc1cn2c(CN3CCO[C@@H](c4ccsc4)C3)c(C)nc2s1 ZINC000093768561 1030672530 /nfs/dbraw/zinc/67/25/30/1030672530.db2.gz OOXXBFUKKZJRHZ-OAHLLOKOSA-N 0 0 333.482 3.648 10 0 EHAERN O=C(c1ccc(Br)o1)N1CCC[C@@H](c2nccs2)C1 ZINC000170890758 1030711876 /nfs/dbraw/zinc/71/18/76/1030711876.db2.gz OZSXRQCLFAHPAG-SECBINFHSA-N 0 0 341.230 3.518 10 0 EHAERN C[C@]1(C(=O)N[C@H](c2ccccc2)c2cccnc2)CC1(Cl)Cl ZINC000171226390 1030748631 /nfs/dbraw/zinc/74/86/31/1030748631.db2.gz DBOVSKOPNVFJQH-GDBMZVCRSA-N 0 0 335.234 3.871 10 0 EHAERN C[C@]1(C(=O)N[C@@H](c2nccs2)c2ccccc2)CC1(Cl)Cl ZINC000171496731 1030786483 /nfs/dbraw/zinc/78/64/83/1030786483.db2.gz HBXLAJKPVMOFPZ-BXUZGUMPSA-N 0 0 341.263 3.933 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1nccs1 ZINC000171562281 1030794661 /nfs/dbraw/zinc/79/46/61/1030794661.db2.gz HOAMKFMADTUZDK-DOMZBBRYSA-N 0 0 333.432 3.760 10 0 EHAERN C[C@H](NC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccncc1 ZINC000171732024 1030812576 /nfs/dbraw/zinc/81/25/76/1030812576.db2.gz YJDDWTPLZGFJCX-XJKSGUPXSA-N 0 0 338.436 3.688 10 0 EHAERN O=C(Nc1cccnc1Cl)N1CCC(Cc2ccccn2)CC1 ZINC000171808093 1030820796 /nfs/dbraw/zinc/82/07/96/1030820796.db2.gz WIFYXPGCCJHCGQ-UHFFFAOYSA-N 0 0 330.819 3.617 10 0 EHAERN C[C@H](Cc1ccccc1F)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172350227 1030869894 /nfs/dbraw/zinc/86/98/94/1030869894.db2.gz LJPZYWVKRVYORB-MRXNPFEDSA-N 0 0 340.442 3.881 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3cc4ccccc4o3)CC2)nc1 ZINC000157871443 1030925659 /nfs/dbraw/zinc/92/56/59/1030925659.db2.gz KSTNFDMOXYWSFG-UHFFFAOYSA-N 0 0 335.407 3.535 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@@H](C)c3cc(C)oc3C)CC2)cn1 ZINC000157953883 1030985257 /nfs/dbraw/zinc/98/52/57/1030985257.db2.gz XPKAGFAVONASJB-AWEZNQCLSA-N 0 0 344.459 3.763 10 0 EHAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000172938388 1031034302 /nfs/dbraw/zinc/03/43/02/1031034302.db2.gz RVQASNGEBOJKTA-UHFFFAOYSA-N 0 0 344.418 3.505 10 0 EHAERN C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000158089579 1031081375 /nfs/dbraw/zinc/08/13/75/1031081375.db2.gz QNHPWPWYHBLMBL-GFCCVEGCSA-N 0 0 325.343 3.693 10 0 EHAERN CCC[C@@]1(C)CCCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1 ZINC000173658377 1031127684 /nfs/dbraw/zinc/12/76/84/1031127684.db2.gz DKQWAKBPXIIRFK-FQEVSTJZSA-N 0 0 343.471 3.567 10 0 EHAERN COc1cc(C)sc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174072467 1031161283 /nfs/dbraw/zinc/16/12/83/1031161283.db2.gz DTFJJXKQSYXOON-UHFFFAOYSA-N 0 0 348.443 3.921 10 0 EHAERN COc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174082052 1031162590 /nfs/dbraw/zinc/16/25/90/1031162590.db2.gz IDPFDAATJXIDFK-UHFFFAOYSA-N 0 0 328.387 3.551 10 0 EHAERN Cc1ccc([C@@H]2CSCCN2C(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000116521643 1031213171 /nfs/dbraw/zinc/21/31/71/1031213171.db2.gz NXFQQKCCBHUDNG-YJBOKZPZSA-N 0 0 341.480 3.951 10 0 EHAERN O=C(c1cc2c(s1)CCCCCC2)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000296558459 1031252927 /nfs/dbraw/zinc/25/29/27/1031252927.db2.gz ZUHBHHFAWISXHV-CQSZACIVSA-N 0 0 344.484 3.893 10 0 EHAERN O=C(NC(c1cccs1)c1cccs1)c1ncncc1Cl ZINC000175226682 1031313449 /nfs/dbraw/zinc/31/34/49/1031313449.db2.gz QDEZVEAEZHABKI-UHFFFAOYSA-N 0 0 335.841 3.772 10 0 EHAERN Cc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)c(F)cc1F ZINC000176333768 1031425755 /nfs/dbraw/zinc/42/57/55/1031425755.db2.gz ILTPLLPHLUWNAK-UHFFFAOYSA-N 0 0 330.378 3.763 10 0 EHAERN CC[S@](=O)c1ccccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000176391910 1031430771 /nfs/dbraw/zinc/43/07/71/1031430771.db2.gz UWFSEYXPQOZPPG-DEOSSOPVSA-N 0 0 339.460 3.744 10 0 EHAERN CCN(CC)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000176716072 1031451636 /nfs/dbraw/zinc/45/16/36/1031451636.db2.gz LJTJELRQMHKWRS-MRXNPFEDSA-N 0 0 326.444 3.718 10 0 EHAERN Cc1coc(-c2cccc(NC(=O)N[C@H](C)c3nccs3)c2)n1 ZINC000158588826 1031459998 /nfs/dbraw/zinc/45/99/98/1031459998.db2.gz CUXBBHPESAVPDH-LLVKDONJSA-N 0 0 328.397 3.989 10 0 EHAERN Cc1ccc([C@@H]2CN(CCC(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000158795287 1031615540 /nfs/dbraw/zinc/61/55/40/1031615540.db2.gz VLEGXUSKJISRIZ-KRWDZBQOSA-N 0 0 348.830 3.644 10 0 EHAERN Cc1coc(-c2cc(NC(=O)Nc3cn(C)nc3C)ccc2C)n1 ZINC000178400078 1031692972 /nfs/dbraw/zinc/69/29/72/1031692972.db2.gz LRWBNMIGCHOQNJ-UHFFFAOYSA-N 0 0 325.372 3.644 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)CCc3ccccc3)CCO2)o1 ZINC000179038870 1031726803 /nfs/dbraw/zinc/72/68/03/1031726803.db2.gz JYNZFALUAXECEC-HNAYVOBHSA-N 0 0 342.439 3.692 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000117570355 1031755203 /nfs/dbraw/zinc/75/52/03/1031755203.db2.gz ZZHWIKUHJLRCRY-MEDUHNTESA-N 0 0 337.404 3.708 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117576529 1031757486 /nfs/dbraw/zinc/75/74/86/1031757486.db2.gz SMOJFTFUVHTFMI-QLJPJBMISA-N 0 0 345.782 3.630 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000117603058 1031779311 /nfs/dbraw/zinc/77/93/11/1031779311.db2.gz SJJFVORIMUNRNL-YJYMSZOUSA-N 0 0 347.374 3.772 10 0 EHAERN Cc1ccc(F)cc1CN1CCCN(C(=O)c2cccs2)CC1 ZINC000180151900 1031861310 /nfs/dbraw/zinc/86/13/10/1031861310.db2.gz FEXRACBKDKSUOU-UHFFFAOYSA-N 0 0 332.444 3.544 10 0 EHAERN Cc1ccc(-c2ccc(C(=O)N3CCCN(C4CC4)CC3)s2)o1 ZINC000180859993 1031915389 /nfs/dbraw/zinc/91/53/89/1031915389.db2.gz BFRDXOPFDJSUFB-UHFFFAOYSA-N 0 0 330.453 3.627 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(C)c(F)c3)CC2)nc1 ZINC000180863321 1031915823 /nfs/dbraw/zinc/91/58/23/1031915823.db2.gz LAEMPRRZPGIGIW-UHFFFAOYSA-N 0 0 328.387 3.521 10 0 EHAERN Cc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1O ZINC000180815315 1031951386 /nfs/dbraw/zinc/95/13/86/1031951386.db2.gz MRMVUSCHQUMELE-UHFFFAOYSA-N 0 0 328.387 3.556 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)nc1 ZINC000181190685 1031992018 /nfs/dbraw/zinc/99/20/18/1031992018.db2.gz NPSNXEFBHBOYEX-UHFFFAOYSA-N 0 0 336.435 3.562 10 0 EHAERN Cn1c(CN2CCc3cc(-c4ccccc4)oc3C2)nnc1C1CCC1 ZINC000181477012 1031995438 /nfs/dbraw/zinc/99/54/38/1031995438.db2.gz OAKTWKKQEHNKSI-UHFFFAOYSA-N 0 0 348.450 3.901 10 0 EHAERN O=C([O-])CCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000181587026 1032007569 /nfs/dbraw/zinc/00/75/69/1032007569.db2.gz TWVLDODEHFKYSB-INIZCTEOSA-N 0 0 327.428 3.511 10 0 EHAERN C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000249384665 1032023545 /nfs/dbraw/zinc/02/35/45/1032023545.db2.gz QYCUTLVKHURHBM-ZIAGYGMSSA-N 0 0 346.504 3.575 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc3nc(C)ccc3o2)C12CCCC2 ZINC000172587249 1033538911 /nfs/dbraw/zinc/53/89/11/1033538911.db2.gz SINMJZVQGLLHEM-ZWKOTPCHSA-N 0 0 342.439 3.946 10 0 EHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000120382462 1033740901 /nfs/dbraw/zinc/74/09/01/1033740901.db2.gz QNWRCLZPXKSWCT-ROJDOSBLSA-N 0 0 349.434 3.661 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NC[C@H](C)Cc3cccs3)CCO2)o1 ZINC000120395047 1033750621 /nfs/dbraw/zinc/75/06/21/1033750621.db2.gz BMZYQWZSPZQBTK-CXAGYDPISA-N 0 0 348.468 3.611 10 0 EHAERN Cc1cc(C(=O)COc2ccc(C)nc2)c(C)n1-c1nccs1 ZINC000101540999 1033758279 /nfs/dbraw/zinc/75/82/79/1033758279.db2.gz BFKKXGAKMKWBIN-UHFFFAOYSA-N 0 0 327.409 3.516 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000120561589 1033929270 /nfs/dbraw/zinc/92/92/70/1033929270.db2.gz PYOAASOPGZJBHL-RISCZKNCSA-N 0 0 334.466 3.513 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccncc1 ZINC000173499816 1033996484 /nfs/dbraw/zinc/99/64/84/1033996484.db2.gz JSZVEIYMVCQOEL-HUUCEWRRSA-N 0 0 330.457 3.578 10 0 EHAERN COCc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)o1 ZINC000101665975 1034025773 /nfs/dbraw/zinc/02/57/73/1034025773.db2.gz JBFZOMWBOQLGQG-UHFFFAOYSA-N 0 0 331.759 3.517 10 0 EHAERN Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)c2ccncc2)cc1 ZINC000086340133 1034071245 /nfs/dbraw/zinc/07/12/45/1034071245.db2.gz GICYGZRTLRLGKF-LSDHHAIUSA-N 0 0 349.438 3.697 10 0 EHAERN CCc1noc(CC)c1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000087304694 1034128457 /nfs/dbraw/zinc/12/84/57/1034128457.db2.gz HHBSORFEOJCTEI-UHFFFAOYSA-N 0 0 330.453 3.719 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCOc2cccc(C)c2)cs1 ZINC000186034212 1035570315 /nfs/dbraw/zinc/57/03/15/1035570315.db2.gz SUKCIUJORWLRMX-KRWDZBQOSA-N 0 0 345.468 3.685 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(F)c(Cl)c1F ZINC000186102337 1035581965 /nfs/dbraw/zinc/58/19/65/1035581965.db2.gz JDJLPDYGVCNLOY-UHFFFAOYSA-N 0 0 335.697 3.921 10 0 EHAERN COc1ccsc1[C@@H](C)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000186149085 1035590856 /nfs/dbraw/zinc/59/08/56/1035590856.db2.gz FASNIWZLEQBXAH-IAQYHMDHSA-N 0 0 328.441 3.623 10 0 EHAERN Cc1ccccc1[C@H](C)CC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186378013 1035649586 /nfs/dbraw/zinc/64/95/86/1035649586.db2.gz ZPNOHWLFXALJGJ-GOSISDBHSA-N 0 0 337.467 3.623 10 0 EHAERN COc1cc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)ccc1F ZINC000186540831 1035657199 /nfs/dbraw/zinc/65/71/99/1035657199.db2.gz MCRIQECGFFWUAL-LLVKDONJSA-N 0 0 329.375 3.985 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc2c(c1)OCCO2 ZINC000186539577 1035658374 /nfs/dbraw/zinc/65/83/74/1035658374.db2.gz LPFYWIZHFMLWNI-LBPRGKRZSA-N 0 0 339.395 3.608 10 0 EHAERN CN1Cc2cc(NC(=O)NCc3cccc(Cl)c3)ccc2NC1=O ZINC000186586216 1035662528 /nfs/dbraw/zinc/66/25/28/1035662528.db2.gz HNGOUURMXSSIMV-UHFFFAOYSA-N 0 0 344.802 3.639 10 0 EHAERN O=C(Nc1ccc(F)cc1F)N1CCC(Nc2nccs2)CC1 ZINC000186948892 1035727896 /nfs/dbraw/zinc/72/78/96/1035727896.db2.gz OTFMZWIXFGIKGA-UHFFFAOYSA-N 0 0 338.383 3.530 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1c1cccn1C ZINC000186853243 1035730811 /nfs/dbraw/zinc/73/08/11/1035730811.db2.gz VSWISNLWGZTMSW-ZDUSSCGKSA-N 0 0 347.440 3.551 10 0 EHAERN CCN(CC)c1ncc(CNc2ccc3c(c2)CN(C)C(=O)N3)s1 ZINC000187485348 1035827139 /nfs/dbraw/zinc/82/71/39/1035827139.db2.gz JCLNIVZXXGOSBX-UHFFFAOYSA-N 0 0 345.472 3.579 10 0 EHAERN CC(C)c1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1Cl ZINC000189217319 1036034714 /nfs/dbraw/zinc/03/47/14/1036034714.db2.gz GIDPBDJLFUUMEH-UHFFFAOYSA-N 0 0 332.835 3.532 10 0 EHAERN CN(C)c1cccc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000189388209 1036062632 /nfs/dbraw/zinc/06/26/32/1036062632.db2.gz KLQFBRVYSHUAKI-MRXNPFEDSA-N 0 0 343.496 3.548 10 0 EHAERN CC[C@@H](NC(=O)N[C@H]1CCCc2c(O)cccc21)c1c(C)noc1C ZINC000189683683 1036114821 /nfs/dbraw/zinc/11/48/21/1036114821.db2.gz XXZBTVPAUXLVKL-CVEARBPZSA-N 0 0 343.427 3.825 10 0 EHAERN Cc1ccc(F)cc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189783187 1036129276 /nfs/dbraw/zinc/12/92/76/1036129276.db2.gz YOWALZUZHNNLOP-UHFFFAOYSA-N 0 0 325.383 3.843 10 0 EHAERN O=C(NCc1cccc(OCC(F)F)c1)c1cccc2ncccc21 ZINC000102300633 1036161100 /nfs/dbraw/zinc/16/11/00/1036161100.db2.gz SCSLDLIEXDLFEE-UHFFFAOYSA-N 0 0 342.345 3.809 10 0 EHAERN Cc1nc(CC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cs1 ZINC000190279903 1036215763 /nfs/dbraw/zinc/21/57/63/1036215763.db2.gz BWMYOCKINNFJCN-LBPRGKRZSA-N 0 0 336.407 3.678 10 0 EHAERN CC(C)(CC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190382598 1036232444 /nfs/dbraw/zinc/23/24/44/1036232444.db2.gz MMPXNAGZNAIZHR-UHFFFAOYSA-N 0 0 343.496 3.914 10 0 EHAERN CC(C)N(C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000190726520 1036264464 /nfs/dbraw/zinc/26/44/64/1036264464.db2.gz DXMYSSGDLFRJNF-MRXNPFEDSA-N 0 0 326.444 3.716 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000332857469 1036323168 /nfs/dbraw/zinc/32/31/68/1036323168.db2.gz CIPLOVRITGGHDX-KYZVSKTDSA-N 0 0 334.435 3.706 10 0 EHAERN CC(C)c1nnc(CN2CCC[C@H](c3cc(F)ccc3F)C2)n1C ZINC000191672739 1036405283 /nfs/dbraw/zinc/40/52/83/1036405283.db2.gz IEOGXGCCWQOPQL-ZDUSSCGKSA-N 0 0 334.414 3.596 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191532633 1036408300 /nfs/dbraw/zinc/40/83/00/1036408300.db2.gz RSMPMVUDUZBLKX-BEFAXECRSA-N 0 0 345.389 3.795 10 0 EHAERN Cc1nnc(CN2CCC[C@@H](c3cc(F)ccc3F)C2)n1C1CC1 ZINC000191682822 1036434323 /nfs/dbraw/zinc/43/43/23/1036434323.db2.gz HZXSHLIPYBMUSV-CYBMUJFWSA-N 0 0 332.398 3.579 10 0 EHAERN C[C@@H](c1nc(C2CC2)no1)N1CC2(CCOCC2)c2ccccc21 ZINC000192286478 1036493695 /nfs/dbraw/zinc/49/36/95/1036493695.db2.gz QPTKPHYPQCQWFY-ZDUSSCGKSA-N 0 0 325.412 3.576 10 0 EHAERN Cc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1F ZINC000103322215 1036889548 /nfs/dbraw/zinc/88/95/48/1036889548.db2.gz NDDJUFWTVYKYDS-LLVKDONJSA-N 0 0 334.778 3.603 10 0 EHAERN CC(C)N(C(=O)Cn1ccc(=O)c2ccccc21)C1CCCCC1 ZINC000103390011 1036897022 /nfs/dbraw/zinc/89/70/22/1036897022.db2.gz MRAUYNMYDXQSTE-UHFFFAOYSA-N 0 0 326.440 3.571 10 0 EHAERN CCOCCOCC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000103793789 1036962180 /nfs/dbraw/zinc/96/21/80/1036962180.db2.gz IZGMRHKIVKWDII-UHFFFAOYSA-N 0 0 339.863 3.664 10 0 EHAERN CN1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)c2ccccc2C1 ZINC000104414926 1037037624 /nfs/dbraw/zinc/03/76/24/1037037624.db2.gz CTAOQGCJBQQOIY-UHFFFAOYSA-N 0 0 349.409 3.709 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248923843 1037044130 /nfs/dbraw/zinc/04/41/30/1037044130.db2.gz WXPRRVNCKBXOOM-QRQLOZEOSA-N 0 0 342.483 3.957 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000105237784 1037159249 /nfs/dbraw/zinc/15/92/49/1037159249.db2.gz QZPXFVMDDPFKJD-AWEZNQCLSA-N 0 0 332.473 3.572 10 0 EHAERN CN(Cc1nc(-c2ccoc2)no1)Cc1ccc(OC(F)F)cc1 ZINC000105607409 1037204744 /nfs/dbraw/zinc/20/47/44/1037204744.db2.gz SWJOHGMLMLBURM-UHFFFAOYSA-N 0 0 335.310 3.563 10 0 EHAERN C[C@H](SCC(=O)NC(C)(C)C)c1nc(-c2cccs2)no1 ZINC000105632183 1037229090 /nfs/dbraw/zinc/22/90/90/1037229090.db2.gz OYBCFHRZRLBNJN-VIFPVBQESA-N 0 0 325.459 3.507 10 0 EHAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC000105662248 1037235239 /nfs/dbraw/zinc/23/52/39/1037235239.db2.gz AVNQFFOKHGCHHW-FQEVSTJZSA-N 0 0 336.284 3.547 10 0 EHAERN Cc1nc(C[S@](=O)Cc2coc(-c3ccc(F)cc3)n2)cs1 ZINC000105685315 1037240140 /nfs/dbraw/zinc/24/01/40/1037240140.db2.gz KJTQYKYBYDBAHF-QFIPXVFZSA-N 0 0 336.413 3.695 10 0 EHAERN CCn1c(C)cc(C(=O)N2CCC(c3nc(C)cs3)CC2)c1C ZINC000102646415 1037583340 /nfs/dbraw/zinc/58/33/40/1037583340.db2.gz YXCOOQMIHLZTNQ-UHFFFAOYSA-N 0 0 331.485 3.910 10 0 EHAERN CC[C@H](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(C)C ZINC000104213130 1037595881 /nfs/dbraw/zinc/59/58/81/1037595881.db2.gz CZWIOCOQOWLDDY-QGZVFWFLSA-N 0 0 336.520 3.700 10 0 EHAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@]1(C)CC1(Cl)Cl ZINC000110314321 1037711770 /nfs/dbraw/zinc/71/17/70/1037711770.db2.gz LPDQJVLYOQKUCO-KYOSRNDESA-N 0 0 328.239 3.559 10 0 EHAERN Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1COc1ccccc1 ZINC000112934548 1037771297 /nfs/dbraw/zinc/77/12/97/1037771297.db2.gz UISUFEQIEKWNFK-CQSZACIVSA-N 0 0 348.830 3.639 10 0 EHAERN O=C(NCCc1ccc(Cl)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000114818614 1037810836 /nfs/dbraw/zinc/81/08/36/1037810836.db2.gz MIVFMSPVISEYNA-AWEZNQCLSA-N 0 0 349.887 3.928 10 0 EHAERN COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116413590 1037840562 /nfs/dbraw/zinc/84/05/62/1037840562.db2.gz GEMLRVFTODNDEA-CZUORRHYSA-N 0 0 344.411 3.905 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000117595050 1037855168 /nfs/dbraw/zinc/85/51/68/1037855168.db2.gz RAOSGRJSFBREDL-XIKOKIGWSA-N 0 0 336.391 3.538 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](C)c1cccc(C)c1C)CCC2 ZINC000332718604 1037949898 /nfs/dbraw/zinc/94/98/98/1037949898.db2.gz VMUGZZSXAVNKFO-IAGOWNOFSA-N 0 0 340.471 3.746 10 0 EHAERN Cc1[nH]c2ccccc2c1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000124222622 1038155625 /nfs/dbraw/zinc/15/56/25/1038155625.db2.gz FFKVBWYKYVPULQ-UHFFFAOYSA-N 0 0 348.450 3.579 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1Cl ZINC000247109246 1038601687 /nfs/dbraw/zinc/60/16/87/1038601687.db2.gz SXNSTDPYISGLHS-SUNYJGFJSA-N 0 0 336.863 3.738 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(-c2ccncc2)on1 ZINC000123390193 1038731890 /nfs/dbraw/zinc/73/18/90/1038731890.db2.gz SWJBMQWPMWGENR-NWDGAFQWSA-N 0 0 339.317 3.588 10 0 EHAERN CN(C)c1nc2ccc(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)cc2o1 ZINC000125524426 1039188830 /nfs/dbraw/zinc/18/88/30/1039188830.db2.gz UHDVPOVRQGMNDK-CHWSQXEVSA-N 0 0 328.416 3.548 10 0 EHAERN O=C(CSC(=S)N1CCCC1)N1CCC[C@@H]1c1cccs1 ZINC000364072618 1039648997 /nfs/dbraw/zinc/64/89/97/1039648997.db2.gz NZIOVQJZGWAYLN-GFCCVEGCSA-N 0 0 340.539 3.526 10 0 EHAERN O=C(c1cc2c(cc1O)CCCC2)N1CCC(c2nccs2)CC1 ZINC000408409741 1039654073 /nfs/dbraw/zinc/65/40/73/1039654073.db2.gz CHUJFKOBAJCSRT-UHFFFAOYSA-N 0 0 342.464 3.747 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2CCC3(C2)CCCCC3)c1 ZINC000408414920 1039742141 /nfs/dbraw/zinc/74/21/41/1039742141.db2.gz HTCCVAKVTIBNPF-UHFFFAOYSA-N 0 0 333.407 3.972 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)c1cccs1 ZINC000171350250 1040126749 /nfs/dbraw/zinc/12/67/49/1040126749.db2.gz RLXAEFVCVIBUMT-KGLIPLIRSA-N 0 0 348.472 3.555 10 0 EHAERN O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCC[C@H](c2nccs2)C1 ZINC000157034173 1040322010 /nfs/dbraw/zinc/32/20/10/1040322010.db2.gz XCSVQFKXJSYHPI-LSDHHAIUSA-N 0 0 349.500 3.524 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000157047708 1040389759 /nfs/dbraw/zinc/38/97/59/1040389759.db2.gz VYVQBSRLWINPGD-OCCSQVGLSA-N 0 0 345.472 3.722 10 0 EHAERN O=C(NCc1cc2ccccc2s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332961027 1040418071 /nfs/dbraw/zinc/41/80/71/1040418071.db2.gz KXHWXYHZWDFHPN-BEFAXECRSA-N 0 0 344.480 3.738 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCC[C@H](C(C)C)C3)C2)no1 ZINC000171451012 1040441827 /nfs/dbraw/zinc/44/18/27/1040441827.db2.gz OHMCKQNCFNOPOQ-ULQDDVLXSA-N 0 0 348.491 3.557 10 0 EHAERN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000253613883 1041036467 /nfs/dbraw/zinc/03/64/67/1041036467.db2.gz WZTQJARHKFCZOS-QWHCGFSZSA-N 0 0 340.452 3.733 10 0 EHAERN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000333055993 1041161086 /nfs/dbraw/zinc/16/10/86/1041161086.db2.gz RIUSJGCSKCVTKD-BZNIZROVSA-N 0 0 346.381 3.772 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000333181412 1041415116 /nfs/dbraw/zinc/41/51/16/1041415116.db2.gz LXBCQDJPFFUCNL-IOASZLSFSA-N 0 0 327.428 3.786 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)nn1-c1cc(C)cc(C)c1 ZINC000330248901 1042405213 /nfs/dbraw/zinc/40/52/13/1042405213.db2.gz MKEYSZCLOIAXGT-WMZOPIPTSA-N 0 0 338.455 3.626 10 0 EHAERN Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@H]4CCC[C@@H]43)cc2)n1 ZINC000330264324 1042723391 /nfs/dbraw/zinc/72/33/91/1042723391.db2.gz XTYYTQCZUSEJIM-PBHICJAKSA-N 0 0 338.411 3.984 10 0 EHAERN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000330266078 1042750566 /nfs/dbraw/zinc/75/05/66/1042750566.db2.gz PTYSOGHOUOMALB-LKTVYLICSA-N 0 0 333.819 3.608 10 0 EHAERN Cc1ccc(-c2noc(CCC(=O)N3CC[C@H]4CCC[C@H]43)n2)cc1F ZINC000330290862 1042834038 /nfs/dbraw/zinc/83/40/38/1042834038.db2.gz COELDUPPPTZFEY-CZUORRHYSA-N 0 0 343.402 3.518 10 0 EHAERN CC(C)c1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000408320066 1043112442 /nfs/dbraw/zinc/11/24/42/1043112442.db2.gz LHZNHYSUGOJNCC-ICSRJNTNSA-N 0 0 330.472 3.647 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c2ccccc2)[nH]1 ZINC000163394087 1043941001 /nfs/dbraw/zinc/94/10/01/1043941001.db2.gz OEMKKCDRSZTYLY-KZNAEPCWSA-N 0 0 338.455 3.535 10 0 EHAERN Cc1cccc(CNC(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000103308717 1127822832 /nfs/dbraw/zinc/82/28/32/1127822832.db2.gz LNXCNMHQCANXJJ-UHFFFAOYSA-N 0 0 329.831 3.922 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2CCCc3c[nH]nc32)o1 ZINC000269026581 1128735810 /nfs/dbraw/zinc/73/58/10/1128735810.db2.gz KNGSZQSTRMKCFR-GJZGRUSLSA-N 0 0 328.416 3.625 10 0 EHAERN O=C(N[C@@H]1CCCc2sccc21)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000282656114 1131134781 /nfs/dbraw/zinc/13/47/81/1131134781.db2.gz PNLJEVLIMGWUSG-QBPKDAKJSA-N 0 0 348.512 3.851 10 0 EHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000184449271 1132410517 /nfs/dbraw/zinc/41/05/17/1132410517.db2.gz JNJBXUKQALJOSG-LSDHHAIUSA-N 0 0 345.468 3.791 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cnc([C@H]3CCCO3)s2)cs1 ZINC000187009876 1132427471 /nfs/dbraw/zinc/42/74/71/1132427471.db2.gz GIUULFVWPDJZGL-QWHCGFSZSA-N 0 0 349.481 3.737 10 0 EHAERN COc1ccc2c(c1NC(=O)N[C@@H]1CCOc3ccccc31)CCC2 ZINC000191302474 1132460985 /nfs/dbraw/zinc/46/09/85/1132460985.db2.gz FEZOXQJGMVTLJW-MRXNPFEDSA-N 0 0 338.407 3.829 10 0 EHAERN CCN(Cn1ncn(CCc2ccccn2)c1=S)C1CCCCC1 ZINC000103263557 1132771586 /nfs/dbraw/zinc/77/15/86/1132771586.db2.gz LWWWQYSCQZVBEI-UHFFFAOYSA-N 0 0 345.516 3.664 10 0 EHAERN O=C(OCCc1cccnc1)C1(c2ccc(Br)cc2)CC1 ZINC000105556510 1135953774 /nfs/dbraw/zinc/95/37/74/1135953774.db2.gz CZDCORTXNDUCGX-UHFFFAOYSA-N 0 0 346.224 3.662 10 0 EHAERN CCOCCO[C@@H](C)C(=O)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000105766946 1135975730 /nfs/dbraw/zinc/97/57/30/1135975730.db2.gz YMPPTYRSMHISNN-HNAYVOBHSA-N 0 0 346.398 3.900 10 0 EHAERN CC[C@@H](COC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1 ZINC000105775159 1135976228 /nfs/dbraw/zinc/97/62/28/1135976228.db2.gz WTKVJHMXMDBXMY-INIZCTEOSA-N 0 0 331.456 3.618 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)C1(C)C ZINC000333682764 1138319319 /nfs/dbraw/zinc/31/93/19/1138319319.db2.gz OYSQWGMLWCOFDM-ZTENYAIWSA-N 0 0 333.476 3.709 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)CCCC3)C[C@H](C)O1 ZINC000333764327 1138330397 /nfs/dbraw/zinc/33/03/97/1138330397.db2.gz DEJIOFMNJGTMPQ-QDMKHBRRSA-N 0 0 344.455 3.921 10 0 EHAERN CC(C)(C)c1csc(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)n1 ZINC000333938805 1138350283 /nfs/dbraw/zinc/35/02/83/1138350283.db2.gz MUNGAFKOXFPMJY-TUAOUCFPSA-N 0 0 333.457 3.540 10 0 EHAERN Cc1nc(N[C@H]2CC3(CCCC3)Oc3ccccc32)cc2nncn21 ZINC000334031406 1138363589 /nfs/dbraw/zinc/36/35/89/1138363589.db2.gz LJQCOVBIWMBGAF-HNNXBMFYSA-N 0 0 335.411 3.681 10 0 EHAERN Cc1coc2ccc(NC(=O)N3CCCC[C@@H]3c3nc[nH]n3)cc12 ZINC000188003989 1140279416 /nfs/dbraw/zinc/27/94/16/1140279416.db2.gz HFJCWAXTKUPZID-CQSZACIVSA-N 0 0 325.372 3.618 10 0 EHAERN CCSc1ccc(Cl)cc1NC(=O)N(C)CC1CC(O)C1 ZINC000189947671 1140373311 /nfs/dbraw/zinc/37/33/11/1140373311.db2.gz WPWGBSSFFGEARC-UHFFFAOYSA-N 0 0 328.865 3.687 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000190153999 1140389251 /nfs/dbraw/zinc/38/92/51/1140389251.db2.gz BGGZVYSTNGBOCS-KGLIPLIRSA-N 0 0 342.226 3.647 10 0 EHAERN CCOC(=O)[C@H](Nc1cccc(Br)c1)C1CCCC1 ZINC000050272730 214052497 /nfs/dbraw/zinc/05/24/97/214052497.db2.gz RPPPSNCXDSFDCH-CQSZACIVSA-N 0 0 326.234 3.983 10 0 EHAERN Cc1cc(N(C)Cc2csc(Br)c2)ccc1CO ZINC000050583167 214059725 /nfs/dbraw/zinc/05/97/25/214059725.db2.gz SUKIECDYPMJDHE-UHFFFAOYSA-N 0 0 326.259 3.948 10 0 EHAERN O[C@H](Cc1ccccc1F)Cc1cc(Br)ccc1F ZINC000053786063 214199094 /nfs/dbraw/zinc/19/90/94/214199094.db2.gz JZVKONOTAJLETC-CYBMUJFWSA-N 0 0 327.168 3.873 10 0 EHAERN Cc1ccc(-c2nc(-c3nc(-c4cccs4)no3)c(NN)o2)cc1 ZINC000053993875 214209195 /nfs/dbraw/zinc/20/91/95/214209195.db2.gz BPRILCLUWVIWCA-UHFFFAOYSA-N 0 0 339.380 3.714 10 0 EHAERN Fc1ccc(Oc2ccnc(Oc3cccc(-n4cncn4)c3)n2)cc1 ZINC000097998256 219067698 /nfs/dbraw/zinc/06/76/98/219067698.db2.gz CIGPTYMLAXJLTQ-UHFFFAOYSA-N 0 0 349.325 3.781 10 0 EHAERN CC(C)(C)OC(=O)N1C[C@@H](CO)[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000098089117 219082273 /nfs/dbraw/zinc/08/22/73/219082273.db2.gz YLLMJWZDOOUCRJ-AAEUAGOBSA-N 0 0 345.361 3.648 10 0 EHAERN CCOC(=O)[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 ZINC000098091718 219082957 /nfs/dbraw/zinc/08/29/57/219082957.db2.gz MLBFBZPNKSSBQE-CABCVRRESA-N 0 0 349.427 3.663 10 0 EHAERN CSc1nc(Cl)c([C@H](O)c2ccc(Cl)cc2)c(N(C)C)n1 ZINC000098178080 219086420 /nfs/dbraw/zinc/08/64/20/219086420.db2.gz FCBNJBZEZKJHLK-LLVKDONJSA-N 0 0 344.267 3.653 10 0 EHAERN O=C(CCc1c(-c2ccccc2)nc2ccccn21)N1CCCCC1 ZINC000064675893 214800251 /nfs/dbraw/zinc/80/02/51/214800251.db2.gz SHXXAYCGPDFCOO-UHFFFAOYSA-N 0 0 333.435 3.946 10 0 EHAERN COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCc1ccco1)CC2 ZINC000004222628 210147488 /nfs/dbraw/zinc/14/74/88/210147488.db2.gz DOEPFPSHBFQFRK-GOEBONIOSA-N 0 0 341.451 3.962 10 0 EHAERN CCCN(Cc1ccc(N)cc1Br)CC(F)(F)F ZINC000042739003 213529674 /nfs/dbraw/zinc/52/96/74/213529674.db2.gz ZXTSQLWZLLQGOQ-UHFFFAOYSA-N 0 0 325.172 3.806 10 0 EHAERN CCOC(=O)c1cc2ccc(OCCc3ccccc3)cc2oc1=O ZINC000040947352 213402187 /nfs/dbraw/zinc/40/21/87/213402187.db2.gz CWAGPKJNYXBFOX-UHFFFAOYSA-N 0 0 338.359 3.591 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 ZINC000040800390 213388163 /nfs/dbraw/zinc/38/81/63/213388163.db2.gz WXIFFDXZFZUZCB-UHFFFAOYSA-N 0 0 344.321 3.882 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040781582 213386170 /nfs/dbraw/zinc/38/61/70/213386170.db2.gz QIQAPXKRESMBIE-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN Cc1ccc(Oc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040796355 213387077 /nfs/dbraw/zinc/38/70/77/213387077.db2.gz KYJFAWJDZAZLQK-UHFFFAOYSA-N 0 0 327.775 3.952 10 0 EHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1F ZINC000040782515 213386775 /nfs/dbraw/zinc/38/67/75/213386775.db2.gz ZBANFBMXSPCETF-UHFFFAOYSA-N 0 0 331.301 3.963 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782446 213386853 /nfs/dbraw/zinc/38/68/53/213386853.db2.gz LSNKNRUMAPJCTN-UHFFFAOYSA-N 0 0 325.347 3.694 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2ccccc2Cl)c1N ZINC000040758024 213383712 /nfs/dbraw/zinc/38/37/12/213383712.db2.gz SEVYIYJWYPXEEU-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040757972 213383347 /nfs/dbraw/zinc/38/33/47/213383347.db2.gz YSXGRQYKLWEKEB-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3ccccc3)c2N)c(OC)c1 ZINC000040754469 213382125 /nfs/dbraw/zinc/38/21/25/213382125.db2.gz HOUFQXIBAKLBSI-UHFFFAOYSA-N 0 0 337.383 3.563 10 0 EHAERN CCN(CC)c1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040723215 213376185 /nfs/dbraw/zinc/37/61/85/213376185.db2.gz HMNMRTDVWXDWPG-UHFFFAOYSA-N 0 0 326.231 3.955 10 0 EHAERN Nc1c(Oc2cccc3cccnc32)ncnc1N1CCCCCC1 ZINC000040725413 213376804 /nfs/dbraw/zinc/37/68/04/213376804.db2.gz HZOMFTOYJIUOFW-UHFFFAOYSA-N 0 0 335.411 3.780 10 0 EHAERN Nc1c(NCc2ccccc2)ncnc1Nc1cccc2cccnc21 ZINC000040709262 213373414 /nfs/dbraw/zinc/37/34/14/213373414.db2.gz NHKSUQGLTHVQJM-UHFFFAOYSA-N 0 0 342.406 3.963 10 0 EHAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2nccs2)c1N ZINC000040701569 213372430 /nfs/dbraw/zinc/37/24/30/213372430.db2.gz DLSWCYPMRYXAJH-UHFFFAOYSA-N 0 0 332.820 3.964 10 0 EHAERN Cc1cc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)no1 ZINC000040681103 213367930 /nfs/dbraw/zinc/36/79/30/213367930.db2.gz YPDNLIIVJHCXNC-UHFFFAOYSA-N 0 0 331.763 3.853 10 0 EHAERN Cc1cc(Nc2ncnc(Nc3cccc4ccc(C)nc43)c2N)no1 ZINC000040680951 213368003 /nfs/dbraw/zinc/36/80/03/213368003.db2.gz FZUOHACUUIDJOZ-UHFFFAOYSA-N 0 0 347.382 3.699 10 0 EHAERN Cc1ccc2nc(Nc3ncnc(NC(C)(C)C)c3N)sc2c1 ZINC000040680611 213368018 /nfs/dbraw/zinc/36/80/18/213368018.db2.gz UKKCASYPERAYGW-UHFFFAOYSA-N 0 0 328.445 3.931 10 0 EHAERN CCN(c1cccc(C)c1)c1ncnc(Nc2ccc(C)cn2)c1N ZINC000040661946 213366401 /nfs/dbraw/zinc/36/64/01/213366401.db2.gz GDGVZELFSFRRSL-UHFFFAOYSA-N 0 0 334.427 3.972 10 0 EHAERN CCn1cc(C(=O)Nc2ccccn2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359658 213293193 /nfs/dbraw/zinc/29/31/93/213293193.db2.gz PWONUEGLMRXJKB-UHFFFAOYSA-N 0 0 341.798 3.631 10 0 EHAERN C=CC(=O)NCCc1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000040203653 213281701 /nfs/dbraw/zinc/28/17/01/213281701.db2.gz MDIVYOZLKDQIAR-DHZHZOJOSA-N 0 0 331.419 3.594 10 0 EHAERN COc1cccc2c(O)c(C(=O)Nc3cccc(Cl)c3C)cnc12 ZINC000039962870 213246041 /nfs/dbraw/zinc/24/60/41/213246041.db2.gz HGTFFERLBRTHRC-UHFFFAOYSA-N 0 0 342.782 3.751 10 0 EHAERN CCOC(=O)CN(C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000038013309 213190533 /nfs/dbraw/zinc/19/05/33/213190533.db2.gz DYMNDIVXBCYOJV-UHFFFAOYSA-N 0 0 333.215 3.799 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCC1)c1ccc(F)c(Br)c1 ZINC000037970751 213177984 /nfs/dbraw/zinc/17/79/84/213177984.db2.gz AINKMXVKUZRPJE-AWEZNQCLSA-N 0 0 344.224 3.725 10 0 EHAERN COC(=O)[C@](C)(NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000037973455 213177572 /nfs/dbraw/zinc/17/75/72/213177572.db2.gz SAEJQDNCSHDGFN-LLVKDONJSA-N 0 0 330.133 3.534 10 0 EHAERN CC[C@H](C)C[C@@](CC)(Nc1cccc(Br)c1)C(N)=O ZINC000037944394 213175335 /nfs/dbraw/zinc/17/53/35/213175335.db2.gz OGBVJJHKNATCKQ-XHDPSFHLSA-N 0 0 327.266 3.931 10 0 EHAERN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)cn2C2CC2)C1 ZINC000036859958 213123500 /nfs/dbraw/zinc/12/35/00/213123500.db2.gz UNKXDMJRGUNFIO-PHIMTYICSA-N 0 0 325.250 3.704 10 0 EHAERN Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1ccc(F)cc1 ZINC000036639044 213106713 /nfs/dbraw/zinc/10/67/13/213106713.db2.gz FQGXLEXQGZWXHE-UHFFFAOYSA-N 0 0 331.734 3.587 10 0 EHAERN Cc1cc(C)c(C)c(OCc2nc(C(=O)N3CCCC3)cs2)c1 ZINC000036084225 213060137 /nfs/dbraw/zinc/06/01/37/213060137.db2.gz PICUULOIDMSODP-UHFFFAOYSA-N 0 0 330.453 3.883 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000035143662 213010383 /nfs/dbraw/zinc/01/03/83/213010383.db2.gz YQKXITWLUPOGHK-UHFFFAOYSA-N 0 0 349.434 3.534 10 0 EHAERN CC[C@@H](C)NC(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1C(C)(C)C ZINC000035542200 213037994 /nfs/dbraw/zinc/03/79/94/213037994.db2.gz CHYNHXSRAYRGHK-LLVKDONJSA-N 0 0 347.438 3.811 10 0 EHAERN COc1cccc2c(C)cc(=O)n(CC(=O)c3ccc(C)c(C)c3)c12 ZINC000032530899 212808379 /nfs/dbraw/zinc/80/83/79/212808379.db2.gz ZXMJDINHHRJQRS-UHFFFAOYSA-N 0 0 335.403 3.818 10 0 EHAERN O=C(N1CCCC1)n1ncc(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072137879 216024537 /nfs/dbraw/zinc/02/45/37/216024537.db2.gz UTTRPEVIXPGSLP-UHFFFAOYSA-N 0 0 334.379 3.801 10 0 EHAERN O=C(c1cccc2ccnn21)N(Cc1ccsc1)Cc1cccnc1 ZINC000072149440 216037149 /nfs/dbraw/zinc/03/71/49/216037149.db2.gz FMIAQKNSEWFAJB-UHFFFAOYSA-N 0 0 348.431 3.633 10 0 EHAERN COc1ccc(CNc2nc(N3CCCC3)nc3ccccc32)cc1 ZINC000072260749 216085894 /nfs/dbraw/zinc/08/58/94/216085894.db2.gz GMKFPUOQPOMGAN-UHFFFAOYSA-N 0 0 334.423 3.851 10 0 EHAERN COc1cc(F)c([C@@H](N)c2ccc(Br)s2)c(F)c1 ZINC000037903179 213172432 /nfs/dbraw/zinc/17/24/32/213172432.db2.gz MILFFPSMZSEAFW-LBPRGKRZSA-N 0 0 334.185 3.846 10 0 EHAERN NC(=O)[C@H](Nc1ccccc1Br)c1ccccc1Cl ZINC000037944087 213175075 /nfs/dbraw/zinc/17/50/75/213175075.db2.gz CHRALXDSWMZSCE-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN CCCN1CN(c2ccc(C)c(C)c2)c2nc(C)c(CC)c(=O)n2C1 ZINC000072442900 216236822 /nfs/dbraw/zinc/23/68/22/216236822.db2.gz BBLIDJLQSACIKA-UHFFFAOYSA-N 0 0 340.471 3.510 10 0 EHAERN COC(=O)CSCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021126011 212209650 /nfs/dbraw/zinc/20/96/50/212209650.db2.gz MOOHVXYZBDEDPZ-UHFFFAOYSA-N 0 0 349.839 3.999 10 0 EHAERN Cc1ccccc1-c1nnc(-c2ccc(NC(=O)[C@@H]3CCCO3)cc2)o1 ZINC000021145048 212211452 /nfs/dbraw/zinc/21/14/52/212211452.db2.gz ZUIKQKIZGVJJTA-KRWDZBQOSA-N 0 0 349.390 3.830 10 0 EHAERN COc1ccc(N)cc1OCc1ccc(F)cc1Br ZINC000019508066 212034794 /nfs/dbraw/zinc/03/47/94/212034794.db2.gz SDKUPCUNNDYKIJ-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN Nc1cc(F)ccc1NC(=O)c1cc(Br)ccc1F ZINC000019430391 212027631 /nfs/dbraw/zinc/02/76/31/212027631.db2.gz DTRQNLYMLJIQLL-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN NC(=S)c1ccccc1OCc1cc(Br)ccc1F ZINC000019478011 212030709 /nfs/dbraw/zinc/03/07/09/212030709.db2.gz USIZHJDVTLGSBH-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN Nc1ccc(F)c(NC(=O)c2ccc(Br)cc2F)c1 ZINC000019425571 212027017 /nfs/dbraw/zinc/02/70/17/212027017.db2.gz DJVSQIGAMZFNJE-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN Cc1nn([C@@H](C)c2ccc(F)c(Cl)c2)c(N)c1Br ZINC000049853189 214034408 /nfs/dbraw/zinc/03/44/08/214034408.db2.gz LZULPWJNCNUWIN-ZETCQYMHSA-N 0 0 332.604 3.938 10 0 EHAERN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc2nsnc2c1 ZINC000012340866 211353285 /nfs/dbraw/zinc/35/32/85/211353285.db2.gz KRXMCVWPNFPUJP-UHFFFAOYSA-N 0 0 336.376 3.907 10 0 EHAERN OCc1ccc(-c2cnc(NCc3cccc(Cl)c3)cn2)cc1 ZINC000090727861 217950659 /nfs/dbraw/zinc/95/06/59/217950659.db2.gz ULFZZBVLXIPLBI-UHFFFAOYSA-N 0 0 325.799 3.901 10 0 EHAERN Cc1cccc(OC[C@H]2CCCN(Cc3nc(C4CC4)no3)C2)c1 ZINC000011874850 211263293 /nfs/dbraw/zinc/26/32/93/211263293.db2.gz ANDZPQWJOWTPMK-HNNXBMFYSA-N 0 0 327.428 3.546 10 0 EHAERN Cc1nnsc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011666532 211230992 /nfs/dbraw/zinc/23/09/92/211230992.db2.gz WUOMSDRFRKTNEC-MRXNPFEDSA-N 0 0 344.484 3.687 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2ccc(Cl)cc2)n1C(=O)CC ZINC000011638090 211228438 /nfs/dbraw/zinc/22/84/38/211228438.db2.gz GSBUFGXJDVSKST-ICFOKQHNSA-N 0 0 338.816 3.801 10 0 EHAERN O=c1[nH]c2c(-c3ccc(Cl)cc3)nnn2c2ccc(Cl)cc12 ZINC000010272737 211159613 /nfs/dbraw/zinc/15/96/13/211159613.db2.gz WUDYKIMAZABFKY-UHFFFAOYSA-N 0 0 331.162 3.545 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccccc2o1 ZINC000095086648 218277411 /nfs/dbraw/zinc/27/74/11/218277411.db2.gz GXBLNRJSBYNFTN-CYBMUJFWSA-N 0 0 332.400 3.996 10 0 EHAERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2o1 ZINC000095075322 218273082 /nfs/dbraw/zinc/27/30/82/218273082.db2.gz KTVURENQRXMKPW-ZDUSSCGKSA-N 0 0 331.416 3.664 10 0 EHAERN Cc1cc(C)nc(OCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089860 218279297 /nfs/dbraw/zinc/27/92/97/218279297.db2.gz DJDAFDKHEXMTNR-HNNXBMFYSA-N 0 0 335.448 3.652 10 0 EHAERN FC(F)(F)c1ccc(I)cc1OC1CC1 ZINC000095734485 218447584 /nfs/dbraw/zinc/44/75/84/218447584.db2.gz IAQWPUWMJXKXHV-UHFFFAOYSA-N 0 0 328.071 3.851 10 0 EHAERN Cc1ccc(-c2cn3c(CC(=O)NC4CCCC4)csc3n2)cc1 ZINC000005147049 210399483 /nfs/dbraw/zinc/39/94/83/210399483.db2.gz DUAALDBRARRSIO-UHFFFAOYSA-N 0 0 339.464 3.973 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3C[C@@H]3c3cccnc3)o2)cc1 ZINC000299743505 258009026 /nfs/dbraw/zinc/00/90/26/258009026.db2.gz NVQIPYDWEVFQTE-XWTMOSNGSA-N 0 0 333.391 3.981 10 0 EHAERN C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccco2)C[C@@H](C)O1 ZINC000121903131 135551845 /nfs/dbraw/zinc/55/18/45/135551845.db2.gz PRAIRNXVTNHKPO-LVQVYYBASA-N 0 0 340.423 3.635 10 0 EHAERN C[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000027871596 524929321 /nfs/dbraw/zinc/92/93/21/524929321.db2.gz CFPZXZJWKHJPQI-ZFWWWQNUSA-N 0 0 332.469 3.693 10 0 EHAERN Cc1csc(-c2cccc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c2)n1 ZINC000041315458 526303870 /nfs/dbraw/zinc/30/38/70/526303870.db2.gz HGGOLBGLGZASCF-IAGOWNOFSA-N 0 0 342.464 3.902 10 0 EHAERN CN(c1cncc(C(F)(F)F)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000211620101 536301415 /nfs/dbraw/zinc/30/14/15/536301415.db2.gz CWFIIGKZWCWBIX-LBPRGKRZSA-N 0 0 345.365 3.546 10 0 EHAERN Cn1ncc(Br)c1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000000116427 563232140 /nfs/dbraw/zinc/23/21/40/563232140.db2.gz UQBJTEOAQQHKDX-UHFFFAOYSA-N 0 0 349.015 3.742 10 0 EHAERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CCOCc1ccccc1 ZINC000285549034 563430431 /nfs/dbraw/zinc/43/04/31/563430431.db2.gz OPYLMBNIMTYDRX-SBHAEUEKSA-N 0 0 345.483 3.526 10 0 EHAERN COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@@H](C)C(=O)[C@@H]2C)cc1 ZINC000013139344 563690910 /nfs/dbraw/zinc/69/09/10/563690910.db2.gz RVYZVGKIODSCSZ-NSMLZSOPSA-N 0 0 339.435 3.931 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000583615476 564018119 /nfs/dbraw/zinc/01/81/19/564018119.db2.gz GYIBONSMGSTHAM-ZLDLUXBVSA-N 0 0 329.375 3.585 10 0 EHAERN Cc1ccc2c(cc3c(=O)n(Cc4ccc(Cl)cc4)nc(C)n32)c1 ZINC000006803367 564033544 /nfs/dbraw/zinc/03/35/44/564033544.db2.gz GLNQDDSYZXMMDP-UHFFFAOYSA-N 0 0 337.810 3.968 10 0 EHAERN O=C(c1ccc(Br)o1)N1Cc2cccn2-c2ccccc21 ZINC000015863566 564077093 /nfs/dbraw/zinc/07/70/93/564077093.db2.gz ASWJTFOYUXDMAA-UHFFFAOYSA-N 0 0 343.180 3.993 10 0 EHAERN CC(C)(C)OC(=O)CC[C@H](C(=O)OC(C)(C)C)C1(O)CCCCC1 ZINC000048523838 564129269 /nfs/dbraw/zinc/12/92/69/564129269.db2.gz SZXUSHYZNNDTLV-CQSZACIVSA-N 0 0 342.476 3.761 10 0 EHAERN COCC[C@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960559 564177126 /nfs/dbraw/zinc/17/71/26/564177126.db2.gz RMNORVQXGDYSRR-HNNXBMFYSA-N 0 0 335.444 3.665 10 0 EHAERN CC(C)(C)OC(=O)NCCCC(=O)CCCOCc1ccccc1 ZINC000405708279 564177589 /nfs/dbraw/zinc/17/75/89/564177589.db2.gz XVSAXORYHVRVOV-UHFFFAOYSA-N 0 0 335.444 3.857 10 0 EHAERN Cn1c(=O)oc2ccc(N[C@@H]3CCCOc4cc(F)ccc43)cc21 ZINC000182217495 1032078694 /nfs/dbraw/zinc/07/86/94/1032078694.db2.gz YNERGQFGJAALDI-CQSZACIVSA-N 0 0 328.343 3.596 10 0 EHAERN O=C([O-])c1ccc(C[NH+]2CCC(C3CC3)CC2)c(Br)c1 ZINC000724691108 978235739 /nfs/dbraw/zinc/23/57/39/978235739.db2.gz PCAHXBTXHYETED-UHFFFAOYSA-N 0 0 338.245 3.769 10 0 EHAERN CC(C)Cn1ncc2cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)cnc21 ZINC000408000371 1016828024 /nfs/dbraw/zinc/82/80/24/1016828024.db2.gz ADAMEKRFBDABDX-QAPCUYQASA-N 0 0 340.471 3.882 10 0 EHAERN c1cc2ncnc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)c2s1 ZINC000275557433 1017040299 /nfs/dbraw/zinc/04/02/99/1017040299.db2.gz HYFLASAVJPOBDV-CQSZACIVSA-N 0 0 325.441 3.635 10 0 EHAERN CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3occc32)cc1F ZINC000183477681 1032174196 /nfs/dbraw/zinc/17/41/96/1032174196.db2.gz UYALPEVMFGXFGK-INIZCTEOSA-N 0 0 344.386 3.674 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000183798220 1032205505 /nfs/dbraw/zinc/20/55/05/1032205505.db2.gz DJLOHXBFSWNGIY-UVARLRKDSA-N 0 0 333.387 3.658 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC3(CCC3)C2)c1C ZINC000184060305 1032267189 /nfs/dbraw/zinc/26/71/89/1032267189.db2.gz SWLLBQHLRQMRRT-UHFFFAOYSA-N 0 0 336.819 3.843 10 0 EHAERN CC[C@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1cccs1 ZINC000184578119 1032299661 /nfs/dbraw/zinc/29/96/61/1032299661.db2.gz NCJVEYUACYSDNR-INIZCTEOSA-N 0 0 344.480 3.892 10 0 EHAERN CSc1cccc(C)c1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000184983049 1032350598 /nfs/dbraw/zinc/35/05/98/1032350598.db2.gz GNKVZIORMLWUQN-CQSZACIVSA-N 0 0 330.457 3.610 10 0 EHAERN O=C(Nc1ccc(Cl)c(F)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000137102474 1032612301 /nfs/dbraw/zinc/61/23/01/1032612301.db2.gz RCYMBXUJBQIMIR-ZDUSSCGKSA-N 0 0 335.766 3.559 10 0 EHAERN C[C@H](C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)c1cccs1 ZINC000176420996 1017369379 /nfs/dbraw/zinc/36/93/79/1017369379.db2.gz WQQLFVHLDXSYFB-UONOGXRCSA-N 0 0 344.484 3.533 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)C[C@H]1O ZINC000091743220 1032720554 /nfs/dbraw/zinc/72/05/54/1032720554.db2.gz UDWQOEDYBHWMDY-CSMYWGQOSA-N 0 0 336.863 3.594 10 0 EHAERN CCCCOCC(=O)N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000377794942 1018390208 /nfs/dbraw/zinc/39/02/08/1018390208.db2.gz NVDBUADJZVYMKR-HXUWFJFHSA-N 0 0 338.407 3.850 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(C(N)=O)cc3F)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333205833 1018824909 /nfs/dbraw/zinc/82/49/09/1018824909.db2.gz IWMBQPPGNKCAGR-VMWDTQKESA-N 0 0 331.391 3.609 10 0 EHAERN C[C@H]1OCCN(C[C@@H]2CCCCC2(F)F)[C@@H]1c1nc(C2CC2)no1 ZINC000408459066 1018911666 /nfs/dbraw/zinc/91/16/66/1018911666.db2.gz WRFYKCDQLWJZAE-XBFCOCLRSA-N 0 0 341.402 3.534 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCCC[C@@H]2CO)cs1 ZINC000333482342 1019726196 /nfs/dbraw/zinc/72/61/96/1019726196.db2.gz SNBPOVVTNCTNIP-UKRRQHHQSA-N 0 0 345.468 3.791 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1cccc(C2CC2)c1 ZINC000333490730 1019762117 /nfs/dbraw/zinc/76/21/17/1019762117.db2.gz IUYKIHZYXBPBPD-NYSBEXSLSA-N 0 0 342.483 3.962 10 0 EHAERN C/C(=C/C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)C1CC1 ZINC000588392270 1020177963 /nfs/dbraw/zinc/17/79/63/1020177963.db2.gz XMNJVHMNGWWFQB-BHEFUSTPSA-N 0 0 336.439 3.534 10 0 EHAERN O=C(/C=C\c1ccncn1)Oc1ccc(Br)cc1Cl ZINC000588435414 1022223980 /nfs/dbraw/zinc/22/39/80/1022223980.db2.gz GZCCMLGIMYTXTM-RQOWECAXSA-N 0 0 339.576 3.511 10 0 EHAERN O=C(/C=C\c1ccncn1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000588435681 1022230656 /nfs/dbraw/zinc/23/06/56/1022230656.db2.gz AGVHEJSNGMNKBU-SREVYHEPSA-N 0 0 348.431 3.741 10 0 EHAERN O=C(c1c(Cl)cccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127817611 1022400655 /nfs/dbraw/zinc/40/06/55/1022400655.db2.gz CSDXLINUXOHDDW-ZBEGNZNMSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(/C=C\c1ccncn1)Oc1ccccc1SC(F)(F)F ZINC000588437769 1022424105 /nfs/dbraw/zinc/42/41/05/1022424105.db2.gz BQBXDBDURFMWOT-WAYWQWQTSA-N 0 0 326.299 3.707 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)NCc1cc(Cl)cc2c1OCC2 ZINC000588442688 1022462442 /nfs/dbraw/zinc/46/24/42/1022462442.db2.gz WPTWJURVUNMMOK-UPHRSURJSA-N 0 0 349.217 3.653 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)CC[C@@H](C)c2ccccc2)[nH]1 ZINC000328750523 1022480415 /nfs/dbraw/zinc/48/04/15/1022480415.db2.gz RGRJPDICRUMNIM-RHSMWYFYSA-N 0 0 326.444 3.751 10 0 EHAERN COc1c(C)cc(CN(C)CC(=O)Nc2c(C)cccc2C)cc1C ZINC000101566509 1022511130 /nfs/dbraw/zinc/51/11/30/1022511130.db2.gz ZBBPDZNUAGMTDB-UHFFFAOYSA-N 0 0 340.467 3.999 10 0 EHAERN CCc1nc(CNC(=O)/C(C)=C\c2ccc(OC)c(F)c2)cs1 ZINC000588445938 1022586279 /nfs/dbraw/zinc/58/62/79/1022586279.db2.gz YQGJGVGLRJUYGC-XFFZJAGNSA-N 0 0 334.416 3.573 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCc1ccc(Br)cc1 ZINC000588453098 1023037474 /nfs/dbraw/zinc/03/74/74/1023037474.db2.gz NMKHWLIHZNVCRC-HJWRWDBZSA-N 0 0 345.240 3.525 10 0 EHAERN Cc1cnn(-c2ccc(C)cc2NC(=O)/C=C\c2ncccc2C)c1 ZINC000588453601 1023041054 /nfs/dbraw/zinc/04/10/54/1023041054.db2.gz WIXHVBWPNUJVFK-CLFYSBASSA-N 0 0 332.407 3.844 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1csc(-c2ccccn2)n1 ZINC000588455241 1023061483 /nfs/dbraw/zinc/06/14/83/1023061483.db2.gz LBBMOPPMJQVOPE-FPLPWBNLSA-N 0 0 337.404 3.665 10 0 EHAERN CCc1cccc2c(CCNC(=O)/C=C\c3ncccc3C)c[nH]c21 ZINC000588455434 1023070255 /nfs/dbraw/zinc/07/02/55/1023070255.db2.gz VEYMANHKTDVLIU-KTKRTIGZSA-N 0 0 333.435 3.806 10 0 EHAERN Cc1cc(Br)c(O)c(NC(=O)/C=C\c2ncccc2C)c1 ZINC000588455919 1023073834 /nfs/dbraw/zinc/07/38/34/1023073834.db2.gz FFOWWGPKTWLWLG-WAYWQWQTSA-N 0 0 347.212 3.818 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1ccc(F)c(Cl)c1 ZINC000333890441 1023194722 /nfs/dbraw/zinc/19/47/22/1023194722.db2.gz WYXSLRWVGCCKRH-DGCLKSJQSA-N 0 0 340.826 3.629 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CCO)c1ccc(C(C)(C)C)cc1 ZINC000190347265 1023278374 /nfs/dbraw/zinc/27/83/74/1023278374.db2.gz ZPABNKABLATYIO-YXJHDRRASA-N 0 0 332.488 3.895 10 0 EHAERN O=C(Nc1cc(Cl)ccc1F)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000080738747 1023280717 /nfs/dbraw/zinc/28/07/17/1023280717.db2.gz GTPLFTDLRMKUPR-ZFWWWQNUSA-N 0 0 336.798 3.981 10 0 EHAERN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190308362 1023281208 /nfs/dbraw/zinc/28/12/08/1023281208.db2.gz MILFVWRLVWZRLF-BDJLRTHQSA-N 0 0 328.412 3.684 10 0 EHAERN Cc1csc2ncc(-c3nc(C4C[C@H](C)C[C@@H](C)C4)no3)c(=O)n12 ZINC000329646690 1023974961 /nfs/dbraw/zinc/97/49/61/1023974961.db2.gz DQCAITKBDKEKRE-NXEZZACHSA-N 0 0 344.440 3.654 10 0 EHAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000329651549 1023985636 /nfs/dbraw/zinc/98/56/36/1023985636.db2.gz KVGVHDLMLFVNKL-QGPMSJSTSA-N 0 0 342.439 3.943 10 0 EHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000588613331 1033179665 /nfs/dbraw/zinc/17/96/65/1033179665.db2.gz MDCLBHLZOQORFQ-HIJJYWJESA-N 0 0 326.223 3.834 10 0 EHAERN CC(C)CO[C@@H](C)c1noc(CN2NC(=O)CC23CCCCC3)n1 ZINC000329668389 1024024289 /nfs/dbraw/zinc/02/42/89/1024024289.db2.gz LUUGCKLYSGYIMS-ZDUSSCGKSA-N 0 0 336.436 3.583 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000133965505 1024071126 /nfs/dbraw/zinc/07/11/26/1024071126.db2.gz MCHGAZSXFFOWIN-GOEBONIOSA-N 0 0 341.459 3.605 10 0 EHAERN Cn1nccc1[C@H]1CCCCN1C(=O)N[C@H]1CCCc2ccccc21 ZINC000280914323 1024430499 /nfs/dbraw/zinc/43/04/99/1024430499.db2.gz DOGHLYLZOVXMPC-PKOBYXMFSA-N 0 0 338.455 3.734 10 0 EHAERN CC(C)c1csc([C@@H]2CCCN(Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330301472 1024595108 /nfs/dbraw/zinc/59/51/08/1024595108.db2.gz IZSOHYMZSGJYGV-CYBMUJFWSA-N 0 0 333.505 3.888 10 0 EHAERN Cc1cccnc1/C=C\C(=O)N1Cc2cccc(Br)c2C1 ZINC000588491111 1024676054 /nfs/dbraw/zinc/67/60/54/1024676054.db2.gz QLLMZSNSQYYEBQ-FPLPWBNLSA-N 0 0 343.224 3.708 10 0 EHAERN COc1cccc(F)c1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000186261122 1024702730 /nfs/dbraw/zinc/70/27/30/1024702730.db2.gz IZJRKMHKZBJNDR-LLVKDONJSA-N 0 0 335.404 3.702 10 0 EHAERN CCSc1ccc(Cl)cc1NC(=O)NCCc1nc(C)no1 ZINC000105048451 1024881752 /nfs/dbraw/zinc/88/17/52/1024881752.db2.gz RHZOUSZTNQSPNH-UHFFFAOYSA-N 0 0 340.836 3.508 10 0 EHAERN Cc1cc2[nH]c(C(=O)N3CCC(Cc4ncc[nH]4)CC3)cc2c(C)c1 ZINC000329153453 1025629673 /nfs/dbraw/zinc/62/96/73/1025629673.db2.gz BPZYPPCZWTVCIR-UHFFFAOYSA-N 0 0 336.439 3.603 10 0 EHAERN CC(C)C[C@H]1C(=O)NCCCN1C(=O)[C@H](C)OC1CCCCCC1 ZINC000329258189 1025698298 /nfs/dbraw/zinc/69/82/98/1025698298.db2.gz CGSSPSHKBSRBJK-RDJZCZTQSA-N 0 0 338.492 3.718 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)no1 ZINC000329265297 1025705843 /nfs/dbraw/zinc/70/58/43/1025705843.db2.gz FTOLWNMINGACNN-OTWHNJEPSA-N 0 0 347.418 3.998 10 0 EHAERN O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000121790952 1025776457 /nfs/dbraw/zinc/77/64/57/1025776457.db2.gz QDTVGBSZIKCDCR-UONOGXRCSA-N 0 0 339.313 3.641 10 0 EHAERN CC(C)(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]32)n(-c2ccccn2)n1 ZINC000329399990 1025813255 /nfs/dbraw/zinc/81/32/55/1025813255.db2.gz AYMVQVQEAKZBME-KBPBESRZSA-N 0 0 339.443 3.581 10 0 EHAERN O=C(NCc1cc(F)cc(Br)c1)[C@@H]1C[C@H]1c1ccco1 ZINC000121961831 1026064182 /nfs/dbraw/zinc/06/41/82/1026064182.db2.gz MEJZKTFZCXMFHM-CHWSQXEVSA-N 0 0 338.176 3.601 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3nc(C)cs3)C2)cc1 ZINC000122123309 1026247504 /nfs/dbraw/zinc/24/75/04/1026247504.db2.gz BVGTWRPMIMDGTJ-ZFWWWQNUSA-N 0 0 345.468 3.548 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)on3)C2)cc1 ZINC000122469871 1026472399 /nfs/dbraw/zinc/47/23/99/1026472399.db2.gz JGLCCYAKCCWSMP-DZGCQCFKSA-N 0 0 328.412 3.825 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(F)c(F)c3F)CCO2)o1 ZINC000152942416 1026873545 /nfs/dbraw/zinc/87/35/45/1026873545.db2.gz RJFUUJJLOAHGFF-ZDUSSCGKSA-N 0 0 340.301 3.611 10 0 EHAERN CCCc1csc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n1 ZINC000127143349 1027279010 /nfs/dbraw/zinc/27/90/10/1027279010.db2.gz FVTOTSYGNHHBCO-CYBMUJFWSA-N 0 0 347.465 3.537 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cncc(-c4ccccc4)c3)CCO2)o1 ZINC000127358671 1027300190 /nfs/dbraw/zinc/30/01/90/1027300190.db2.gz GQDRVKRNDKUFJI-FQEVSTJZSA-N 0 0 348.402 3.864 10 0 EHAERN Fc1ccccc1C1=CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000127756479 1027349054 /nfs/dbraw/zinc/34/90/54/1027349054.db2.gz JKTLQAXMIBRYFE-UHFFFAOYSA-N 0 0 325.343 3.758 10 0 EHAERN CN(C)c1cccc(NC(=O)N2CC=C(c3ccccc3F)CC2)n1 ZINC000129025427 1027511973 /nfs/dbraw/zinc/51/19/73/1027511973.db2.gz PENDSQHOXKEAQC-UHFFFAOYSA-N 0 0 340.402 3.608 10 0 EHAERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)c1nccs1 ZINC000246132757 1027800588 /nfs/dbraw/zinc/80/05/88/1027800588.db2.gz ACRKZQRVEYFXQP-UKRRQHHQSA-N 0 0 344.484 3.644 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cnccc1OC(C)(C)C ZINC000131820924 1027826308 /nfs/dbraw/zinc/82/63/08/1027826308.db2.gz VJEQGJOOLWRRNT-SJKOYZFVSA-N 0 0 326.396 3.762 10 0 EHAERN Cn1cc([C@H]2CCCN2Cc2cccn2Cc2cccs2)cn1 ZINC000131818619 1027826798 /nfs/dbraw/zinc/82/67/98/1027826798.db2.gz AQAXKDAXWZABFF-GOSISDBHSA-N 0 0 326.469 3.669 10 0 EHAERN CCOc1cccc(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000132042777 1027855020 /nfs/dbraw/zinc/85/50/20/1027855020.db2.gz ZVHXKUUPXLTTFQ-UHFFFAOYSA-N 0 0 345.468 3.937 10 0 EHAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000078476710 1027861490 /nfs/dbraw/zinc/86/14/90/1027861490.db2.gz JXOPGBVQAFEDMZ-IRXDYDNUSA-N 0 0 341.455 3.577 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccccc3C)CC2)n1 ZINC000132516818 1027932331 /nfs/dbraw/zinc/93/23/31/1027932331.db2.gz ASDYOHUYIJUFQM-UXHICEINSA-N 0 0 349.478 3.587 10 0 EHAERN CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000246203609 1027968507 /nfs/dbraw/zinc/96/85/07/1027968507.db2.gz MQGJJADYJYAHSE-XUVXKRRUSA-N 0 0 349.434 3.519 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)CCOc3ccccc3)CCO2)o1 ZINC000133348198 1028022784 /nfs/dbraw/zinc/02/27/84/1028022784.db2.gz WMNPEGKUEJJEDF-KXBFYZLASA-N 0 0 343.423 3.593 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H]3SCCc4sccc43)CCO2)o1 ZINC000133347496 1028022862 /nfs/dbraw/zinc/02/28/62/1028022862.db2.gz PCYXPUXVKFBKQV-ZBFHGGJFSA-N 0 0 349.477 3.580 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C(C)(C)c3ccccc3F)CCO2)o1 ZINC000133530215 1028042122 /nfs/dbraw/zinc/04/21/22/1028042122.db2.gz SXTMVCHDQWGSDP-QGZVFWFLSA-N 0 0 331.387 3.605 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)CCO2)o1 ZINC000133653605 1028052387 /nfs/dbraw/zinc/05/23/87/1028052387.db2.gz MORNVTQRGIOETR-XUWXXGDYSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(OC(C)(C)C)cc3)CCO2)o1 ZINC000133826174 1028071214 /nfs/dbraw/zinc/07/12/14/1028071214.db2.gz SCDBBTDPABKMCI-GOSISDBHSA-N 0 0 343.423 3.979 10 0 EHAERN CC1(C)CCc2sc(NC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)nc21 ZINC000333581202 1028097271 /nfs/dbraw/zinc/09/72/71/1028097271.db2.gz UFGIPRLHWCZXIJ-KPZWWZAWSA-N 0 0 349.500 3.526 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C)cn2)cc1 ZINC000053828021 1028207586 /nfs/dbraw/zinc/20/75/86/1028207586.db2.gz MWMSATUCZTYBOS-KRWDZBQOSA-N 0 0 342.464 3.854 10 0 EHAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CC=C(c2ccccc2F)CC1 ZINC000137355498 1028310659 /nfs/dbraw/zinc/31/06/59/1028310659.db2.gz FZSLAPJWGMWFJG-UHFFFAOYSA-N 0 0 348.381 3.540 10 0 EHAERN Cc1ccc2cccc(NC(=O)N3CC[C@H](Oc4cccnc4)C3)c2n1 ZINC000137410858 1028312258 /nfs/dbraw/zinc/31/22/58/1028312258.db2.gz ATRRBRDQHFCZCI-KRWDZBQOSA-N 0 0 348.406 3.623 10 0 EHAERN COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246392716 1028316282 /nfs/dbraw/zinc/31/62/82/1028316282.db2.gz DTDVSWRGYBQGHN-GFWSLJDESA-N 0 0 344.238 3.545 10 0 EHAERN O=Cc1ccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000066630090 1028335533 /nfs/dbraw/zinc/33/55/33/1028335533.db2.gz ZQXIHSQJIFXDEA-UHFFFAOYSA-N 0 0 331.318 3.694 10 0 EHAERN CC(C)Cc1nc(C(=O)N2CCC[C@@H](c3nccs3)C2)cs1 ZINC000067046487 1028352440 /nfs/dbraw/zinc/35/24/40/1028352440.db2.gz FKEDETSIHKGDMB-GFCCVEGCSA-N 0 0 335.498 3.818 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000067047938 1028355307 /nfs/dbraw/zinc/35/53/07/1028355307.db2.gz HPDBHOVUGDITOZ-CYBMUJFWSA-N 0 0 348.493 3.882 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2oc3ccccc3c2C)c2ccccc2)[nH]1 ZINC000057797498 1028372559 /nfs/dbraw/zinc/37/25/59/1028372559.db2.gz RUJCZWJIUKAUBL-QGZVFWFLSA-N 0 0 346.390 3.687 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000067834599 1028378909 /nfs/dbraw/zinc/37/89/09/1028378909.db2.gz LGCJAIBVVRLPDA-CQSZACIVSA-N 0 0 342.443 3.520 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000068291388 1028393102 /nfs/dbraw/zinc/39/31/02/1028393102.db2.gz LATNRMIBDLPEKB-KUHUBIRLSA-N 0 0 341.382 3.769 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2cccc3ccccc32)c2ccccc2)[nH]1 ZINC000068365117 1028396104 /nfs/dbraw/zinc/39/61/04/1028396104.db2.gz IELIDNWJMNBQSX-IBGZPJMESA-N 0 0 342.402 3.786 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@H](C)c3ccncc3)nc2c1 ZINC000140050654 1028399316 /nfs/dbraw/zinc/39/93/16/1028399316.db2.gz WJKWYEOUFKREIY-KDOFPFPSSA-N 0 0 349.438 3.874 10 0 EHAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)/C=C(/C)C1CC1 ZINC000588562164 1028422930 /nfs/dbraw/zinc/42/29/30/1028422930.db2.gz MCFFNBAPMBAKSC-HIJJYWJESA-N 0 0 338.245 3.991 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000246433560 1028502608 /nfs/dbraw/zinc/50/26/08/1028502608.db2.gz OBQRDGPMZJFNKU-QWFCFKBJSA-N 0 0 343.467 3.641 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCCC3(C)C)CC2)nc1 ZINC000194358779 1028509304 /nfs/dbraw/zinc/50/93/04/1028509304.db2.gz MTAZQZKISIJSCP-KRWDZBQOSA-N 0 0 329.488 3.691 10 0 EHAERN CCCCCS(=O)(=O)Nc1cc(-c2nc(CC)no2)ccc1C ZINC000194643213 1028530123 /nfs/dbraw/zinc/53/01/23/1028530123.db2.gz ZQCNIWVGYLEPFF-UHFFFAOYSA-N 0 0 337.445 3.539 10 0 EHAERN O=C(c1ccc2c(n1)CCCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000333600259 1028537851 /nfs/dbraw/zinc/53/78/51/1028537851.db2.gz YKPYRMDFKXAEDK-LJQANCHMSA-N 0 0 346.434 3.814 10 0 EHAERN CC[C@]1(C)C[C@H]1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000246463524 1028585238 /nfs/dbraw/zinc/58/52/38/1028585238.db2.gz GANDJBKUEQVSCE-LDBYXDLTSA-N 0 0 340.467 3.566 10 0 EHAERN COc1cccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C)n2)c1 ZINC000074201090 1028603378 /nfs/dbraw/zinc/60/33/78/1028603378.db2.gz UNAVVCGWJLJBLS-RYUDHWBXSA-N 0 0 346.431 3.540 10 0 EHAERN CCC1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000074386010 1028612332 /nfs/dbraw/zinc/61/23/32/1028612332.db2.gz NFLGZXLQOFXJBQ-UHFFFAOYSA-N 0 0 348.512 3.685 10 0 EHAERN c1csc([C@@H]2CCCN(Cc3nc(-c4ccsc4)no3)C2)n1 ZINC000195348203 1028634701 /nfs/dbraw/zinc/63/47/01/1028634701.db2.gz MGZJSIDGXOOTTI-LLVKDONJSA-N 0 0 332.454 3.634 10 0 EHAERN c1csc([C@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000195350841 1028636502 /nfs/dbraw/zinc/63/65/02/1028636502.db2.gz XESHGGFZBXTFRI-AWEZNQCLSA-N 0 0 326.425 3.573 10 0 EHAERN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)[C@@H](c2ccccc2)CO1 ZINC000246512874 1028644376 /nfs/dbraw/zinc/64/43/76/1028644376.db2.gz GSTYYPGNUQAUQL-UXIGCNINSA-N 0 0 328.239 3.559 10 0 EHAERN CN(Cc1cc(Cl)cn1C)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246787992 1028692760 /nfs/dbraw/zinc/69/27/60/1028692760.db2.gz ZSUFFDXOPMXMHG-RCCFBDPRSA-N 0 0 343.858 3.548 10 0 EHAERN O=C(Nc1ccc(N2CCCC2)c(F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246871729 1028706766 /nfs/dbraw/zinc/70/67/66/1028706766.db2.gz DJJUFBNEIFKUFB-LESCRADOSA-N 0 0 347.434 3.505 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000246963915 1028719985 /nfs/dbraw/zinc/71/99/85/1028719985.db2.gz KTPUXPYTNJDJGI-CMKODMSKSA-N 0 0 339.410 3.838 10 0 EHAERN COc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c(C)c1 ZINC000153884070 1028865713 /nfs/dbraw/zinc/86/57/13/1028865713.db2.gz FPHHZIHFHYYGKL-QGZVFWFLSA-N 0 0 330.384 3.510 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000248445425 1028904077 /nfs/dbraw/zinc/90/40/77/1028904077.db2.gz DWFTUUNUKHLYPB-PBFPGSCMSA-N 0 0 341.455 3.543 10 0 EHAERN CSc1c(F)cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1F ZINC000248453266 1028911047 /nfs/dbraw/zinc/91/10/47/1028911047.db2.gz LBGPVIOTQWIORV-CUOATXAZSA-N 0 0 342.411 3.622 10 0 EHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000245622649 1028934956 /nfs/dbraw/zinc/93/49/56/1028934956.db2.gz BYAKGQHNFJDBQA-VQIMIIECSA-N 0 0 343.515 3.625 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)N1CCC(c2ccsc2)CC1 ZINC000249151720 1028993727 /nfs/dbraw/zinc/99/37/27/1028993727.db2.gz XTOYIGISXVFOTP-GVDBMIGSSA-N 0 0 334.485 3.595 10 0 EHAERN Cc1ccsc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245694986 1029022700 /nfs/dbraw/zinc/02/27/00/1029022700.db2.gz PNOLWFCBQPYJSU-GJZGRUSLSA-N 0 0 336.407 3.510 10 0 EHAERN Cc1nn(C)cc1N[C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000250136561 1029046553 /nfs/dbraw/zinc/04/65/53/1029046553.db2.gz YEVNCFQKZMNSAP-ZMSDIMECSA-N 0 0 348.491 3.709 10 0 EHAERN CCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252736374 1029231967 /nfs/dbraw/zinc/23/19/67/1029231967.db2.gz UPOYLVBBCDOPRW-XYJFISCASA-N 0 0 334.504 3.595 10 0 EHAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155499491 1029556066 /nfs/dbraw/zinc/55/60/66/1029556066.db2.gz BYQFTQGQYGOREZ-GDBMZVCRSA-N 0 0 335.517 3.937 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)c1cc2c(s1)CCC2 ZINC000156047722 1029729510 /nfs/dbraw/zinc/72/95/10/1029729510.db2.gz XVYNIXCZWWIMKJ-UHFFFAOYSA-N 0 0 332.494 3.697 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cccc4cc[nH]c43)CC2)n1 ZINC000079925328 1029764937 /nfs/dbraw/zinc/76/49/37/1029764937.db2.gz POOMYJZYTIPEKE-UHFFFAOYSA-N 0 0 325.437 3.953 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3cccc(Cl)c3F)CC2)nc1 ZINC000156254686 1029787922 /nfs/dbraw/zinc/78/79/22/1029787922.db2.gz VLXGDJWKVACEAB-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN O=C(NCCCc1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000114818651 1029844946 /nfs/dbraw/zinc/84/49/46/1029844946.db2.gz LPJGFBLSCVCMPI-INIZCTEOSA-N 0 0 329.469 3.665 10 0 EHAERN CC(C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000246160738 1030374844 /nfs/dbraw/zinc/37/48/44/1030374844.db2.gz QWUWOBUOIGEIBH-CPUCHLNUSA-N 0 0 346.496 3.821 10 0 EHAERN C[C@@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)C(C)(C)C ZINC000114967456 1030474667 /nfs/dbraw/zinc/47/46/67/1030474667.db2.gz XDHIWOBNWISIID-CYBMUJFWSA-N 0 0 328.460 3.887 10 0 EHAERN FC(F)(F)c1cc(CN2CCC(n3cncn3)CC2)ccc1Cl ZINC000092648131 1030494176 /nfs/dbraw/zinc/49/41/76/1030494176.db2.gz LWVOWYLIJISBJK-UHFFFAOYSA-N 0 0 344.768 3.787 10 0 EHAERN Clc1nc2ccccn2c1CN1CCC[C@@H](c2nccs2)C1 ZINC000092788520 1030520220 /nfs/dbraw/zinc/52/02/20/1030520220.db2.gz LZIVPHBIDUWYNL-GFCCVEGCSA-N 0 0 332.860 3.824 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cn(-c4ccccc4)nc3C)CCO2)o1 ZINC000093864649 1030686725 /nfs/dbraw/zinc/68/67/25/1030686725.db2.gz WJIMAUWXQGOVJO-FQEVSTJZSA-N 0 0 337.423 3.656 10 0 EHAERN O=C(c1ccc(Br)o1)N1CCC(Cc2ccccn2)CC1 ZINC000171615630 1030766450 /nfs/dbraw/zinc/76/64/50/1030766450.db2.gz LSONFMDPUDACAY-UHFFFAOYSA-N 0 0 349.228 3.532 10 0 EHAERN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nccs2)C1 ZINC000171646983 1030771744 /nfs/dbraw/zinc/77/17/44/1030771744.db2.gz NUQBIFPXIQZWRT-ZDUSSCGKSA-N 0 0 325.437 3.573 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)CC2)nc1 ZINC000157705588 1030784176 /nfs/dbraw/zinc/78/41/76/1030784176.db2.gz FPRNKTFPCZDDSC-VQTJNVASSA-N 0 0 349.478 3.587 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)CC/C=C/c3ccccc3)CC2)nc1 ZINC000157714767 1030794468 /nfs/dbraw/zinc/79/44/68/1030794468.db2.gz MKVJUUHRDYTJGR-WEVVVXLNSA-N 0 0 349.478 3.969 10 0 EHAERN CCOc1ccc(CC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171611636 1030801042 /nfs/dbraw/zinc/80/10/42/1030801042.db2.gz JUNZSGUIDMZGIE-UHFFFAOYSA-N 0 0 338.451 3.504 10 0 EHAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000171721767 1030812436 /nfs/dbraw/zinc/81/24/36/1030812436.db2.gz RCSQNOTZMYMBLM-MRVPVSSYSA-N 0 0 330.240 3.798 10 0 EHAERN O=C(CCCOc1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171724234 1030812835 /nfs/dbraw/zinc/81/28/35/1030812835.db2.gz MJXJJXIZFCIBJX-AWEZNQCLSA-N 0 0 348.443 3.847 10 0 EHAERN O=C(COc1ccc(F)cc1F)N1CC=C(c2cccs2)CC1 ZINC000172092720 1030831070 /nfs/dbraw/zinc/83/10/70/1030831070.db2.gz YDQBQLMGGNMDOX-UHFFFAOYSA-N 0 0 335.375 3.721 10 0 EHAERN O=C(NCc1ccc(Cl)s1)N1CCC(Cc2ccccn2)CC1 ZINC000171901834 1030847895 /nfs/dbraw/zinc/84/78/95/1030847895.db2.gz DUFGDIIWTDJOCM-UHFFFAOYSA-N 0 0 349.887 3.961 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000172039574 1030864929 /nfs/dbraw/zinc/86/49/29/1030864929.db2.gz ZJUXQEZWTZGNTH-ZUZCIYMTSA-N 0 0 325.393 3.641 10 0 EHAERN Cc1csc(C2CCN(Cc3noc(-c4ccsc4)n3)CC2)n1 ZINC000157819044 1030883553 /nfs/dbraw/zinc/88/35/53/1030883553.db2.gz LYAQNPBOSBDTPT-UHFFFAOYSA-N 0 0 346.481 3.943 10 0 EHAERN Cc1nnc([C@@H](NC(=O)C[C@@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000116189173 1031017870 /nfs/dbraw/zinc/01/78/70/1031017870.db2.gz LVEIBSDSVHVGNZ-QRWLVFNGSA-N 0 0 348.450 3.821 10 0 EHAERN O=C(c1c(F)cc(F)cc1F)N1CCC(Cc2ccccn2)CC1 ZINC000172911652 1031028593 /nfs/dbraw/zinc/02/85/93/1031028593.db2.gz DISDVFLYIIFRLZ-UHFFFAOYSA-N 0 0 334.341 3.594 10 0 EHAERN Cc1nccn1CCCCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000173429876 1031089042 /nfs/dbraw/zinc/08/90/42/1031089042.db2.gz GBNGRLBNKXWHCC-UHFFFAOYSA-N 0 0 344.484 3.532 10 0 EHAERN O=C(c1cc2cc(F)ccc2oc1=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000173759773 1031106456 /nfs/dbraw/zinc/10/64/56/1031106456.db2.gz AVCOYMLCHFPWJH-HXUWFJFHSA-N 0 0 341.382 3.895 10 0 EHAERN Cc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(C)n1 ZINC000174087178 1031162359 /nfs/dbraw/zinc/16/23/59/1031162359.db2.gz PYPSUHBCMFGBRX-UHFFFAOYSA-N 0 0 327.403 3.554 10 0 EHAERN CSc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)ccn1 ZINC000174073294 1031164801 /nfs/dbraw/zinc/16/48/01/1031164801.db2.gz CDCJOVKFTLZBAQ-UHFFFAOYSA-N 0 0 345.443 3.659 10 0 EHAERN Cc1cc2cc(NC(=O)N[C@H]3CCCC[C@H]3n3cccn3)ccc2[nH]1 ZINC000174366769 1031203338 /nfs/dbraw/zinc/20/33/38/1031203338.db2.gz RCAZSBDSNUKFJT-ZWKOTPCHSA-N 0 0 337.427 3.978 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3c3ccncc3)nc21 ZINC000175282687 1031319610 /nfs/dbraw/zinc/31/96/10/1031319610.db2.gz NNBBQKRKHLPGGW-QGZVFWFLSA-N 0 0 334.423 3.563 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CCCSC(C)(C)C ZINC000158444595 1031354270 /nfs/dbraw/zinc/35/42/70/1031354270.db2.gz MIRZMAIFEQTNFM-CYBMUJFWSA-N 0 0 338.521 3.665 10 0 EHAERN Cc1nc(CCCC(=O)N2CCC[C@@H](c3nccs3)C2)cs1 ZINC000176185245 1031392058 /nfs/dbraw/zinc/39/20/58/1031392058.db2.gz LZGJMFLMOHRDKA-CYBMUJFWSA-N 0 0 335.498 3.637 10 0 EHAERN O=c1cc(N2CCC[C@@H]2c2cccc(Cl)c2)nc2ccccn12 ZINC000176804133 1031487551 /nfs/dbraw/zinc/48/75/51/1031487551.db2.gz NLEOONARFUKHIQ-OAHLLOKOSA-N 0 0 325.799 3.689 10 0 EHAERN Cc1ccc([C@H]2CN([C@@H](C)c3nc(-c4ccccc4)no3)CCO2)o1 ZINC000158603300 1031490615 /nfs/dbraw/zinc/49/06/15/1031490615.db2.gz PGLXJDMALRRTCV-WMLDXEAASA-N 0 0 339.395 3.773 10 0 EHAERN O=c1cc(N2CCC[C@H]2c2ccccc2Cl)nc2ccccn12 ZINC000176804401 1031491677 /nfs/dbraw/zinc/49/16/77/1031491677.db2.gz KJLQOEJAQADPEK-HNNXBMFYSA-N 0 0 325.799 3.689 10 0 EHAERN CC1CCN(c2cccc(NC(=O)c3ncncc3Cl)c2)CC1 ZINC000176898826 1031501236 /nfs/dbraw/zinc/50/12/36/1031501236.db2.gz ZQZJYEPYFOHABC-UHFFFAOYSA-N 0 0 330.819 3.619 10 0 EHAERN Cc1nnc([C@H](NC(=O)CC[C@@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000158837988 1031669767 /nfs/dbraw/zinc/66/97/67/1031669767.db2.gz XKTMRSGJSPDZMT-FOIQADDNSA-N 0 0 348.450 3.903 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3nc(C4CC4)cs3)CCO2)o1 ZINC000178942103 1031723204 /nfs/dbraw/zinc/72/32/04/1031723204.db2.gz IDQCXZPXZBMLPW-CQSZACIVSA-N 0 0 333.413 3.527 10 0 EHAERN CCCc1nc(C)c(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)s1 ZINC000179340728 1031769044 /nfs/dbraw/zinc/76/90/44/1031769044.db2.gz MQEXEAZWVZAVOY-CQSZACIVSA-N 0 0 334.441 3.519 10 0 EHAERN CCN(CCc1nccs1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179512622 1031782978 /nfs/dbraw/zinc/78/29/78/1031782978.db2.gz GMSYBBFMPAFZQC-UHFFFAOYSA-N 0 0 341.440 3.630 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117653742 1031787188 /nfs/dbraw/zinc/78/71/88/1031787188.db2.gz VEKYBFQYIDRXCM-ORAYPTAESA-N 0 0 341.407 3.986 10 0 EHAERN CN1CC[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)c2ccccc21 ZINC000179934764 1031820945 /nfs/dbraw/zinc/82/09/45/1031820945.db2.gz GEBMMEJCKJCGGD-GOSISDBHSA-N 0 0 347.462 3.840 10 0 EHAERN COc1cc(CN[C@@H](c2cccc(C)c2)c2ccccn2)ccc1O ZINC000180169644 1031863836 /nfs/dbraw/zinc/86/38/36/1031863836.db2.gz IOVPUEZNAUVTSI-NRFANRHFSA-N 0 0 334.419 3.983 10 0 EHAERN C[C@H](C(=O)NCc1cccs1)N1CC=C(c2cccs2)CC1 ZINC000117894946 1031920055 /nfs/dbraw/zinc/92/00/55/1031920055.db2.gz POPLFKIHEZCFBB-CYBMUJFWSA-N 0 0 332.494 3.604 10 0 EHAERN Cc1cc(C)c(C(=O)N2CCC[C@H](c3nccs3)C2)c(Cl)n1 ZINC000181928529 1032046050 /nfs/dbraw/zinc/04/60/50/1032046050.db2.gz DYZWGZBBXSSPKW-LBPRGKRZSA-N 0 0 335.860 3.828 10 0 EHAERN CC[C@H](NC(=O)N(C)CCc1ccccc1OC)c1nc(C)cs1 ZINC000105303528 1033431313 /nfs/dbraw/zinc/43/13/13/1033431313.db2.gz LXOZWIOKXSZDCQ-HNNXBMFYSA-N 0 0 347.484 3.795 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)C1(c2cccc(F)c2)CCC1 ZINC000101525523 1033740527 /nfs/dbraw/zinc/74/05/27/1033740527.db2.gz PBXWAXIIDBPXAK-UHFFFAOYSA-N 0 0 337.354 3.936 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1c[nH]nc1-c1ccccc1F ZINC000087239922 1034123643 /nfs/dbraw/zinc/12/36/43/1034123643.db2.gz WAAKUNUCMIJKGG-UHFFFAOYSA-N 0 0 349.325 3.518 10 0 EHAERN Cc1c(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)oc2c1C(=O)CCC2 ZINC000298720752 1034483010 /nfs/dbraw/zinc/48/30/10/1034483010.db2.gz KXBQJVNAVMMPCM-MNOVXSKESA-N 0 0 343.345 3.958 10 0 EHAERN Cc1c(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)oc2c1C(=O)CCC2 ZINC000298720758 1034487076 /nfs/dbraw/zinc/48/70/76/1034487076.db2.gz KXBQJVNAVMMPCM-WDEREUQCSA-N 0 0 343.345 3.958 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3n[nH]c4ccccc43)C2)cc1 ZINC000121270806 1034619577 /nfs/dbraw/zinc/61/95/77/1034619577.db2.gz IFYGTPAAUMIMOI-HIFRSBDPSA-N 0 0 335.407 3.590 10 0 EHAERN CCOc1ccc2c(c1)[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)CCO2 ZINC000185622415 1035504907 /nfs/dbraw/zinc/50/49/07/1035504907.db2.gz KGVKVJQSVYBPQW-WFASDCNBSA-N 0 0 344.238 3.609 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCCOC2CCCC2)cs1 ZINC000186497737 1035643600 /nfs/dbraw/zinc/64/36/00/1035643600.db2.gz MMDKHBRAAKDDBV-INIZCTEOSA-N 0 0 337.489 3.647 10 0 EHAERN C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186573338 1035660062 /nfs/dbraw/zinc/66/00/62/1035660062.db2.gz VLRXXPLZNHNRCT-SWLSCSKDSA-N 0 0 330.432 3.706 10 0 EHAERN CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186570822 1035660637 /nfs/dbraw/zinc/66/06/37/1035660637.db2.gz QGTYPIDEYLTXML-UHFFFAOYSA-N 0 0 338.411 3.718 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(Cc1cccnc1)C1CC1 ZINC000188615650 1035962845 /nfs/dbraw/zinc/96/28/45/1035962845.db2.gz OFYHJZNVFCUQSM-SFHVURJKSA-N 0 0 337.423 3.588 10 0 EHAERN Cc1cc(F)cc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000189194522 1036029212 /nfs/dbraw/zinc/02/92/12/1036029212.db2.gz RHWPWDONALVQHZ-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN CCc1onc(C)c1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189642246 1036105106 /nfs/dbraw/zinc/10/51/06/1036105106.db2.gz VGALWZLUKFCOJJ-GFCCVEGCSA-N 0 0 334.366 3.843 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000189646721 1036105817 /nfs/dbraw/zinc/10/58/17/1036105817.db2.gz JWWWNYNAZOSESO-IBGZPJMESA-N 0 0 346.434 3.908 10 0 EHAERN O=C(Cc1ccc(O)cc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189644085 1036106398 /nfs/dbraw/zinc/10/63/98/1036106398.db2.gz HPTUTYCELITDFB-AWEZNQCLSA-N 0 0 331.362 3.619 10 0 EHAERN CC[C@@H](NC(=O)N[C@@H]1CCCc2c(O)cccc21)c1c(C)noc1C ZINC000189683643 1036113421 /nfs/dbraw/zinc/11/34/21/1036113421.db2.gz XXZBTVPAUXLVKL-HZPDHXFCSA-N 0 0 343.427 3.825 10 0 EHAERN CCCN(C(=O)Nc1cn(C)nc1C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000189727101 1036134114 /nfs/dbraw/zinc/13/41/14/1036134114.db2.gz VNVVGNUCSCUFQD-IRXDYDNUSA-N 0 0 348.491 3.710 10 0 EHAERN O=C(c1cc2ccccc2[nH]1)N1CC2(CCOCC2)c2ccccc21 ZINC000189813549 1036149449 /nfs/dbraw/zinc/14/94/49/1036149449.db2.gz QYDKYZKPEHQSSR-UHFFFAOYSA-N 0 0 332.403 3.877 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1c(C)c2ccccc2oc1=O ZINC000189938523 1036164967 /nfs/dbraw/zinc/16/49/67/1036164967.db2.gz CZTMRUNKTSDNFN-INIZCTEOSA-N 0 0 349.386 3.663 10 0 EHAERN C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccs1 ZINC000189978827 1036169718 /nfs/dbraw/zinc/16/97/18/1036169718.db2.gz WAJKKEASPWJNDS-NSHDSACASA-N 0 0 336.486 3.552 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000190104337 1036194413 /nfs/dbraw/zinc/19/44/13/1036194413.db2.gz WQOWLGHCQTUULR-KRWDZBQOSA-N 0 0 340.810 3.812 10 0 EHAERN O=C(NCCCC1CCCC1)N1CCC(Nc2nccs2)CC1 ZINC000190249727 1036214022 /nfs/dbraw/zinc/21/40/22/1036214022.db2.gz NJXIETNFOGETNX-UHFFFAOYSA-N 0 0 336.505 3.699 10 0 EHAERN Cc1cc(C)cc(CCC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190378221 1036232748 /nfs/dbraw/zinc/23/27/48/1036232748.db2.gz RZPHWSHCMKOZLM-UHFFFAOYSA-N 0 0 343.496 3.796 10 0 EHAERN O=C(c1cc(C2CC2)on1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191204368 1036347482 /nfs/dbraw/zinc/34/74/82/1036347482.db2.gz ZTAGJHBSVATVPV-LBPRGKRZSA-N 0 0 332.350 3.850 10 0 EHAERN O=Cc1ccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cc1 ZINC000191533660 1036408596 /nfs/dbraw/zinc/40/85/96/1036408596.db2.gz MZCUTBGZLQEFRJ-HNNXBMFYSA-N 0 0 329.346 3.797 10 0 EHAERN O=C(c1c[nH]nc1C1CC1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191536823 1036411739 /nfs/dbraw/zinc/41/17/39/1036411739.db2.gz KYUKMNDRUWRAIM-LBPRGKRZSA-N 0 0 331.366 3.585 10 0 EHAERN CCOC1CC(CCNC(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000191705964 1036421136 /nfs/dbraw/zinc/42/11/36/1036421136.db2.gz UULFKUNMGLXKNP-UHFFFAOYSA-N 0 0 328.456 3.691 10 0 EHAERN O=C(Nc1c(F)cccc1N1CCCC1)[C@@H]1CCCc2cccnc21 ZINC000192500721 1036512459 /nfs/dbraw/zinc/51/24/59/1036512459.db2.gz HRVLLYZHAXKQDA-OAHLLOKOSA-N 0 0 339.414 3.880 10 0 EHAERN C[C@@H](c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1)N(C)CC(F)(F)F ZINC000193223485 1036583558 /nfs/dbraw/zinc/58/35/58/1036583558.db2.gz SOHJUYWBTWAOFA-DCAQKATOSA-N 0 0 335.370 3.543 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)CCC(=O)c3ccccc3)c21 ZINC000103129664 1036845665 /nfs/dbraw/zinc/84/56/65/1036845665.db2.gz PXFIDIRVYPBXBW-UHFFFAOYSA-N 0 0 334.419 3.798 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N[C@@H]3CCCc4occc43)c21 ZINC000103178401 1036847116 /nfs/dbraw/zinc/84/71/16/1036847116.db2.gz NAGBSKDOINGHLT-MRXNPFEDSA-N 0 0 337.423 3.989 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000176567105 1037058792 /nfs/dbraw/zinc/05/87/92/1037058792.db2.gz GLJRZCYZFGYPBV-IGCXYCKISA-N 0 0 348.418 3.555 10 0 EHAERN COc1ccccc1CCN(C)Cc1csc(-c2ccccn2)n1 ZINC000104709604 1037075451 /nfs/dbraw/zinc/07/54/51/1037075451.db2.gz GTEZJEWYINFJPO-UHFFFAOYSA-N 0 0 339.464 3.888 10 0 EHAERN Clc1cnc2[nH]c(SCc3nc(-c4ccoc4)no3)nc2c1 ZINC000105571507 1037213030 /nfs/dbraw/zinc/21/30/30/1037213030.db2.gz SGEAMQIMKUALNQ-UHFFFAOYSA-N 0 0 333.760 3.547 10 0 EHAERN C[C@@H](SCC(=O)NC(C)(C)C)c1nc(-c2cccs2)no1 ZINC000105632186 1037228402 /nfs/dbraw/zinc/22/84/02/1037228402.db2.gz OYBCFHRZRLBNJN-SECBINFHSA-N 0 0 325.459 3.507 10 0 EHAERN CCOc1ccc(CNC(=O)c2cc(F)c(F)c(F)c2F)cc1F ZINC000105985474 1037289629 /nfs/dbraw/zinc/28/96/29/1037289629.db2.gz LAXIPKHXIHOYJS-UHFFFAOYSA-N 0 0 345.267 3.711 10 0 EHAERN Cc1cnn([C@H]2CCCN(Cc3cc(Cl)cc4c3OCOC4)C2)c1 ZINC000105899444 1037603640 /nfs/dbraw/zinc/60/36/40/1037603640.db2.gz ARNQIEXKYYGMLE-KRWDZBQOSA-N 0 0 347.846 3.549 10 0 EHAERN O=C(c1cscn1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217730 1037779290 /nfs/dbraw/zinc/77/92/90/1037779290.db2.gz RRBYRTKBOGBJEA-AWEZNQCLSA-N 0 0 338.436 3.553 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C(C)(C)c3cccs3)CC2)n1 ZINC000116669731 1037839568 /nfs/dbraw/zinc/83/95/68/1037839568.db2.gz FLXOUDJALPZUQP-UHFFFAOYSA-N 0 0 343.496 3.514 10 0 EHAERN Cc1ccc([C@@H]2COCCN2C(=O)/C=C/c2cccc3cccnc23)o1 ZINC000116700561 1037841461 /nfs/dbraw/zinc/84/14/61/1037841461.db2.gz GAWSVGQZJBZTEE-LNENJAERSA-N 0 0 348.402 3.750 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000117588628 1037854535 /nfs/dbraw/zinc/85/45/35/1037854535.db2.gz MNZAECJQWZOYEP-KZULUSFZSA-N 0 0 336.391 3.538 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCCCOCc1ccccc1 ZINC000117637155 1037858438 /nfs/dbraw/zinc/85/84/38/1037858438.db2.gz WTWCGXVCKWZVCY-OXQOHEQNSA-N 0 0 339.435 3.664 10 0 EHAERN C[C@H](c1nnnn1-c1ccccc1)N1CC=C(c2cccs2)CC1 ZINC000117894834 1037865245 /nfs/dbraw/zinc/86/52/45/1037865245.db2.gz DQJOZVDGKFIBJG-CQSZACIVSA-N 0 0 337.452 3.574 10 0 EHAERN Cc1ccc(NC(=O)Cc2noc([C@H]3Oc4ccccc4[C@H]3C)n2)cc1 ZINC000118165397 1037870350 /nfs/dbraw/zinc/87/03/50/1037870350.db2.gz DRDDKXCHZMKVMY-YJYMSZOUSA-N 0 0 349.390 3.796 10 0 EHAERN CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000119076304 1037881574 /nfs/dbraw/zinc/88/15/74/1037881574.db2.gz XZJBQPKVSCGXGP-BZNIZROVSA-N 0 0 343.393 3.572 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](c1ccccc1)C1CC1)CCC2 ZINC000332682142 1037950305 /nfs/dbraw/zinc/95/03/05/1037950305.db2.gz JDCUDOFOUBYGSV-QZTJIDSGSA-N 0 0 338.455 3.519 10 0 EHAERN CC[C@@H](NC(=O)NC[C@H]1CCCn2cc(C)nc21)c1cccs1 ZINC000332689498 1037951231 /nfs/dbraw/zinc/95/12/31/1037951231.db2.gz QWNCFKVAMSKNNB-ZIAGYGMSSA-N 0 0 332.473 3.581 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000332770027 1037952831 /nfs/dbraw/zinc/95/28/31/1037952831.db2.gz OZQFZEBDBMZMFL-MFWIUYSUSA-N 0 0 347.503 3.873 10 0 EHAERN CC[C@@H](C)CN(CC)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124210768 1038152017 /nfs/dbraw/zinc/15/20/17/1038152017.db2.gz PRSVZXFOAHGTKK-WBMJQRKESA-N 0 0 348.422 3.684 10 0 EHAERN Cc1nc([C@@H](NC(=O)N2CCCCCCC2)c2ccccc2F)no1 ZINC000124546927 1038201496 /nfs/dbraw/zinc/20/14/96/1038201496.db2.gz LHBLNNWMMDJSBM-INIZCTEOSA-N 0 0 346.406 3.582 10 0 EHAERN CN(Cc1ccncc1)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000043440102 1038321364 /nfs/dbraw/zinc/32/13/64/1038321364.db2.gz TYHFWIMGXJDVCA-UHFFFAOYSA-N 0 0 349.438 3.822 10 0 EHAERN CCc1ccc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000156521356 1038984757 /nfs/dbraw/zinc/98/47/57/1038984757.db2.gz RURUKMNKHIVOBW-QKYXUNIQSA-N 0 0 330.472 3.647 10 0 EHAERN Cc1ccc(C(C)(C)CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000120523589 1040845163 /nfs/dbraw/zinc/84/51/63/1040845163.db2.gz ZKIVRJCOXXEPLS-WIYYLYMNSA-N 0 0 344.499 3.609 10 0 EHAERN CN(c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CO)C1CCCC1 ZINC000246396890 1041256075 /nfs/dbraw/zinc/25/60/75/1041256075.db2.gz PCQXTKGGFXYOJA-DOTOQJQBSA-N 0 0 345.487 3.738 10 0 EHAERN CC(C)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)nn1C(C)(C)C ZINC000121012685 1041401878 /nfs/dbraw/zinc/40/18/78/1041401878.db2.gz ZLQKLPWBKWHZIM-MGPUTAFESA-N 0 0 347.503 3.529 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC000128536813 1041519883 /nfs/dbraw/zinc/51/98/83/1041519883.db2.gz PXIFQIQHSZDGDJ-HIFRSBDPSA-N 0 0 339.439 3.519 10 0 EHAERN C[C@H]1OCC[C@@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302502792 1041954798 /nfs/dbraw/zinc/95/47/98/1041954798.db2.gz MAOKWURTKJATBF-SKDRFNHKSA-N 0 0 334.832 3.701 10 0 EHAERN C[C@H]1OCC[C@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302502786 1041954865 /nfs/dbraw/zinc/95/48/65/1041954865.db2.gz MAOKWURTKJATBF-BXKDBHETSA-N 0 0 334.832 3.701 10 0 EHAERN Cc1cc(C(=O)N2CCO[C@H](c3cccs3)C2)c(C)n1C1CC1 ZINC000161834345 1042689237 /nfs/dbraw/zinc/68/92/37/1042689237.db2.gz ROBMUTSEEBKAOM-INIZCTEOSA-N 0 0 330.453 3.715 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408221274 1042700909 /nfs/dbraw/zinc/70/09/09/1042700909.db2.gz FPOLUFKJLZKZLK-SQGPQFPESA-N 0 0 330.472 3.701 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000408224729 1042758257 /nfs/dbraw/zinc/75/82/57/1042758257.db2.gz XGTAOBBDJAZCHI-FCEWJHQRSA-N 0 0 348.512 3.718 10 0 EHAERN CCn1nc(C)c(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)c1C ZINC000408230193 1042765893 /nfs/dbraw/zinc/76/58/93/1042765893.db2.gz DLNQMTWYUGTION-OAHLLOKOSA-N 0 0 346.500 3.613 10 0 EHAERN CC[C@@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000162691475 1043654542 /nfs/dbraw/zinc/65/45/42/1043654542.db2.gz ISQKMVGZQFUQJV-SFHVURJKSA-N 0 0 339.483 3.785 10 0 EHAERN Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1C(=O)N(C)C(C)C ZINC000408358952 1043690822 /nfs/dbraw/zinc/69/08/22/1043690822.db2.gz RIWYIVCJCQRGDS-MAUKXSAKSA-N 0 0 343.471 3.882 10 0 EHAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000408365693 1043816203 /nfs/dbraw/zinc/81/62/03/1043816203.db2.gz IAULTMMTUPVUSJ-XXILOJSOSA-N 0 0 333.190 3.822 10 0 EHAERN CC(C)c1nnc([C@@H]2CN(C(=O)C[C@H]3CCCC(C)(C)C3)CCO2)o1 ZINC000408385336 1044489290 /nfs/dbraw/zinc/48/92/90/1044489290.db2.gz JZIYDQNPDKTWGH-CABCVRRESA-N 0 0 349.475 3.699 10 0 EHAERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)cn1 ZINC000408397877 1044876968 /nfs/dbraw/zinc/87/69/68/1044876968.db2.gz VLTQDFRQDRUEKL-UOVPBQLFSA-N 0 0 347.503 3.702 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCCCC[C@@H]2c2ccncc2)C[C@H](C)O1 ZINC000282260003 1128136992 /nfs/dbraw/zinc/13/69/92/1128136992.db2.gz PCCJCNCIHMWQDS-SFNKJDCFSA-N 0 0 345.487 3.912 10 0 EHAERN O=C(CCOCC(F)(F)F)O[C@H](c1ccccc1)c1cccnc1 ZINC000102968379 1132568194 /nfs/dbraw/zinc/56/81/94/1132568194.db2.gz UWWOAMKEBBBFAI-MRXNPFEDSA-N 0 0 339.313 3.683 10 0 EHAERN CN(Cc1ccc(Cl)nc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000103263762 1132771826 /nfs/dbraw/zinc/77/18/26/1132771826.db2.gz XYLFHKSDABHMBQ-UHFFFAOYSA-N 0 0 330.794 3.827 10 0 EHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1sc2ccccc2c1Cl ZINC000104908996 1135885892 /nfs/dbraw/zinc/88/58/92/1135885892.db2.gz GALGHOOAXGJYCM-ZDUSSCGKSA-N 0 0 345.851 3.888 10 0 EHAERN CC(C)(C(=O)OCCc1cccnc1)c1cccc(Br)c1 ZINC000105557990 1135953747 /nfs/dbraw/zinc/95/37/47/1135953747.db2.gz AOBLENTYXAWVGK-UHFFFAOYSA-N 0 0 348.240 3.908 10 0 EHAERN COc1cccc(N2CC[C@@H](CNC(=O)C3CCCCCC3)C2)c1 ZINC000102383877 1137872923 /nfs/dbraw/zinc/87/29/23/1137872923.db2.gz LLUMVWBUICAFFC-INIZCTEOSA-N 0 0 330.472 3.608 10 0 EHAERN Cc1cc(C)c(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c(C)n1 ZINC000333190729 1137957753 /nfs/dbraw/zinc/95/77/53/1137957753.db2.gz OCFQJEUPCOPDQI-CQSZACIVSA-N 0 0 343.431 3.882 10 0 EHAERN C[C@@H]1CC(CNC(=O)Nc2nc3c(s2)CCC3(C)C)C[C@@H](C)O1 ZINC000333521151 1138299637 /nfs/dbraw/zinc/29/96/37/1138299637.db2.gz KSAIANZYTVKGJE-GHMZBOCLSA-N 0 0 337.489 3.692 10 0 EHAERN CC[C@@H](C)c1ccc(NC(=O)CN2NC(=O)CC23CCCCC3)cc1 ZINC000333871220 1138341495 /nfs/dbraw/zinc/34/14/95/1138341495.db2.gz PHGOUXBGUHJETP-OAHLLOKOSA-N 0 0 343.471 3.578 10 0 EHAERN O=C1CC2(CCCCC2)N(Cc2coc(-c3ccc(F)c(F)c3)n2)N1 ZINC000333901950 1138345610 /nfs/dbraw/zinc/34/56/10/1138345610.db2.gz SYPHEMZFSNNNMY-UHFFFAOYSA-N 0 0 347.365 3.560 10 0 EHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333920638 1138348200 /nfs/dbraw/zinc/34/82/00/1138348200.db2.gz QBLLSGPKUDODBR-BBWFWOEESA-N 0 0 336.435 3.563 10 0 EHAERN C[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)CC(C)(C)C1 ZINC000333954497 1138353458 /nfs/dbraw/zinc/35/34/58/1138353458.db2.gz FKHKVSDWDPOFNX-BVIKNXMNSA-N 0 0 330.472 3.880 10 0 EHAERN CC(C)(C)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000185490430 1140152886 /nfs/dbraw/zinc/15/28/86/1140152886.db2.gz RRLYMBGWKICSHF-CQSZACIVSA-N 0 0 343.431 3.741 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cc3c(cc2C)OCO3)cs1 ZINC000189324577 1140335316 /nfs/dbraw/zinc/33/53/16/1140335316.db2.gz YGZFXTZMNLTXHO-AWEZNQCLSA-N 0 0 345.424 3.858 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cccc(Cl)c2Cl)C1 ZINC000190152724 1140389825 /nfs/dbraw/zinc/38/98/25/1140389825.db2.gz VNACBZUJUWHNAN-AAEUAGOBSA-N 0 0 342.226 3.647 10 0 EHAERN O=C(CCCOc1ccc(Br)cc1)N1CCCCC1 ZINC000050078418 214044293 /nfs/dbraw/zinc/04/42/93/214044293.db2.gz DMQWCOXVLBOKAT-UHFFFAOYSA-N 0 0 326.234 3.621 10 0 EHAERN Cc1nc(COc2ccc(Br)cc2[C@H](C)O)cs1 ZINC000052068325 214114710 /nfs/dbraw/zinc/11/47/10/214114710.db2.gz NJRYIOMHZROLGZ-QMMMGPOBSA-N 0 0 328.231 3.846 10 0 EHAERN FC(F)(F)Oc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1 ZINC000097758393 219055078 /nfs/dbraw/zinc/05/50/78/219055078.db2.gz MIKZVQITXIYCOB-UHFFFAOYSA-N 0 0 330.693 3.768 10 0 EHAERN Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 ZINC000004505491 210207849 /nfs/dbraw/zinc/20/78/49/210207849.db2.gz VYXJLHIUDBEOKP-UHFFFAOYSA-N 0 0 335.403 3.635 10 0 EHAERN Cc1nn([C@H](C)c2nc3ccccc3s2)c(N)c1Br ZINC000043668287 213591075 /nfs/dbraw/zinc/59/10/75/213591075.db2.gz MFLKKKMOTSGJOD-MRVPVSSYSA-N 0 0 337.246 3.755 10 0 EHAERN CC(C)Oc1nc(Cl)nc(Nc2ccccc2Br)n1 ZINC000104164874 219354759 /nfs/dbraw/zinc/35/47/59/219354759.db2.gz IVGIJYFBWAJLOO-UHFFFAOYSA-N 0 0 343.612 3.818 10 0 EHAERN Cc1ccc(S(=O)(=O)N(C(=O)C(C)(C)C)c2ccccc2)cc1 ZINC000040966447 213404296 /nfs/dbraw/zinc/40/42/96/213404296.db2.gz FSPHDFJBCLIXTE-UHFFFAOYSA-N 0 0 331.437 3.763 10 0 EHAERN Nc1c(Nc2cccnc2Cl)ncnc1Nc1cccnc1Cl ZINC000040802086 213388439 /nfs/dbraw/zinc/38/84/39/213388439.db2.gz HQHOIUFWTIDRRB-UHFFFAOYSA-N 0 0 348.197 3.643 10 0 EHAERN CCCCOc1ccc(Nc2ncnc(N(CC)CC)c2N)cc1 ZINC000040723186 213375953 /nfs/dbraw/zinc/37/59/53/213375953.db2.gz IFNHLBJCKLGDLD-UHFFFAOYSA-N 0 0 329.448 3.828 10 0 EHAERN Nc1c(NCc2ccccc2)ncnc1Nc1cc(F)ccc1F ZINC000040709367 213373589 /nfs/dbraw/zinc/37/35/89/213373589.db2.gz NLPUGVHHYUMVOA-UHFFFAOYSA-N 0 0 327.338 3.693 10 0 EHAERN CCC(CC)[C@H](C)NS(=O)(=O)c1sccc1Br ZINC000104434690 219387763 /nfs/dbraw/zinc/38/77/63/219387763.db2.gz BSLWYMKNVHAKOA-QMMMGPOBSA-N 0 0 340.308 3.614 10 0 EHAERN Cc1nn2c(nnc(C(=O)OC(C)C)c2C)c1-c1cccc(Cl)c1 ZINC000040375024 213293344 /nfs/dbraw/zinc/29/33/44/213293344.db2.gz LVNCBUNLYXRDNP-UHFFFAOYSA-N 0 0 344.802 3.627 10 0 EHAERN Cc1nc(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)sc1C ZINC000040359339 213293013 /nfs/dbraw/zinc/29/30/13/213293013.db2.gz NWGOLQXOHAREBQ-UHFFFAOYSA-N 0 0 347.827 3.816 10 0 EHAERN O=C(Cn1c2ccccc2nc1-c1cccs1)N1CCCCC1 ZINC000040239191 213284102 /nfs/dbraw/zinc/28/41/02/213284102.db2.gz WKLIEOZVSQXXHK-UHFFFAOYSA-N 0 0 325.437 3.777 10 0 EHAERN CC(C)CCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 ZINC000040185242 213280908 /nfs/dbraw/zinc/28/09/08/213280908.db2.gz WDQCXVOACVLPBN-UHFFFAOYSA-N 0 0 336.439 3.750 10 0 EHAERN Cc1cccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)c1 ZINC000039962951 213247054 /nfs/dbraw/zinc/24/70/54/213247054.db2.gz SASMPHVBRUNCIP-UHFFFAOYSA-N 0 0 326.783 3.753 10 0 EHAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH][nH]c(=O)c5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000038600322 213216668 /nfs/dbraw/zinc/21/66/68/213216668.db2.gz SWPAIUOYLTYQKK-YEZTZDHTSA-N 0 0 344.499 3.824 10 0 endogenous,in-man EHAERN COc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1 ZINC000038356348 213207203 /nfs/dbraw/zinc/20/72/03/213207203.db2.gz OKQFAXUYZWQTBT-UHFFFAOYSA-N 0 0 331.169 3.565 10 0 EHAERN O=C(Nc1nnc(C2CC2)o1)c1cc(Br)ccc1Cl ZINC000038068442 213199847 /nfs/dbraw/zinc/19/98/47/213199847.db2.gz QUIXHGSWXPADGC-UHFFFAOYSA-N 0 0 342.580 3.615 10 0 EHAERN CCOC(=O)[C@H](N[C@@H](C)CC)c1ccc(Br)cc1F ZINC000038067963 213199579 /nfs/dbraw/zinc/19/95/79/213199579.db2.gz MHRVXMLEMBJXTQ-TVQRCGJNSA-N 0 0 332.213 3.581 10 0 EHAERN CCOC(=O)[C@](C)(N[C@H](C)CC)c1cccc(Br)c1 ZINC000038067694 213199618 /nfs/dbraw/zinc/19/96/18/213199618.db2.gz QZCUPDWBNJUNRA-IAQYHMDHSA-N 0 0 328.250 3.616 10 0 EHAERN COc1ccc(N)cc1CNC(=O)c1cc(Cl)ccc1Cl ZINC000038033339 213194813 /nfs/dbraw/zinc/19/48/13/213194813.db2.gz OOFJVCGTHFRUPO-UHFFFAOYSA-N 0 0 325.195 3.514 10 0 EHAERN O=C(Nc1cccc(CO)c1)c1ncc(Cl)c(Cl)c1Cl ZINC000037975106 213179128 /nfs/dbraw/zinc/17/91/28/213179128.db2.gz JZFJNWFKIPTSHE-UHFFFAOYSA-N 0 0 331.586 3.786 10 0 EHAERN O=C([O-])[C@@H]([NH2+]C1CCCCC1)c1cc(Br)ccc1F ZINC000037971736 213177629 /nfs/dbraw/zinc/17/76/29/213177629.db2.gz AKRQOTKJWFNATJ-ZDUSSCGKSA-N 0 0 330.197 3.636 10 0 EHAERN Cc1nc(-c2cc3c(c(Br)c2)OCO3)nc(Cl)c1C ZINC000037947915 213175758 /nfs/dbraw/zinc/17/57/58/213175758.db2.gz KWBLAHGAIPTUPG-UHFFFAOYSA-N 0 0 341.592 3.905 10 0 EHAERN NC(=O)[C@H](Nc1ccc(Cl)cc1)c1ccccc1Br ZINC000037945280 213174727 /nfs/dbraw/zinc/17/47/27/213174727.db2.gz GRJUMOUMRVKDSD-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN C[C@@H](N[C@@H](C)c1sccc1Br)C(=O)N1CCCCC1 ZINC000037784458 213166562 /nfs/dbraw/zinc/16/65/62/213166562.db2.gz MURKOHDHNZCQBI-WDEREUQCSA-N 0 0 345.306 3.562 10 0 EHAERN COC(=O)[C@H](C)CNc1ccc(Br)cc1C(F)(F)F ZINC000037518925 213152522 /nfs/dbraw/zinc/15/25/22/213152522.db2.gz XWIJFCDBAYLGEH-SSDOTTSWSA-N 0 0 340.139 3.689 10 0 EHAERN Brc1cc(CNc2ccc(-n3cccn3)nc2)cs1 ZINC000037019893 213130078 /nfs/dbraw/zinc/13/00/78/213130078.db2.gz HEEWYSURFWKEDX-UHFFFAOYSA-N 0 0 335.230 3.703 10 0 EHAERN CC(C)(C)CC(=O)N1CCC[C@@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315105 213083391 /nfs/dbraw/zinc/08/33/91/213083391.db2.gz VZCPCSVFWKHHNC-CQSZACIVSA-N 0 0 325.399 3.909 10 0 EHAERN COc1cc(/C=C\C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000033303807 212919164 /nfs/dbraw/zinc/91/91/64/212919164.db2.gz GECYZIGKAYAAJC-SREVYHEPSA-N 0 0 341.407 3.981 10 0 EHAERN C[C@@H](CCc1ccco1)Nc1nc(C2CCCC2)nc2c1CNC2 ZINC000072139136 216025624 /nfs/dbraw/zinc/02/56/24/216025624.db2.gz IUIFUZWPYBWOQB-ZDUSSCGKSA-N 0 0 326.444 3.764 10 0 EHAERN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cn1C1CC1 ZINC000036859934 213123946 /nfs/dbraw/zinc/12/39/46/213123946.db2.gz XODFOKBWLDTWPJ-PHIMTYICSA-N 0 0 325.250 3.989 10 0 EHAERN CCOc1ccc(Nc2nc3nccc(-c4ccco4)c3c(=O)[nH]2)cc1 ZINC000072441042 216235674 /nfs/dbraw/zinc/23/56/74/216235674.db2.gz NKXJRWLIXIQWBB-UHFFFAOYSA-N 0 0 348.362 3.720 10 0 EHAERN O=C(NCC1CC1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072451130 216239726 /nfs/dbraw/zinc/23/97/26/216239726.db2.gz AGRUHUVHTYXIGR-UHFFFAOYSA-N 0 0 344.414 3.849 10 0 EHAERN c1ccc(-c2ccnc3nc(-c4ccc5c(c4)OCCCO5)nn32)cc1 ZINC000072460978 216243821 /nfs/dbraw/zinc/24/38/21/216243821.db2.gz SQSKBVSRPDOXCS-UHFFFAOYSA-N 0 0 344.374 3.620 10 0 EHAERN CN(Cc1cccc(Br)c1)C(=O)c1ccc2c(c1)CCN2 ZINC000038100113 213200876 /nfs/dbraw/zinc/20/08/76/213200876.db2.gz HADAUYYWUVGNGR-UHFFFAOYSA-N 0 0 345.240 3.689 10 0 EHAERN C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000023864168 212397330 /nfs/dbraw/zinc/39/73/30/212397330.db2.gz GMQVXYAACRUUHZ-QMMMGPOBSA-N 0 0 349.761 3.797 10 0 EHAERN CC(=O)Oc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000023119220 212349454 /nfs/dbraw/zinc/34/94/54/212349454.db2.gz QKUZLTMPRWVFFW-UHFFFAOYSA-N 0 0 330.340 3.613 10 0 EHAERN Cc1cc(N)ccc1NC(=O)CCOc1ccc(Br)cc1 ZINC000022221196 212282682 /nfs/dbraw/zinc/28/26/82/212282682.db2.gz PXLJRKIHCVSOCL-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN NC(=O)c1cc2c(cncc2Nc2ccc(Br)cc2)s1 ZINC000202093870 241039697 /nfs/dbraw/zinc/03/96/97/241039697.db2.gz QXRHRGIWUYVCQQ-UHFFFAOYSA-N 0 0 348.225 3.901 10 0 EHAERN CN(C)c1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000021289028 212218222 /nfs/dbraw/zinc/21/82/22/212218222.db2.gz QFXMHNZCUIIRHD-UHFFFAOYSA-N 0 0 344.216 3.597 10 0 EHAERN Cc1ccc(OCC(=O)Nc2cc(N)ccc2C)c(Br)c1 ZINC000020077801 212099770 /nfs/dbraw/zinc/09/97/70/212099770.db2.gz KXUPXNFWISCBRH-UHFFFAOYSA-N 0 0 349.228 3.666 10 0 EHAERN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2N)c(Br)c1 ZINC000020077812 212099444 /nfs/dbraw/zinc/09/94/44/212099444.db2.gz BAPIZHCLXUONJX-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN O=C1c2ccc(Br)cc2N(CCCc2ccccc2)C1=O ZINC000019967185 212091760 /nfs/dbraw/zinc/09/17/60/212091760.db2.gz BCKISVWUGPPABJ-UHFFFAOYSA-N 0 0 344.208 3.611 10 0 EHAERN Cc1cc(Br)ccc1NC(=O)[C@H]1CNc2ccccc2O1 ZINC000019435949 212027229 /nfs/dbraw/zinc/02/72/29/212027229.db2.gz HKJHKXBHPUNWCB-OAHLLOKOSA-N 0 0 347.212 3.569 10 0 EHAERN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1c1cc(O)ccc1OCC1CC1 ZINC000080441751 217304653 /nfs/dbraw/zinc/30/46/53/217304653.db2.gz JPMGCJBYXCRQGS-ZFWWWQNUSA-N 0 0 333.428 3.809 10 0 EHAERN Cc1ccc(CNC(=O)CCc2nnc(-c3ccc(C)s3)o2)s1 ZINC000012718235 211438071 /nfs/dbraw/zinc/43/80/71/211438071.db2.gz PCOVECFZUNTHNK-UHFFFAOYSA-N 0 0 347.465 3.725 10 0 EHAERN Cc1ccc(Cn2cnc(=O)c3sc(Br)cc32)cc1 ZINC000091690885 218048611 /nfs/dbraw/zinc/04/86/11/218048611.db2.gz IADXSAJWTRCYJK-UHFFFAOYSA-N 0 0 335.226 3.577 10 0 EHAERN C[C@H](c1nccs1)N(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088778 218278678 /nfs/dbraw/zinc/27/86/78/218278678.db2.gz IHLBEKOURGUCGQ-KGLIPLIRSA-N 0 0 339.505 3.926 10 0 EHAERN Cc1cc(Cl)nc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089912 218279533 /nfs/dbraw/zinc/27/95/33/218279533.db2.gz LBZMJVGUDDTALY-GFCCVEGCSA-N 0 0 341.839 3.607 10 0 EHAERN Cc1ccnc(OCCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000095090552 218280015 /nfs/dbraw/zinc/28/00/15/218280015.db2.gz KLWNOMBXQSHARF-UHFFFAOYSA-N 0 0 335.448 3.591 10 0 EHAERN C[C@H](NC(=O)NCCOCC(F)(F)F)c1ccc2ccccc2c1 ZINC000097357653 219013543 /nfs/dbraw/zinc/01/35/43/219013543.db2.gz JGJLOKQIIXWVJG-LBPRGKRZSA-N 0 0 340.345 3.779 10 0 EHAERN Cn1cc(Br)c(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000000080525 563218366 /nfs/dbraw/zinc/21/83/66/563218366.db2.gz WQKILBQPTNVFFB-UHFFFAOYSA-N 0 0 349.015 3.742 10 0 EHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000000162067 563249050 /nfs/dbraw/zinc/24/90/50/563249050.db2.gz ACAWGULOCOEAFW-XFJVYGCCSA-N 0 0 327.877 3.833 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000014981515 563769968 /nfs/dbraw/zinc/76/99/68/563769968.db2.gz XSSXKKZLDSOLKV-KRWDZBQOSA-N 0 0 345.874 3.679 10 0 EHAERN Clc1nc(-c2cc(Br)cc(Br)c2)no1 ZINC000307087685 563875126 /nfs/dbraw/zinc/87/51/26/563875126.db2.gz RXLSBLVAKJGHEH-UHFFFAOYSA-N 0 0 338.386 3.915 10 0 EHAERN Cc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cn1 ZINC000075876179 564000569 /nfs/dbraw/zinc/00/05/69/564000569.db2.gz RYLWXBPJWGVQPX-UHFFFAOYSA-N 0 0 346.434 3.800 10 0 EHAERN Cn1c2ccccc2nc1CN1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000275538108 564009186 /nfs/dbraw/zinc/00/91/86/564009186.db2.gz MMENPSCHAWJEII-IBGZPJMESA-N 0 0 349.482 3.523 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000583621250 564018120 /nfs/dbraw/zinc/01/81/20/564018120.db2.gz FEMDOSYIZUURNH-DLBZAZTESA-N 0 0 349.352 3.638 10 0 EHAERN CCOc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C)cc1 ZINC000015861808 564076972 /nfs/dbraw/zinc/07/69/72/564076972.db2.gz PPTBFJIBJSLLNP-UHFFFAOYSA-N 0 0 341.436 3.571 10 0 EHAERN O=C(Nc1cccc2c1OCCC2)N1CCC(c2ccncc2)CC1 ZINC000372942944 564107335 /nfs/dbraw/zinc/10/73/35/564107335.db2.gz PNJRQNBPUOCBKM-UHFFFAOYSA-N 0 0 337.423 3.818 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]CCCCC2CC2)c(Br)c1 ZINC000716398309 977834036 /nfs/dbraw/zinc/83/40/36/977834036.db2.gz MQPQXIXDTHJUSG-UHFFFAOYSA-N 0 0 326.234 3.817 10 0 EHAERN CCC[C@@](C)([NH2+]Cc1cccc(Cl)c1Br)C(=O)[O-] ZINC000719411742 978002478 /nfs/dbraw/zinc/00/24/78/978002478.db2.gz HGBXAHKEFVZLEX-CYBMUJFWSA-N 0 0 334.641 3.836 10 0 EHAERN c1cc(-c2nc(CN3CCCC[C@@H]3c3nc[nH]n3)cs2)cs1 ZINC000182676760 1032117394 /nfs/dbraw/zinc/11/73/94/1032117394.db2.gz QFFYAQPJUCJNEC-CYBMUJFWSA-N 0 0 331.470 3.717 10 0 EHAERN Cc1ccc(OC2CCN(Cc3nc(C)c4ccccc4n3)CC2)nc1 ZINC000182841788 1032142090 /nfs/dbraw/zinc/14/20/90/1032142090.db2.gz BOZAAGWKIUVSCN-UHFFFAOYSA-N 0 0 348.450 3.685 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)Nc2ccc(F)c(Cl)c2)[nH]1 ZINC000407976514 1016661906 /nfs/dbraw/zinc/66/19/06/1016661906.db2.gz UNCNWDOIPICJBT-ZDUSSCGKSA-N 0 0 337.786 3.665 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(C)c(C)cc2Cl)[nH]1 ZINC000407982287 1016701612 /nfs/dbraw/zinc/70/16/12/1016701612.db2.gz XMJJAXXVNXJCKG-OAHLLOKOSA-N 0 0 332.835 3.751 10 0 EHAERN CC1(C)CCC[C@@H](CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000407995288 1016785770 /nfs/dbraw/zinc/78/57/70/1016785770.db2.gz ICPMGERNOIGUNR-GOEBONIOSA-N 0 0 349.496 3.628 10 0 EHAERN CCC[C@H]1C[C@@H](C(=O)N2CCC(c3nc(C)cs3)CC2)CCO1 ZINC000183597108 1032210240 /nfs/dbraw/zinc/21/02/40/1032210240.db2.gz RIUFFCMDFJUWOR-HOTGVXAUSA-N 0 0 336.501 3.753 10 0 EHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000185346643 1032381213 /nfs/dbraw/zinc/38/12/13/1032381213.db2.gz CNFZVLRRYVJOPI-ZQIUZPCESA-N 0 0 345.345 3.523 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1 ZINC000185546996 1032440437 /nfs/dbraw/zinc/44/04/37/1032440437.db2.gz COBTWOVSGFTSFZ-UHFFFAOYSA-N 0 0 325.412 3.774 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(C)oc3C)C2)c1 ZINC000081638654 1032615270 /nfs/dbraw/zinc/61/52/70/1032615270.db2.gz ZIPIKXMFYSQYEM-AWEZNQCLSA-N 0 0 329.396 3.543 10 0 EHAERN O=C(NCc1ccn(C2CCCC2)n1)N[C@H]1CCCc2ccccc21 ZINC000152245559 1018030441 /nfs/dbraw/zinc/03/04/41/1018030441.db2.gz CHGGHDMDGRPQIQ-IBGZPJMESA-N 0 0 338.455 3.875 10 0 EHAERN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000408046869 1018262384 /nfs/dbraw/zinc/26/23/84/1018262384.db2.gz NJBVDJQAWPIQQM-DFGXFYAUSA-N 0 0 347.503 3.873 10 0 EHAERN Cc1onc(-c2ccncc2)c1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333519740 1019850310 /nfs/dbraw/zinc/85/03/10/1019850310.db2.gz NPUBLGIIGJQQJJ-OLPIVMHESA-N 0 0 337.423 3.553 10 0 EHAERN Cc1nc2cc(Br)cc(NC(=O)N3CC4(CC4)C3)c2o1 ZINC000333525586 1019877898 /nfs/dbraw/zinc/87/78/98/1019877898.db2.gz OXOGIOZYZFWZNH-UHFFFAOYSA-N 0 0 336.189 3.526 10 0 EHAERN C[C@H]1CCCN(C(=O)Nc2cccc(N3CCCCCC3)c2)[C@@H]1CO ZINC000089871555 1020317003 /nfs/dbraw/zinc/31/70/03/1020317003.db2.gz UUPCDGXUCVAIJN-QFBILLFUSA-N 0 0 345.487 3.692 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N2CCC[C@H](C)[C@@H]2CO)cc1Cl ZINC000089876611 1020317787 /nfs/dbraw/zinc/31/77/87/1020317787.db2.gz XHFHWGDSBOOVAF-XPTSAGLGSA-N 0 0 331.243 3.927 10 0 EHAERN O=C(NCc1ccc(C2CCCCC2)cc1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000334066739 1021939269 /nfs/dbraw/zinc/93/92/69/1021939269.db2.gz DLYYAKAUUXSMFF-ZCNNSNEGSA-N 0 0 342.483 3.647 10 0 EHAERN O=C(NCc1ccc(C2CCCCC2)cc1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000334066737 1021939309 /nfs/dbraw/zinc/93/93/09/1021939309.db2.gz DLYYAKAUUXSMFF-UFYCRDLUSA-N 0 0 342.483 3.647 10 0 EHAERN C[C@H](NC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000333790515 1022130093 /nfs/dbraw/zinc/13/00/93/1022130093.db2.gz DFZWZQMYDWGYGY-IMJJTQAJSA-N 0 0 344.455 3.739 10 0 EHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187679645 1022212722 /nfs/dbraw/zinc/21/27/22/1022212722.db2.gz XIBHHULXQYJMAP-MRXNPFEDSA-N 0 0 338.407 3.526 10 0 EHAERN O=C(/C=C\c1ccncn1)Oc1ccc(OCc2ccccc2)cc1 ZINC000588435814 1022238018 /nfs/dbraw/zinc/23/80/18/1022238018.db2.gz SZTUCIPGYRNVAT-WDZFZDKYSA-N 0 0 332.359 3.674 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128030010 1022404527 /nfs/dbraw/zinc/40/45/27/1022404527.db2.gz WZPDPPUAUHPWPH-WBMJQRKESA-N 0 0 345.336 3.612 10 0 EHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128165080 1022414349 /nfs/dbraw/zinc/41/43/49/1022414349.db2.gz DVUMUZXHVABHII-BLLLJJGKSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128164884 1022415217 /nfs/dbraw/zinc/41/52/17/1022415217.db2.gz DVUMUZXHVABHII-WBMJQRKESA-N 0 0 328.239 3.761 10 0 EHAERN CC(C)c1nc([C@H]2CCCN(Cc3nc(C4CCCC4)no3)C2)no1 ZINC000328684940 1022466324 /nfs/dbraw/zinc/46/63/24/1022466324.db2.gz XAOBOCQCYBNADO-AWEZNQCLSA-N 0 0 345.447 3.613 10 0 EHAERN O=C(CC[C@@H]1CCCO1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000328726467 1022488194 /nfs/dbraw/zinc/48/81/94/1022488194.db2.gz ZQLZATAWVCVWLV-KXBFYZLASA-N 0 0 342.439 3.570 10 0 EHAERN Cc1sc2nc(C)nc(N[C@H]3c4ccccc4C[C@H]3O)c2c1C ZINC000328787499 1022501504 /nfs/dbraw/zinc/50/15/04/1022501504.db2.gz XCUDYLMDJHZLOX-ZBFHGGJFSA-N 0 0 325.437 3.687 10 0 EHAERN C[C@H]1CC(CNC(=O)c2cc(-c3ccccc3)ns2)C[C@H](C)O1 ZINC000328948463 1022539683 /nfs/dbraw/zinc/53/96/83/1022539683.db2.gz WDMCIVAGTRQQQJ-STQMWFEESA-N 0 0 330.453 3.744 10 0 EHAERN CCCc1ccccc1NC(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000120647442 1022558113 /nfs/dbraw/zinc/55/81/13/1022558113.db2.gz MOOYJKABWFWFLW-UHFFFAOYSA-N 0 0 345.487 3.751 10 0 EHAERN Cc1ccc(C)c(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000101734894 1022687098 /nfs/dbraw/zinc/68/70/98/1022687098.db2.gz VPGXOQWLNCFGEM-INIZCTEOSA-N 0 0 345.487 3.708 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)CC(C)(C)C1 ZINC000332934585 1022869589 /nfs/dbraw/zinc/86/95/89/1022869589.db2.gz GYAOCXHGEBCNGB-DJIMGWMZSA-N 0 0 340.471 3.667 10 0 EHAERN C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)C1(C)C ZINC000333728724 1022876309 /nfs/dbraw/zinc/87/63/09/1022876309.db2.gz JLFGPWASXCOQIN-VERUCKTNSA-N 0 0 330.472 3.880 10 0 EHAERN C[C@@](CO)(NC(=O)/C=C\c1ccnc2ccccc12)C1CCCCC1 ZINC000588460052 1023224653 /nfs/dbraw/zinc/22/46/53/1023224653.db2.gz UYGQALBGNPWHAD-GMGKOPGTSA-N 0 0 338.451 3.696 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC(C)(C)C1 ZINC000180106349 1023253671 /nfs/dbraw/zinc/25/36/71/1023253671.db2.gz GZKCYLJATRQSTF-VNQPRFMTSA-N 0 0 344.503 3.851 10 0 EHAERN Cc1csc([C@H]2COCCN2C(=O)N[C@@H](C)c2cc(C)oc2C)n1 ZINC000190149830 1023256443 /nfs/dbraw/zinc/25/64/43/1023256443.db2.gz FXINKFODYAFTNR-SWLSCSKDSA-N 0 0 349.456 3.505 10 0 EHAERN O=C([C@H]1CCCc2c(O)cccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000190285719 1023279799 /nfs/dbraw/zinc/27/97/99/1023279799.db2.gz DMMMYFGXWNMCMW-CJNGLKHVSA-N 0 0 342.464 3.675 10 0 EHAERN CC(C)(C)c1ncsc1C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190288677 1023280604 /nfs/dbraw/zinc/28/06/04/1023280604.db2.gz RLFMMKNKHZSWMF-CYBMUJFWSA-N 0 0 330.453 3.954 10 0 EHAERN C[C@@](O)(CNC(=O)C/C=C\c1cccc(F)c1)c1ccccc1Cl ZINC000588470281 1023640861 /nfs/dbraw/zinc/64/08/61/1023640861.db2.gz UQAXFRLHGPCPCI-SUOMESGTSA-N 0 0 347.817 3.906 10 0 EHAERN CN(C)C(=O)c1cc(F)ccc1NC(=O)/C=C\c1ccccc1Cl ZINC000588474809 1023781932 /nfs/dbraw/zinc/78/19/32/1023781932.db2.gz ZTNKQYXZXTYTMA-YFHOEESVSA-N 0 0 346.789 3.833 10 0 EHAERN COc1cccc(/C(C)=C\C(=O)Nc2cccc3c2OCC[C@H]3O)c1 ZINC000588479267 1023881259 /nfs/dbraw/zinc/88/12/59/1023881259.db2.gz JJFBAQPSKSBRAI-FWFZHJKVSA-N 0 0 339.391 3.553 10 0 EHAERN O=C(C/C=C\c1cccc(F)c1)Nc1cccc2c1OCC[C@@H]2O ZINC000588479263 1023882109 /nfs/dbraw/zinc/88/21/09/1023882109.db2.gz FUHJVDSQADAGIK-NCSHICFUSA-N 0 0 327.355 3.684 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181332995 1024007583 /nfs/dbraw/zinc/00/75/83/1024007583.db2.gz ICUZSSILENTBDC-DOTOQJQBSA-N 0 0 340.471 3.860 10 0 EHAERN O=C([O-])CCCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000181575581 1024033269 /nfs/dbraw/zinc/03/32/69/1024033269.db2.gz DDUUAPXGHOKYFW-CABCVRRESA-N 0 0 325.474 3.671 10 0 EHAERN Cc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000151208901 1024061815 /nfs/dbraw/zinc/06/18/15/1024061815.db2.gz MMGJJXDERIQZDB-IRXDYDNUSA-N 0 0 332.407 3.626 10 0 EHAERN CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCCC2)cc1 ZINC000329844665 1033182303 /nfs/dbraw/zinc/18/23/03/1033182303.db2.gz LLBGJYNNNHLTGQ-AWEZNQCLSA-N 0 0 335.469 3.944 10 0 EHAERN C[C@@H]1CCC[C@H]1c1nc(-c2cccc(CN3CCCC3=O)c2)no1 ZINC000329723432 1024146533 /nfs/dbraw/zinc/14/65/33/1024146533.db2.gz NRTKGRNZFNSCMK-CZUORRHYSA-N 0 0 325.412 3.763 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H](n3cccn3)C2)n1 ZINC000329819110 1024207545 /nfs/dbraw/zinc/20/75/45/1024207545.db2.gz XPMPWIRDBAWFFF-HOTGVXAUSA-N 0 0 337.427 3.640 10 0 EHAERN O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000280924085 1024219891 /nfs/dbraw/zinc/21/98/91/1024219891.db2.gz BGQDTAMEUDROKO-WKWVNEEDSA-N 0 0 342.483 3.658 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3nc4ccccc4s3)CCO2)o1 ZINC000165798886 1024473329 /nfs/dbraw/zinc/47/33/29/1024473329.db2.gz XCFOAVJTXWUQRZ-AWEZNQCLSA-N 0 0 343.408 3.803 10 0 EHAERN COc1cccc([C@@H](C)CC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000151796031 1024665621 /nfs/dbraw/zinc/66/56/21/1024665621.db2.gz MFLMXSGYKMWINB-IFXJQAMLSA-N 0 0 343.423 3.690 10 0 EHAERN COc1ccc(CNC(=O)/C(C)=C\C(C)(C)C)cc1OC(F)F ZINC000588496317 1025082684 /nfs/dbraw/zinc/08/26/84/1025082684.db2.gz STFIYKBMXOGIIN-LUAWRHEFSA-N 0 0 327.371 3.905 10 0 EHAERN O=C(Nc1ccccn1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113366900 1025150579 /nfs/dbraw/zinc/15/05/79/1025150579.db2.gz KSNVHZWAFCDXKB-MRXNPFEDSA-N 0 0 347.422 3.883 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000588499104 1025225105 /nfs/dbraw/zinc/22/51/05/1025225105.db2.gz PWQCHONLHRNWND-MMCLNADLSA-N 0 0 336.426 3.819 10 0 EHAERN CC1(C)C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c2ccccc2O1 ZINC000121521291 1025481755 /nfs/dbraw/zinc/48/17/55/1025481755.db2.gz CBQSPVJFHYHLKC-KJFZJZGVSA-N 0 0 341.451 3.800 10 0 EHAERN Cc1nc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)oc1C ZINC000451147626 1025602135 /nfs/dbraw/zinc/60/21/35/1025602135.db2.gz NRQJPDOYJXPQIQ-UHFFFAOYSA-N 0 0 326.318 3.969 10 0 EHAERN CCc1ncsc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000121959123 1026062597 /nfs/dbraw/zinc/06/25/97/1026062597.db2.gz NAUVAODNIRSABO-GXTWGEPZSA-N 0 0 330.453 3.732 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)CCOCc3ccccc3)c21 ZINC000103127715 1026063885 /nfs/dbraw/zinc/06/38/85/1026063885.db2.gz PWUNCVOOUWRKFP-UHFFFAOYSA-N 0 0 336.435 3.742 10 0 EHAERN Cc1cc(-c2noc([C@@H]3C[C@@]34CCOC4)n2)ccc1N1CC[C@@H](C)C1 ZINC000329628852 1026105513 /nfs/dbraw/zinc/10/55/13/1026105513.db2.gz VXSCTFKEWBDGFC-JOTOCRJQSA-N 0 0 339.439 3.785 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000103862295 1026131203 /nfs/dbraw/zinc/13/12/03/1026131203.db2.gz OEBULMLOMSZGMS-HNNXBMFYSA-N 0 0 344.430 3.649 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)on3)C2)cc1 ZINC000122469229 1026472846 /nfs/dbraw/zinc/47/28/46/1026472846.db2.gz JGLCCYAKCCWSMP-HIFRSBDPSA-N 0 0 328.412 3.825 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000126000790 1027149301 /nfs/dbraw/zinc/14/93/01/1027149301.db2.gz GUWKKGOHKMAEEF-JLTOFOAXSA-N 0 0 345.402 3.671 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@@H](C)c3nccs3)C2)cc1 ZINC000126005164 1027153873 /nfs/dbraw/zinc/15/38/73/1027153873.db2.gz YAVIZSBXFBHWSA-KCQAQPDRSA-N 0 0 345.468 3.800 10 0 EHAERN O=C(NCc1nc(C2CC2)cs1)N1CCC[C@H](c2nccs2)C1 ZINC000123363516 1027188031 /nfs/dbraw/zinc/18/80/31/1027188031.db2.gz UHYQPFYJOOKAOD-LBPRGKRZSA-N 0 0 348.497 3.566 10 0 EHAERN CCCCCC[C@H](C)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000123465908 1027323748 /nfs/dbraw/zinc/32/37/48/1027323748.db2.gz MEVAFPHJYAIPJK-INIZCTEOSA-N 0 0 334.508 3.743 10 0 EHAERN O=C1CCCc2cc(N[C@H](c3ncc[nH]3)c3ccccc3)ccc2N1 ZINC000129470963 1027560570 /nfs/dbraw/zinc/56/05/70/1027560570.db2.gz VRCXSJIIMGNIER-IBGZPJMESA-N 0 0 332.407 3.886 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000105043213 1027583595 /nfs/dbraw/zinc/58/35/95/1027583595.db2.gz SBJJKPHBKXJYRA-UHFFFAOYSA-N 0 0 332.375 3.897 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)c(C)c3)CC2)n1 ZINC000130494612 1027674442 /nfs/dbraw/zinc/67/44/42/1027674442.db2.gz MBYQVVXCASVQPW-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN CC/C(=C/C(=O)N[C@H](C)c1ccncc1OC)c1ccc(OC)cc1 ZINC000588550473 1027815863 /nfs/dbraw/zinc/81/58/63/1027815863.db2.gz VGAXLZGUMAEAML-QAALXFNPSA-N 0 0 340.423 3.770 10 0 EHAERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000246158737 1027850864 /nfs/dbraw/zinc/85/08/64/1027850864.db2.gz LPDQJVLYOQKUCO-OSAQELSMSA-N 0 0 328.239 3.559 10 0 EHAERN CSc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000246177946 1027891347 /nfs/dbraw/zinc/89/13/47/1027891347.db2.gz CZNOPDFOLQIHGM-BZUAXINKSA-N 0 0 332.469 3.878 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133349461 1028022545 /nfs/dbraw/zinc/02/25/45/1028022545.db2.gz HQWXSOTVNQCERI-KUHUBIRLSA-N 0 0 345.414 3.896 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C(C)(C)c3ccc(F)cc3)CCO2)o1 ZINC000133375907 1028024855 /nfs/dbraw/zinc/02/48/55/1028024855.db2.gz CILHIOGPYYVGDO-KRWDZBQOSA-N 0 0 331.387 3.605 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133393221 1028027110 /nfs/dbraw/zinc/02/71/10/1028027110.db2.gz WHQXRULESDSQLF-SCLBCKFNSA-N 0 0 331.387 3.506 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCCc3ccc(F)c(F)c3)CCO2)o1 ZINC000133484038 1028036826 /nfs/dbraw/zinc/03/68/26/1028036826.db2.gz CONZKKSXAXKXRZ-GOSISDBHSA-N 0 0 349.377 3.789 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(Cl)c1 ZINC000134597825 1028132300 /nfs/dbraw/zinc/13/23/00/1028132300.db2.gz RQPBAOHXRNUFHD-DYVFJYSZSA-N 0 0 345.830 3.659 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000246280790 1028151491 /nfs/dbraw/zinc/15/14/91/1028151491.db2.gz DEHOJWGFTMYWMK-RYRKJORJSA-N 0 0 341.476 3.790 10 0 EHAERN C[C@H]1CCC[C@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000055481346 1028273600 /nfs/dbraw/zinc/27/36/00/1028273600.db2.gz KOCOHABBBKMRCG-GJZGRUSLSA-N 0 0 348.512 3.543 10 0 EHAERN C[C@@H]1CCC[C@@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000055481348 1028274411 /nfs/dbraw/zinc/27/44/11/1028274411.db2.gz KOCOHABBBKMRCG-HUUCEWRRSA-N 0 0 348.512 3.543 10 0 EHAERN O=C(c1cccnc1C(F)(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000137092506 1028286986 /nfs/dbraw/zinc/28/69/86/1028286986.db2.gz NFHCEHFCTXEGPQ-SNVBAGLBSA-N 0 0 341.358 3.577 10 0 EHAERN CN(C(=O)C1CCN(c2ncccn2)CC1)c1cccc2ccccc21 ZINC000056225428 1028314620 /nfs/dbraw/zinc/31/46/20/1028314620.db2.gz YFEPXUXZVJBSLG-UHFFFAOYSA-N 0 0 346.434 3.509 10 0 EHAERN Clc1cccc(-c2nc(CN3CCCC[C@H]3c3nc[nH]n3)co2)c1 ZINC000121642683 1028419503 /nfs/dbraw/zinc/41/95/03/1028419503.db2.gz HBXHMGUQLZWNFW-HNNXBMFYSA-N 0 0 343.818 3.840 10 0 EHAERN COc1cccc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1 ZINC000062093917 1028440802 /nfs/dbraw/zinc/44/08/02/1028440802.db2.gz GAKRJUGZUXGQFY-UHFFFAOYSA-N 0 0 336.391 3.631 10 0 EHAERN O=C(Nc1ccccc1Br)[C@H]1CCCc2cccnc21 ZINC000193754252 1028461042 /nfs/dbraw/zinc/46/10/42/1028461042.db2.gz CDTXFNZVGASWMV-LBPRGKRZSA-N 0 0 331.213 3.903 10 0 EHAERN COc1cccc2c1CCN(C(=O)N[C@H](C)c1cccs1)CC2 ZINC000194106918 1028489810 /nfs/dbraw/zinc/48/98/10/1028489810.db2.gz TWCQMAILACHIOX-CYBMUJFWSA-N 0 0 330.453 3.628 10 0 EHAERN COc1cc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)ccc1C ZINC000194400979 1028514043 /nfs/dbraw/zinc/51/40/43/1028514043.db2.gz LRXUSVJLEZRSAL-QGZVFWFLSA-N 0 0 343.814 3.919 10 0 EHAERN COc1cc(F)c(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1F ZINC000246486948 1028616461 /nfs/dbraw/zinc/61/64/61/1028616461.db2.gz BEBSKOWWFMCKJB-SNUQEOBHSA-N 0 0 344.361 3.681 10 0 EHAERN c1csc([C@@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000195350846 1028635402 /nfs/dbraw/zinc/63/54/02/1028635402.db2.gz XESHGGFZBXTFRI-CQSZACIVSA-N 0 0 326.425 3.573 10 0 EHAERN O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nccs1 ZINC000074909199 1028637938 /nfs/dbraw/zinc/63/79/38/1028637938.db2.gz ARAGPNYWZTZQPL-LBPRGKRZSA-N 0 0 337.242 3.883 10 0 EHAERN O=C(c1ccccc1Br)N1CCC[C@@H]1c1nccs1 ZINC000074909190 1028639605 /nfs/dbraw/zinc/63/96/05/1028639605.db2.gz CMEITPXCIDLBBA-GFCCVEGCSA-N 0 0 337.242 3.883 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)CCO2)o1 ZINC000246595987 1028667802 /nfs/dbraw/zinc/66/78/02/1028667802.db2.gz MORNVTQRGIOETR-JOQOYGCGSA-N 0 0 347.361 3.570 10 0 EHAERN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000246675241 1028675840 /nfs/dbraw/zinc/67/58/40/1028675840.db2.gz JPIMSPZICTWRAR-RIEGTJTDSA-N 0 0 346.229 3.698 10 0 EHAERN Cc1cccc2c(CC(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)c[nH]c21 ZINC000246944171 1028714779 /nfs/dbraw/zinc/71/47/79/1028714779.db2.gz LVBAPGGXLANFOW-SFHLNBCPSA-N 0 0 330.431 3.721 10 0 EHAERN O=C(NCc1ccnc(N2CCCCCC2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245472813 1028722936 /nfs/dbraw/zinc/72/29/36/1028722936.db2.gz ZOTCXQVIIQPZDP-DZFIZOCASA-N 0 0 327.472 3.514 10 0 EHAERN Cc1nc2cc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)ccc2o1 ZINC000247156129 1028750245 /nfs/dbraw/zinc/75/02/45/1028750245.db2.gz XMNZXQLLBFQFFR-KBRIMQKVSA-N 0 0 341.411 3.605 10 0 EHAERN CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000248437334 1028754362 /nfs/dbraw/zinc/75/43/62/1028754362.db2.gz SMZJXJABBGYMSP-QANKJYHBSA-N 0 0 329.444 3.996 10 0 EHAERN Cc1ccc2cccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2n1 ZINC000247268429 1028769586 /nfs/dbraw/zinc/76/95/86/1028769586.db2.gz GQSVVAPTUOFJBO-UXLLHSPISA-N 0 0 325.412 3.622 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)cc(C(F)(F)F)c1 ZINC000247628060 1028804931 /nfs/dbraw/zinc/80/49/31/1028804931.db2.gz UMUCKFIWPFPOFW-BFHYXJOUSA-N 0 0 331.309 3.532 10 0 EHAERN O=C(Nc1ccccc1Br)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247652910 1028807331 /nfs/dbraw/zinc/80/73/31/1028807331.db2.gz WRCHOKPFFKIAFE-ZKYQVNSYSA-N 0 0 339.233 3.528 10 0 EHAERN COCCN(CC(C)C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000247842169 1028818252 /nfs/dbraw/zinc/81/82/52/1028818252.db2.gz LHSBZVNDIKPMEX-UHFFFAOYSA-N 0 0 348.418 3.544 10 0 EHAERN C[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@@H](c2ccsc2)O1 ZINC000248388457 1028878427 /nfs/dbraw/zinc/87/84/27/1028878427.db2.gz RBMCYGIMBYJTQB-WBMJQRKESA-N 0 0 344.484 3.514 10 0 EHAERN Cc1cnc([C@H](C)CNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)s1 ZINC000248553021 1028887675 /nfs/dbraw/zinc/88/76/75/1028887675.db2.gz HICFSTYOISJYFE-IOASZLSFSA-N 0 0 329.469 3.958 10 0 EHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248433887 1028901698 /nfs/dbraw/zinc/90/16/98/1028901698.db2.gz QXVIBGAGEDXKNP-YNEHKIRRSA-N 0 0 331.382 3.748 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@H]([C@H]1CCCO1)C(F)(F)F ZINC000245613589 1028926649 /nfs/dbraw/zinc/92/66/49/1028926649.db2.gz LYYGDEUOPREKMB-LSCVPOLPSA-N 0 0 334.359 3.813 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248633652 1028931696 /nfs/dbraw/zinc/93/16/96/1028931696.db2.gz JAJBYKNRZHZXPL-RFUYNDQBSA-N 0 0 346.446 3.562 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(-c2ccc(F)cc2)cc1F ZINC000251861935 1029164801 /nfs/dbraw/zinc/16/48/01/1029164801.db2.gz OHIYPQYOMOCDCD-UHOSZYNNSA-N 0 0 343.373 3.929 10 0 EHAERN COc1cccc(C2(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)CCCC2)c1 ZINC000252663134 1029220003 /nfs/dbraw/zinc/22/00/03/1029220003.db2.gz FYWPYVWKCBQXTB-IPMKNSEASA-N 0 0 343.467 3.581 10 0 EHAERN CN(C(=O)/C=C/c1cccc2cccnc12)[C@@H]1CCCc2c1cnn2C ZINC000154564893 1029237587 /nfs/dbraw/zinc/23/75/87/1029237587.db2.gz IKCBJVJQZIFHCG-IENJSVCTSA-N 0 0 346.434 3.518 10 0 EHAERN COCc1ccccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078187726 1029240097 /nfs/dbraw/zinc/24/00/97/1029240097.db2.gz UNTMEJZKVDRVOE-QAPCUYQASA-N 0 0 339.435 3.860 10 0 EHAERN CCN(CC(=O)N1CCC[C@H]1c1cccs1)Cc1cccs1 ZINC000078395188 1029310136 /nfs/dbraw/zinc/31/01/36/1029310136.db2.gz AOSRBCBZYIKJBC-HNNXBMFYSA-N 0 0 334.510 3.995 10 0 EHAERN C/C=C(/CC)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000588571744 1029447176 /nfs/dbraw/zinc/44/71/76/1029447176.db2.gz PKBWSQQWPMWRMK-BASWHVEKSA-N 0 0 341.377 3.542 10 0 EHAERN C[C@H](C1CC1)N(C(=O)NC1CCN(c2cccs2)CC1)C1CC1 ZINC000155461807 1029545727 /nfs/dbraw/zinc/54/57/27/1029545727.db2.gz XHWUEDWAKOLFMR-CYBMUJFWSA-N 0 0 333.501 3.689 10 0 EHAERN O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246087148 1029639615 /nfs/dbraw/zinc/63/96/15/1029639615.db2.gz WBJHNMMFFKQZQJ-OWYVNGRQSA-N 0 0 342.773 3.697 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)Nc3cccc(C)c3)CC2)n1 ZINC000090474340 1030123465 /nfs/dbraw/zinc/12/34/65/1030123465.db2.gz WQEGPWARCABLGT-UHFFFAOYSA-N 0 0 326.444 3.752 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000092993431 1030548022 /nfs/dbraw/zinc/54/80/22/1030548022.db2.gz SGVLEQHTVPKNJD-GOSISDBHSA-N 0 0 335.451 3.708 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000170671907 1030693644 /nfs/dbraw/zinc/69/36/44/1030693644.db2.gz NEAMCAJXVJBBPZ-PZAIXRNCSA-N 0 0 325.412 3.546 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2ccccc2N(C)C)c2ccccc2)[nH]1 ZINC000093944370 1030698598 /nfs/dbraw/zinc/69/85/98/1030698598.db2.gz GLJNFCFHQPQQAJ-AUUYWEPGSA-N 0 0 335.455 3.619 10 0 EHAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171647152 1030771798 /nfs/dbraw/zinc/77/17/98/1030771798.db2.gz BLIMIUNBJPGYST-LLVKDONJSA-N 0 0 336.844 3.825 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cnc(-c2ccco2)s1 ZINC000171538379 1030792201 /nfs/dbraw/zinc/79/22/01/1030792201.db2.gz VKXOOIDNFKOHSX-UHFFFAOYSA-N 0 0 338.348 3.705 10 0 EHAERN O=C(CCc1cccc(F)c1F)N1CCC(Cc2ccccn2)CC1 ZINC000171611149 1030799839 /nfs/dbraw/zinc/79/98/39/1030799839.db2.gz NZZZJDRLWVBZRH-UHFFFAOYSA-N 0 0 344.405 3.774 10 0 EHAERN CCO[C@H](C(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000171722779 1030811510 /nfs/dbraw/zinc/81/15/10/1030811510.db2.gz RKKMOVVZQMALDT-CVEARBPZSA-N 0 0 330.453 3.627 10 0 EHAERN O=C([C@H]1COc2ccccc2C1)N1CC=C(c2cccs2)CC1 ZINC000172093806 1030831421 /nfs/dbraw/zinc/83/14/21/1030831421.db2.gz FWWLOBULMQFIRJ-MRXNPFEDSA-N 0 0 325.433 3.615 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)nc1 ZINC000157809712 1030862160 /nfs/dbraw/zinc/86/21/60/1030862160.db2.gz MGJMVTWGDQBSOJ-UHFFFAOYSA-N 0 0 345.446 3.942 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ncccc3C)C2)cc1 ZINC000172637734 1030951898 /nfs/dbraw/zinc/95/18/98/1030951898.db2.gz KUKUVSIOLCNKLJ-HOCLYGCPSA-N 0 0 325.412 3.809 10 0 EHAERN COc1ccc(OC)c(CCC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116046183 1030983930 /nfs/dbraw/zinc/98/39/30/1030983930.db2.gz VPSJRJBTZZCCRU-MRXNPFEDSA-N 0 0 329.396 3.593 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1cccs1 ZINC000247585562 1031149742 /nfs/dbraw/zinc/14/97/42/1031149742.db2.gz MEGSPDCIYANBRU-ILXRZTDVSA-N 0 0 332.473 3.688 10 0 EHAERN O=C(c1cccnc1Cl)N1CCC(Nc2ccccc2F)CC1 ZINC000174078742 1031163180 /nfs/dbraw/zinc/16/31/80/1031163180.db2.gz PEWIJEGUGBSEAJ-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN C[C@H](Oc1ccccc1)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174086121 1031163233 /nfs/dbraw/zinc/16/32/33/1031163233.db2.gz HEPUHPLFGOZORT-HNNXBMFYSA-N 0 0 342.414 3.696 10 0 EHAERN O=C(NCc1cccc(-c2ccccn2)c1)N[C@@H]1COc2ccccc21 ZINC000158194032 1031164196 /nfs/dbraw/zinc/16/41/96/1031164196.db2.gz YBFIQVXOGPTNDM-LJQANCHMSA-N 0 0 345.402 3.682 10 0 EHAERN Cc1ccc(CCC2CCN(C(=O)c3ncncc3Cl)CC2)cc1 ZINC000175109394 1031277148 /nfs/dbraw/zinc/27/71/48/1031277148.db2.gz WQCHGVHKCXCXFS-UHFFFAOYSA-N 0 0 343.858 3.923 10 0 EHAERN C[S@@](=O)c1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000175805520 1031382720 /nfs/dbraw/zinc/38/27/20/1031382720.db2.gz CBIVSPKHLORQLO-XMMPIXPASA-N 0 0 340.448 3.745 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CC[C@H](Nc4ccccc4)C3)nc21 ZINC000176191986 1031392989 /nfs/dbraw/zinc/39/29/89/1031392989.db2.gz BKBSDEPOLAYVCM-KRWDZBQOSA-N 0 0 348.450 3.517 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000176291561 1031423421 /nfs/dbraw/zinc/42/34/21/1031423421.db2.gz TXTIIGRNXWXROT-TUQDCPSNSA-N 0 0 325.412 3.575 10 0 EHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)c1 ZINC000176746633 1031455671 /nfs/dbraw/zinc/45/56/71/1031455671.db2.gz MLNNGUWRLKFZGN-SGQUHAKNSA-N 0 0 341.407 3.680 10 0 EHAERN O=c1cc(N2CCC[C@@H]2c2ccccc2Cl)nc2ccccn12 ZINC000176804421 1031489954 /nfs/dbraw/zinc/48/99/54/1031489954.db2.gz KJLQOEJAQADPEK-OAHLLOKOSA-N 0 0 325.799 3.689 10 0 EHAERN C[C@H]1C[C@H](c2noc(CN3CCc4ccccc4C3=O)n2)C[C@@H](C)C1 ZINC000329633449 1031508769 /nfs/dbraw/zinc/50/87/69/1031508769.db2.gz XEHFHXCZUCRMCG-FOLVSLTJSA-N 0 0 339.439 3.808 10 0 EHAERN O=C(NCC(F)(F)F)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000177235960 1031523968 /nfs/dbraw/zinc/52/39/68/1031523968.db2.gz GXODWZMHIRBRFM-LSDHHAIUSA-N 0 0 344.377 3.627 10 0 EHAERN Cc1ccc([C@@H]2CN(CC(=O)Nc3c(C)cc(C)cc3C)CCO2)o1 ZINC000158739615 1031596898 /nfs/dbraw/zinc/59/68/98/1031596898.db2.gz LGRZACZIASUYPY-SFHVURJKSA-N 0 0 342.439 3.525 10 0 EHAERN O=C(CCCCCc1cccs1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178659266 1031712591 /nfs/dbraw/zinc/71/25/91/1031712591.db2.gz PXZGOMSLQJZRFR-PKOBYXMFSA-N 0 0 329.465 3.626 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)c1ccccn1 ZINC000179093992 1031732048 /nfs/dbraw/zinc/73/20/48/1031732048.db2.gz SVLKINPHSQAOQC-XJKSGUPXSA-N 0 0 345.830 3.659 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N(Cc1cccnc1)C1CC1 ZINC000179505320 1031781047 /nfs/dbraw/zinc/78/10/47/1031781047.db2.gz XWOLHBLWHBMGEZ-UHFFFAOYSA-N 0 0 333.395 3.668 10 0 EHAERN Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)nc1)CCCO2 ZINC000180040683 1031834914 /nfs/dbraw/zinc/83/49/14/1031834914.db2.gz XEIIBOMZUIGOJA-GOSISDBHSA-N 0 0 339.439 3.552 10 0 EHAERN COc1ccc(OC)c(CC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117722969 1031843760 /nfs/dbraw/zinc/84/37/60/1031843760.db2.gz OFZPDTPAJPXFBJ-UHFFFAOYSA-N 0 0 343.448 3.624 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000117758409 1031850680 /nfs/dbraw/zinc/85/06/80/1031850680.db2.gz ZCEOWNURMNNVMQ-KZULUSFZSA-N 0 0 337.375 3.505 10 0 EHAERN CC(C)[C@H]1CC[C@H](c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)CC1 ZINC000329703121 1031883904 /nfs/dbraw/zinc/88/39/04/1031883904.db2.gz IDWCVQMFCXMNAW-QAETUUGQSA-N 0 0 333.476 3.925 10 0 EHAERN Cc1cccc(C)c1CC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000180595052 1031888158 /nfs/dbraw/zinc/88/81/58/1031888158.db2.gz NGMOAYUIVZLHDH-WMZOPIPTSA-N 0 0 327.424 3.554 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3c(C4CC4)nc4sccn34)CCO2)o1 ZINC000180642977 1031896245 /nfs/dbraw/zinc/89/62/45/1031896245.db2.gz IWNCAYVWRZBPJH-MRXNPFEDSA-N 0 0 343.452 3.748 10 0 EHAERN O=C(CCn1cnc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117856435 1031911596 /nfs/dbraw/zinc/91/15/96/1031911596.db2.gz WWLUZDWHQFTWHK-UHFFFAOYSA-N 0 0 337.448 3.804 10 0 EHAERN C[C@@H](C(=O)NCc1cccs1)N1CC=C(c2cccs2)CC1 ZINC000117894944 1031919726 /nfs/dbraw/zinc/91/97/26/1031919726.db2.gz POPLFKIHEZCFBB-ZDUSSCGKSA-N 0 0 332.494 3.604 10 0 EHAERN C/C(=C\c1ccc(C)cc1)C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000181315940 1031970284 /nfs/dbraw/zinc/97/02/84/1031970284.db2.gz RCDISTHGLABAKB-OKACTXMXSA-N 0 0 338.455 3.765 10 0 EHAERN CN1C(=O)C[C@H](NC/C(Cl)=C\Cl)[C@H]1c1ccc(Cl)cc1 ZINC000588589959 1031978939 /nfs/dbraw/zinc/97/89/39/1031978939.db2.gz YVMYONMEVRCUSV-CGVJRUOMSA-N 0 0 333.646 3.520 10 0 EHAERN Cc1cc(C)c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c(Cl)n1 ZINC000181775229 1032031979 /nfs/dbraw/zinc/03/19/79/1032031979.db2.gz RQDUZPPNCHDFCO-UHFFFAOYSA-N 0 0 326.787 3.994 10 0 EHAERN CC(C)(C)NC(=O)CSCCOc1ccccc1C(F)(F)F ZINC000105635427 1033502186 /nfs/dbraw/zinc/50/21/86/1033502186.db2.gz JHAFNDVTMCCMMZ-UHFFFAOYSA-N 0 0 335.391 3.732 10 0 EHAERN CCOc1ccc(CNC(=O)[C@H](C)c2cccc(OC)c2)cc1F ZINC000105984618 1033533137 /nfs/dbraw/zinc/53/31/37/1033533137.db2.gz SRDFWSBNLHLQCP-CYBMUJFWSA-N 0 0 331.387 3.653 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)c2ccnc(SC)c2)cc1C ZINC000101529646 1033742555 /nfs/dbraw/zinc/74/25/55/1033742555.db2.gz MGXJGGOFRXRUAM-UHFFFAOYSA-N 0 0 330.453 3.701 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(Br)cc1 ZINC000101526407 1033749016 /nfs/dbraw/zinc/74/90/16/1033749016.db2.gz CFSZQCLIDGOAJL-UHFFFAOYSA-N 0 0 344.168 3.751 10 0 EHAERN CCc1noc(CC)c1CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000087170678 1034115509 /nfs/dbraw/zinc/11/55/09/1034115509.db2.gz NTECSKPFGMHJEA-UHFFFAOYSA-N 0 0 339.439 3.798 10 0 EHAERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H](C)c1nccs1 ZINC000088560430 1034207622 /nfs/dbraw/zinc/20/76/22/1034207622.db2.gz ACRKZQRVEYFXQP-DZGCQCFKSA-N 0 0 344.484 3.644 10 0 EHAERN Cc1ncc(C(=O)N2CC=C(c3ccccc3F)CC2)c(C(C)C)n1 ZINC000186136715 1035589626 /nfs/dbraw/zinc/58/96/26/1035589626.db2.gz USERAYSAAPPYSV-UHFFFAOYSA-N 0 0 339.414 3.977 10 0 EHAERN O=C(c1cc2ccccc2[nH]c1=O)N1CC=C(c2ccccc2F)CC1 ZINC000186128709 1035589671 /nfs/dbraw/zinc/58/96/71/1035589671.db2.gz UGRDLYKMDBTKHE-UHFFFAOYSA-N 0 0 348.377 3.597 10 0 EHAERN CC(C)[C@@H](C(=O)N1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000186409366 1035630770 /nfs/dbraw/zinc/63/07/70/1035630770.db2.gz VYCGCAKEEYQRID-HXUWFJFHSA-N 0 0 337.467 3.560 10 0 EHAERN O=C(C[C@@H]1CCCc2ccccc21)N1CCCN(c2ccccn2)CC1 ZINC000186377399 1035648213 /nfs/dbraw/zinc/64/82/13/1035648213.db2.gz OVWFSKMASFUBAT-IBGZPJMESA-N 0 0 349.478 3.631 10 0 EHAERN Cc1c2cccc(C)c2oc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186397023 1035650922 /nfs/dbraw/zinc/65/09/22/1035650922.db2.gz DETWZBBCVODTFR-UHFFFAOYSA-N 0 0 349.434 3.797 10 0 EHAERN COc1ccc(OC)c([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186553245 1035657584 /nfs/dbraw/zinc/65/75/84/1035657584.db2.gz CAQFGCGGCVDMQZ-GFCCVEGCSA-N 0 0 341.411 3.854 10 0 EHAERN O=C(CCN1CCO[C@@H](c2cccc(F)c2)C1)c1ccc(F)cc1F ZINC000186932426 1035724013 /nfs/dbraw/zinc/72/40/13/1035724013.db2.gz RYVDKXZTLYLYPD-LJQANCHMSA-N 0 0 349.352 3.750 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1c1cccn1C ZINC000186853224 1035731090 /nfs/dbraw/zinc/73/10/90/1035731090.db2.gz VSWISNLWGZTMSW-CYBMUJFWSA-N 0 0 347.440 3.551 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(C)n(C(C)(C)C)n2)cs1 ZINC000187119315 1035764047 /nfs/dbraw/zinc/76/40/47/1035764047.db2.gz OCWCHIPEEBUBKH-HNNXBMFYSA-N 0 0 332.473 3.689 10 0 EHAERN COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187114988 1035765377 /nfs/dbraw/zinc/76/53/77/1035765377.db2.gz KYMLCIAFLUIJGT-HNNXBMFYSA-N 0 0 346.452 3.511 10 0 EHAERN CC(C)(C)N(Cc1cccnc1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000187495036 1035832939 /nfs/dbraw/zinc/83/29/39/1035832939.db2.gz KQVVCDXLJGLGNX-LJQANCHMSA-N 0 0 338.451 3.913 10 0 EHAERN Cc1nn(C)cc1N[C@H]1CCCOc2ccc(Br)cc21 ZINC000187777685 1035858910 /nfs/dbraw/zinc/85/89/10/1035858910.db2.gz SAAFZWDIEXBFGI-ZDUSSCGKSA-N 0 0 336.233 3.817 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)COc1cccc2cccnc21 ZINC000188105865 1035895959 /nfs/dbraw/zinc/89/59/59/1035895959.db2.gz SVLFVEQRYNIWCX-KRWDZBQOSA-N 0 0 348.402 3.562 10 0 EHAERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188598926 1035931085 /nfs/dbraw/zinc/93/10/85/1035931085.db2.gz XCNHCKFECFLZNJ-SJKOYZFVSA-N 0 0 338.407 3.696 10 0 EHAERN CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000188865476 1035991464 /nfs/dbraw/zinc/99/14/64/1035991464.db2.gz YAOKBXKTLQJHRJ-INIZCTEOSA-N 0 0 330.432 3.706 10 0 EHAERN CC(C)[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000188865498 1035993722 /nfs/dbraw/zinc/99/37/22/1035993722.db2.gz YAOKBXKTLQJHRJ-MRXNPFEDSA-N 0 0 330.432 3.706 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000189476916 1036068159 /nfs/dbraw/zinc/06/81/59/1036068159.db2.gz GJBLGBSOUUOSQV-RISCZKNCSA-N 0 0 331.441 3.595 10 0 EHAERN CC(C)c1csc(CNC(=O)N[C@H]2CCCc3c(O)cccc32)n1 ZINC000189596159 1036095813 /nfs/dbraw/zinc/09/58/13/1036095813.db2.gz ZBGYKWOVXKPOSQ-AWEZNQCLSA-N 0 0 345.468 3.849 10 0 EHAERN O=C(c1cc(F)ccc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189782301 1036125035 /nfs/dbraw/zinc/12/50/35/1036125035.db2.gz GUCMXLDXQVEVBC-UHFFFAOYSA-N 0 0 329.346 3.673 10 0 EHAERN CC(C)(C)c1nc(CN2CCC(Nc3nccs3)CC2)cs1 ZINC000189958799 1036166515 /nfs/dbraw/zinc/16/65/15/1036166515.db2.gz ZNBDOVGFLXAHQH-UHFFFAOYSA-N 0 0 336.530 3.974 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000189959842 1036168211 /nfs/dbraw/zinc/16/82/11/1036168211.db2.gz FAIPGKDPFUXHLH-NFAHFFEMSA-N 0 0 328.799 3.697 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc4ccn(C)c43)CCO2)o1 ZINC000190047058 1036186040 /nfs/dbraw/zinc/18/60/40/1036186040.db2.gz LAXBQNZSQLYLAA-QGZVFWFLSA-N 0 0 339.395 3.685 10 0 EHAERN CCOCCOCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000102309345 1036200806 /nfs/dbraw/zinc/20/08/06/1036200806.db2.gz DZZZDGWBPHQKSW-MRXNPFEDSA-N 0 0 347.377 3.572 10 0 EHAERN C/C(=C\C(=O)N1CCC(Nc2nccs2)CC1)c1ccc(F)cc1 ZINC000190371889 1036230086 /nfs/dbraw/zinc/23/00/86/1036230086.db2.gz DQRJZSAHUIGSGW-OUKQBFOZSA-N 0 0 345.443 3.789 10 0 EHAERN O=C(C/C=C/c1ccc(F)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190401940 1036234996 /nfs/dbraw/zinc/23/49/96/1036234996.db2.gz OHKAOZJBLZOGTI-OWOJBTEDSA-N 0 0 345.443 3.789 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccnn1C(C)(C)C ZINC000190614924 1036268722 /nfs/dbraw/zinc/26/87/22/1036268722.db2.gz IDBHHLKCRUITEK-AWEZNQCLSA-N 0 0 328.416 3.592 10 0 EHAERN C[C@H]1CC(CNC(=O)N[C@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000332857472 1036321236 /nfs/dbraw/zinc/32/12/36/1036321236.db2.gz CIPLOVRITGGHDX-LXIYXOSZSA-N 0 0 334.435 3.706 10 0 EHAERN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191203383 1036347893 /nfs/dbraw/zinc/34/78/93/1036347893.db2.gz ZPDNJJRAYJDEDZ-GFCCVEGCSA-N 0 0 345.393 3.587 10 0 EHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191211170 1036349894 /nfs/dbraw/zinc/34/98/94/1036349894.db2.gz XZUCFIHVTLFCBM-SMDDNHRTSA-N 0 0 347.409 3.814 10 0 EHAERN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000191236191 1036351898 /nfs/dbraw/zinc/35/18/98/1036351898.db2.gz KTRVMIHDLNKWSQ-WBMJQRKESA-N 0 0 343.427 3.526 10 0 EHAERN C[C@]1(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCO[C@H]1C1CC1 ZINC000332875199 1036369698 /nfs/dbraw/zinc/36/96/98/1036369698.db2.gz SDRACCJAKOGRSW-KNBMTAEXSA-N 0 0 344.455 3.546 10 0 EHAERN O=C(Cc1ccccc1O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191530040 1036409399 /nfs/dbraw/zinc/40/93/99/1036409399.db2.gz PEHCDJBUACZSQS-CQSZACIVSA-N 0 0 331.362 3.619 10 0 EHAERN Cc1cccc(-c2noc(CN[C@H]3CCO[C@@H]3c3ccccc3)n2)c1 ZINC000191956358 1036448416 /nfs/dbraw/zinc/44/84/16/1036448416.db2.gz ZMMQRZHKOVDYGH-PKOBYXMFSA-N 0 0 335.407 3.665 10 0 EHAERN O[C@H](CN1CC2(CCOCC2)c2ccccc21)c1ccc(F)cc1F ZINC000192288900 1036493032 /nfs/dbraw/zinc/49/30/32/1036493032.db2.gz XQIYLEAOCKFBQL-LJQANCHMSA-N 0 0 345.389 3.567 10 0 EHAERN CC(C)(C)Oc1ccncc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000192820559 1036555897 /nfs/dbraw/zinc/55/58/97/1036555897.db2.gz SQCXBNPFKTZRRT-AWEZNQCLSA-N 0 0 325.412 3.713 10 0 EHAERN COc1cccc(CNC(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000103312229 1036885056 /nfs/dbraw/zinc/88/50/56/1036885056.db2.gz NBBZSIJYMLDVMP-UHFFFAOYSA-N 0 0 345.830 3.622 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Nc1cccnc1OC(C)C ZINC000105004490 1037126057 /nfs/dbraw/zinc/12/60/57/1037126057.db2.gz ONNULBSUAURXLI-UHFFFAOYSA-N 0 0 343.427 3.584 10 0 EHAERN COc1ccc(CN(Cc2nc(-c3ccoc3)no2)C2CC2)cc1 ZINC000105607653 1037202941 /nfs/dbraw/zinc/20/29/41/1037202941.db2.gz VXGBSHMLFGZUGS-UHFFFAOYSA-N 0 0 325.368 3.503 10 0 EHAERN c1cc(-c2noc(CN(Cc3ccccc3)C[C@@H]3CCCO3)n2)co1 ZINC000105608378 1037205099 /nfs/dbraw/zinc/20/50/99/1037205099.db2.gz VCZDBAKLSWMRKH-KRWDZBQOSA-N 0 0 339.395 3.511 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2ccc(C)c(Cl)c2)c2ccccc2)[nH]1 ZINC000103279948 1037589469 /nfs/dbraw/zinc/58/94/69/1037589469.db2.gz NSZQVKGEXCFYRJ-INIZCTEOSA-N 0 0 340.814 3.594 10 0 EHAERN Clc1cc(CN2CCCC[C@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114484406 1037802135 /nfs/dbraw/zinc/80/21/35/1037802135.db2.gz GIVPUMRBWGMWDC-INIZCTEOSA-N 0 0 333.819 3.657 10 0 EHAERN O=C(NCCSc1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114820117 1037809483 /nfs/dbraw/zinc/80/94/83/1037809483.db2.gz YBRLQOBTKWYWOX-CQSZACIVSA-N 0 0 347.509 3.824 10 0 EHAERN Cc1ccccc1C[C@@H](C)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114824413 1037811083 /nfs/dbraw/zinc/81/10/83/1037811083.db2.gz MAKHKQIWCUUDRJ-NVXWUHKLSA-N 0 0 343.496 3.972 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N[C@H]1CCOC2(CCCC2)C1 ZINC000179486883 1037814202 /nfs/dbraw/zinc/81/42/02/1037814202.db2.gz MYOKVHZIFLLSSW-HNNXBMFYSA-N 0 0 340.427 3.690 10 0 EHAERN CN1CC[C@H](CNC(=O)C(C)(C)c2cccs2)c2ccccc21 ZINC000115039690 1037816036 /nfs/dbraw/zinc/81/60/36/1037816036.db2.gz ZSEUTYOAIOLRJU-CQSZACIVSA-N 0 0 328.481 3.766 10 0 EHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H](c3cccs3)C(C)(C)C)C2)cn1 ZINC000116533564 1037840672 /nfs/dbraw/zinc/84/06/72/1037840672.db2.gz KNWAMGLLNYPNCY-CZUORRHYSA-N 0 0 346.500 3.768 10 0 EHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)C2)cn1 ZINC000116533565 1037841037 /nfs/dbraw/zinc/84/10/37/1037841037.db2.gz KNWAMGLLNYPNCY-CJNGLKHVSA-N 0 0 346.500 3.768 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCCCOCc1ccccc1 ZINC000117637151 1037858589 /nfs/dbraw/zinc/85/85/89/1037858589.db2.gz WTWCGXVCKWZVCY-UZLBHIALSA-N 0 0 339.435 3.664 10 0 EHAERN COc1ccc(C)cc1NC(=O)CN1CC=C(c2cccs2)CC1 ZINC000117896410 1037863579 /nfs/dbraw/zinc/86/35/79/1037863579.db2.gz GPYGVFFDKZSEFE-UHFFFAOYSA-N 0 0 342.464 3.793 10 0 EHAERN O=C(N[C@@H]1CCCC12CCOCC2)N[C@H]1CCCc2cc(F)ccc21 ZINC000332680841 1037951480 /nfs/dbraw/zinc/95/14/80/1037951480.db2.gz FQQPEGVQGFYJOS-ZWKOTPCHSA-N 0 0 346.446 3.852 10 0 EHAERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000332968922 1037966015 /nfs/dbraw/zinc/96/60/15/1037966015.db2.gz IZDFFWQKIVJVTH-KCQAQPDRSA-N 0 0 349.356 3.726 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccncc3C)C2)cc1 ZINC000122049640 1037975910 /nfs/dbraw/zinc/97/59/10/1037975910.db2.gz HNLMTRAKZXZTGD-HOCLYGCPSA-N 0 0 325.412 3.809 10 0 EHAERN CC[C@@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccc(F)cc1 ZINC000123883250 1038096529 /nfs/dbraw/zinc/09/65/29/1038096529.db2.gz RADYRSDKQWJBLU-SJLPKXTDSA-N 0 0 331.387 3.821 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000125025545 1039130118 /nfs/dbraw/zinc/13/01/18/1039130118.db2.gz PBIXVFCNIIZQPK-OAGGEKHMSA-N 0 0 347.507 3.750 10 0 EHAERN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000150951542 1039595979 /nfs/dbraw/zinc/59/59/79/1039595979.db2.gz URVWSLWROMYXIC-DAYGRLMNSA-N 0 0 344.455 3.516 10 0 EHAERN Cc1nc(C)c(C(=O)N2CC[C@H](c3cn(C)c4ccccc34)C2)nc1C ZINC000364064983 1039609301 /nfs/dbraw/zinc/60/93/01/1039609301.db2.gz TUGCQXQSBMVOAF-INIZCTEOSA-N 0 0 348.450 3.523 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H](C)c1ccccc1 ZINC000151094007 1039728825 /nfs/dbraw/zinc/72/88/25/1039728825.db2.gz LVGWFGILBDMWDU-YNVMFWSZSA-N 0 0 330.472 3.515 10 0 EHAERN COc1ccccc1[C@H](C)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000408430739 1040036850 /nfs/dbraw/zinc/03/68/50/1040036850.db2.gz XPGDSTZBPRWGIT-HNNXBMFYSA-N 0 0 346.471 3.889 10 0 EHAERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCS[C@@H](C)C3)c21 ZINC000171570398 1040735163 /nfs/dbraw/zinc/73/51/63/1040735163.db2.gz ZUEBDJNGTOAEGP-NSHDSACASA-N 0 0 345.468 3.801 10 0 EHAERN C[C@H](O)C1CCN(C(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000153025885 1040752442 /nfs/dbraw/zinc/75/24/42/1040752442.db2.gz JOFRSCLVRZBWRO-KSSFIOAISA-N 0 0 330.472 3.503 10 0 EHAERN CC(=O)N1CCc2cc(NC(=O)N3CCCCC(C)(C)C3)ccc21 ZINC000408443231 1040772506 /nfs/dbraw/zinc/77/25/06/1040772506.db2.gz OUZAYMREZKNSDT-UHFFFAOYSA-N 0 0 329.444 3.640 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c2ccccc21 ZINC000153062535 1041797184 /nfs/dbraw/zinc/79/71/84/1041797184.db2.gz UPEJRQRBSWDVMU-AQWZQNETSA-N 0 0 336.435 3.583 10 0 EHAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000408180129 1042158702 /nfs/dbraw/zinc/15/87/02/1042158702.db2.gz MVOQOQKZKBVIEJ-HZPDHXFCSA-N 0 0 326.396 3.877 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000408209210 1042575090 /nfs/dbraw/zinc/57/50/90/1042575090.db2.gz ZCMJMGWQIXRWME-WBVHZDCISA-N 0 0 341.455 3.804 10 0 EHAERN CCc1nnc(-c2ccc(NC(=O)N3CC[C@H]4CCC[C@H]43)cc2)o1 ZINC000330258592 1042647700 /nfs/dbraw/zinc/64/77/00/1042647700.db2.gz RLRVULNBPHLIEN-IUODEOHRSA-N 0 0 326.400 3.705 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000162540781 1042736589 /nfs/dbraw/zinc/73/65/89/1042736589.db2.gz VSEHRUDXYPLJIT-QGHHPUGFSA-N 0 0 346.356 3.971 10 0 EHAERN C[C@H]1C[C@H](c2noc(-c3csc(S(C)(=O)=O)c3)n2)C[C@@H](C)C1 ZINC000408224943 1042759230 /nfs/dbraw/zinc/75/92/30/1042759230.db2.gz IVEKTRBMSYPAGA-URLYPYJESA-N 0 0 340.470 3.741 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)COC3)o1 ZINC000408235709 1042817383 /nfs/dbraw/zinc/81/73/83/1042817383.db2.gz KLAFDXKCPIJANE-KRWDZBQOSA-N 0 0 347.436 3.534 10 0 EHAERN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330302505 1042865477 /nfs/dbraw/zinc/86/54/77/1042865477.db2.gz JNGTTXJIZKNPAQ-GRDNDAEWSA-N 0 0 326.444 3.725 10 0 EHAERN CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@@H]1O ZINC000408254049 1042869975 /nfs/dbraw/zinc/86/99/75/1042869975.db2.gz BOCDJEYUWOKPGC-SKDRFNHKSA-N 0 0 346.258 3.649 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC([C@H]2CCCO2)CC1 ZINC000408254198 1042870864 /nfs/dbraw/zinc/87/08/64/1042870864.db2.gz BVAPAQHCNGMSTK-CYBMUJFWSA-N 0 0 344.242 3.811 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)nn3C)C2)sc1C ZINC000408286029 1042964335 /nfs/dbraw/zinc/96/43/35/1042964335.db2.gz IXPUPORXQDKGNQ-CQSZACIVSA-N 0 0 346.500 3.637 10 0 EHAERN C[C@@H](NC(=O)N1C[C@H](C)OC(C)(C)C1)c1cc2cccc(F)c2o1 ZINC000408297323 1042991158 /nfs/dbraw/zinc/99/11/58/1042991158.db2.gz HROXICVOUUGWDS-NWDGAFQWSA-N 0 0 334.391 3.842 10 0 EHAERN Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408340375 1043350375 /nfs/dbraw/zinc/35/03/75/1043350375.db2.gz NYMOAQHXIXGMBA-SCLBCKFNSA-N 0 0 336.501 3.516 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc3ccccc3[nH]1)CCCC2 ZINC000279282192 1043697301 /nfs/dbraw/zinc/69/73/01/1043697301.db2.gz XPYJSFFHVLWVKN-LJQANCHMSA-N 0 0 348.450 3.758 10 0 EHAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000247520778 1043758593 /nfs/dbraw/zinc/75/85/93/1043758593.db2.gz WLDUBHMIXYJGRC-SQNIBIBYSA-N 0 0 344.503 3.781 10 0 EHAERN CCC(CC)c1cc(C(=O)Nc2cccc(-c3ncon3)c2)on1 ZINC000162872615 1043813935 /nfs/dbraw/zinc/81/39/35/1043813935.db2.gz NMEWQAPBCMQLMW-UHFFFAOYSA-N 0 0 326.356 3.881 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c2ccccc2)[nH]1 ZINC000163394334 1043942504 /nfs/dbraw/zinc/94/25/04/1043942504.db2.gz OEMKKCDRSZTYLY-FGTMMUONSA-N 0 0 338.455 3.535 10 0 EHAERN COc1ccccc1C(C)(C)NCc1nnc(-c2ccccc2)n1C ZINC000103483677 1127839400 /nfs/dbraw/zinc/83/94/00/1127839400.db2.gz YKZYZSNEIGTRAA-UHFFFAOYSA-N 0 0 336.439 3.516 10 0 EHAERN O=C(CC/C=C\c1ccccc1)N1Cc2cnnn2Cc2ccccc21 ZINC000588562073 1129477583 /nfs/dbraw/zinc/47/75/83/1129477583.db2.gz GXMPKKRYYJEOFM-WMZJFQQLSA-N 0 0 344.418 3.667 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@H](C)[C@@H]2CCCO2)cs1 ZINC000189202498 1132442625 /nfs/dbraw/zinc/44/26/25/1132442625.db2.gz GJDPKNFFKOOSKJ-DOMZBBRYSA-N 0 0 331.441 3.808 10 0 EHAERN Cc1ccc(CCCC(=O)OCc2nccn2CC(F)(F)F)cc1 ZINC000103219665 1132754547 /nfs/dbraw/zinc/75/45/47/1132754547.db2.gz BVAGKKHOANHYJF-UHFFFAOYSA-N 0 0 340.345 3.820 10 0 EHAERN COc1c(C)cc(CN(C)CN2C(=O)C[C@@H]2c2ccccc2)cc1C ZINC000101539182 1135349921 /nfs/dbraw/zinc/34/99/21/1135349921.db2.gz AZXSKFKVMFLXNR-LJQANCHMSA-N 0 0 338.451 3.675 10 0 EHAERN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)c1cccc(Cl)c1 ZINC000101568819 1135353921 /nfs/dbraw/zinc/35/39/21/1135353921.db2.gz RNPCUCQXRUWZSO-SNVBAGLBSA-N 0 0 345.251 3.569 10 0 EHAERN CCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102744490 1135639349 /nfs/dbraw/zinc/63/93/49/1135639349.db2.gz KDJXOQPDUUUYFH-PHIMTYICSA-N 0 0 330.350 3.668 10 0 EHAERN Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)C[C@H]1CCCO1 ZINC000102769945 1135646323 /nfs/dbraw/zinc/64/63/23/1135646323.db2.gz RZBURWPKVXZBPZ-MRXNPFEDSA-N 0 0 333.863 3.504 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1ccc(Cl)nc1Cl ZINC000105375819 1135945051 /nfs/dbraw/zinc/94/50/51/1135945051.db2.gz FPEHLGZZWFZANV-UHFFFAOYSA-N 0 0 339.222 3.712 10 0 EHAERN CSc1ccccc1[C@@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000282838101 1137871711 /nfs/dbraw/zinc/87/17/11/1137871711.db2.gz MXZOGIVKAFSQTG-SPYBWZPUSA-N 0 0 348.512 3.806 10 0 EHAERN CCCN(CC1CC1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567658 1137873413 /nfs/dbraw/zinc/87/34/13/1137873413.db2.gz AEPFLZQUUPFFGT-UHFFFAOYSA-N 0 0 345.418 3.855 10 0 EHAERN CCC(CC)(NC(=O)NCc1ccnn1C)c1ccc(Cl)cc1 ZINC000103605364 1137876797 /nfs/dbraw/zinc/87/67/97/1137876797.db2.gz OXZDRIIZAMECMD-UHFFFAOYSA-N 0 0 334.851 3.588 10 0 EHAERN CCN(C)C(=O)c1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000103734227 1137876966 /nfs/dbraw/zinc/87/69/66/1137876966.db2.gz GLDYBJUYFABQSU-CYBMUJFWSA-N 0 0 344.842 3.923 10 0 EHAERN CC(C)COC1CCN(C(=O)c2sccc2OC(F)F)CC1 ZINC000104289638 1137878071 /nfs/dbraw/zinc/87/80/71/1137878071.db2.gz LKEHHKUGNCUCND-UHFFFAOYSA-N 0 0 333.400 3.627 10 0 EHAERN CC(C)(C)NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000105632347 1137881406 /nfs/dbraw/zinc/88/14/06/1137881406.db2.gz ICOXFXCHJAVDBA-UHFFFAOYSA-N 0 0 339.848 3.538 10 0 EHAERN CCOc1ccc(CNC(=O)CCC(=O)c2cccs2)cc1F ZINC000105985467 1137882492 /nfs/dbraw/zinc/88/24/92/1137882492.db2.gz JJOALNRZUZNSQH-UHFFFAOYSA-N 0 0 335.400 3.565 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N[C@H]1CC12CCOCC2 ZINC000333041822 1137953657 /nfs/dbraw/zinc/95/36/57/1137953657.db2.gz AOORITZXEISENR-DLBZAZTESA-N 0 0 328.456 3.568 10 0 EHAERN CC(C)(c1noc(C2CCN(C(=O)N3CCCC3)CC2)n1)C1CCC1 ZINC000333263773 1138272243 /nfs/dbraw/zinc/27/22/43/1138272243.db2.gz UYFJFSROPBQUIS-UHFFFAOYSA-N 0 0 346.475 3.543 10 0 EHAERN CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@H]2CCCN2CC(F)(F)F)n1 ZINC000333355776 1138280359 /nfs/dbraw/zinc/28/03/59/1138280359.db2.gz CAEXHPFKPMOCLQ-IJLUTSLNSA-N 0 0 347.381 3.687 10 0 EHAERN CC(C)(C)c1csc(N2C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C2=O)n1 ZINC000333938807 1138350403 /nfs/dbraw/zinc/35/04/03/1138350403.db2.gz MUNGAFKOXFPMJY-WOPDTQHZSA-N 0 0 333.457 3.540 10 0 EHAERN COC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000186890588 1140226395 /nfs/dbraw/zinc/22/63/95/1140226395.db2.gz XKPSNQZSOYOGLR-HNNXBMFYSA-N 0 0 345.424 3.607 10 0 EHAERN Cc1c(CSC(C)C)cccc1NC(=O)N(C)CC1CC(O)C1 ZINC000190013231 1140379651 /nfs/dbraw/zinc/37/96/51/1140379651.db2.gz AYVUCCIDAXATSS-UHFFFAOYSA-N 0 0 336.501 3.871 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(-c3ccccc3)o2)C1 ZINC000190147761 1140389817 /nfs/dbraw/zinc/38/98/17/1140389817.db2.gz MRQVTTOOBINCPU-SJORKVTESA-N 0 0 339.395 3.600 10 0 EHAERN CCNc1cc(COC)nc2c(OC)ccc(Br)c12 ZINC000051698735 214101158 /nfs/dbraw/zinc/10/11/58/214101158.db2.gz NHNINTRASKGJAU-UHFFFAOYSA-N 0 0 325.206 3.584 10 0 EHAERN Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)c(OCC(F)(F)F)c1 ZINC000056660457 214383075 /nfs/dbraw/zinc/38/30/75/214383075.db2.gz FUNXRYLGUQYURX-YPMHNXCESA-N 0 0 346.349 3.625 10 0 EHAERN CCOC(=O)c1sc(Br)nc1Cc1ccccc1 ZINC000098177720 219086530 /nfs/dbraw/zinc/08/65/30/219086530.db2.gz FRFCNLRFCZAIFI-UHFFFAOYSA-N 0 0 326.215 3.673 10 0 EHAERN O=c1c2sccc2[n-]c(=S)n1Cc1cccc(C(F)(F)F)c1 ZINC000100090759 219090949 /nfs/dbraw/zinc/09/09/49/219090949.db2.gz YOXVJZPXFNWZDB-UHFFFAOYSA-N 0 0 342.367 3.814 10 0 EHAERN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc3sccc3c2)cc1 ZINC000004496137 210203117 /nfs/dbraw/zinc/20/31/17/210203117.db2.gz ADPVFUYDZFBLIQ-UHFFFAOYSA-N 0 0 345.445 3.622 10 0 EHAERN CCc1cc(NCc2ccccc2C)n2nc(-c3cccnc3)nc2n1 ZINC000064790944 214804306 /nfs/dbraw/zinc/80/43/06/214804306.db2.gz QPHPLJQULQVCPN-UHFFFAOYSA-N 0 0 344.422 3.669 10 0 EHAERN Nc1ccc(F)c(NC(=O)c2cc(F)ccc2Br)c1 ZINC000021958347 212266189 /nfs/dbraw/zinc/26/61/89/212266189.db2.gz AZHDWHZBXWKRQR-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN Cc1cc(C)c2c(c1)nc(C)cc2C(=O)Nc1cnc2n1CCCC2 ZINC000067894916 215243448 /nfs/dbraw/zinc/24/34/48/215243448.db2.gz AZWIYNIWEJSZNG-UHFFFAOYSA-N 0 0 334.423 3.945 10 0 EHAERN Nc1cccc(F)c1COc1ccccc1I ZINC000104053555 219341982 /nfs/dbraw/zinc/34/19/82/219341982.db2.gz MENHFBCXLXMWCT-UHFFFAOYSA-N 0 0 343.139 3.592 10 0 EHAERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@H](C)C(C)C)CC1=O ZINC000068682411 215326743 /nfs/dbraw/zinc/32/67/43/215326743.db2.gz SWWPLPKSJFAFLR-HRCADAONSA-N 0 0 330.472 3.714 10 0 EHAERN CCOc1ccc(N(C(=O)CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000040966250 213404617 /nfs/dbraw/zinc/40/46/17/213404617.db2.gz PVWFYHOFKHLRFT-UHFFFAOYSA-N 0 0 347.436 3.526 10 0 EHAERN COc1ccccc1Nc1ncnc(Oc2ccccc2OC)c1N ZINC000040781605 213386094 /nfs/dbraw/zinc/38/60/94/213386094.db2.gz WUCGYCGIAYKITI-UHFFFAOYSA-N 0 0 338.367 3.612 10 0 EHAERN Nc1c(NCc2ccc(Cl)cc2)[nH]cnc1=NNc1ccccc1 ZINC000040757499 213383561 /nfs/dbraw/zinc/38/35/61/213383561.db2.gz ZJEUUODSSOOTSU-UHFFFAOYSA-N 0 0 340.818 3.763 10 0 EHAERN COc1ccc(Oc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687470 213369731 /nfs/dbraw/zinc/36/97/31/213369731.db2.gz JHYCZEPEWJZHNK-UHFFFAOYSA-N 0 0 334.379 3.554 10 0 EHAERN Nc1c(Nc2cc(F)ccc2F)ncnc1N1CCc2ccccc21 ZINC000040687444 213369694 /nfs/dbraw/zinc/36/96/94/213369694.db2.gz QWOQQEXNQFOMFO-UHFFFAOYSA-N 0 0 339.349 3.775 10 0 EHAERN Cc1ccnc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)c1 ZINC000040701283 213371774 /nfs/dbraw/zinc/37/17/74/213371774.db2.gz FJSVYFNZJYTTKX-UHFFFAOYSA-N 0 0 328.464 3.624 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3cc(Cl)cc(Cl)c3)c2N)n1 ZINC000040701199 213371380 /nfs/dbraw/zinc/37/13/80/213371380.db2.gz IPUMFRVRTHZDLF-UHFFFAOYSA-N 0 0 349.225 3.912 10 0 EHAERN CCC(CC)[C@@H](C)NS(=O)(=O)c1sccc1Br ZINC000104434687 219387786 /nfs/dbraw/zinc/38/77/86/219387786.db2.gz BSLWYMKNVHAKOA-MRVPVSSYSA-N 0 0 340.308 3.614 10 0 EHAERN CCCCn1nc(Cc2ccc3c(c2)OCO3)c2ccccc2c1=O ZINC000040564237 213351152 /nfs/dbraw/zinc/35/11/52/213351152.db2.gz JUVRYOOCRHAVDB-UHFFFAOYSA-N 0 0 336.391 3.516 10 0 EHAERN COc1ccccc1NC(=O)c1cnc2c(C)c(Cl)ccc2c1O ZINC000040359325 213293947 /nfs/dbraw/zinc/29/39/47/213293947.db2.gz CSJLZBMGYFFMSY-UHFFFAOYSA-N 0 0 342.782 3.751 10 0 EHAERN O=C1O[C@@H](c2ccc(I)cc2)c2ccccc21 ZINC000038961807 213230800 /nfs/dbraw/zinc/23/08/00/213230800.db2.gz XNWFZRKLJMZTKY-ZDUSSCGKSA-N 0 0 336.128 3.551 10 0 EHAERN COc1cc2c(cc1OC)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000038618396 213217554 /nfs/dbraw/zinc/21/75/54/213217554.db2.gz KDHGPPUNXOHQLW-UHFFFAOYSA-N 0 0 345.439 3.999 10 0 EHAERN O=C(Cc1ccc(-c2cccc(F)c2)nc1)NCc1cccc(F)c1 ZINC000038278518 213206490 /nfs/dbraw/zinc/20/64/90/213206490.db2.gz FFSADQKZUMNKEK-UHFFFAOYSA-N 0 0 338.357 3.886 10 0 EHAERN Nc1cc(F)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000038001343 213186210 /nfs/dbraw/zinc/18/62/10/213186210.db2.gz HMKSWFPFQYDLRE-UHFFFAOYSA-N 0 0 329.158 3.732 10 0 EHAERN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccnc(Cl)c1 ZINC000038008504 213188229 /nfs/dbraw/zinc/18/82/29/213188229.db2.gz XZGSMLIFRPTUDW-UHFFFAOYSA-N 0 0 337.615 3.843 10 0 EHAERN COC(=O)[C@@](C)(NCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037973430 213177832 /nfs/dbraw/zinc/17/78/32/213177832.db2.gz DTGVBHHYQASFLH-NSHDSACASA-N 0 0 330.133 3.534 10 0 EHAERN CC[C@@](NC1CCCC1)(C(=O)OC)c1ccc(Br)cc1 ZINC000037969905 213177655 /nfs/dbraw/zinc/17/76/55/213177655.db2.gz DRYJVJUUHLJOHS-INIZCTEOSA-N 0 0 340.261 3.760 10 0 EHAERN COC(=O)[C@](C)(NCC(F)(F)F)c1cc(F)c(Cl)cc1Cl ZINC000037973658 213177561 /nfs/dbraw/zinc/17/75/61/213177561.db2.gz BRASPXFHDDFAHV-LLVKDONJSA-N 0 0 348.123 3.673 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N1CCC(CC)CC1 ZINC000037845968 213170675 /nfs/dbraw/zinc/17/06/75/213170675.db2.gz FCSBMKOMKALZJG-UHFFFAOYSA-N 0 0 327.266 3.923 10 0 EHAERN CCOc1cccc(NCc2ccc(I)o2)c1 ZINC000037780371 213166822 /nfs/dbraw/zinc/16/68/22/213166822.db2.gz VZFZFFALUAPONQ-UHFFFAOYSA-N 0 0 343.164 3.895 10 0 EHAERN CCN(CC)C(=O)[C@@H](C)Nc1ccc(Br)cc1Cl ZINC000037392384 213143765 /nfs/dbraw/zinc/14/37/65/213143765.db2.gz HCAHVSJKWPCOJQ-SECBINFHSA-N 0 0 333.657 3.771 10 0 EHAERN C[C@H](Nc1ccc(Br)cc1Cl)C(=O)NC(C)(C)C ZINC000037388680 213142825 /nfs/dbraw/zinc/14/28/25/213142825.db2.gz QZDJKNMDDKTMPU-QMMMGPOBSA-N 0 0 333.657 3.818 10 0 EHAERN Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000037192288 213135253 /nfs/dbraw/zinc/13/52/53/213135253.db2.gz VXPVBCLPLFIHBL-UHFFFAOYSA-N 0 0 328.224 3.701 10 0 EHAERN COc1cccc(CSc2ncc(CO)n2Cc2ccccc2)c1 ZINC000035730237 213047862 /nfs/dbraw/zinc/04/78/62/213047862.db2.gz UFZRFFGJJIZIIR-UHFFFAOYSA-N 0 0 340.448 3.725 10 0 EHAERN O=C(COc1ccc2c(c1)OCO2)c1ccc(Br)s1 ZINC000035183965 213012972 /nfs/dbraw/zinc/01/29/72/213012972.db2.gz DMIHTWOYQZKKCG-UHFFFAOYSA-N 0 0 341.182 3.501 10 0 EHAERN C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033449071 212940100 /nfs/dbraw/zinc/94/01/00/212940100.db2.gz VTCQBGAXBIWEKG-PRUHKGEBSA-N 0 0 339.366 3.936 10 0 EHAERN N[C@@H](c1cc(I)ccc1Cl)C(F)(F)F ZINC000072190926 216068216 /nfs/dbraw/zinc/06/82/16/216068216.db2.gz VSTQLSCATBLLAF-ZETCQYMHSA-N 0 0 335.494 3.507 10 0 EHAERN C[C@@H]1CCCCN1C(=O)/C=C1/Sc2ccc(Cl)cc2NC1=O ZINC000037291457 213139275 /nfs/dbraw/zinc/13/92/75/213139275.db2.gz GYQRBQGKUDQQHU-GMROUXNLSA-N 0 0 336.844 3.669 10 0 EHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cc(Br)ccc1C ZINC000037368204 213141895 /nfs/dbraw/zinc/14/18/95/213141895.db2.gz IPAWXOCNGDLYTL-LLVKDONJSA-N 0 0 327.266 3.863 10 0 EHAERN COc1ccc(OC)c([C@H]2C[C@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221792 209494631 /nfs/dbraw/zinc/49/46/31/209494631.db2.gz MMDOFDQAJZBIFV-ZIAGYGMSSA-N 0 0 342.424 3.503 10 0 EHAERN Nc1ccc(F)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000037376238 213143150 /nfs/dbraw/zinc/14/31/50/213143150.db2.gz WMZUQJSJYYVQHA-UHFFFAOYSA-N 0 0 341.216 3.577 10 0 EHAERN COCc1nn2cc3c(nc2c1-c1cccc(Cl)c1)CCCC3=O ZINC000072464077 216246847 /nfs/dbraw/zinc/24/68/47/216246847.db2.gz ZLNVHEQWFPHUSF-UHFFFAOYSA-N 0 0 341.798 3.715 10 0 EHAERN O=C1C[C@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CN1C1CCCC1 ZINC000023582031 212384700 /nfs/dbraw/zinc/38/47/00/212384700.db2.gz UCBDWTDHWUJKJB-ZDUSSCGKSA-N 0 0 329.831 3.989 10 0 EHAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000022677708 212316497 /nfs/dbraw/zinc/31/64/97/212316497.db2.gz OENXPCMTCGBUQF-PXAZEXFGSA-N 0 0 346.377 3.748 10 0 EHAERN COc1ccc2c(c1)-c1onc(C(=O)N3C[C@H](C)C[C@H](C)C3)c1CC2 ZINC000022620717 212312390 /nfs/dbraw/zinc/31/23/90/212312390.db2.gz ZCYXFQHNGFJYTH-BETUJISGSA-N 0 0 340.423 3.567 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1cc(F)ccc1Br ZINC000019874412 212079054 /nfs/dbraw/zinc/07/90/54/212079054.db2.gz WRMGPYYRBJVZQY-UHFFFAOYSA-N 0 0 349.203 3.763 10 0 EHAERN Cc1ccc(-n2ncc(C(=O)N3CCC(C)CC3)c2-n2cccc2)cc1 ZINC000015681362 211842845 /nfs/dbraw/zinc/84/28/45/211842845.db2.gz CWRWRKMLZYEZAD-UHFFFAOYSA-N 0 0 348.450 3.844 10 0 EHAERN COc1ccccc1/C=C/C(=O)NC(=S)Nc1cccc(C)c1C ZINC000012403335 211368741 /nfs/dbraw/zinc/36/87/41/211368741.db2.gz WFFZUDGEYINBIP-VAWYXSNFSA-N 0 0 340.448 3.838 10 0 EHAERN CC(C)(C)c1ccc(OCCOC(=O)c2cc(O)ccc2O)cc1 ZINC000090443458 217929959 /nfs/dbraw/zinc/92/99/59/217929959.db2.gz UISXAXCHPQDCCW-UHFFFAOYSA-N 0 0 330.380 3.631 10 0 EHAERN COc1ccc(CN2Cc3ccccc3O[C@H](C)C2)c(OC)c1C ZINC000012149329 211307766 /nfs/dbraw/zinc/30/77/66/211307766.db2.gz DPNWFJFWDOJSNU-CQSZACIVSA-N 0 0 327.424 3.795 10 0 EHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc2cccnc21 ZINC000010914557 211194897 /nfs/dbraw/zinc/19/48/97/211194897.db2.gz RYASIATUZGYWHZ-MRXNPFEDSA-N 0 0 349.415 3.676 10 0 EHAERN CC(=O)c1nc2ccccc2n1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095082696 218275048 /nfs/dbraw/zinc/27/50/48/218275048.db2.gz PSRJSAFROZOPPZ-UHFFFAOYSA-N 0 0 343.427 3.811 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2ccnc(Cl)n2)C1 ZINC000095085122 218276659 /nfs/dbraw/zinc/27/66/59/218276659.db2.gz HNAYIRKJWLTCGR-GFCCVEGCSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOCc1cnccn1 ZINC000095086310 218277283 /nfs/dbraw/zinc/27/72/83/218277283.db2.gz LAOHMVQKRRRWRH-MRXNPFEDSA-N 0 0 335.448 3.563 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1ccnc(Cl)n1 ZINC000095086322 218277479 /nfs/dbraw/zinc/27/74/79/218277479.db2.gz ZCWNPMRCJWOTJX-GFCCVEGCSA-N 0 0 341.839 3.689 10 0 EHAERN CC(C)(C)OC(=O)NC[C@H]1CCN(c2nsc3ccccc32)C1 ZINC000095087817 218278269 /nfs/dbraw/zinc/27/82/69/218278269.db2.gz OCIOOBNHIBQAFF-GFCCVEGCSA-N 0 0 333.457 3.647 10 0 EHAERN O=C(/C=C\c1ccc(Br)cc1)n1nnc2ccccc21 ZINC000096504534 218880813 /nfs/dbraw/zinc/88/08/13/218880813.db2.gz JGWMZCOZMHPOHW-YFHOEESVSA-N 0 0 328.169 3.547 10 0 EHAERN Cc1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ncc3c2)cn1 ZINC000117477961 221067980 /nfs/dbraw/zinc/06/79/80/221067980.db2.gz NNWOFHUCMPLQPA-UHFFFAOYSA-N 0 0 330.347 3.520 10 0 EHAERN O=C(c1ccsc1)N1C[C@@H]2CCC[C@]2(COCc2ccccn2)C1 ZINC000247858143 257676730 /nfs/dbraw/zinc/67/67/30/257676730.db2.gz LKPZWWMVLDULBZ-QFBILLFUSA-N 0 0 342.464 3.602 10 0 EHAERN CC(=O)C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2[C@H]1O ZINC000504727948 257705760 /nfs/dbraw/zinc/70/57/60/257705760.db2.gz HFMVGIJSWYLCLJ-KBAYOESNSA-N 0 0 344.794 3.672 10 0 EHAERN Cc1noc(C)c1Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299749067 258007709 /nfs/dbraw/zinc/00/77/09/258007709.db2.gz JBMRVDZXTQELPE-WMLDXEAASA-N 0 0 325.368 3.510 10 0 EHAERN Cc1ccc(Oc2ncnc(N3CCc4ccccc4C3)c2N)cc1 ZINC000040780645 132407057 /nfs/dbraw/zinc/40/70/57/132407057.db2.gz DGFNLFWNDKLOQF-UHFFFAOYSA-N 0 0 332.407 3.722 10 0 EHAERN COc1ccccc1NC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000041512132 524584862 /nfs/dbraw/zinc/58/48/62/524584862.db2.gz RTIQPTRCNQOLBC-UHFFFAOYSA-N 0 0 329.396 3.629 10 0 EHAERN O=C(Cc1csc(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041109399 527332479 /nfs/dbraw/zinc/33/24/79/527332479.db2.gz JZQUKFWFJAWYHQ-IAGOWNOFSA-N 0 0 342.464 3.523 10 0 EHAERN Cc1cc(C)cc(C(=O)N2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000065168753 563758049 /nfs/dbraw/zinc/75/80/49/563758049.db2.gz YAIXJIXIQJQLAR-UHFFFAOYSA-N 0 0 343.430 3.959 10 0 EHAERN CCc1cc2c(ncn(Cc3ccc(F)c4cccnc34)c2=O)s1 ZINC000024570182 563872545 /nfs/dbraw/zinc/87/25/45/563872545.db2.gz RXHVHKUDCKKOHM-UHFFFAOYSA-N 0 0 339.395 3.756 10 0 EHAERN CC(C)(C)OC(=O)NCc1noc2ccc(Br)cc12 ZINC000396184172 563962038 /nfs/dbraw/zinc/96/20/38/563962038.db2.gz RKQADGPLJSJHKE-UHFFFAOYSA-N 0 0 327.178 3.615 10 0 EHAERN CC1(C)O[C@H](COc2c3occc3cc3ccc(=O)oc32)C(C)(C)O1 ZINC000015273428 563982962 /nfs/dbraw/zinc/98/29/62/563982962.db2.gz YCWZUJWUYQAIBF-CYBMUJFWSA-N 0 0 344.363 3.848 10 0 biogenic EHAERN Cc1csc([C@@H]2CN(c3ncc(C(F)(F)F)s3)CCO2)n1 ZINC000241435196 564052009 /nfs/dbraw/zinc/05/20/09/564052009.db2.gz NLPJLKHWQQPYIN-QMMMGPOBSA-N 0 0 335.376 3.505 10 0 EHAERN COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(Br)c1 ZINC000261506792 564056188 /nfs/dbraw/zinc/05/61/88/564056188.db2.gz AYLBXTNTCQVTDN-UHFFFAOYSA-N 0 0 344.205 3.607 10 0 EHAERN CCc1c(NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)cnn1C1CCCC1 ZINC000575603167 564082268 /nfs/dbraw/zinc/08/22/68/564082268.db2.gz GDMPAEKWXWVQQU-ROUUACIJSA-N 0 0 346.475 3.736 10 0 EHAERN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C)CC1 ZINC000006807067 564098337 /nfs/dbraw/zinc/09/83/37/564098337.db2.gz UPZDDQRWUJRHRS-UHFFFAOYSA-N 0 0 348.450 3.844 10 0 EHAERN CCC1=NS(=O)(=O)c2cccnc2N1c1cccc(C(C)C)c1 ZINC000065255349 564103487 /nfs/dbraw/zinc/10/34/87/564103487.db2.gz YNUFXBXYMQDLMG-UHFFFAOYSA-N 0 0 329.425 3.854 10 0 EHAERN COc1ccc(NC(=O)CCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000048544614 564129330 /nfs/dbraw/zinc/12/93/30/564129330.db2.gz AYVLCNITFPAGGC-UHFFFAOYSA-N 0 0 349.814 3.937 10 0 EHAERN CC1=C(C#N)[C@H](c2ccncc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545956 564129366 /nfs/dbraw/zinc/12/93/66/564129366.db2.gz MGQRNQILQHZHRI-INIZCTEOSA-N 0 0 327.815 3.863 10 0 EHAERN CCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685962100 564177247 /nfs/dbraw/zinc/17/72/47/564177247.db2.gz UMIXXVWGASKUEK-RHSMWYFYSA-N 0 0 335.444 3.854 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)Cc3ccc(C)cc3)CCO2)o1 ZINC000182679258 1032118893 /nfs/dbraw/zinc/11/88/93/1032118893.db2.gz GVHOUFBIWPVVHV-HNAYVOBHSA-N 0 0 327.424 3.675 10 0 EHAERN CC[C@@]1(c2ccc(N[C@@H](C)c3ccoc3)cc2)CCC(=O)NC1=O ZINC000182740424 1032126366 /nfs/dbraw/zinc/12/63/66/1032126366.db2.gz PSBCZTWNIHVMOE-DJJJIMSYSA-N 0 0 326.396 3.537 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCCC1CCCCC1)C2 ZINC000112743705 1016043887 /nfs/dbraw/zinc/04/38/87/1016043887.db2.gz RNCKJZHMOYOELW-UHFFFAOYSA-N 0 0 332.492 3.582 10 0 EHAERN O=C(c1cc2cc(F)ccc2s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000177985444 1016507055 /nfs/dbraw/zinc/50/70/55/1016507055.db2.gz INUJHHZYRHVGSK-SCLBCKFNSA-N 0 0 333.428 3.808 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[nH]1 ZINC000407980785 1016687659 /nfs/dbraw/zinc/68/76/59/1016687659.db2.gz OCCDUOIQXGEBPA-AVGNSLFASA-N 0 0 344.381 3.535 10 0 EHAERN c1cc(-c2nc(CN3CCCN(c4ccccn4)CC3)cs2)co1 ZINC000183859222 1032235093 /nfs/dbraw/zinc/23/50/93/1032235093.db2.gz ZYPKFUDWBQNTMF-UHFFFAOYSA-N 0 0 340.452 3.510 10 0 EHAERN CCN(CC(F)F)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000184089201 1032251345 /nfs/dbraw/zinc/25/13/45/1032251345.db2.gz OBZZZAHMXMMDMY-UHFFFAOYSA-N 0 0 342.777 3.953 10 0 EHAERN CSc1cccc(C)c1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000184971587 1032348515 /nfs/dbraw/zinc/34/85/15/1032348515.db2.gz DNMJAVCMBQAWNQ-HNNXBMFYSA-N 0 0 343.452 3.797 10 0 EHAERN CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000081756517 1032665245 /nfs/dbraw/zinc/66/52/45/1032665245.db2.gz DCZRKZVIVZNTMZ-GOSISDBHSA-N 0 0 325.456 3.633 10 0 EHAERN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000408046866 1018263027 /nfs/dbraw/zinc/26/30/27/1018263027.db2.gz NJBVDJQAWPIQQM-CBZIJGRNSA-N 0 0 347.503 3.873 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC2(C1)CCCCCC2 ZINC000083750163 1018514056 /nfs/dbraw/zinc/51/40/56/1018514056.db2.gz LBZQXEYYCAEKNL-INIZCTEOSA-N 0 0 345.491 3.567 10 0 EHAERN COc1cc(F)c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1OC ZINC000333216702 1018874469 /nfs/dbraw/zinc/87/44/69/1018874469.db2.gz LEZLJTOQRPVLKX-UXVJVKIESA-N 0 0 348.418 3.743 10 0 EHAERN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c2nccn21 ZINC000333226222 1018895562 /nfs/dbraw/zinc/89/55/62/1018895562.db2.gz XDBJUBBFTXLGJR-NDBYEHHHSA-N 0 0 344.381 3.557 10 0 EHAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000333342961 1019304546 /nfs/dbraw/zinc/30/45/46/1019304546.db2.gz UABLHMPGCLLVER-QAPCUYQASA-N 0 0 341.455 3.541 10 0 EHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000283827869 1019314820 /nfs/dbraw/zinc/31/48/20/1019314820.db2.gz ZJIMZGBSUZUZIO-ORAYPTAESA-N 0 0 344.842 3.655 10 0 EHAERN O=C(NCc1cc(C2CC2)ccc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333518075 1019828776 /nfs/dbraw/zinc/82/87/76/1019828776.db2.gz NIQKGSSYTPKQHH-PXNSSMCTSA-N 0 0 346.446 3.540 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)Nc1nc(-c2cccs2)ns1 ZINC000588402828 1020541107 /nfs/dbraw/zinc/54/11/07/1020541107.db2.gz FUUCBSSURBUFBE-ARJAWSKDSA-N 0 0 348.840 3.967 10 0 EHAERN O=C(/C=C\c1cncc(O)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000588408425 1020786901 /nfs/dbraw/zinc/78/69/01/1020786901.db2.gz HYUSYIIDHHLMTM-PWYIEZDJSA-N 0 0 328.799 3.721 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000246467444 1021079370 /nfs/dbraw/zinc/07/93/70/1021079370.db2.gz GLJRZCYZFGYPBV-PBFPGSCMSA-N 0 0 348.418 3.555 10 0 EHAERN CCCC(CCC)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000163954152 1022213268 /nfs/dbraw/zinc/21/32/68/1022213268.db2.gz MBNOGADPLXHRNI-UHFFFAOYSA-N 0 0 336.520 3.844 10 0 EHAERN O=C(/C=C\c1ccncn1)Oc1ccc(Cl)cc1Br ZINC000588435331 1022219776 /nfs/dbraw/zinc/21/97/76/1022219776.db2.gz AMYLNEYOQFXOHF-RQOWECAXSA-N 0 0 339.576 3.511 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128030456 1022408514 /nfs/dbraw/zinc/40/85/14/1022408514.db2.gz WZPDPPUAUHPWPH-LRDDRELGSA-N 0 0 345.336 3.612 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)[nH]1 ZINC000328759354 1022482197 /nfs/dbraw/zinc/48/21/97/1022482197.db2.gz WJQDQNJVPHVBCX-PMPSAXMXSA-N 0 0 344.846 3.624 10 0 EHAERN CC(C)Cc1nsc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1 ZINC000328766368 1022484736 /nfs/dbraw/zinc/48/47/36/1022484736.db2.gz FIDNWEDLIDEQDH-AWEZNQCLSA-N 0 0 327.457 3.954 10 0 EHAERN Cc1nnc([C@H](C)SCc2cc(Cl)cc3c2OCOC3)o1 ZINC000124702535 1022569576 /nfs/dbraw/zinc/56/95/76/1022569576.db2.gz TYSGIORWIUUQIP-QMMMGPOBSA-N 0 0 326.805 3.892 10 0 EHAERN Cc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C3(C)C)o1 ZINC000293756300 1022970188 /nfs/dbraw/zinc/97/01/88/1022970188.db2.gz QVBWEUQTLJWEQU-MRXNPFEDSA-N 0 0 338.407 3.795 10 0 EHAERN CCCOC(=O)[C@H](OC(=O)/C=C\c1ncccc1C)c1ccccc1 ZINC000588456712 1023084547 /nfs/dbraw/zinc/08/45/47/1023084547.db2.gz LTHMDRRPCHCHPA-YAINUAMHSA-N 0 0 339.391 3.641 10 0 EHAERN COc1ccccc1/C(C)=C\C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000588479398 1023882938 /nfs/dbraw/zinc/88/29/38/1023882938.db2.gz RRNTVDRUBJEAND-MUSGIIIZSA-N 0 0 339.391 3.553 10 0 EHAERN O=C(NCc1ccc(O)c(F)c1)N1CC=C(c2ccccc2)CC1 ZINC000163724104 1023917642 /nfs/dbraw/zinc/91/76/42/1023917642.db2.gz PVVYQOGMLAUJCU-UHFFFAOYSA-N 0 0 326.371 3.530 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)CCC2CCCCC2)C[C@H]1C ZINC000190724507 1023962652 /nfs/dbraw/zinc/96/26/52/1023962652.db2.gz WFPPMHHFOGADMP-HLLBOEOZSA-N 0 0 338.492 3.576 10 0 EHAERN O=C([O-])CCCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000181575550 1024033015 /nfs/dbraw/zinc/03/30/15/1024033015.db2.gz DDUUAPXGHOKYFW-GJZGRUSLSA-N 0 0 325.474 3.671 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccccc2CN2CCNC2=O)CC(C)(C)C1 ZINC000182994010 1024157348 /nfs/dbraw/zinc/15/73/48/1024157348.db2.gz CAWHQAWBTKIYJA-GDBMZVCRSA-N 0 0 343.471 3.613 10 0 EHAERN C[C@@H]1CCCC[C@@H]1OCc1noc(C(F)(F)C2CCOCC2)n1 ZINC000329760591 1024183586 /nfs/dbraw/zinc/18/35/86/1024183586.db2.gz QIUOPHZNMYSJJW-YPMHNXCESA-N 0 0 330.375 3.683 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000153648732 1024221364 /nfs/dbraw/zinc/22/13/64/1024221364.db2.gz VUJVGBHHWYUVAZ-HUUCEWRRSA-N 0 0 347.507 3.847 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)N[C@H]3CCO[C@@H]3C3CC3)o2)cc1C ZINC000330271751 1024379830 /nfs/dbraw/zinc/37/98/30/1024379830.db2.gz WLUNILSILUANAI-RRQGHBQHSA-N 0 0 327.428 3.572 10 0 EHAERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cccn2C2CCCC2)C1 ZINC000194279810 1024387378 /nfs/dbraw/zinc/38/73/78/1024387378.db2.gz FDCDJLCSWSRDEO-FQEVSTJZSA-N 0 0 346.471 3.655 10 0 EHAERN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(N2CCNC2=O)c1C ZINC000138163870 1024691026 /nfs/dbraw/zinc/69/10/26/1024691026.db2.gz OTQAKPCAVHXITE-YJBOKZPZSA-N 0 0 343.471 3.565 10 0 EHAERN CC(C)[C@@H]1NC(=O)N([C@@H]2CC3(CCCC3)Oc3ccccc32)C1=O ZINC000329377890 1025792005 /nfs/dbraw/zinc/79/20/05/1025792005.db2.gz OTEHVZIDTAIPKM-ZBFHGGJFSA-N 0 0 328.412 3.604 10 0 EHAERN C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccco2)C[C@H](C)O1 ZINC000121902834 1026031117 /nfs/dbraw/zinc/03/11/17/1026031117.db2.gz PRAIRNXVTNHKPO-XUWVNRHRSA-N 0 0 340.423 3.635 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(OC)c3)C2)cc1 ZINC000121978431 1026067241 /nfs/dbraw/zinc/06/72/41/1026067241.db2.gz QNMIQWZOMGMPMH-RHSMWYFYSA-N 0 0 325.408 3.722 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccnc(Cl)c3)C2)cc1 ZINC000122100830 1026237472 /nfs/dbraw/zinc/23/74/72/1026237472.db2.gz DQZHUTQBEQTHGC-WFASDCNBSA-N 0 0 330.815 3.762 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000104461332 1026258127 /nfs/dbraw/zinc/25/81/27/1026258127.db2.gz AIZWAOAWYQMSDI-UHFFFAOYSA-N 0 0 346.496 3.693 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccccc3OC)C2)cc1 ZINC000122377768 1026423080 /nfs/dbraw/zinc/42/30/80/1026423080.db2.gz IRTQMJSTRWSVFL-HOCLYGCPSA-N 0 0 325.408 3.722 10 0 EHAERN Cc1cccc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)oc21 ZINC000282002222 1026650733 /nfs/dbraw/zinc/65/07/33/1026650733.db2.gz KFUSRRJJKZXHRX-BBWFWOEESA-N 0 0 327.424 3.897 10 0 EHAERN C[C@H](NC(=O)/C=C/c1cccc2cccnc12)[C@H]1COc2ccccc21 ZINC000152757692 1026689879 /nfs/dbraw/zinc/68/98/79/1026689879.db2.gz MRGNPGKYRTYYSD-ARLHZHEUSA-N 0 0 344.414 3.929 10 0 EHAERN Cc1nc(C2CCN(c3nc(-c4ccccc4)cs3)CC2)no1 ZINC000301609093 1026873218 /nfs/dbraw/zinc/87/32/18/1026873218.db2.gz PFRRDFYYRRESDF-UHFFFAOYSA-N 0 0 326.425 3.886 10 0 EHAERN CC(C)[C@@H](CSc1ccccc1)OC(=O)/C=C\c1ccncn1 ZINC000588539671 1026939404 /nfs/dbraw/zinc/93/94/04/1026939404.db2.gz BZICFLGCQPUHIV-XZVRFQMRSA-N 0 0 328.437 3.850 10 0 EHAERN CC(=O)c1c(F)cccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302182937 1027083152 /nfs/dbraw/zinc/08/31/52/1027083152.db2.gz RPLRHHUGHIRZLY-UHFFFAOYSA-N 0 0 329.375 3.673 10 0 EHAERN C[C@]1(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1(Cl)Cl ZINC000126206134 1027175972 /nfs/dbraw/zinc/17/59/72/1027175972.db2.gz YTLDYQYZRXBOCF-DZGCQCFKSA-N 0 0 327.255 3.673 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C/C=C/c3ccc(C)cc3)CCO2)o1 ZINC000127240083 1027288033 /nfs/dbraw/zinc/28/80/33/1027288033.db2.gz NQNAGULXHNFICN-RTLBZRNLSA-N 0 0 325.408 3.900 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cncc(-c4ccccc4)c3)CCO2)o1 ZINC000127358906 1027300881 /nfs/dbraw/zinc/30/08/81/1027300881.db2.gz GQDRVKRNDKUFJI-HXUWFJFHSA-N 0 0 348.402 3.864 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Oc2cccc(C=O)c2)o1 ZINC000129145530 1027525874 /nfs/dbraw/zinc/52/58/74/1027525874.db2.gz SBRYRSSCPLKHIA-MAUKXSAKSA-N 0 0 341.407 3.922 10 0 EHAERN C[C@@H]1COCCN1c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000246111513 1027755138 /nfs/dbraw/zinc/75/51/38/1027755138.db2.gz NNMKXYGWRZEBON-XLNTUCKNSA-N 0 0 342.483 3.671 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 ZINC000131802156 1027823298 /nfs/dbraw/zinc/82/32/98/1027823298.db2.gz KLVVRUNTVMZQJX-CZUORRHYSA-N 0 0 335.407 3.590 10 0 EHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)CCO1 ZINC000246189661 1027928845 /nfs/dbraw/zinc/92/88/45/1027928845.db2.gz SGVYMUGFAQZCIA-OYYCAODRSA-N 0 0 331.456 3.651 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000105136370 1027944686 /nfs/dbraw/zinc/94/46/86/1027944686.db2.gz PBJILKVPIAGVMG-PKOBYXMFSA-N 0 0 347.503 3.641 10 0 EHAERN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113886968 1027968351 /nfs/dbraw/zinc/96/83/51/1027968351.db2.gz UUPPDMLBOBNTRP-QGZVFWFLSA-N 0 0 342.830 3.841 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC[C@@H]1CCC[C@@H](C)C1)C2 ZINC000115852706 1027985457 /nfs/dbraw/zinc/98/54/57/1027985457.db2.gz DSLUNLJMOWBGEP-CVEARBPZSA-N 0 0 346.519 3.828 10 0 EHAERN Cc1nc(COc2ccc(N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)no1 ZINC000246216132 1027986838 /nfs/dbraw/zinc/98/68/38/1027986838.db2.gz XYUXTPKMKAIHSI-KBAYOESNSA-N 0 0 343.427 3.573 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccccc1OCC ZINC000105176170 1028035752 /nfs/dbraw/zinc/03/57/52/1028035752.db2.gz AEMUKBRXINFSDK-UHFFFAOYSA-N 0 0 341.455 3.645 10 0 EHAERN O=C(Nc1ccccc1OCC1CC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246253108 1028086504 /nfs/dbraw/zinc/08/65/04/1028086504.db2.gz YNNMUYIMBDRLBF-ZTFGCOKTSA-N 0 0 342.439 3.555 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)o1 ZINC000134150851 1028099417 /nfs/dbraw/zinc/09/94/17/1028099417.db2.gz VVSKQXGSIAUHIA-QGZVFWFLSA-N 0 0 325.364 3.856 10 0 EHAERN Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000136888858 1028276261 /nfs/dbraw/zinc/27/62/61/1028276261.db2.gz ZFRACIBFQAMMMI-CQSZACIVSA-N 0 0 331.803 3.729 10 0 EHAERN O=C(N[C@@H]1CC=CCC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246384571 1028306385 /nfs/dbraw/zinc/30/63/85/1028306385.db2.gz IORNJJQKGZCGND-KZNAEPCWSA-N 0 0 332.419 3.532 10 0 EHAERN CN1CC[C@@H](CNC(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000056045518 1028308070 /nfs/dbraw/zinc/30/80/70/1028308070.db2.gz HTFGQAKGAHWVPW-KRWDZBQOSA-N 0 0 347.462 3.840 10 0 EHAERN CN(C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)c1nccs1 ZINC000105367602 1028348027 /nfs/dbraw/zinc/34/80/27/1028348027.db2.gz ZXDNCISUNREUGA-GOSISDBHSA-N 0 0 349.459 3.910 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2cc3ccccc3s2)c2ccccc2)[nH]1 ZINC000057797532 1028373202 /nfs/dbraw/zinc/37/32/02/1028373202.db2.gz UYHRNBUKHSOTSI-KRWDZBQOSA-N 0 0 348.431 3.847 10 0 EHAERN CCc1ccc(CCC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000057799146 1028373321 /nfs/dbraw/zinc/37/33/21/1028373321.db2.gz SLIBNRNCZYOASU-HXUWFJFHSA-N 0 0 348.450 3.514 10 0 EHAERN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000061460015 1028429660 /nfs/dbraw/zinc/42/96/60/1028429660.db2.gz AEENJFAELWLTCQ-UHFFFAOYSA-N 0 0 349.434 3.592 10 0 EHAERN O[C@H](C[C@H]1CCCN1Cc1cc(-c2ccco2)on1)c1ccco1 ZINC000246438290 1028500809 /nfs/dbraw/zinc/50/08/09/1028500809.db2.gz DOXJNHZVFDCJJG-HUUCEWRRSA-N 0 0 328.368 3.616 10 0 EHAERN O=c1cc(N2CCC[C@@H]2c2nc3ccccc3s2)nc2ccccn12 ZINC000194424743 1028516289 /nfs/dbraw/zinc/51/62/89/1028516289.db2.gz TYBQTEIAWICNMQ-CQSZACIVSA-N 0 0 348.431 3.646 10 0 EHAERN CN1CCCN(C(=O)[C@H]2CCCc3cccnc32)c2cc(F)ccc21 ZINC000194439808 1028519602 /nfs/dbraw/zinc/51/96/02/1028519602.db2.gz UJHJQHYBJDXJFH-INIZCTEOSA-N 0 0 339.414 3.514 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246467341 1028584382 /nfs/dbraw/zinc/58/43/82/1028584382.db2.gz CPLFMUJEAAAYIO-IATRGZMQSA-N 0 0 337.822 3.610 10 0 EHAERN O=C(N[C@@H]1COc2ccccc21)N1CCCCC[C@H]1c1ccncc1 ZINC000195196615 1028589104 /nfs/dbraw/zinc/58/91/04/1028589104.db2.gz UPTOMXPFDNNNMF-MSOLQXFVSA-N 0 0 337.423 3.842 10 0 EHAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccncc2)C12CCCCC2 ZINC000246581156 1028662630 /nfs/dbraw/zinc/66/26/30/1028662630.db2.gz ISHUYWWNWXTSCU-DJIMGWMZSA-N 0 0 331.460 3.570 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246764786 1028690318 /nfs/dbraw/zinc/69/03/18/1028690318.db2.gz UHKABNOAZLUASI-BLTAXRJOSA-N 0 0 327.346 3.788 10 0 EHAERN Cc1ccc(CN(C)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)s1 ZINC000246891263 1028709433 /nfs/dbraw/zinc/70/94/33/1028709433.db2.gz RGXMGJAPPLSWFN-BZUAXINKSA-N 0 0 334.485 3.546 10 0 EHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247286651 1028771451 /nfs/dbraw/zinc/77/14/51/1028771451.db2.gz HGHVVWIWRMCJLW-SQWLQELKSA-N 0 0 341.411 3.784 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245536101 1028777525 /nfs/dbraw/zinc/77/75/25/1028777525.db2.gz IFRQUVLHWCIJBF-ZLKJLUDKSA-N 0 0 340.345 3.785 10 0 EHAERN CCNC(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000248438725 1028791665 /nfs/dbraw/zinc/79/16/65/1028791665.db2.gz TVUKWWFOUAMFPJ-YXJHDRRASA-N 0 0 343.471 3.787 10 0 EHAERN CN(Cc1cncs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245546762 1028808381 /nfs/dbraw/zinc/80/83/81/1028808381.db2.gz VSBMAMSRFOGIQX-ZIAGYGMSSA-N 0 0 329.252 3.540 10 0 EHAERN C[C@H]1CCN(Cc2ccc(Br)s2)C[C@H]1n1ccnc1 ZINC000247685700 1028810048 /nfs/dbraw/zinc/81/00/48/1028810048.db2.gz SCQQNYLZJXAYBT-WCQYABFASA-N 0 0 340.290 3.790 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(C2SCCS2)cc1 ZINC000247683149 1028810896 /nfs/dbraw/zinc/81/08/96/1028810896.db2.gz ZUYCEALWCCOZAJ-ARFHVFGLSA-N 0 0 349.521 3.853 10 0 EHAERN CCCNC(=O)c1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245566372 1028853325 /nfs/dbraw/zinc/85/33/25/1028853325.db2.gz QUYXIYUNCDKXDC-RCCFBDPRSA-N 0 0 328.456 3.586 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(Cl)n1 ZINC000248402848 1028895731 /nfs/dbraw/zinc/89/57/31/1028895731.db2.gz NWSHORLUGDRLMA-USXIJHARSA-N 0 0 326.827 3.810 10 0 EHAERN Cc1csc([C@H](C)CNC(=O)N2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000248586929 1028922982 /nfs/dbraw/zinc/92/29/82/1028922982.db2.gz QHOFFCFNEIMSKR-WWGRRREGSA-N 0 0 329.469 3.958 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248654131 1028935517 /nfs/dbraw/zinc/93/55/17/1028935517.db2.gz PDANDBNAQUWDRR-KCPJHIHWSA-N 0 0 335.835 3.513 10 0 EHAERN Cc1nccc(N2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)n1 ZINC000245625438 1028935984 /nfs/dbraw/zinc/93/59/84/1028935984.db2.gz CPTXSGGCBACMSP-BDJLRTHQSA-N 0 0 348.244 3.514 10 0 EHAERN CCc1cnc(CNC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000076197955 1028940072 /nfs/dbraw/zinc/94/00/72/1028940072.db2.gz GDVRFAGAJIDYMZ-UHFFFAOYSA-N 0 0 333.482 3.766 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4oc(C)nc4c3)CCO2)o1 ZINC000154604104 1029239516 /nfs/dbraw/zinc/23/95/16/1029239516.db2.gz RZZUKBTWWUKJSM-QGZVFWFLSA-N 0 0 341.367 3.643 10 0 EHAERN COCc1ccccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078187728 1029240668 /nfs/dbraw/zinc/24/06/68/1029240668.db2.gz UNTMEJZKVDRVOE-CRAIPNDOSA-N 0 0 339.435 3.860 10 0 EHAERN CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000253604763 1029338735 /nfs/dbraw/zinc/33/87/35/1029338735.db2.gz CKVKGABWAPICOE-HNNXBMFYSA-N 0 0 342.464 3.801 10 0 EHAERN CC(C)CC1(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCC1 ZINC000154921487 1029363590 /nfs/dbraw/zinc/36/35/90/1029363590.db2.gz SFJFHGPWGUWIID-UHFFFAOYSA-N 0 0 348.531 3.844 10 0 EHAERN CCCn1c(C)nnc1CN1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000245913464 1029466726 /nfs/dbraw/zinc/46/67/26/1029466726.db2.gz VUYRAFNWTNQMDF-CXAGYDPISA-N 0 0 348.878 3.612 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000245951178 1029509284 /nfs/dbraw/zinc/50/92/84/1029509284.db2.gz PGFXZLSPDPVSRQ-MXASKKJJSA-N 0 0 329.465 3.788 10 0 EHAERN Cc1cc(-n2cccn2)ccc1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588574034 1029525221 /nfs/dbraw/zinc/52/52/21/1029525221.db2.gz NTAMLVQIDVLTQW-UTCJRWHESA-N 0 0 338.798 3.881 10 0 EHAERN Cc1nc([C@@H](NC(=O)C=C2CCC(C)CC2)c2ccccc2F)no1 ZINC000114651603 1029581536 /nfs/dbraw/zinc/58/15/36/1029581536.db2.gz SBONHCSPNLDLRT-ZJFPTPTDSA-N 0 0 343.402 3.859 10 0 EHAERN O=C(NC1(c2ccc(Br)cc2)CC1)[C@@H]1C[C@@H]1c1ccco1 ZINC000065851869 1029581803 /nfs/dbraw/zinc/58/18/03/1029581803.db2.gz MIMUHIAFQNTYMR-UONOGXRCSA-N 0 0 346.224 3.951 10 0 EHAERN CN(Cc1ccccc1F)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155643586 1029609366 /nfs/dbraw/zinc/60/93/66/1029609366.db2.gz SSOCKRSOWPLVLN-UHFFFAOYSA-N 0 0 347.459 3.698 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c2ccccc2O1 ZINC000126547778 1029745125 /nfs/dbraw/zinc/74/51/25/1029745125.db2.gz RTHHILDDOIMWCG-ZVZYQTTQSA-N 0 0 344.455 3.546 10 0 EHAERN Cc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C(C)C)c(C)o1 ZINC000295932788 1029834364 /nfs/dbraw/zinc/83/43/64/1029834364.db2.gz IUMJXMUPUYLGCG-CYBMUJFWSA-N 0 0 332.448 3.740 10 0 EHAERN CCOc1ccc([C@@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)cc1 ZINC000091031048 1030210483 /nfs/dbraw/zinc/21/04/83/1030210483.db2.gz HEAMHDLXZTVDIH-VQTJNVASSA-N 0 0 339.435 3.873 10 0 EHAERN O=C(Nc1ccc2c(c1)COC2)NC1CCN(c2cccs2)CC1 ZINC000092167511 1030394380 /nfs/dbraw/zinc/39/43/80/1030394380.db2.gz QLXSCFJNNKGXPS-UHFFFAOYSA-N 0 0 343.452 3.569 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnn(C(C)C)c3C)C2)cc1 ZINC000092465325 1030458353 /nfs/dbraw/zinc/45/83/53/1030458353.db2.gz SIKXDZANAQXSIB-RHSMWYFYSA-N 0 0 341.455 3.799 10 0 EHAERN Cc1c(NC(=O)N[C@H](C)c2ccncc2)cnn1-c1ccccc1F ZINC000157337760 1030466609 /nfs/dbraw/zinc/46/66/09/1030466609.db2.gz STCWSOKGAJUBNF-GFCCVEGCSA-N 0 0 339.374 3.598 10 0 EHAERN COC[C@H]1CCCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000458652979 1030547936 /nfs/dbraw/zinc/54/79/36/1030547936.db2.gz PMTYHVCUWMOTEY-AWEZNQCLSA-N 0 0 326.387 3.582 10 0 EHAERN O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000170993185 1030741001 /nfs/dbraw/zinc/74/10/01/1030741001.db2.gz ZYHLAIQWSDTFEZ-GJZGRUSLSA-N 0 0 337.206 3.773 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 ZINC000171275175 1030750648 /nfs/dbraw/zinc/75/06/48/1030750648.db2.gz PRMYPZAZXKUXDQ-UHFFFAOYSA-N 0 0 329.469 3.537 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC(Cc4ccccn4)CC3)c21 ZINC000171616076 1030766136 /nfs/dbraw/zinc/76/61/36/1030766136.db2.gz NLRXZIYODPJRLP-UHFFFAOYSA-N 0 0 347.462 3.895 10 0 EHAERN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccs2)C1 ZINC000171646991 1030771720 /nfs/dbraw/zinc/77/17/20/1030771720.db2.gz NUQBIFPXIQZWRT-CYBMUJFWSA-N 0 0 325.437 3.573 10 0 EHAERN C[C@H](C(=O)N1CC=C(c2cccs2)CC1)n1cnc2ccccc21 ZINC000172093692 1030830078 /nfs/dbraw/zinc/83/00/78/1030830078.db2.gz YHWFWYOVBAJWDB-CQSZACIVSA-N 0 0 337.448 3.975 10 0 EHAERN O=C(c1ccc2c(c1)OCCCO2)N1CC=C(c2cccs2)CC1 ZINC000172093532 1030831517 /nfs/dbraw/zinc/83/15/17/1030831517.db2.gz FBDQKQNCBGPKFZ-UHFFFAOYSA-N 0 0 341.432 3.839 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C4CC4)on3)C2)cc1 ZINC000172369166 1030949953 /nfs/dbraw/zinc/94/99/53/1030949953.db2.gz KPQUMBKSSSCEPN-SWLSCSKDSA-N 0 0 326.396 3.579 10 0 EHAERN CCOc1c(F)cccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000173043191 1031050550 /nfs/dbraw/zinc/05/05/50/1031050550.db2.gz CYAHVOLMIYOMKT-LBPRGKRZSA-N 0 0 334.416 3.701 10 0 EHAERN Cc1cccc(C)c1NCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000173493355 1031094776 /nfs/dbraw/zinc/09/47/76/1031094776.db2.gz VQUGDUDULFKXLX-HNNXBMFYSA-N 0 0 329.469 3.578 10 0 EHAERN C[C@H](C1CC1)N(C(=O)NC[C@@H]1CCN(C)c2ccccc21)C1CC1 ZINC000174218145 1031178866 /nfs/dbraw/zinc/17/88/66/1031178866.db2.gz PHOQKMKPMUJCDQ-ZBFHGGJFSA-N 0 0 327.472 3.583 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(F)cc3C)CC2)nc1 ZINC000174556784 1031234425 /nfs/dbraw/zinc/23/44/25/1031234425.db2.gz YNIMFGOKNQLYIW-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCCn2ccnc21 ZINC000174954061 1031260605 /nfs/dbraw/zinc/26/06/05/1031260605.db2.gz SZRLEHUXPTYUOA-WOJBJXKFSA-N 0 0 345.446 3.861 10 0 EHAERN CN1CCOc2ccc(NC(=O)N3CC=C(c4ccccc4)CC3)cc21 ZINC000175096658 1031273315 /nfs/dbraw/zinc/27/33/15/1031273315.db2.gz SRAIKPXOMUGRMM-UHFFFAOYSA-N 0 0 349.434 3.836 10 0 EHAERN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncncc1Cl ZINC000175938899 1031370012 /nfs/dbraw/zinc/37/00/12/1031370012.db2.gz HIRDCHLJIHDFBG-HOCLYGCPSA-N 0 0 329.831 3.928 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCCOc4ccccc43)nc21 ZINC000175999723 1031403998 /nfs/dbraw/zinc/40/39/98/1031403998.db2.gz KONPZDFOCMDDIN-INIZCTEOSA-N 0 0 349.434 3.834 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1cccs1 ZINC000177423504 1031538637 /nfs/dbraw/zinc/53/86/37/1031538637.db2.gz XIOVSEOJFHGAQS-GOEBONIOSA-N 0 0 346.500 3.906 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000117057322 1031545626 /nfs/dbraw/zinc/54/56/26/1031545626.db2.gz UXNNIXRJXJWBJS-MAUKXSAKSA-N 0 0 344.503 3.579 10 0 EHAERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ncncc2Cl)o1 ZINC000177663546 1031587201 /nfs/dbraw/zinc/58/72/01/1031587201.db2.gz KXUPUUADEGUKPP-BXUZGUMPSA-N 0 0 333.819 3.899 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C3CCC(C)(C)CC3)CC2)nc1 ZINC000158731144 1031593718 /nfs/dbraw/zinc/59/37/18/1031593718.db2.gz HOCCJBBIJBBPSI-UHFFFAOYSA-N 0 0 329.488 3.691 10 0 EHAERN Nc1cccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 ZINC000178725685 1031697858 /nfs/dbraw/zinc/69/78/58/1031697858.db2.gz VTBPOJUGAVEBAB-UHFFFAOYSA-N 0 0 332.407 3.721 10 0 EHAERN O=C1OC(c2ccccn2)=N/C1=C\c1ccc(-c2ccncc2)cc1F ZINC000178886689 1031737213 /nfs/dbraw/zinc/73/72/13/1031737213.db2.gz XTFSIRXFJVANML-PDGQHHTCSA-N 0 0 345.333 3.627 10 0 EHAERN COc1cc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(OC)cc1Cl ZINC000117573400 1031757428 /nfs/dbraw/zinc/75/74/28/1031757428.db2.gz PQDIBILDZLWEQF-QGHHPUGFSA-N 0 0 347.798 3.860 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1coc(-c2cccs2)n1 ZINC000117588479 1031759474 /nfs/dbraw/zinc/75/94/74/1031759474.db2.gz CTTQFFJROSCCCL-MEDUHNTESA-N 0 0 340.404 3.584 10 0 EHAERN CCc1cnc(CN(C)C(=O)Nc2c[nH]nc2-c2ccccc2)s1 ZINC000179486534 1031778381 /nfs/dbraw/zinc/77/83/81/1031778381.db2.gz XSMBYNJQUFPRCG-UHFFFAOYSA-N 0 0 341.440 3.760 10 0 EHAERN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2Oc3ccccc3[C@H]2C)s1 ZINC000117654484 1031788871 /nfs/dbraw/zinc/78/88/71/1031788871.db2.gz OGFFDANWMXTYNX-XAGWURHQSA-N 0 0 330.453 3.844 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)c3cnn4ccc(C)nc34)CC2)cc1 ZINC000180071718 1031836693 /nfs/dbraw/zinc/83/66/93/1031836693.db2.gz HIPBKTJQFKPFPF-UHFFFAOYSA-N 0 0 346.434 3.530 10 0 EHAERN c1ccc([C@H](c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)C2CC2)cc1 ZINC000329704690 1031894358 /nfs/dbraw/zinc/89/43/58/1031894358.db2.gz IWSLVRIUHBQUSI-SQNIBIBYSA-N 0 0 339.439 3.537 10 0 EHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CC=C(c2cccs2)CC1 ZINC000117895298 1031920002 /nfs/dbraw/zinc/92/00/02/1031920002.db2.gz YFFASMFNCRIDDB-GFCCVEGCSA-N 0 0 347.871 3.913 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000180981839 1031932324 /nfs/dbraw/zinc/93/23/24/1031932324.db2.gz AJIBAGTWKLEZNE-NUJGCVRESA-N 0 0 337.504 3.635 10 0 EHAERN O=C(c1cnn(CCC(F)(F)F)c1)N1CC=C(c2ccccc2)CC1 ZINC000181489986 1031997598 /nfs/dbraw/zinc/99/75/98/1031997598.db2.gz JHPVGPDAUWAGDZ-UHFFFAOYSA-N 0 0 349.356 3.765 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)nc1 ZINC000181562621 1032003828 /nfs/dbraw/zinc/00/38/28/1032003828.db2.gz FKPLLTPSQWYTEO-KRWDZBQOSA-N 0 0 338.451 3.639 10 0 EHAERN COc1ccc([C@@H]2CCN(C(=O)c3c(C)cc(C)nc3Cl)C2)cc1 ZINC000181893170 1032043813 /nfs/dbraw/zinc/04/38/13/1032043813.db2.gz LOQHMYBMTBBSIB-OAHLLOKOSA-N 0 0 344.842 3.990 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCC[C@H]1c1ncc[nH]1 ZINC000120141293 1033391751 /nfs/dbraw/zinc/39/17/51/1033391751.db2.gz FKKGNZCSFLOLNG-FVNWOWOISA-N 0 0 332.407 3.725 10 0 EHAERN O=C(N[C@@H]1CCSc2ccccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246918254 1033520230 /nfs/dbraw/zinc/52/02/30/1033520230.db2.gz GGTCQJDRIPEUHO-ZSZQSSIHSA-N 0 0 346.496 3.560 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccnn2C(C)C)cc1C ZINC000101603892 1033862537 /nfs/dbraw/zinc/86/25/37/1033862537.db2.gz JLTBTNYONCAIPI-UHFFFAOYSA-N 0 0 330.432 3.753 10 0 EHAERN CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000159048920 1034120243 /nfs/dbraw/zinc/12/02/43/1034120243.db2.gz SCDIUYUCQBODKY-IAGOWNOFSA-N 0 0 332.492 3.524 10 0 EHAERN C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc2ccccc2c1 ZINC000101772312 1034201801 /nfs/dbraw/zinc/20/18/01/1034201801.db2.gz UAGVRIODEAYOIC-OAHLLOKOSA-N 0 0 349.438 3.539 10 0 EHAERN CCOc1ccccc1CCC(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000102153231 1034418183 /nfs/dbraw/zinc/41/81/83/1034418183.db2.gz QQDMZAWRHXTICR-UHFFFAOYSA-N 0 0 344.436 3.632 10 0 EHAERN c1ccc(-c2cnc(CNCC3=Cc4ccccc4OC3)nc2)cc1 ZINC000185876931 1035554200 /nfs/dbraw/zinc/55/42/00/1035554200.db2.gz UECSPSZERAKQGK-UHFFFAOYSA-N 0 0 329.403 3.709 10 0 EHAERN CC[C@H](CC1CCCC1)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186427222 1035633779 /nfs/dbraw/zinc/63/37/79/1035633779.db2.gz OWONCPDJUQSTTO-GOSISDBHSA-N 0 0 329.488 3.727 10 0 EHAERN C[C@@H](C(=O)N1CCCN(c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000186428078 1035633984 /nfs/dbraw/zinc/63/39/84/1035633984.db2.gz NVTNWPMUAQKELO-MRXNPFEDSA-N 0 0 349.434 3.670 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)N2CCC[C@H]2c2csc(C)n2)n1 ZINC000186543810 1035657857 /nfs/dbraw/zinc/65/78/57/1035657857.db2.gz YMQBPQNZYDDCHJ-MFKMUULPSA-N 0 0 336.486 3.824 10 0 EHAERN CCC1CCC(NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186643926 1035675452 /nfs/dbraw/zinc/67/54/52/1035675452.db2.gz CQEWFOUPNPDICC-UHFFFAOYSA-N 0 0 330.432 3.754 10 0 EHAERN CN1Cc2cc(NC(=O)N3CCC[C@H]3c3ccco3)ccc2NC1=O ZINC000186646424 1035678337 /nfs/dbraw/zinc/67/83/37/1035678337.db2.gz OFQMYWSRAOYYLM-HNNXBMFYSA-N 0 0 340.383 3.626 10 0 EHAERN CN1Cc2cc(NC(=O)NCc3ccccc3Cl)ccc2NC1=O ZINC000186652542 1035678744 /nfs/dbraw/zinc/67/87/44/1035678744.db2.gz QLCFHGTZAATKIG-UHFFFAOYSA-N 0 0 344.802 3.639 10 0 EHAERN Clc1ccccc1-c1cnc(CSc2nc3cncnc3[nH]2)o1 ZINC000186749768 1035699036 /nfs/dbraw/zinc/69/90/36/1035699036.db2.gz ORMYQVYQFZCPKC-UHFFFAOYSA-N 0 0 343.799 3.954 10 0 EHAERN COc1cnccc1[C@H](C)NCc1ncc(-c2cccc(F)c2)o1 ZINC000187014876 1035741983 /nfs/dbraw/zinc/74/19/83/1035741983.db2.gz DGTWDLBKRGWDHL-LBPRGKRZSA-N 0 0 327.359 3.735 10 0 EHAERN COc1cnccc1[C@H](C)NCc1ncc(-c2ccccc2F)o1 ZINC000187049906 1035745323 /nfs/dbraw/zinc/74/53/23/1035745323.db2.gz OSWZMFOHSFBVKQ-LBPRGKRZSA-N 0 0 327.359 3.735 10 0 EHAERN CC(=O)Nc1ccc(C)c(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000187131779 1035768283 /nfs/dbraw/zinc/76/82/83/1035768283.db2.gz YKZQDCIWUOMXAD-UHFFFAOYSA-N 0 0 334.419 3.883 10 0 EHAERN O=C(NC1CCC(O)CC1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000187221152 1035772844 /nfs/dbraw/zinc/77/28/44/1035772844.db2.gz WSRYBKGMWAFDNY-UHFFFAOYSA-N 0 0 336.863 3.533 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)C/C=C/c1ccccc1F)[C@H]2C ZINC000188783455 1035972714 /nfs/dbraw/zinc/97/27/14/1035972714.db2.gz SJZQQYBMHBOXGX-OWNNVSBGSA-N 0 0 342.418 3.547 10 0 EHAERN Cc1cc(NC(=O)[C@@H](C)SC[C@H]2CCC3(CCCCC3)O2)on1 ZINC000188768284 1035981009 /nfs/dbraw/zinc/98/10/09/1035981009.db2.gz MDWIBIJGCRJAJG-ZIAGYGMSSA-N 0 0 338.473 3.925 10 0 EHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)Nc2ccsc2Cl)C1 ZINC000189356612 1036059369 /nfs/dbraw/zinc/05/93/69/1036059369.db2.gz WIZOWOUMZNCUHI-NSHDSACASA-N 0 0 338.864 3.622 10 0 EHAERN Cc1nnc([C@@H](NC(=O)Nc2ccsc2Cl)c2ccccc2)[nH]1 ZINC000189374872 1036061854 /nfs/dbraw/zinc/06/18/54/1036061854.db2.gz ZCQUZIBNGDZBTH-LBPRGKRZSA-N 0 0 347.831 3.739 10 0 EHAERN Cc1nn(C)cc1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000189656786 1036110498 /nfs/dbraw/zinc/11/04/98/1036110498.db2.gz FLZOTPMQEYGACY-CYBMUJFWSA-N 0 0 335.411 3.673 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000189961878 1036167207 /nfs/dbraw/zinc/16/72/07/1036167207.db2.gz YWSZNXHWNALTGU-BBRMVZONSA-N 0 0 340.427 3.808 10 0 EHAERN CC(C)[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000157683925 1036226001 /nfs/dbraw/zinc/22/60/01/1036226001.db2.gz BBSAFHJXEMWPRU-WSTZPKSXSA-N 0 0 330.472 3.720 10 0 EHAERN Cc1ccccc1C(C)(C)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190372009 1036228655 /nfs/dbraw/zinc/22/86/55/1036228655.db2.gz YLDBGLJFLIIJRE-UHFFFAOYSA-N 0 0 343.496 3.832 10 0 EHAERN C[C@H](NC(=O)CC(C)(C)C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190367977 1036230145 /nfs/dbraw/zinc/23/01/45/1036230145.db2.gz RFWIRDYRADSSFS-OBJOEFQTSA-N 0 0 337.464 3.602 10 0 EHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)c(C)n1C1CC1 ZINC000190385297 1036231477 /nfs/dbraw/zinc/23/14/77/1036231477.db2.gz OSLMTKBJBXBPSD-UHFFFAOYSA-N 0 0 344.484 3.613 10 0 EHAERN Cc1ccc(C[C@H](C)C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190419424 1036237512 /nfs/dbraw/zinc/23/75/12/1036237512.db2.gz LJVPKRODQSWLCA-HNNXBMFYSA-N 0 0 343.496 3.733 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC3(CCOCC3)c3ccccc32)o1 ZINC000190516517 1036256935 /nfs/dbraw/zinc/25/69/35/1036256935.db2.gz UJHCCPPXBMHFTJ-HNNXBMFYSA-N 0 0 340.423 3.927 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCSc1ccccn1 ZINC000190615326 1036268208 /nfs/dbraw/zinc/26/82/08/1036268208.db2.gz PCASUDJEFUZRSO-HNNXBMFYSA-N 0 0 328.437 3.512 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)NCC1(C2CC2)CCC1 ZINC000332842354 1036279055 /nfs/dbraw/zinc/27/90/55/1036279055.db2.gz OHCSRBLJKDIMNS-SCTDSRPQSA-N 0 0 334.504 3.682 10 0 EHAERN O=C(Nc1ccccc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000191141868 1036340935 /nfs/dbraw/zinc/34/09/35/1036340935.db2.gz DHBWOBRCDCWRPA-UHFFFAOYSA-N 0 0 326.371 3.926 10 0 EHAERN Cc1ccc(CC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cn1 ZINC000191196436 1036344714 /nfs/dbraw/zinc/34/47/14/1036344714.db2.gz RSDTUVHMBWADBC-HNNXBMFYSA-N 0 0 330.378 3.617 10 0 EHAERN CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)nn1C ZINC000191206382 1036347650 /nfs/dbraw/zinc/34/76/50/1036347650.db2.gz PSFCXSVFSGVEEM-CYBMUJFWSA-N 0 0 347.409 3.842 10 0 EHAERN CC(=O)c1c[nH]c(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000191489639 1036391506 /nfs/dbraw/zinc/39/15/06/1036391506.db2.gz VYOIDJLRYBQGCV-LBPRGKRZSA-N 0 0 332.350 3.515 10 0 EHAERN CCOC1CC(CCNC(=O)N2CC=C(c3ccccc3F)CC2)C1 ZINC000191672256 1036405806 /nfs/dbraw/zinc/40/58/06/1036405806.db2.gz IBWDGUGZBPPKTD-UHFFFAOYSA-N 0 0 346.446 3.830 10 0 EHAERN O=C(c1cc2sccc2[nH]1)N1CC2(CCOCC2)c2ccccc21 ZINC000192222824 1036507402 /nfs/dbraw/zinc/50/74/02/1036507402.db2.gz AOVJMCPOIFSXEV-UHFFFAOYSA-N 0 0 338.432 3.938 10 0 EHAERN O=C(c1cc2sccc2[nH]1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000192208860 1036508043 /nfs/dbraw/zinc/50/80/43/1036508043.db2.gz CTSYVOJTYRQDBF-ZDUSSCGKSA-N 0 0 330.384 3.662 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCCc4cccnc43)CC2)n1 ZINC000192492517 1036511763 /nfs/dbraw/zinc/51/17/63/1036511763.db2.gz PXDBOUKDBHNWKR-INIZCTEOSA-N 0 0 341.480 3.673 10 0 EHAERN Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cnn1C1CCCC1 ZINC000192699695 1036539207 /nfs/dbraw/zinc/53/92/07/1036539207.db2.gz CCAQNLLBUNJBOO-SGTLLEGYSA-N 0 0 325.412 3.810 10 0 EHAERN CCC(CC)CN(CC)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193252396 1036586765 /nfs/dbraw/zinc/58/67/65/1036586765.db2.gz LBCKVQOYGOXKRD-INIZCTEOSA-N 0 0 331.460 3.580 10 0 EHAERN Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)s1 ZINC000102735748 1036757523 /nfs/dbraw/zinc/75/75/23/1036757523.db2.gz UBPORNLMLSNFNW-PXAZEXFGSA-N 0 0 342.464 3.923 10 0 EHAERN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)c(F)c(F)c1 ZINC000102976449 1036814298 /nfs/dbraw/zinc/81/42/98/1036814298.db2.gz KPBFLQDVQFAYNA-UHFFFAOYSA-N 0 0 335.310 3.875 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)Nc2cnc(C3CC3)nc2)cc1C ZINC000103239128 1036918463 /nfs/dbraw/zinc/91/84/63/1036918463.db2.gz DMLGZIVDGGZSRU-UHFFFAOYSA-N 0 0 340.427 3.643 10 0 EHAERN COCc1ccc(C(=O)Nc2nnc(CC3CCCCC3)s2)o1 ZINC000103455301 1036924539 /nfs/dbraw/zinc/92/45/39/1036924539.db2.gz LLTUPKATQNXPHU-UHFFFAOYSA-N 0 0 335.429 3.653 10 0 EHAERN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)c(C)c1 ZINC000175386138 1037062435 /nfs/dbraw/zinc/06/24/35/1037062435.db2.gz KWAGJZILPTUIQP-CQSZACIVSA-N 0 0 336.482 3.676 10 0 EHAERN COc1cccc(C[S@](=O)Cc2csc(Br)c2)c1 ZINC000105676621 1037237183 /nfs/dbraw/zinc/23/71/83/1037237183.db2.gz YGTRTWAWLDBMBN-GOSISDBHSA-N 0 0 345.283 3.968 10 0 EHAERN C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1nccs1 ZINC000105996634 1037293315 /nfs/dbraw/zinc/29/33/15/1037293315.db2.gz LWXNVAZIESFZCS-NSHDSACASA-N 0 0 345.399 3.747 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1ccccc1OCC1CC1 ZINC000104461148 1037296609 /nfs/dbraw/zinc/29/66/09/1037296609.db2.gz JGWQRPGXNNAPRK-UHFFFAOYSA-N 0 0 339.435 3.799 10 0 EHAERN CCCNC(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000104836349 1037417231 /nfs/dbraw/zinc/41/72/31/1037417231.db2.gz JLTSZLRIWQQBPI-GOSISDBHSA-N 0 0 336.863 3.604 10 0 EHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(Cl)n1 ZINC000101531691 1037568415 /nfs/dbraw/zinc/56/84/15/1037568415.db2.gz LWRNQNIDLXWTDS-UHFFFAOYSA-N 0 0 345.761 3.502 10 0 EHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]3C3CCC3)cc2)n1 ZINC000102875602 1037585306 /nfs/dbraw/zinc/58/53/06/1037585306.db2.gz UYMLFWHSPPEZGX-HXUWFJFHSA-N 0 0 337.467 3.953 10 0 EHAERN Cc1cccc(-c2noc(C[S@](=O)CCCc3ccccc3)n2)c1 ZINC000105689896 1037605994 /nfs/dbraw/zinc/60/59/94/1037605994.db2.gz KMJMMRRFNDWUIH-DEOSSOPVSA-N 0 0 340.448 3.927 10 0 EHAERN CCc1cc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n[nH]1 ZINC000104867880 1037650886 /nfs/dbraw/zinc/65/08/86/1037650886.db2.gz RVJJPLFGUFVYNE-UHFFFAOYSA-N 0 0 348.406 3.501 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000117588632 1037855324 /nfs/dbraw/zinc/85/53/24/1037855324.db2.gz MNZAECJQWZOYEP-KPZWWZAWSA-N 0 0 336.391 3.538 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000117752563 1037861224 /nfs/dbraw/zinc/86/12/24/1037861224.db2.gz WFKORXWPHMTVOS-AUUYWEPGSA-N 0 0 337.375 3.966 10 0 EHAERN CSc1ccsc1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000107121722 1038284207 /nfs/dbraw/zinc/28/42/07/1038284207.db2.gz SBZINLXRYXHQFQ-GFCCVEGCSA-N 0 0 332.494 3.824 10 0 EHAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)CCO1 ZINC000245760719 1038799464 /nfs/dbraw/zinc/79/94/64/1038799464.db2.gz VNDZQSXLUREVPI-DAYGRLMNSA-N 0 0 341.455 3.740 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N3CCCO[C@H](C)C3)cc2s1 ZINC000408404966 1039274197 /nfs/dbraw/zinc/27/41/97/1039274197.db2.gz PSLNZLXJVBRJEA-SECBINFHSA-N 0 0 339.848 3.901 10 0 EHAERN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151214787 1039892534 /nfs/dbraw/zinc/89/25/34/1039892534.db2.gz ZMRSMZAVDRMPTA-QRWLVFNGSA-N 0 0 343.398 3.853 10 0 EHAERN CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000245630974 1040198424 /nfs/dbraw/zinc/19/84/24/1040198424.db2.gz DJUCCLPNNJJPGI-OWCLPIDISA-N 0 0 328.456 3.900 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@H](c2ccco2)C1 ZINC000245651703 1040256412 /nfs/dbraw/zinc/25/64/12/1040256412.db2.gz BYNFGFRIKCXXDV-NJNCZSALSA-N 0 0 332.444 3.576 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000408111301 1041684631 /nfs/dbraw/zinc/68/46/31/1041684631.db2.gz CVTDRAODJVTSDC-MCPWVCTESA-N 0 0 338.398 3.673 10 0 EHAERN CC(C)c1nc([C@H]2COCCN2C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000408156782 1041894604 /nfs/dbraw/zinc/89/46/04/1041894604.db2.gz BYRKDBWEHOSIEW-QLFBSQMISA-N 0 0 349.475 3.555 10 0 EHAERN Cc1sc2nc(C)nc(N3CCO[C@H](c4nccs4)C3)c2c1C ZINC000408161184 1041939855 /nfs/dbraw/zinc/93/98/55/1041939855.db2.gz ZHUVAOWICRGSOU-LBPRGKRZSA-N 0 0 346.481 3.651 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)ccc1OC1CCOCC1 ZINC000330262501 1042673117 /nfs/dbraw/zinc/67/31/17/1042673117.db2.gz VCQMOLTVKYFBOQ-CRAIPNDOSA-N 0 0 344.455 3.959 10 0 EHAERN CC(C)[C@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000162389572 1042725900 /nfs/dbraw/zinc/72/59/00/1042725900.db2.gz ZUHUZHZEAVZYHT-FQEVSTJZSA-N 0 0 339.483 3.641 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000408383212 1044477637 /nfs/dbraw/zinc/47/76/37/1044477637.db2.gz AGZPVDOJZGLLLH-GJYPPUQNSA-N 0 0 347.503 3.590 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000268931416 1128728858 /nfs/dbraw/zinc/72/88/58/1128728858.db2.gz XMZJBXNNNFESSM-SGTLLEGYSA-N 0 0 332.831 3.589 10 0 EHAERN Cc1cc(C(=O)OCc2sc(C)nc2C)nn1-c1ccccc1 ZINC000103822950 1133609906 /nfs/dbraw/zinc/60/99/06/1133609906.db2.gz PJSQDBRBOZGTEW-UHFFFAOYSA-N 0 0 327.409 3.611 10 0 EHAERN CCCCCCC(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000102142073 1135465212 /nfs/dbraw/zinc/46/52/12/1135465212.db2.gz NGQOYYHIURDRNV-INIZCTEOSA-N 0 0 335.444 3.954 10 0 EHAERN CCCCN(Cc1ccccc1Cl)C(=O)CCc1cnn(C)c1 ZINC000102613799 1137873546 /nfs/dbraw/zinc/87/35/46/1137873546.db2.gz PMBDRFLYTCFIFD-UHFFFAOYSA-N 0 0 333.863 3.835 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)N1CCC(OCC(C)C)CC1 ZINC000102996672 1137874859 /nfs/dbraw/zinc/87/48/59/1137874859.db2.gz FODBILCZYKZROO-MRXNPFEDSA-N 0 0 333.472 3.852 10 0 EHAERN CN(C[C@@H]1CCCO1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000105598889 1137881271 /nfs/dbraw/zinc/88/12/71/1137881271.db2.gz OXAYLNMLHSYCTK-JTQLQIEISA-N 0 0 327.211 3.726 10 0 EHAERN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)cc1 ZINC000003553872 1138102743 /nfs/dbraw/zinc/10/27/43/1138102743.db2.gz BVORGYNYICHYMN-CQSZACIVSA-N 0 0 342.826 3.948 10 0 EHAERN Cc1ccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)cc1 ZINC000333350509 1138280100 /nfs/dbraw/zinc/28/01/00/1138280100.db2.gz BAOZNWFPDWGOAK-WNRNVDISSA-N 0 0 339.439 3.575 10 0 EHAERN O=C1NCCc2c(N[C@H]3CCCOc4cc5c(cc43)CCC5)cccc21 ZINC000333944314 1138351276 /nfs/dbraw/zinc/35/12/76/1138351276.db2.gz RUQYUXNGUZMOKS-FQEVSTJZSA-N 0 0 348.446 3.787 10 0 EHAERN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333993574 1138358659 /nfs/dbraw/zinc/35/86/59/1138358659.db2.gz LXGYMFVPOISJPX-XHSDSOJGSA-N 0 0 334.419 3.554 10 0 EHAERN CCSc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000185431870 1140150078 /nfs/dbraw/zinc/15/00/78/1140150078.db2.gz DISYGGROPJAFCD-AWEZNQCLSA-N 0 0 331.445 3.676 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2cc(F)c(F)cc2F)cs1 ZINC000187092600 1140238143 /nfs/dbraw/zinc/23/81/43/1140238143.db2.gz QWXHQZUAHMAEQX-HNNXBMFYSA-N 0 0 340.370 3.775 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000190102541 1140386462 /nfs/dbraw/zinc/38/64/62/1140386462.db2.gz NLYZXWDAOWQWCQ-SJORKVTESA-N 0 0 329.444 3.638 10 0 EHAERN Cc1nn([C@@H](C)C(=O)c2ccc(F)cc2)c(C)c1Br ZINC000050593728 214060710 /nfs/dbraw/zinc/06/07/10/214060710.db2.gz BMKDIRONQJUWJT-JTQLQIEISA-N 0 0 325.181 3.845 10 0 EHAERN CNc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1 ZINC000050728478 214068345 /nfs/dbraw/zinc/06/83/45/214068345.db2.gz PJTNZNLFSQPLFP-UHFFFAOYSA-N 0 0 340.608 3.792 10 0 EHAERN CNc1cc(C(=O)Nc2ccccc2Br)cc(Cl)n1 ZINC000050728433 214068708 /nfs/dbraw/zinc/06/87/08/214068708.db2.gz HUWRAPGJFHKZPC-UHFFFAOYSA-N 0 0 340.608 3.792 10 0 EHAERN Nc1ccccc1[C@@H](O)COc1ccc(Br)cc1Cl ZINC000051327916 214088479 /nfs/dbraw/zinc/08/84/79/214088479.db2.gz GLKMZBCDGSXHLB-ZDUSSCGKSA-N 0 0 342.620 3.797 10 0 EHAERN CC(C)[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000097663709 219045794 /nfs/dbraw/zinc/04/57/94/219045794.db2.gz TUXNQRIQNKUFJB-HNNXBMFYSA-N 0 0 334.423 3.709 10 0 EHAERN Cc1ccc(-c2noc(-c3nc(-c4ccccc4)oc3NN)n2)cc1 ZINC000053993870 214208832 /nfs/dbraw/zinc/20/88/32/214208832.db2.gz SWABFARJNQEOBG-UHFFFAOYSA-N 0 0 333.351 3.653 10 0 EHAERN COCCN(C/C=C/c1ccccc1)Cc1cnc2ccccc2n1 ZINC000055270642 214298561 /nfs/dbraw/zinc/29/85/61/214298561.db2.gz MGBDLBQALWZZHJ-JXMROGBWSA-N 0 0 333.435 3.792 10 0 EHAERN CSc1nc(Cl)c([C@@H](O)c2ccccc2)c(N2CCCCC2)n1 ZINC000098178083 219086839 /nfs/dbraw/zinc/08/68/39/219086839.db2.gz TYNLVMLTKYKUCP-AWEZNQCLSA-N 0 0 349.887 3.924 10 0 EHAERN CO[C@@H]1CCN(c2ccc(NC(=O)/C=C\c3cccs3)cc2)C1 ZINC000101322827 219122273 /nfs/dbraw/zinc/12/22/73/219122273.db2.gz QWQFEYVSUQLQMG-HLRDLLSLSA-N 0 0 328.437 3.625 10 0 EHAERN CCCCNC(=O)c1sc(=S)n(-c2c(C)cccc2C)c1N ZINC000003632848 210069211 /nfs/dbraw/zinc/06/92/11/210069211.db2.gz SNTNTXCRHXOZSL-UHFFFAOYSA-N 0 0 335.498 3.997 10 0 EHAERN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(N)c1Br ZINC000043668059 213591150 /nfs/dbraw/zinc/59/11/50/213591150.db2.gz FENPGFZZPYZMKT-UHFFFAOYSA-N 0 0 334.139 3.603 10 0 EHAERN CC(C)c1nc(CN2CCc3onc(-c4cccc(F)c4)c3C2)no1 ZINC000067754454 215202752 /nfs/dbraw/zinc/20/27/52/215202752.db2.gz SYGFCYNDZZQEBV-UHFFFAOYSA-N 0 0 342.374 3.545 10 0 EHAERN Cc1ccc(Br)cc1S(=O)(=O)NCCC1CCCC1 ZINC000104042306 219341058 /nfs/dbraw/zinc/34/10/58/219341058.db2.gz ZJIHJYHZUZMQOZ-UHFFFAOYSA-N 0 0 346.290 3.616 10 0 EHAERN O=C(c1cnn(-c2ccccc2)c1)c1sccc1Br ZINC000104292619 219370421 /nfs/dbraw/zinc/37/04/21/219370421.db2.gz UPYBYQIYQSJDFW-UHFFFAOYSA-N 0 0 333.210 3.927 10 0 EHAERN Nc1cccc(Cl)c1C[S@](=O)c1ccccc1Br ZINC000104316124 219372538 /nfs/dbraw/zinc/37/25/38/219372538.db2.gz OHXFOUYJWKPCHT-GOSISDBHSA-N 0 0 344.661 3.993 10 0 EHAERN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nncs1 ZINC000040883544 213397349 /nfs/dbraw/zinc/39/73/49/213397349.db2.gz HHCLYTRXHNOHAG-DHZHZOJOSA-N 0 0 337.404 3.769 10 0 EHAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Oc1cccnc1 ZINC000040797613 213389065 /nfs/dbraw/zinc/38/90/65/213389065.db2.gz CPAZCKJTQXHMDR-UHFFFAOYSA-N 0 0 331.738 3.782 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040781583 213385777 /nfs/dbraw/zinc/38/57/77/213385777.db2.gz FEOZBOUPEBARKT-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040782116 213386630 /nfs/dbraw/zinc/38/66/30/213386630.db2.gz ZAQRQBWIHWJMBB-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Nc1c(Nc2cccc(Cl)c2)[nH]cnc1=NNc1ccccc1 ZINC000040757454 213383782 /nfs/dbraw/zinc/38/37/82/213383782.db2.gz WQMSVFIWRLBNEX-UHFFFAOYSA-N 0 0 326.791 3.895 10 0 EHAERN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1CCCc1nc2ccccc2o1 ZINC000069157724 215366164 /nfs/dbraw/zinc/36/61/64/215366164.db2.gz PWIAPABYWBDDQW-GOEBONIOSA-N 0 0 349.434 3.628 10 0 EHAERN Cc1c(Cl)cccc1Nc1ncnc(Oc2cccnc2)c1N ZINC000040701638 213371611 /nfs/dbraw/zinc/37/16/11/213371611.db2.gz QAQZJJYBTILJSX-UHFFFAOYSA-N 0 0 327.775 3.952 10 0 EHAERN O=C1NC(c2cccc(F)c2)=N/C1=C/c1ccc(Br)cc1 ZINC000104974246 219443020 /nfs/dbraw/zinc/44/30/20/219443020.db2.gz LPQBFIVDZRMEDU-RIYZIHGNSA-N 0 0 345.171 3.506 10 0 EHAERN COc1ccc2ncc(C(=O)Nc3ccc(Cl)cc3C)c(O)c2c1 ZINC000039962765 213245813 /nfs/dbraw/zinc/24/58/13/213245813.db2.gz UZWARDUEJZVAMR-UHFFFAOYSA-N 0 0 342.782 3.751 10 0 EHAERN O=C(CN1CCCCC1)n1c(COc2ccccc2)nc2ccccc21 ZINC000039773438 213241828 /nfs/dbraw/zinc/24/18/28/213241828.db2.gz LSCVWMAIAQAMQS-UHFFFAOYSA-N 0 0 349.434 3.741 10 0 EHAERN COc1ccc([C@H](CSCc2ccc(C)cc2)[NH2+]CC(=O)[O-])cc1 ZINC000038330379 213207387 /nfs/dbraw/zinc/20/73/87/213207387.db2.gz ICPLHYCPYMMWAH-SFHVURJKSA-N 0 0 345.464 3.652 10 0 EHAERN Nc1cc(F)c(Oc2ccc(I)cc2)c(F)c1 ZINC000038040368 213197586 /nfs/dbraw/zinc/19/75/86/213197586.db2.gz YTKXBPXXMHXFIU-UHFFFAOYSA-N 0 0 347.102 3.944 10 0 EHAERN Cc1cc2ncnn2c(N[C@H](C)c2cccc(Br)c2)c1 ZINC000037984131 213181843 /nfs/dbraw/zinc/18/18/43/213181843.db2.gz YAIHOKNCYQXISL-LLVKDONJSA-N 0 0 331.217 3.973 10 0 EHAERN COC(=O)[C@H](NC1CCCCC1)c1ccc(Br)cc1F ZINC000037972083 213177928 /nfs/dbraw/zinc/17/79/28/213177928.db2.gz LYRAXKXFRFBSEI-CQSZACIVSA-N 0 0 344.224 3.725 10 0 EHAERN C[C@@](Nc1cccc(Br)c1)(C(N)=O)C1CCCCC1 ZINC000037944563 213175378 /nfs/dbraw/zinc/17/53/78/213175378.db2.gz AFCPXCAYHNRDKC-HNNXBMFYSA-N 0 0 325.250 3.685 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2F)o1 ZINC000037493713 213148971 /nfs/dbraw/zinc/14/89/71/213148971.db2.gz UJUQWZKRRYBYHA-SECBINFHSA-N 0 0 326.165 3.981 10 0 EHAERN O=c1[nH]c(SC(c2ccccc2)c2ccccc2)nc2[nH]ncc21 ZINC000036673825 213108577 /nfs/dbraw/zinc/10/85/77/213108577.db2.gz JENCNBIAQVWYSP-UHFFFAOYSA-N 0 0 334.404 3.940 10 0 EHAERN Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1ccccc1F ZINC000036639054 213106517 /nfs/dbraw/zinc/10/65/17/213106517.db2.gz VYCOLXDYIPKJKV-UHFFFAOYSA-N 0 0 331.734 3.587 10 0 EHAERN CCOc1ccccc1-n1nnc(C(=O)Oc2ccc(C)cc2)c1C ZINC000036639014 213106426 /nfs/dbraw/zinc/10/64/26/213106426.db2.gz QXLOKZTWFTVYRT-UHFFFAOYSA-N 0 0 337.379 3.502 10 0 EHAERN CC(C)(C)CC(=O)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315104 213083413 /nfs/dbraw/zinc/08/34/13/213083413.db2.gz VZCPCSVFWKHHNC-AWEZNQCLSA-N 0 0 325.399 3.909 10 0 EHAERN Cc1ccc(-c2c(CO)nnn2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000070457317 215695886 /nfs/dbraw/zinc/69/58/86/215695886.db2.gz ADIRAQNAKPUXGN-UHFFFAOYSA-N 0 0 349.312 3.634 10 0 EHAERN Ic1ccc(NC2Cc3ccccc3C2)cc1 ZINC000035658110 213044041 /nfs/dbraw/zinc/04/40/41/213044041.db2.gz MNMQLSRZGOMWJY-UHFFFAOYSA-N 0 0 335.188 3.871 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000035143630 213011039 /nfs/dbraw/zinc/01/10/39/213011039.db2.gz DJGWMSOJFNWECW-UHFFFAOYSA-N 0 0 349.434 3.534 10 0 EHAERN COC(CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC ZINC000034947788 213002618 /nfs/dbraw/zinc/00/26/18/213002618.db2.gz REVYXPFENQESFO-UHFFFAOYSA-N 0 0 333.425 3.558 10 0 EHAERN CCn1nc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)s1 ZINC000034901097 212995188 /nfs/dbraw/zinc/99/51/88/212995188.db2.gz NEPIRRTXVGGMMN-UHFFFAOYSA-N 0 0 346.843 3.610 10 0 EHAERN CCOC(=O)c1cnc2c(Br)cc(C)cc2c1N(C)C ZINC000072237356 216076474 /nfs/dbraw/zinc/07/64/74/216076474.db2.gz IVAFSBQFFDHGDH-UHFFFAOYSA-N 0 0 337.217 3.548 10 0 EHAERN CCOc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc21 ZINC000000196499 209478190 /nfs/dbraw/zinc/47/81/90/209478190.db2.gz CDIRRLKKJPEWDI-UHFFFAOYSA-N 0 0 334.331 3.909 10 0 EHAERN Cc1ccc(Br)cc1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C ZINC000037574847 213158593 /nfs/dbraw/zinc/15/85/93/213158593.db2.gz BIOBCZKVWUEHJU-TXEJJXNPSA-N 0 0 346.290 3.709 10 0 EHAERN COc1ccc(-c2ccnc(N3CCc4ccccc43)n2)cc1OC ZINC000072443431 216235961 /nfs/dbraw/zinc/23/59/61/216235961.db2.gz OPQOKOCMMYKSLI-UHFFFAOYSA-N 0 0 333.391 3.855 10 0 EHAERN CCOC(=O)[C@@H](CCSC)Nc1ccccc1Br ZINC000037960137 213176047 /nfs/dbraw/zinc/17/60/47/213176047.db2.gz DSZOVOJFOULAGQ-GFCCVEGCSA-N 0 0 332.263 3.546 10 0 EHAERN Nc1cccc(Oc2nc(Cl)nc3nc(N4CCCC4)sc32)c1 ZINC000073736062 216418883 /nfs/dbraw/zinc/41/88/83/216418883.db2.gz BPTLYDPNLGKLDG-UHFFFAOYSA-N 0 0 347.831 3.714 10 0 EHAERN O=c1[nH]nc(SCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215712752 241141034 /nfs/dbraw/zinc/14/10/34/241141034.db2.gz RXFGXLAWXKSNCZ-OUCADQQQSA-N 0 0 333.844 3.654 10 0 EHAERN Cc1cccc(C)c1NC(=O)[C@@H](C)N1c2ccccc2CCCC1=O ZINC000021870834 212256831 /nfs/dbraw/zinc/25/68/31/212256831.db2.gz VVHHYFFMZBLDLU-MRXNPFEDSA-N 0 0 336.435 4.000 10 0 EHAERN S=c1n(Cc2ccccc2)c2ccccc2n1CN1CCOCC1 ZINC000020522979 212143775 /nfs/dbraw/zinc/14/37/75/212143775.db2.gz PZIXAOQAHDKDKV-UHFFFAOYSA-N 0 0 339.464 3.510 10 0 EHAERN Nc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1 ZINC000020343274 212121656 /nfs/dbraw/zinc/12/16/56/212121656.db2.gz FNNWSBOIJTXDNU-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN O=C(/C=C/c1ccc(F)cc1)NCc1ccc(Br)cc1 ZINC000048817194 213968298 /nfs/dbraw/zinc/96/82/98/213968298.db2.gz JLMRUAZQSJEDSI-BJMVGYQFSA-N 0 0 334.188 3.918 10 0 EHAERN C[C@H](O)c1ccccc1NCc1ccc(I)o1 ZINC000049542951 214015113 /nfs/dbraw/zinc/01/51/13/214015113.db2.gz JDULSIUTZNYTKU-VIFPVBQESA-N 0 0 343.164 3.550 10 0 EHAERN CCOC(=O)c1c(=O)[nH]c2cc(F)ccc2c1NCc1cccs1 ZINC000085345749 217660369 /nfs/dbraw/zinc/66/03/69/217660369.db2.gz LWVZLBVHYSYXGX-UHFFFAOYSA-N 0 0 346.383 3.518 10 0 EHAERN Cc1nc2nc([S@](=O)CC(C)(C)C)sc2cc1Br ZINC000089229707 217777726 /nfs/dbraw/zinc/77/77/26/217777726.db2.gz ITAPHHHLXNCOCM-SFHVURJKSA-N 0 0 347.303 3.916 10 0 EHAERN COc1ccc(-c2cc(-c3ccco3)nc3ncnc(N)c32)cc1OC ZINC000009694582 211116413 /nfs/dbraw/zinc/11/64/13/211116413.db2.gz KKYDMKZJPWHHTJ-UHFFFAOYSA-N 0 0 348.362 3.551 10 0 EHAERN COc1ccccc1CNC(=O)c1c(N)sc2c1CCCCC2 ZINC000009246180 211058213 /nfs/dbraw/zinc/05/82/13/211058213.db2.gz AXIADKLNTWHYKK-UHFFFAOYSA-N 0 0 330.453 3.538 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOc2nccs2)C1 ZINC000095085042 218276387 /nfs/dbraw/zinc/27/63/87/218276387.db2.gz LYYGRCRTIFYLTO-CYBMUJFWSA-N 0 0 326.462 3.949 10 0 EHAERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000095075030 218272806 /nfs/dbraw/zinc/27/28/06/218272806.db2.gz AHPXOVPNMGHBHR-AWEZNQCLSA-N 0 0 344.459 3.789 10 0 EHAERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2o1 ZINC000095075178 218272810 /nfs/dbraw/zinc/27/28/10/218272810.db2.gz LLPJXQWAUXSAKP-AWEZNQCLSA-N 0 0 345.443 3.911 10 0 EHAERN FC(F)(F)N(Cc1cccc(I)c1)C1CC1 ZINC000095076921 218273609 /nfs/dbraw/zinc/27/36/09/218273609.db2.gz CZLSEYSVOJCSJJ-UHFFFAOYSA-N 0 0 341.114 3.775 10 0 EHAERN Cc1cc(Cl)nc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095089898 218279416 /nfs/dbraw/zinc/27/94/16/218279416.db2.gz GASCBAQPHAETBC-LBPRGKRZSA-N 0 0 340.855 3.640 10 0 EHAERN O=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000005635464 210506794 /nfs/dbraw/zinc/50/67/94/210506794.db2.gz FTFQQUYROKDXSH-UHFFFAOYSA-N 0 0 331.400 3.941 10 0 EHAERN CC(C)(C)NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000003406983 518736420 /nfs/dbraw/zinc/73/64/20/518736420.db2.gz LTHOLVNOBXPMIU-UHFFFAOYSA-N 0 0 339.511 3.670 10 0 EHAERN CCn1c(C)csc1=Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000000089195 563221858 /nfs/dbraw/zinc/22/18/58/563221858.db2.gz KTLNWZQHGPTYBE-HUUCEWRRSA-O 0 0 332.493 3.721 10 0 EHAERN CCCS(=O)(=O)c1c(C)c(C)n(Cc2cccc(Cl)c2)c1N ZINC000000120841 563234113 /nfs/dbraw/zinc/23/41/13/563234113.db2.gz VBPWDMUQHPGRRF-UHFFFAOYSA-N 0 0 340.876 3.573 10 0 EHAERN Cc1c(N)cc(-c2cc(Br)nn2C)cc1C(F)(F)F ZINC000675080484 564113937 /nfs/dbraw/zinc/11/39/37/564113937.db2.gz RQHCXMGHSYUXKP-UHFFFAOYSA-N 0 0 334.139 3.759 10 0 EHAERN CC[C@H](C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961492 564177196 /nfs/dbraw/zinc/17/71/96/564177196.db2.gz JTLYPBAYTVCZBE-DOTOQJQBSA-N 0 0 348.487 3.627 10 0 EHAERN CC[C@@H](C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961493 564177217 /nfs/dbraw/zinc/17/72/17/564177217.db2.gz JTLYPBAYTVCZBE-NVXWUHKLSA-N 0 0 348.487 3.627 10 0 EHAERN C[C@@H](COCc1ccccc1)CC(=O)CN(C)C(=O)OC(C)(C)C ZINC000685962383 564177266 /nfs/dbraw/zinc/17/72/66/564177266.db2.gz FPXRXGXDSZXGSA-OAHLLOKOSA-N 0 0 335.444 3.665 10 0 EHAERN C[C@H](CC(=O)CCCOCc1ccccc1)NC(=O)OC(C)(C)C ZINC000405633757 564177601 /nfs/dbraw/zinc/17/76/01/564177601.db2.gz YXFMIAGDZOHKRU-OAHLLOKOSA-N 0 0 335.444 3.856 10 0 EHAERN O=C([O-])c1cc(C[NH2+]Cc2sccc2Br)cs1 ZINC000689173961 976239140 /nfs/dbraw/zinc/23/91/40/976239140.db2.gz RYTCGNNASFNAHG-UHFFFAOYSA-N 0 0 332.244 3.560 10 0 EHAERN O=C([O-])[C@]12C[N@H+](Cc3cscc3Br)C[C@H]1CCCC2 ZINC000715877530 977796959 /nfs/dbraw/zinc/79/69/59/977796959.db2.gz YOFXTHFDDBRNRF-BXUZGUMPSA-N 0 0 344.274 3.587 10 0 EHAERN Cc1cc([C@@H]2CCCN(c3nc(C)nc4scc(C)c43)C2)n[nH]1 ZINC000407961135 1016502623 /nfs/dbraw/zinc/50/26/23/1016502623.db2.gz BCRZINVISUBMCU-CYBMUJFWSA-N 0 0 327.457 3.724 10 0 EHAERN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180492389 1016900047 /nfs/dbraw/zinc/90/00/47/1016900047.db2.gz BKXMPPFWXMGJFJ-ZBFHGGJFSA-N 0 0 345.487 3.628 10 0 EHAERN Cn1cc(C=C(Cl)c2nc3cc(Br)ccc3[nH]2)cn1 ZINC000588559417 1016934643 /nfs/dbraw/zinc/93/46/43/1016934643.db2.gz MIUWYTBOSHJDPI-ONNFQVAWSA-N 0 0 337.608 3.796 10 0 EHAERN CC(=O)c1ccc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)[nH]1 ZINC000408022441 1017019118 /nfs/dbraw/zinc/01/91/18/1017019118.db2.gz MPSWNWZTPYDXSG-OAQYLSRUSA-N 0 0 336.435 3.728 10 0 EHAERN CC(C)c1cccc(NC(=O)N2CCCN(c3ccccn3)CC2)c1 ZINC000184039050 1032227035 /nfs/dbraw/zinc/22/70/35/1032227035.db2.gz STWSEERFZQMQGR-UHFFFAOYSA-N 0 0 338.455 3.949 10 0 EHAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000184230986 1032276200 /nfs/dbraw/zinc/27/62/00/1032276200.db2.gz BPMRLMQDAJGDFJ-BXKDBHETSA-N 0 0 341.782 3.758 10 0 EHAERN C[C@H](NC(=O)N1CC=C(c2ccccc2F)CC1)c1ccccn1 ZINC000184373270 1032287237 /nfs/dbraw/zinc/28/72/37/1032287237.db2.gz GRSVESLPZPGNBN-AWEZNQCLSA-N 0 0 325.387 3.781 10 0 EHAERN CSc1cccc(C)c1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000184597120 1032301208 /nfs/dbraw/zinc/30/12/08/1032301208.db2.gz VHGJGNJWBIFXEJ-CYBMUJFWSA-N 0 0 326.421 3.781 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCCC3(CC3)C2)c1C ZINC000184644225 1032312773 /nfs/dbraw/zinc/31/27/73/1032312773.db2.gz YSECVVNRRMPIIY-UHFFFAOYSA-N 0 0 336.819 3.843 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccsc2)c2ccc(F)cc2C1 ZINC000185399901 1032389066 /nfs/dbraw/zinc/38/90/66/1032389066.db2.gz YKKVQXWQACNCSK-INIZCTEOSA-N 0 0 347.415 3.502 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000083544545 1032396522 /nfs/dbraw/zinc/39/65/22/1032396522.db2.gz QQUPEYHBPNYQPN-ZUCKAHLUSA-N 0 0 333.407 3.969 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C(C)(C)CC(C)C)c2ccc(F)cc2C1 ZINC000185539053 1032440046 /nfs/dbraw/zinc/44/00/46/1032440046.db2.gz VVXJBEQSGPPWAO-SFHVURJKSA-N 0 0 348.462 3.808 10 0 EHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C=O)cc1)CCC2 ZINC000119050826 1032553093 /nfs/dbraw/zinc/55/30/93/1032553093.db2.gz KQIGLLHJFDGZKG-HNNXBMFYSA-N 0 0 328.437 3.668 10 0 EHAERN O=C(NC1(c2ccccc2)CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000113914671 1018170872 /nfs/dbraw/zinc/17/08/72/1018170872.db2.gz JUAROJRAELUVOI-UHFFFAOYSA-N 0 0 334.419 3.771 10 0 EHAERN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)no1 ZINC000052400061 1018793834 /nfs/dbraw/zinc/79/38/34/1018793834.db2.gz SUIZWVYFMCYSOJ-AWEZNQCLSA-N 0 0 327.409 3.960 10 0 EHAERN CCO[C@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@H]1C ZINC000333252155 1018973209 /nfs/dbraw/zinc/97/32/09/1018973209.db2.gz SDTGIBQXNSHGPE-KOLCDFICSA-N 0 0 325.459 3.637 10 0 EHAERN Cc1nc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)sc1C ZINC000333308105 1019071363 /nfs/dbraw/zinc/07/13/63/1019071363.db2.gz UVSYCTABJSJUNC-ZETCQYMHSA-N 0 0 336.891 3.514 10 0 EHAERN CCCc1nc([C@@H](Nc2nc(CC)ns2)c2ccccc2)no1 ZINC000092684337 1032812408 /nfs/dbraw/zinc/81/24/08/1032812408.db2.gz FXOBEYGDXZUADF-AWEZNQCLSA-N 0 0 329.429 3.638 10 0 EHAERN COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(Cl)cn1 ZINC000588385455 1019839160 /nfs/dbraw/zinc/83/91/60/1019839160.db2.gz HAZWNWZKBWZKOD-RAXLEYEMSA-N 0 0 330.815 3.549 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N2CCC[C@H](C)[C@H]2CO)cc1Cl ZINC000089876613 1020317021 /nfs/dbraw/zinc/31/70/21/1020317021.db2.gz XHFHWGDSBOOVAF-LKFCYVNXSA-N 0 0 331.243 3.927 10 0 EHAERN CCCCC[C@H](C)CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164616544 1021793771 /nfs/dbraw/zinc/79/37/71/1021793771.db2.gz GBNIIHLKHOBUJY-JZXOWHBKSA-N 0 0 334.504 3.595 10 0 EHAERN COc1ccccc1/C(C)=C\C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000588430830 1021904190 /nfs/dbraw/zinc/90/41/90/1021904190.db2.gz CJNYGWRQMZJYQX-OWBHPGMISA-N 0 0 340.427 3.834 10 0 EHAERN O=S(=O)(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccs1 ZINC000122949519 1022281964 /nfs/dbraw/zinc/28/19/64/1022281964.db2.gz FTVIJYICIYJWBB-CQSZACIVSA-N 0 0 349.477 3.863 10 0 EHAERN Cc1[nH]c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2c1C ZINC000127617505 1022387596 /nfs/dbraw/zinc/38/75/96/1022387596.db2.gz BORXGUDXDOYCNU-UZLBHIALSA-N 0 0 326.440 3.552 10 0 EHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127755204 1022392820 /nfs/dbraw/zinc/39/28/20/1022392820.db2.gz DCNPVQVHLLIJGH-BLLLJJGKSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127748527 1022393593 /nfs/dbraw/zinc/39/35/93/1022393593.db2.gz OZWUUQNDSSVIFQ-SUMWQHHRSA-N 0 0 348.493 3.639 10 0 EHAERN Cc1cccc(Oc2ccc(NC(=O)/C=C\c3ccncn3)cn2)c1C ZINC000588438699 1022442828 /nfs/dbraw/zinc/44/28/28/1022442828.db2.gz RFBGGJLSZCQWBR-VURMDHGXSA-N 0 0 346.390 3.933 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1C ZINC000101735301 1022687592 /nfs/dbraw/zinc/68/75/92/1022687592.db2.gz ZHKNMXJBYPRFTM-INIZCTEOSA-N 0 0 345.487 3.708 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCSc1ccc(Cl)cc1 ZINC000588451567 1023006799 /nfs/dbraw/zinc/00/67/99/1023006799.db2.gz OIRVLYLBRDWCBP-HJWRWDBZSA-N 0 0 332.856 3.965 10 0 EHAERN CC[C@@H](CNC(=O)/C=C\c1ncccc1C)Oc1ccccc1F ZINC000588454474 1023059457 /nfs/dbraw/zinc/05/94/57/1023059457.db2.gz TUHAVNXSHPCMAE-WOLCWHLNSA-N 0 0 328.387 3.516 10 0 EHAERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)/C=C\c1cncc(C)c1 ZINC000588462732 1023286130 /nfs/dbraw/zinc/28/61/30/1023286130.db2.gz ADTKJDSFSDOSAZ-VJIACCKLSA-N 0 0 335.451 3.531 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)NCc1ccc(C(F)F)cc1 ZINC000588469039 1023587653 /nfs/dbraw/zinc/58/76/53/1023587653.db2.gz AHBSWVVJDGTHCT-KTKRTIGZSA-N 0 0 341.354 3.854 10 0 EHAERN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000588471437 1023692563 /nfs/dbraw/zinc/69/25/63/1023692563.db2.gz MUQKIVSXADBVRK-KVPUOBJLSA-N 0 0 349.858 3.934 10 0 EHAERN COc1cccc(/C(C)=C\C(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000588479268 1023882219 /nfs/dbraw/zinc/88/22/19/1023882219.db2.gz JJFBAQPSKSBRAI-LVWOJMJRSA-N 0 0 339.391 3.553 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638208 1023956248 /nfs/dbraw/zinc/95/62/48/1023956248.db2.gz YTBXSHMTHOHTRY-NXEZDXNNSA-N 0 0 333.476 3.925 10 0 EHAERN Nc1nnc(SCc2ncc(-c3ccccc3Cl)o2)n1C1CC1 ZINC000150875964 1023972710 /nfs/dbraw/zinc/97/27/10/1023972710.db2.gz NCMAHPXDQLROFE-UHFFFAOYSA-N 0 0 347.831 3.796 10 0 EHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329653578 1023986488 /nfs/dbraw/zinc/98/64/88/1023986488.db2.gz LHXAVFSICXGRAX-YESZJQIVSA-N 0 0 343.471 3.869 10 0 EHAERN Clc1ccccc1-c1cnc(CSc2ncnc3[nH]cnc32)o1 ZINC000151040578 1024039384 /nfs/dbraw/zinc/03/93/84/1024039384.db2.gz OEKLHFXZZZJOTE-UHFFFAOYSA-N 0 0 343.799 3.954 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@H]3CC(=O)N(CC4CC4)C3)no2)CC(C)(C)C1 ZINC000329739482 1024166752 /nfs/dbraw/zinc/16/67/52/1024166752.db2.gz UWNCMNMOAHFLCR-SNPRPXQTSA-N 0 0 331.460 3.725 10 0 EHAERN C/C(=C/C(=O)N1CCC(=O)[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000588613571 1033190403 /nfs/dbraw/zinc/19/04/03/1033190403.db2.gz ZLZCCILLYZMODM-MMRAYRKESA-N 0 0 325.330 3.546 10 0 EHAERN Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]32)ccc1OC1CCOCC1 ZINC000329974984 1024272662 /nfs/dbraw/zinc/27/26/62/1024272662.db2.gz XWPCWDBXCKKFNS-WMLDXEAASA-N 0 0 330.428 3.569 10 0 EHAERN CCO[C@H]1C[C@@H](Nc2ncncc2-c2ccccc2)C12CCOCC2 ZINC000329989691 1024276092 /nfs/dbraw/zinc/27/60/92/1024276092.db2.gz VMLHBOUKTPKJBT-MSOLQXFVSA-N 0 0 339.439 3.530 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000280940682 1024457108 /nfs/dbraw/zinc/45/71/08/1024457108.db2.gz FPSMAJZJMDXIBK-NXWXRZEISA-N 0 0 346.446 3.538 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000281176624 1024705215 /nfs/dbraw/zinc/70/52/15/1024705215.db2.gz LOGJTEZXUPNNKP-JCHJZTRSSA-N 0 0 330.472 3.781 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1ccc(Cl)cc1OC ZINC000104460728 1024764797 /nfs/dbraw/zinc/76/47/97/1024764797.db2.gz PBYUBMWGLRLXPX-UHFFFAOYSA-N 0 0 333.815 3.672 10 0 EHAERN CNC(=O)c1cccc(NC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000105352002 1024925643 /nfs/dbraw/zinc/92/56/43/1024925643.db2.gz MTVOJSLGFLIOJT-UHFFFAOYSA-N 0 0 341.411 3.616 10 0 EHAERN Cc1csc2c1ncnc2N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000329215521 1025671593 /nfs/dbraw/zinc/67/15/93/1025671593.db2.gz MUBZUMMUAAFLKP-CQSZACIVSA-N 0 0 339.468 3.943 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)no1 ZINC000329265298 1025705150 /nfs/dbraw/zinc/70/51/50/1025705150.db2.gz FTOLWNMINGACNN-QRVBRYPASA-N 0 0 347.418 3.998 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000588510895 1025775735 /nfs/dbraw/zinc/77/57/35/1025775735.db2.gz UFFNOSRHADOQRT-XFXZXTDPSA-N 0 0 339.370 3.845 10 0 EHAERN CC(C)[C@H]1NC(=O)N([C@H]2CC3(CCCC3)Oc3ccccc32)C1=O ZINC000329377888 1025791846 /nfs/dbraw/zinc/79/18/46/1025791846.db2.gz OTEHVZIDTAIPKM-GOEBONIOSA-N 0 0 328.412 3.604 10 0 EHAERN COc1ccccc1CNC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103176062 1026054310 /nfs/dbraw/zinc/05/43/10/1026054310.db2.gz VHRPOEWNKGRBAY-UHFFFAOYSA-N 0 0 337.423 3.527 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3cccc(F)c3)c21 ZINC000103317280 1026075855 /nfs/dbraw/zinc/07/58/55/1026075855.db2.gz MCWPXBWRMDJNMC-UHFFFAOYSA-N 0 0 339.414 4.000 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3nc(C)cs3)C2)cc1 ZINC000122123494 1026247643 /nfs/dbraw/zinc/24/76/43/1026247643.db2.gz BVGTWRPMIMDGTJ-UKRRQHHQSA-N 0 0 345.468 3.548 10 0 EHAERN CC[C@@H](CC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)C(C)C ZINC000104381444 1026259272 /nfs/dbraw/zinc/25/92/72/1026259272.db2.gz QWGQSCZCHFQEBD-IRXDYDNUSA-N 0 0 332.488 3.710 10 0 EHAERN COc1ccc([C@@H](C)NC(=O)NCc2cc(F)ccc2F)cc1F ZINC000104777573 1026411611 /nfs/dbraw/zinc/41/16/11/1026411611.db2.gz USFVPJAIMAYOFX-SNVBAGLBSA-N 0 0 338.329 3.673 10 0 EHAERN CC(=O)Oc1ccc(C[NH+]2CCC(c3nc(C)cs3)CC2)cc1 ZINC000123017036 1026935152 /nfs/dbraw/zinc/93/51/52/1026935152.db2.gz HAVWTWYSKHDFFW-UHFFFAOYSA-N 0 0 330.453 3.756 10 0 EHAERN O=C1[C@@H]2CCCCN2C(=O)N1Cc1csc(C2CCCCC2)n1 ZINC000102828513 1026984908 /nfs/dbraw/zinc/98/49/08/1026984908.db2.gz UIGLBJZCLMPXOS-AWEZNQCLSA-N 0 0 333.457 3.508 10 0 EHAERN Cc1c([C@H]2CCCN2c2nnc(Cc3ccccc3)s2)cnn1C ZINC000302179564 1027081313 /nfs/dbraw/zinc/08/13/13/1027081313.db2.gz ROPBIYFMVKECCT-MRXNPFEDSA-N 0 0 339.468 3.512 10 0 EHAERN Cc1c([C@@H]2CCCN2c2nnc(Cc3ccccc3)s2)cnn1C ZINC000302179563 1027081365 /nfs/dbraw/zinc/08/13/65/1027081365.db2.gz ROPBIYFMVKECCT-INIZCTEOSA-N 0 0 339.468 3.512 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)NCC(C)(C)C2CCCC2)CC1 ZINC000125687987 1027112990 /nfs/dbraw/zinc/11/29/90/1027112990.db2.gz RLPJSCBFLSIIIB-UHFFFAOYSA-N 0 0 346.519 3.601 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(C)cc1OC ZINC000105014908 1027481001 /nfs/dbraw/zinc/48/10/01/1027481001.db2.gz PRCRGVUCZDIXRA-UHFFFAOYSA-N 0 0 328.412 3.719 10 0 EHAERN Cc1cc([C@@H]2CN(C(=O)[C@@]3(C)CC3(Cl)Cl)CCO2)ccc1F ZINC000129033302 1027511733 /nfs/dbraw/zinc/51/17/33/1027511733.db2.gz XIXYPTABTOPKKP-DZGCQCFKSA-N 0 0 346.229 3.618 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCSc1ccccc1 ZINC000105089173 1027761029 /nfs/dbraw/zinc/76/10/29/1027761029.db2.gz BVMAPOJRIYEUCE-UHFFFAOYSA-N 0 0 343.496 3.838 10 0 EHAERN COc1ccc(/C=C(/C)C(=O)N[C@H](C)c2ccncc2OC)cc1F ZINC000588550476 1027814767 /nfs/dbraw/zinc/81/47/67/1027814767.db2.gz WTKFNDLDSKXXCH-KIWPFMIBSA-N 0 0 344.386 3.519 10 0 EHAERN Cc1cccnc1/C=C\C(=O)O[C@H](C)c1noc(-c2ccccc2)n1 ZINC000588552211 1027883293 /nfs/dbraw/zinc/88/32/93/1027883293.db2.gz QUOLVYPGXDWWGE-IWMPZKFUSA-N 0 0 335.363 3.758 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)n1 ZINC000132517246 1027933212 /nfs/dbraw/zinc/93/32/12/1027933212.db2.gz ASDYOHUYIJUFQM-WOJBJXKFSA-N 0 0 349.478 3.587 10 0 EHAERN Cc1c(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)oc2c1C(=O)CCC2 ZINC000246192458 1027936272 /nfs/dbraw/zinc/93/62/72/1027936272.db2.gz LAMGPUYSGUFLEP-GDIGMMSISA-N 0 0 335.403 3.565 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC000078566734 1027970208 /nfs/dbraw/zinc/97/02/08/1027970208.db2.gz PLBOIGQSUXHXNJ-STQMWFEESA-N 0 0 335.835 3.952 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC[C@H]1CCC[C@@H](C)C1)C2 ZINC000115852702 1027986628 /nfs/dbraw/zinc/98/66/28/1027986628.db2.gz DSLUNLJMOWBGEP-HZPDHXFCSA-N 0 0 346.519 3.828 10 0 EHAERN COc1ccc(-c2cncc(C(=O)N[C@@H](C)c3ccncc3)c2)cc1 ZINC000133234391 1028011560 /nfs/dbraw/zinc/01/15/60/1028011560.db2.gz RILIHODTTOSLCO-AWEZNQCLSA-N 0 0 333.391 3.643 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CC/C=C/c3ccccc3)CCO2)o1 ZINC000133338849 1028018524 /nfs/dbraw/zinc/01/85/24/1028018524.db2.gz ZGMNXOKJPSRFJW-SQUITACLSA-N 0 0 325.408 3.982 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C)n(C4CC4)c3C)CCO2)o1 ZINC000133609048 1028049425 /nfs/dbraw/zinc/04/94/25/1028049425.db2.gz OZPNJBSRKOGEKR-SFHVURJKSA-N 0 0 328.412 3.555 10 0 EHAERN CCOCCC1(CNC(=O)[C@@H]2Oc3ccccc3[C@H]2C)CCCC1 ZINC000134144083 1028097008 /nfs/dbraw/zinc/09/70/08/1028097008.db2.gz ALRYHWKZYHJBSW-CRAIPNDOSA-N 0 0 331.456 3.654 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3[nH]c4ccc(C)cc4c3C)CCO2)o1 ZINC000134177156 1028098782 /nfs/dbraw/zinc/09/87/82/1028098782.db2.gz PZZMKQSOGOTVLN-GOSISDBHSA-N 0 0 338.407 3.900 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](C)c1ccncc1)c1ncc(-c2ccccc2)o1 ZINC000153534244 1028108326 /nfs/dbraw/zinc/10/83/26/1028108326.db2.gz XIYWZUSQVFFPLH-UONOGXRCSA-N 0 0 336.395 3.858 10 0 EHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2CCCc3occc32)n1 ZINC000135006415 1028164417 /nfs/dbraw/zinc/16/44/17/1028164417.db2.gz WHMFVQHCYYVLEU-CYBMUJFWSA-N 0 0 337.370 3.877 10 0 EHAERN CC[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 ZINC000055967545 1028301480 /nfs/dbraw/zinc/30/14/80/1028301480.db2.gz QZRQTQKEOLEAKM-STQMWFEESA-N 0 0 332.400 3.581 10 0 EHAERN CC(C)NC(=O)c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000248427567 1028370900 /nfs/dbraw/zinc/37/09/00/1028370900.db2.gz OTPNXTZUFXIRDE-WBAXXEDZSA-N 0 0 343.471 3.867 10 0 EHAERN O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555265 1028450268 /nfs/dbraw/zinc/45/02/68/1028450268.db2.gz GONRVXBZXNAXPG-CQSZACIVSA-N 0 0 331.362 3.896 10 0 EHAERN Cc1ccc(-c2n[nH]cc2CNc2ccc3c(c2)CC(=O)N3C)cc1 ZINC000193679009 1028456303 /nfs/dbraw/zinc/45/63/03/1028456303.db2.gz HZDFPGSXTVKNST-UHFFFAOYSA-N 0 0 332.407 3.516 10 0 EHAERN C[C@H]1CCC[C@@H](OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000070674242 1028458099 /nfs/dbraw/zinc/45/80/99/1028458099.db2.gz XKPBDRYNOVOJHX-KBXCAEBGSA-N 0 0 347.430 3.800 10 0 EHAERN Cc1cc(NC(=O)[C@H]2CCCc3cccnc32)cnc1Br ZINC000194850152 1028553411 /nfs/dbraw/zinc/55/34/11/1028553411.db2.gz UPXNBOJYTGLBSK-ZDUSSCGKSA-N 0 0 346.228 3.606 10 0 EHAERN Fc1ccccc1-n1cc(N[C@@H](c2cccs2)c2ncc[nH]2)cn1 ZINC000195100460 1028578890 /nfs/dbraw/zinc/57/88/90/1028578890.db2.gz JHTQSRFZBQBEFV-INIZCTEOSA-N 0 0 339.399 3.998 10 0 EHAERN Fc1ccc2c(c1)[C@H](N[C@H](c1cccs1)c1ncc[nH]1)CCO2 ZINC000195125392 1028583084 /nfs/dbraw/zinc/58/30/84/1028583084.db2.gz ISHKFIARNWNDOH-CZUORRHYSA-N 0 0 329.400 3.813 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCO2)o1 ZINC000246497182 1028630592 /nfs/dbraw/zinc/63/05/92/1028630592.db2.gz KDJFDGCLKDXPTB-JZXOWHBKSA-N 0 0 345.826 3.945 10 0 EHAERN C[C@@H]1CN(Cc2nc3ccccc3n2C)C[C@@H](c2ccsc2)O1 ZINC000246573676 1028662144 /nfs/dbraw/zinc/66/21/44/1028662144.db2.gz SAADXHDHMJHYJV-DYVFJYSZSA-N 0 0 327.453 3.597 10 0 EHAERN C[C@H](C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1)c1cccnc1 ZINC000246648328 1028673454 /nfs/dbraw/zinc/67/34/54/1028673454.db2.gz KBYYUVZJUQYENZ-CGTJXYLNSA-N 0 0 342.439 3.673 10 0 EHAERN O=C(NCc1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000075497032 1028684142 /nfs/dbraw/zinc/68/41/42/1028684142.db2.gz PKIPICRKLAEADH-UHFFFAOYSA-N 0 0 327.403 3.612 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)[C@H](C)c3ccccc3)CCO2)o1 ZINC000246839991 1028699455 /nfs/dbraw/zinc/69/94/55/1028699455.db2.gz QJTALGNJZJZEHX-FCEWJHQRSA-N 0 0 342.439 3.863 10 0 EHAERN Cc1ccc([C@H]2CN([C@@H](C)C(=O)Nc3ccc(C)cc3C)CCO2)o1 ZINC000247103256 1028746227 /nfs/dbraw/zinc/74/62/27/1028746227.db2.gz WKNQSHMVDSPYOR-QFBILLFUSA-N 0 0 342.439 3.605 10 0 EHAERN COc1cccc([C@H](C)CC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000247191945 1028756411 /nfs/dbraw/zinc/75/64/11/1028756411.db2.gz YJFLNIXJXYTHQY-SJFSSXKUSA-N 0 0 343.467 3.653 10 0 EHAERN CCCCc1noc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000247242593 1028762830 /nfs/dbraw/zinc/76/28/30/1028762830.db2.gz TVNRZQMFFBEQFW-ZIAGYGMSSA-N 0 0 335.473 3.562 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(SC(F)F)cc2)[C@@H]2CCO[C@H]21 ZINC000247299334 1028773324 /nfs/dbraw/zinc/77/33/24/1028773324.db2.gz VAAYDHCUINSJAU-YNEHKIRRSA-N 0 0 327.396 3.545 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)cc2cccnc21 ZINC000247338190 1028780662 /nfs/dbraw/zinc/78/06/62/1028780662.db2.gz JJGZHWRNGITGIL-NUEKZKHPSA-N 0 0 330.815 3.576 10 0 EHAERN O=C(/C=C/c1cc(Cl)ccc1Cl)N1CC[C@]2(CCOC2)C1 ZINC000153814235 1028789237 /nfs/dbraw/zinc/78/92/37/1028789237.db2.gz FUZOBXSZLJCJBQ-SIEGMDDESA-N 0 0 326.223 3.646 10 0 EHAERN C[C@H]1CC[C@@H](CCC(=O)N2CCC(Nc3ccccc3F)CC2)O1 ZINC000075805807 1028793843 /nfs/dbraw/zinc/79/38/43/1028793843.db2.gz GSKOMIMBRGLNPP-HOCLYGCPSA-N 0 0 334.435 3.576 10 0 EHAERN Cc1ccc(O)c(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000075805990 1028795086 /nfs/dbraw/zinc/79/50/86/1028795086.db2.gz SGRQEZXDRSGKED-UHFFFAOYSA-N 0 0 328.387 3.556 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4[nH]ccc4c3)CCO2)o1 ZINC000153840169 1028807188 /nfs/dbraw/zinc/80/71/88/1028807188.db2.gz GFOAENQLOHPXTM-KRWDZBQOSA-N 0 0 325.368 3.675 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4[nH]ccc4c3)CCO2)o1 ZINC000153840278 1028807952 /nfs/dbraw/zinc/80/79/52/1028807952.db2.gz GFOAENQLOHPXTM-QGZVFWFLSA-N 0 0 325.368 3.675 10 0 EHAERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1-c1ncco1 ZINC000248156765 1028852367 /nfs/dbraw/zinc/85/23/67/1028852367.db2.gz RLMHEPJNKTZVSQ-UAGQMJEPSA-N 0 0 341.411 3.729 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(F)c(F)cc3F)CCO2)o1 ZINC000153978047 1028950809 /nfs/dbraw/zinc/95/08/09/1028950809.db2.gz YNLBGQJQWNPIKD-OAHLLOKOSA-N 0 0 340.301 3.611 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@@H]2CCCC[C@H]21 ZINC000249460172 1029004562 /nfs/dbraw/zinc/00/45/62/1029004562.db2.gz QNXSEJGDZSREQQ-ISTRZQFTSA-N 0 0 342.443 3.706 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2C[C@@H](O)c2ccccc2Cl)no1 ZINC000249898500 1029031779 /nfs/dbraw/zinc/03/17/79/1029031779.db2.gz SFVOEQAMLIJDOS-HUUCEWRRSA-N 0 0 335.835 3.717 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1Cl ZINC000245781977 1029289882 /nfs/dbraw/zinc/28/98/82/1029289882.db2.gz HQJUMXVWWQIRCS-LERXQTSPSA-N 0 0 326.223 3.681 10 0 EHAERN CNC(=O)c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000248454518 1029322734 /nfs/dbraw/zinc/32/27/34/1029322734.db2.gz ZLJPUWUUJAOORH-RBOXIYTFSA-N 0 0 349.862 3.742 10 0 EHAERN CCO[C@@H]1C[C@H](N[C@@H](c2nnc(C)[nH]2)c2ccccc2)C12CCCC2 ZINC000245874709 1029406487 /nfs/dbraw/zinc/40/64/87/1029406487.db2.gz JYLOHQKLLKVWOK-RCCFBDPRSA-N 0 0 340.471 3.530 10 0 EHAERN Cc1nc(CC(C)C)oc1C(=O)n1ccccc1=NC1CCCCC1 ZINC000588571373 1029416741 /nfs/dbraw/zinc/41/67/41/1029416741.db2.gz MBWGXEKAKQDBFA-UHFFFAOYSA-N 0 0 341.455 3.905 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N(C1CC1)C1CCCC1 ZINC000155774947 1029647568 /nfs/dbraw/zinc/64/75/68/1029647568.db2.gz ZJJKVAANGAGXFE-UHFFFAOYSA-N 0 0 333.501 3.834 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ncccc3OC(C)C)CC2)n1 ZINC000079803298 1029725344 /nfs/dbraw/zinc/72/53/44/1029725344.db2.gz WNMICMOUXYYHQP-UHFFFAOYSA-N 0 0 345.468 3.654 10 0 EHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000114814965 1029841346 /nfs/dbraw/zinc/84/13/46/1029841346.db2.gz QABQTBVKWIOXGW-SECBINFHSA-N 0 0 341.358 3.972 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3ccc(C)c(O)c3)C2)cc1 ZINC000089452903 1029915472 /nfs/dbraw/zinc/91/54/72/1029915472.db2.gz KRBCXOVANJPTHM-MAUKXSAKSA-N 0 0 339.435 3.656 10 0 EHAERN CCOCc1nnc(N2CCC[C@H]2c2ccc(F)cc2C)n1CC ZINC000453452522 1030294448 /nfs/dbraw/zinc/29/44/48/1030294448.db2.gz TYEKRHKVHXNBSS-INIZCTEOSA-N 0 0 332.423 3.624 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc(C=O)cc4)C3)nc2c1 ZINC000160004808 1030486661 /nfs/dbraw/zinc/48/66/61/1030486661.db2.gz CCMIGIQUNDNKFG-QGZVFWFLSA-N 0 0 347.418 3.704 10 0 EHAERN Cc1cc(N2CCC(Cc3ccccn3)CC2)nc(-c2cccnc2)n1 ZINC000171631943 1030768658 /nfs/dbraw/zinc/76/86/58/1030768658.db2.gz PBPQMNGTMUXDGN-UHFFFAOYSA-N 0 0 345.450 3.701 10 0 EHAERN O=C(c1cc2ccccc2[nH]c1=O)N1CC=C(c2cccs2)CC1 ZINC000172153100 1030841019 /nfs/dbraw/zinc/84/10/19/1030841019.db2.gz QQAHSSIVOXQFFY-UHFFFAOYSA-N 0 0 336.416 3.519 10 0 EHAERN O=C(NCc1ccc(Cl)s1)N1CCC[C@@H](c2nccs2)C1 ZINC000172224619 1030873692 /nfs/dbraw/zinc/87/36/92/1030873692.db2.gz HEIBNKIHXJJENH-SNVBAGLBSA-N 0 0 341.889 3.947 10 0 EHAERN CC1(C)CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000172669095 1030958692 /nfs/dbraw/zinc/95/86/92/1030958692.db2.gz OGTKGSQERMYZJO-UHFFFAOYSA-N 0 0 348.512 3.685 10 0 EHAERN CC[C@@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000172570612 1030971891 /nfs/dbraw/zinc/97/18/91/1030971891.db2.gz IIEVFVSFMCRJRE-GDBMZVCRSA-N 0 0 348.512 3.685 10 0 EHAERN C[C@@H]1CCC[C@H](C)N(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000172706648 1030980776 /nfs/dbraw/zinc/98/07/76/1030980776.db2.gz RJBZDAPQFDXHTN-CABCVRRESA-N 0 0 348.512 3.637 10 0 EHAERN Cc1csc(C2CCN(C(=O)CNc3c(C)cccc3C)CC2)n1 ZINC000173431962 1031086851 /nfs/dbraw/zinc/08/68/51/1031086851.db2.gz IQMPYCIXPAZSOL-UHFFFAOYSA-N 0 0 343.496 3.886 10 0 EHAERN CCCc1ncc(C(=O)N2CCC(c3nc(C)cs3)CC2)s1 ZINC000173431789 1031087183 /nfs/dbraw/zinc/08/71/83/1031087183.db2.gz FIAXAIYKBQMVOC-UHFFFAOYSA-N 0 0 335.498 3.880 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC[C@H]3CC[C@@H](C)O3)C2)cc1 ZINC000174015868 1031193490 /nfs/dbraw/zinc/19/34/90/1031193490.db2.gz KDHHEYBEZOWZAL-BUIAKZPTSA-N 0 0 331.456 3.747 10 0 EHAERN COc1cc(C)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174384534 1031208702 /nfs/dbraw/zinc/20/87/02/1031208702.db2.gz RNROAWXMSIYYCV-ZBFHGGJFSA-N 0 0 328.416 3.506 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000116653481 1031261479 /nfs/dbraw/zinc/26/14/79/1031261479.db2.gz OFHLUPRVBIRTPK-INIZCTEOSA-N 0 0 342.266 3.949 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 ZINC000175406849 1031303722 /nfs/dbraw/zinc/30/37/22/1031303722.db2.gz MLSALPKVOBTESD-KRWDZBQOSA-N 0 0 339.435 3.653 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccc(F)c3F)C2)c1 ZINC000175413053 1031306521 /nfs/dbraw/zinc/30/65/21/1031306521.db2.gz PRGKTCMMPAMZCS-GFCCVEGCSA-N 0 0 347.361 3.612 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCCC[C@H]3C)CC2)nc1 ZINC000175277190 1031320151 /nfs/dbraw/zinc/32/01/51/1031320151.db2.gz NRLQIJLJOPGJKO-AEFFLSMTSA-N 0 0 344.503 3.579 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)o1 ZINC000176741994 1031456843 /nfs/dbraw/zinc/45/68/43/1031456843.db2.gz ZVPVFXLBJRMKNQ-MKXCXHGISA-N 0 0 327.380 3.609 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCO[C@@H](c2ccco2)C1 ZINC000176783018 1031485526 /nfs/dbraw/zinc/48/55/26/1031485526.db2.gz VBUPGZDSLBKDBP-CQSZACIVSA-N 0 0 346.433 3.678 10 0 EHAERN CC(C)(C)c1ncsc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000176789765 1031485542 /nfs/dbraw/zinc/48/55/42/1031485542.db2.gz BZAHIBUSZZCIIZ-UHFFFAOYSA-N 0 0 343.496 3.931 10 0 EHAERN O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](c2nccs2)C1 ZINC000177194206 1031521601 /nfs/dbraw/zinc/52/16/01/1031521601.db2.gz QTMJWIREODRXEX-VIFPVBQESA-N 0 0 326.343 3.580 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3coc(-c4cccc(F)c4)n3)CCO2)o1 ZINC000158692539 1031544191 /nfs/dbraw/zinc/54/41/91/1031544191.db2.gz XXQNJOFYIFKFEA-SFHVURJKSA-N 0 0 342.370 3.956 10 0 EHAERN O=C(Cc1cc(F)c(F)cc1F)N1CCC(Cc2ccccn2)CC1 ZINC000177896673 1031635346 /nfs/dbraw/zinc/63/53/46/1031635346.db2.gz PLOTXRCBDAIOOM-UHFFFAOYSA-N 0 0 348.368 3.523 10 0 EHAERN O=C(CCCCCc1cccs1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178659311 1031712385 /nfs/dbraw/zinc/71/23/85/1031712385.db2.gz PXZGOMSLQJZRFR-MJGOQNOKSA-N 0 0 329.465 3.626 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(C)cc3)CCO2)o1 ZINC000179121796 1031752874 /nfs/dbraw/zinc/75/28/74/1031752874.db2.gz URNLWIDOSKWFMD-YJBOKZPZSA-N 0 0 328.412 3.741 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2ccc(Cl)nc2)c2ccccc2)[nH]1 ZINC000179119419 1031753038 /nfs/dbraw/zinc/75/30/38/1031753038.db2.gz LTDRONJLEJQRKL-MEDUHNTESA-N 0 0 327.819 3.602 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NCc3cc4ccccc4o3)CCO2)o1 ZINC000179159952 1031753489 /nfs/dbraw/zinc/75/34/89/1031753489.db2.gz GOWMQKQXBBQALA-GOSISDBHSA-N 0 0 340.379 3.617 10 0 EHAERN O=C(c1cccc(-n2ccnc2)c1)N1CC=C(c2ccccc2)CC1 ZINC000117570828 1031754139 /nfs/dbraw/zinc/75/41/39/1031754139.db2.gz YXSVUTJPJPIRGT-UHFFFAOYSA-N 0 0 329.403 3.802 10 0 EHAERN COc1cc(/C=C/C(=O)Nc2cccc(-c3ncon3)c2)ccc1F ZINC000179215214 1031759772 /nfs/dbraw/zinc/75/97/72/1031759772.db2.gz QBNUCXONGKSGJO-SOFGYWHQSA-N 0 0 339.326 3.536 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3nc4cc(Cl)ccc4n3C)CCO2)o1 ZINC000179505982 1031781546 /nfs/dbraw/zinc/78/15/46/1031781546.db2.gz JEDLZAFXWGWODK-KRWDZBQOSA-N 0 0 345.830 3.702 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000117646877 1031786893 /nfs/dbraw/zinc/78/68/93/1031786893.db2.gz WCDGRGBUPHKAHA-YJYMSZOUSA-N 0 0 340.398 3.929 10 0 EHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC1CCOCC1 ZINC000179608243 1031792978 /nfs/dbraw/zinc/79/29/78/1031792978.db2.gz YOVYHOZOFMBZMZ-UHFFFAOYSA-N 0 0 326.444 3.571 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc([S@](C)=O)cc1 ZINC000179809313 1031809048 /nfs/dbraw/zinc/80/90/48/1031809048.db2.gz PNQPGBSZPDTDGQ-RZFZLAGVSA-N 0 0 342.464 3.872 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(N(C)C)c3C)CCO2)o1 ZINC000180153085 1031860764 /nfs/dbraw/zinc/86/07/64/1031860764.db2.gz VLTOGQVGOVVGFA-SFHVURJKSA-N 0 0 343.427 3.568 10 0 EHAERN COc1cc(CN[C@@H](c2ccco2)c2ccccc2OC)ccc1O ZINC000180176355 1031864087 /nfs/dbraw/zinc/86/40/87/1031864087.db2.gz ZXQCWEAPJDYLPT-HXUWFJFHSA-N 0 0 339.391 3.882 10 0 EHAERN CC(C)n1nccc1NC(=O)[C@H](C)N1CC=C(c2cccs2)CC1 ZINC000117895304 1031920381 /nfs/dbraw/zinc/92/03/81/1031920381.db2.gz IXXRLCLQLHMKCN-AWEZNQCLSA-N 0 0 344.484 3.642 10 0 EHAERN CC(C)C[C@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000158779563 1033334649 /nfs/dbraw/zinc/33/46/49/1033334649.db2.gz RZHLCUDGSCBAIB-HZPDHXFCSA-N 0 0 347.507 3.704 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2CC)C1 ZINC000152324674 1033905237 /nfs/dbraw/zinc/90/52/37/1033905237.db2.gz IPAJOYVNIYDCTO-BBWFWOEESA-N 0 0 332.492 3.761 10 0 EHAERN O=C(NCc1cscn1)NCc1ccc(Oc2ccccc2)cc1 ZINC000102013101 1034373213 /nfs/dbraw/zinc/37/32/13/1034373213.db2.gz SYOITFREGPNEMH-UHFFFAOYSA-N 0 0 339.420 3.935 10 0 EHAERN Cc1nnc([C@@H]2CC23CCN(c2ncc(Cl)cc2Cl)CC3)o1 ZINC000376220560 1035449948 /nfs/dbraw/zinc/44/99/48/1035449948.db2.gz RCXFVMLMJURDRO-NSHDSACASA-N 0 0 339.226 3.854 10 0 EHAERN O=C(Nc1ccc(Cl)cc1OC(F)F)[C@@H]1CCCn2ccnc21 ZINC000186021894 1035567834 /nfs/dbraw/zinc/56/78/34/1035567834.db2.gz RWRLLILXTJOXKY-SNVBAGLBSA-N 0 0 341.745 3.654 10 0 EHAERN O=C(/C=C/c1cc2ccccc2o1)N1CCCN(c2ccccn2)CC1 ZINC000186411684 1035630394 /nfs/dbraw/zinc/63/03/94/1035630394.db2.gz QGPWBSITGHRSJO-MDZDMXLPSA-N 0 0 347.418 3.580 10 0 EHAERN CCC[C@@H]1CCCCN1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000186427934 1035632029 /nfs/dbraw/zinc/63/20/29/1035632029.db2.gz UDDGLKGPDWAHQR-CABCVRRESA-N 0 0 333.480 3.601 10 0 EHAERN COc1ccccc1C[C@@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186529691 1035655170 /nfs/dbraw/zinc/65/51/70/1035655170.db2.gz CVBXTPFRSIVPQK-CYBMUJFWSA-N 0 0 325.412 3.716 10 0 EHAERN CN1Cc2cc(NC(=O)N3CCC4(C3)CCCCC4)ccc2NC1=O ZINC000186658629 1035678449 /nfs/dbraw/zinc/67/84/49/1035678449.db2.gz SLEKPELKPRRDBE-UHFFFAOYSA-N 0 0 342.443 3.852 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000186855760 1035731177 /nfs/dbraw/zinc/73/11/77/1035731177.db2.gz HMRFBGGZOICQKK-LLVKDONJSA-N 0 0 334.397 3.805 10 0 EHAERN CC(C)(C)c1cnc(CCC(=O)N2CCC[C@H](c3nccs3)C2)o1 ZINC000187095836 1035774598 /nfs/dbraw/zinc/77/45/98/1035774598.db2.gz OKATUYHOKQKLEV-ZDUSSCGKSA-N 0 0 347.484 3.767 10 0 EHAERN COc1cnccc1[C@H](C)NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000187203815 1035785394 /nfs/dbraw/zinc/78/53/94/1035785394.db2.gz NTDTWWXJLYMPKB-HNNXBMFYSA-N 0 0 337.423 3.650 10 0 EHAERN Cc1ccc2c(c1)SCCCN2C(=O)c1nc(C)c(C)nc1C ZINC000187231364 1035798810 /nfs/dbraw/zinc/79/88/10/1035798810.db2.gz RXYQXYYVBNSYEH-UHFFFAOYSA-N 0 0 327.453 3.853 10 0 EHAERN CCOc1ccc(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1C ZINC000187607121 1035848734 /nfs/dbraw/zinc/84/87/34/1035848734.db2.gz CHCLIGJRSZOMCP-LKUPDRCFSA-N 0 0 339.439 3.536 10 0 EHAERN Cc1nn(C)cc1N[C@@H]1CCCOc2ccc(Br)cc21 ZINC000187777668 1035858261 /nfs/dbraw/zinc/85/82/61/1035858261.db2.gz SAAFZWDIEXBFGI-CYBMUJFWSA-N 0 0 336.233 3.817 10 0 EHAERN Cc1coc(-c2cc(NC(=O)c3ccc4c(c3)NC(=O)C4)ccc2C)n1 ZINC000188676407 1035969271 /nfs/dbraw/zinc/96/92/71/1035969271.db2.gz WTHUBNJUCHGSEI-UHFFFAOYSA-N 0 0 347.374 3.705 10 0 EHAERN Cc1nnc([C@H](NC(=O)Nc2ccsc2Cl)c2ccccc2)[nH]1 ZINC000189374852 1036061473 /nfs/dbraw/zinc/06/14/73/1036061473.db2.gz ZCQUZIBNGDZBTH-GFCCVEGCSA-N 0 0 347.831 3.739 10 0 EHAERN CC(=O)c1c(C)oc2ncnc(N[C@H]3CCOc4c(C)cccc43)c21 ZINC000189686723 1036117047 /nfs/dbraw/zinc/11/70/47/1036117047.db2.gz APWXFPOUZDCWRK-AWEZNQCLSA-N 0 0 337.379 3.978 10 0 EHAERN COCc1ccsc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189790413 1036128646 /nfs/dbraw/zinc/12/86/46/1036128646.db2.gz MMDWJGVFDBASND-UHFFFAOYSA-N 0 0 343.448 3.603 10 0 EHAERN O=C(c1cccc(F)c1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189857827 1036158521 /nfs/dbraw/zinc/15/85/21/1036158521.db2.gz LGVTYNPULCLEED-UHFFFAOYSA-N 0 0 329.346 3.673 10 0 EHAERN Cc1csc([C@H]2COCCN2C(=O)NC2CCCCCCC2)n1 ZINC000189957670 1036167693 /nfs/dbraw/zinc/16/76/93/1036167693.db2.gz UWSWWVHJZOPOHA-OAHLLOKOSA-N 0 0 337.489 3.647 10 0 EHAERN Cc1nc(C)c(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)nc1C ZINC000190280620 1036215945 /nfs/dbraw/zinc/21/59/45/1036215945.db2.gz BKJUIAIHYXNYFG-AWEZNQCLSA-N 0 0 345.393 3.700 10 0 EHAERN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190287342 1036218361 /nfs/dbraw/zinc/21/83/61/1036218361.db2.gz AKEPMQUHOYITCB-GFCCVEGCSA-N 0 0 331.366 3.585 10 0 EHAERN CCOCc1cccc(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000102320419 1036229938 /nfs/dbraw/zinc/22/99/38/1036229938.db2.gz BWIVWXIZSBMTIM-UHFFFAOYSA-N 0 0 342.420 3.572 10 0 EHAERN O=C(CCCc1cccs1)N1CCC(Nc2nccs2)CC1 ZINC000190376060 1036232767 /nfs/dbraw/zinc/23/27/67/1036232767.db2.gz BPWIVEJCQFIZEH-UHFFFAOYSA-N 0 0 335.498 3.630 10 0 EHAERN CC[C@@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1ccncc1 ZINC000190836657 1036282405 /nfs/dbraw/zinc/28/24/05/1036282405.db2.gz LVKBQVYFZOTFIW-SJORKVTESA-N 0 0 325.412 3.664 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2cnn(C(C)C)c2C)c2ccccc2)[nH]1 ZINC000191258838 1036354828 /nfs/dbraw/zinc/35/48/28/1036354828.db2.gz IZVBDVJMHOEVHM-SCLBCKFNSA-N 0 0 338.459 3.639 10 0 EHAERN CSC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC000191636221 1036400604 /nfs/dbraw/zinc/40/06/04/1036400604.db2.gz KWYDCHFKEQNDMN-HNNXBMFYSA-N 0 0 341.480 3.678 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CC(C)(C)CC(C)=O)C2)cc1 ZINC000191863648 1036451867 /nfs/dbraw/zinc/45/18/67/1036451867.db2.gz CXVQVFHOUPRMPZ-YOEHRIQHSA-N 0 0 331.456 3.795 10 0 EHAERN Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cnn1C1CCCC1 ZINC000192699680 1036540615 /nfs/dbraw/zinc/54/06/15/1036540615.db2.gz CCAQNLLBUNJBOO-KZULUSFZSA-N 0 0 325.412 3.810 10 0 EHAERN COCc1cccc(NC(=O)NC[C@H]2CCN(C)c3ccccc32)c1 ZINC000193489645 1036688881 /nfs/dbraw/zinc/68/88/81/1036688881.db2.gz BYAYVUJLCSMZPW-MRXNPFEDSA-N 0 0 339.439 3.578 10 0 EHAERN COc1cccc(-c2nsc(NC(=O)c3cc(Cl)ccn3)n2)c1 ZINC000102910941 1036789807 /nfs/dbraw/zinc/78/98/07/1036789807.db2.gz NIAODIRTRDWIFJ-UHFFFAOYSA-N 0 0 346.799 3.514 10 0 EHAERN COc1ccc(CN(C)C(=O)c2cc(C)n(-c3ccccc3)n2)cc1C ZINC000103021809 1036801962 /nfs/dbraw/zinc/80/19/62/1036801962.db2.gz IQLJFVONNAEOJE-UHFFFAOYSA-N 0 0 349.434 3.770 10 0 EHAERN O=S1(=O)CC[C@H](Nc2ccsc2Cl)c2cc(F)ccc21 ZINC000373689348 1036859476 /nfs/dbraw/zinc/85/94/76/1036859476.db2.gz FCFTVEOPXFBIKF-JTQLQIEISA-N 0 0 331.821 3.871 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2nccs2)cc1 ZINC000106278800 1037319381 /nfs/dbraw/zinc/31/93/81/1037319381.db2.gz OPSXMFWVBMOICL-DOMZBBRYSA-N 0 0 331.441 3.759 10 0 EHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(Cl)ccn1 ZINC000101531990 1037570705 /nfs/dbraw/zinc/57/07/05/1037570705.db2.gz DGWFGSHERKFRKA-UHFFFAOYSA-N 0 0 345.761 3.502 10 0 EHAERN Cc1cnn([C@H]2CCCN(C(=O)/C=C/c3cccc4cccnc34)C2)c1 ZINC000105858728 1037603806 /nfs/dbraw/zinc/60/38/06/1037603806.db2.gz REFUAGWAITUFRR-YXBWYFRISA-N 0 0 346.434 3.617 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109096790 1037659807 /nfs/dbraw/zinc/65/98/07/1037659807.db2.gz GJMABLCOWHNTCK-KGLIPLIRSA-N 0 0 341.317 3.757 10 0 EHAERN CC(C)OCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219003 1037780297 /nfs/dbraw/zinc/78/02/97/1037780297.db2.gz MXSVESXNTWIMTM-QGZVFWFLSA-N 0 0 341.455 3.598 10 0 EHAERN CN1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccco2)c2ccccc21 ZINC000116420707 1037838566 /nfs/dbraw/zinc/83/85/66/1037838566.db2.gz QTBBLHZILMYKEG-MAUKXSAKSA-N 0 0 339.439 3.750 10 0 EHAERN COc1cc(OC)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1Cl ZINC000117570686 1037855263 /nfs/dbraw/zinc/85/52/63/1037855263.db2.gz PDLLWCLHTBUMRD-DYZYQPBXSA-N 0 0 347.798 3.860 10 0 EHAERN COc1cc(OC)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1Cl ZINC000117570680 1037855450 /nfs/dbraw/zinc/85/54/50/1037855450.db2.gz PDLLWCLHTBUMRD-BTDLBPIBSA-N 0 0 347.798 3.860 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)/C=C/C3CCCCC3)CC2)n1 ZINC000117675669 1037857246 /nfs/dbraw/zinc/85/72/46/1037857246.db2.gz XKWKIHGOVQLIAO-ZHACJKMWSA-N 0 0 327.472 3.612 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCCCOCc1ccccc1 ZINC000117637157 1037858699 /nfs/dbraw/zinc/85/86/99/1037858699.db2.gz WTWCGXVCKWZVCY-OXJNMPFZSA-N 0 0 339.435 3.664 10 0 EHAERN O=C(c1cc2ccccc2oc1=O)N1CC=C(c2cccs2)CC1 ZINC000117719704 1037861061 /nfs/dbraw/zinc/86/10/61/1037861061.db2.gz TVJNUBVAJQFDJM-UHFFFAOYSA-N 0 0 337.400 3.784 10 0 EHAERN O=C(c1cnc2ccccc2c1O)N1CC=C(c2cccs2)CC1 ZINC000117856400 1037864384 /nfs/dbraw/zinc/86/43/84/1037864384.db2.gz LMLABKCRHUUSOR-UHFFFAOYSA-N 0 0 336.416 3.519 10 0 EHAERN Cc1nccc(-c2cccc(NC(=O)C[C@@H](O)c3ccccc3)c2)n1 ZINC000179671240 1037885925 /nfs/dbraw/zinc/88/59/25/1037885925.db2.gz PIYKMOTXHLOGHH-LJQANCHMSA-N 0 0 333.391 3.514 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000120709005 1037945170 /nfs/dbraw/zinc/94/51/70/1037945170.db2.gz RNDKMFZBAYFJLK-GPZRYRNASA-N 0 0 343.448 3.760 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCCC[C@H]1CC(C)C)CCC2 ZINC000332675382 1037950992 /nfs/dbraw/zinc/95/09/92/1037950992.db2.gz BFUCWCOANYZBLA-SJORKVTESA-N 0 0 332.492 3.679 10 0 EHAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000332790986 1037953845 /nfs/dbraw/zinc/95/38/45/1037953845.db2.gz KNEGPYMDJKSZGJ-YYIAUSFCSA-N 0 0 347.503 3.609 10 0 EHAERN CC[C@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)c1nccs1 ZINC000123502181 1038029350 /nfs/dbraw/zinc/02/93/50/1038029350.db2.gz ARUWXRAEDUBUFJ-HIFRSBDPSA-N 0 0 344.484 3.517 10 0 EHAERN CC(C)(C)[C@@H](NC(=O)N1CC[C@@]2(CCOC2)C1)c1cccc(F)c1 ZINC000123935407 1038107401 /nfs/dbraw/zinc/10/74/01/1038107401.db2.gz JPJGSAXLLJHVPH-QFBILLFUSA-N 0 0 334.435 3.735 10 0 EHAERN C[C@@H](Sc1ccccc1Cl)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104913718 1038120304 /nfs/dbraw/zinc/12/03/04/1038120304.db2.gz ZKYNRONCCZMORY-HIFRSBDPSA-N 0 0 349.883 3.540 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N[C@H]3CCO[C@H]3C)cc2s1 ZINC000408401150 1039050827 /nfs/dbraw/zinc/05/08/27/1039050827.db2.gz ACZOGTPJVZXMPK-XVKPBYJWSA-N 0 0 325.821 3.557 10 0 EHAERN CC(=O)NC1(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CCCCC1 ZINC000125052204 1039132486 /nfs/dbraw/zinc/13/24/86/1039132486.db2.gz BXBVCNALEIIKIO-RDTXWAMCSA-N 0 0 328.456 3.580 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000188841944 1040091172 /nfs/dbraw/zinc/09/11/72/1040091172.db2.gz SQCBOOOLENANDE-DNVCBOLYSA-N 0 0 339.435 3.697 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N2CCCC[C@H]2c2nccs2)cs1 ZINC000332933959 1040208153 /nfs/dbraw/zinc/20/81/53/1040208153.db2.gz BZFVJMFIHOCIGE-MFKMUULPSA-N 0 0 336.486 3.906 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@@H](c2ccco2)C1 ZINC000245651701 1040256321 /nfs/dbraw/zinc/25/63/21/1040256321.db2.gz BYNFGFRIKCXXDV-AEKWLRTRSA-N 0 0 332.444 3.576 10 0 EHAERN CC(C)[C@H](NC(=O)N1CCCCC(C)(C)C1)c1nnc2ccccn21 ZINC000408442485 1040762608 /nfs/dbraw/zinc/76/26/08/1040762608.db2.gz KQPAMQFPNJKLAM-INIZCTEOSA-N 0 0 343.475 3.648 10 0 EHAERN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000333035460 1041082603 /nfs/dbraw/zinc/08/26/03/1041082603.db2.gz BHLIHAAVEDMHGY-CZUORRHYSA-N 0 0 344.846 3.662 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1cc(C)cc(C)c1 ZINC000330248900 1042404642 /nfs/dbraw/zinc/40/46/42/1042404642.db2.gz MKEYSZCLOIAXGT-SJLPKXTDSA-N 0 0 338.455 3.626 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(C)(CO)CC1 ZINC000184894227 1042622785 /nfs/dbraw/zinc/62/27/85/1042622785.db2.gz GBKJYTMOOYOKBF-QGZVFWFLSA-N 0 0 330.472 3.504 10 0 EHAERN Cc1ccccc1[C@@H](C)CC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162613185 1042743051 /nfs/dbraw/zinc/74/30/51/1042743051.db2.gz OUJRWRPUQKGLSH-KRWDZBQOSA-N 0 0 339.483 3.703 10 0 EHAERN CCOc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162641355 1042744790 /nfs/dbraw/zinc/74/47/90/1042744790.db2.gz QQBWRGWKWMAWEQ-LIRRHRJNSA-N 0 0 336.439 3.952 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1ccc(Cl)o1)CCCC2 ZINC000279096721 1043346306 /nfs/dbraw/zinc/34/63/06/1043346306.db2.gz ABANECHXHWQBNX-CYBMUJFWSA-N 0 0 333.819 3.523 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C)s1 ZINC000268817649 1128702102 /nfs/dbraw/zinc/70/21/02/1128702102.db2.gz FXUAOYXMMMZAJJ-JCKWVBRZSA-N 0 0 336.501 3.763 10 0 EHAERN COc1ccc(-c2noc(CCCC(=O)OCC(C)(C)C)n2)cc1 ZINC000103700886 1131785379 /nfs/dbraw/zinc/78/53/79/1131785379.db2.gz PADCFCXFHQSORG-UHFFFAOYSA-N 0 0 332.400 3.657 10 0 EHAERN CN(CCC1CCCCC1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000101539060 1135349198 /nfs/dbraw/zinc/34/91/98/1135349198.db2.gz NJFROLPKMIGXBB-UHFFFAOYSA-N 0 0 343.446 3.909 10 0 EHAERN Cc1cc(C(=O)Nc2cccc(C(F)(F)F)n2)nn1-c1ccccc1 ZINC000101823760 1135399871 /nfs/dbraw/zinc/39/98/71/1135399871.db2.gz JPKXAWRSRCBJTI-UHFFFAOYSA-N 0 0 346.312 3.847 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CC3CCCC3)C2)o1 ZINC000102142110 1135464974 /nfs/dbraw/zinc/46/49/74/1135464974.db2.gz HVKHIBDYBONHSJ-MRXNPFEDSA-N 0 0 333.428 3.564 10 0 EHAERN O=C(CCc1ccccn1)Oc1cccc(OCC(F)(F)F)c1 ZINC000105378842 1135945068 /nfs/dbraw/zinc/94/50/68/1135945068.db2.gz JLHKQPFWTBFROV-UHFFFAOYSA-N 0 0 325.286 3.561 10 0 EHAERN CCC[C@@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 ZINC000105765469 1135975325 /nfs/dbraw/zinc/97/53/25/1135975325.db2.gz CGTSOWKALVYBHM-ZWKOTPCHSA-N 0 0 329.440 3.720 10 0 EHAERN CC[C@H](COC(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000105774315 1135975840 /nfs/dbraw/zinc/97/58/40/1135975840.db2.gz BMOMBUYOXMJVTP-OAHLLOKOSA-N 0 0 325.408 3.739 10 0 EHAERN O=C(CSc1ccncc1)OCCc1ccccc1C(F)(F)F ZINC000105776496 1135976270 /nfs/dbraw/zinc/97/62/70/1135976270.db2.gz NYCRTGCPBSHGSP-UHFFFAOYSA-N 0 0 341.354 3.978 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)Nc2ccncc2)CC1 ZINC000102436889 1137873197 /nfs/dbraw/zinc/87/31/97/1137873197.db2.gz ZXNOLCAORGQKJF-UHFFFAOYSA-N 0 0 325.412 3.577 10 0 EHAERN COc1ccc(OC)c([C@H](C)NCc2nc(-c3ccccc3)no2)c1 ZINC000102695953 1137873809 /nfs/dbraw/zinc/87/38/09/1137873809.db2.gz QCRVPRNBFIPTHS-ZDUSSCGKSA-N 0 0 339.395 3.605 10 0 EHAERN COc1ccc(CN(C)C(=O)c2coc(Br)c2)cc1C ZINC000103022169 1137874979 /nfs/dbraw/zinc/87/49/79/1137874979.db2.gz QBEWSFNCZAGMQS-UHFFFAOYSA-N 0 0 338.201 3.631 10 0 EHAERN O=C(Nc1cccc(C2SCCS2)c1)N[C@H]1CCCC[C@H]1O ZINC000103288664 1137875842 /nfs/dbraw/zinc/87/58/42/1137875842.db2.gz CWRWNMCRSRBDLB-UONOGXRCSA-N 0 0 338.498 3.590 10 0 EHAERN CN(C[C@H]1CCCO1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000105054430 1137880021 /nfs/dbraw/zinc/88/00/21/1137880021.db2.gz JENJOTIJVCIXPD-GOSISDBHSA-N 0 0 338.407 3.560 10 0 EHAERN O=C(NCCCNc1ccccn1)N(Cc1ccco1)C1CCCC1 ZINC000105142856 1137880294 /nfs/dbraw/zinc/88/02/94/1137880294.db2.gz BBTHJKNBQHGPTQ-UHFFFAOYSA-N 0 0 342.443 3.631 10 0 EHAERN Cc1cc(CS[C@H](C(=O)N2CCCCC2)c2ccccc2)no1 ZINC000105626320 1137881360 /nfs/dbraw/zinc/88/13/60/1137881360.db2.gz OSMYQNHLNVTNJC-KRWDZBQOSA-N 0 0 330.453 3.970 10 0 EHAERN O=C(Nc1cccc(NC(=O)N2CC3(CC3)C2)c1)C1CCCCC1 ZINC000333258917 1138271670 /nfs/dbraw/zinc/27/16/70/1138271670.db2.gz UHCXZDWDMVSTGJ-UHFFFAOYSA-N 0 0 327.428 3.833 10 0 EHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@@H]2CCC[C@@H]21 ZINC000333316676 1138276346 /nfs/dbraw/zinc/27/63/46/1138276346.db2.gz KIBYMHNNABMXGJ-GWCFXTLKSA-N 0 0 333.338 3.852 10 0 EHAERN Cc1c(N[C@H]2COC(C)(C)C2)cccc1-c1nnc2n1CCCCC2 ZINC000333374727 1138282729 /nfs/dbraw/zinc/28/27/29/1138282729.db2.gz MYUUCVKBGJAIQV-OAHLLOKOSA-N 0 0 340.471 3.959 10 0 EHAERN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333993572 1138358968 /nfs/dbraw/zinc/35/89/68/1138358968.db2.gz LXGYMFVPOISJPX-HRCADAONSA-N 0 0 334.419 3.554 10 0 EHAERN Cn1nccc1C1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000334065814 1138367000 /nfs/dbraw/zinc/36/70/00/1138367000.db2.gz CZVFSFPFFLRUIE-ROUUACIJSA-N 0 0 344.503 3.526 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c(OC)c1 ZINC000188358350 1140294013 /nfs/dbraw/zinc/29/40/13/1140294013.db2.gz SDDISPXCGDSCSU-HNNXBMFYSA-N 0 0 347.440 3.838 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc1F ZINC000188589167 1140301720 /nfs/dbraw/zinc/30/17/20/1140301720.db2.gz JVGCNGKLQJKPPP-AWEZNQCLSA-N 0 0 335.404 3.968 10 0 EHAERN NNc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1 ZINC000051096408 214079168 /nfs/dbraw/zinc/07/91/68/214079168.db2.gz BHRJCBNEKAAMBG-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN FC(F)(F)CN(CCNc1ccccc1Br)C1CC1 ZINC000053390172 214180429 /nfs/dbraw/zinc/18/04/29/214180429.db2.gz JYEDZPFRDWAQAP-UHFFFAOYSA-N 0 0 337.183 3.888 10 0 EHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cc2ccccc2c(=O)[nH]1 ZINC000056350964 214371535 /nfs/dbraw/zinc/37/15/35/214371535.db2.gz GVXWZNOJZDCUOY-MRXNPFEDSA-N 0 0 338.794 3.599 10 0 EHAERN COC(=O)c1nc(C)cc(Br)c1OCc1ccccc1 ZINC000098177568 219086540 /nfs/dbraw/zinc/08/65/40/219086540.db2.gz LVGHDUWLRJIZCK-UHFFFAOYSA-N 0 0 336.185 3.518 10 0 EHAERN O=C(OCc1snc(Cl)c1Cl)c1cnc(Cl)s1 ZINC000098180632 219086545 /nfs/dbraw/zinc/08/65/45/219086545.db2.gz TUPUDNBKXYPRGN-UHFFFAOYSA-N 0 0 329.617 3.917 10 0 EHAERN O=C1Cc2ccccc2C(=O)N1Cc1cnc(-c2ccccc2)s1 ZINC000098178534 219086558 /nfs/dbraw/zinc/08/65/58/219086558.db2.gz LTJMVNHCRKLNPQ-UHFFFAOYSA-N 0 0 334.400 3.535 10 0 EHAERN CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)c(C)o2)cc1 ZINC000003913611 210094341 /nfs/dbraw/zinc/09/43/41/210094341.db2.gz NKSHZWHMKGRDEP-INIZCTEOSA-N 0 0 328.412 3.509 10 0 EHAERN CN(C)c1ccc2c(ncnc2Nc2cccc(Br)c2)n1 ZINC000003815328 210077200 /nfs/dbraw/zinc/07/72/00/210077200.db2.gz CYDSVLVEOYKRBO-UHFFFAOYSA-N 0 0 344.216 3.597 10 0 EHAERN CCCC(=O)N(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000040966338 213404745 /nfs/dbraw/zinc/40/47/45/213404745.db2.gz YMJGFYCREQPZCK-UHFFFAOYSA-N 0 0 331.437 3.825 10 0 EHAERN Cc1cc(N)c(NC(=O)c2sccc2Br)cc1C ZINC000104296476 219371912 /nfs/dbraw/zinc/37/19/12/219371912.db2.gz MVXPZVKOWZIHJL-UHFFFAOYSA-N 0 0 325.231 3.962 10 0 EHAERN Nc1c(NCc2ccc(F)cc2)ncnc1NC1CCCCCC1 ZINC000040800027 213388470 /nfs/dbraw/zinc/38/84/70/213388470.db2.gz PVTTZKSWQCQHDL-UHFFFAOYSA-N 0 0 329.423 3.945 10 0 EHAERN Cc1ccc2nc(Nc3ncnc(Nc4ccccn4)c3N)sc2c1 ZINC000040778994 213386136 /nfs/dbraw/zinc/38/61/36/213386136.db2.gz IVBHMXMBXCPCHG-UHFFFAOYSA-N 0 0 349.423 3.859 10 0 EHAERN Cc1ccc2c(cccc2Nc2ncnc(Nc3ccccn3)c2N)n1 ZINC000040779287 213385941 /nfs/dbraw/zinc/38/59/41/213385941.db2.gz YKSHEOROOUKERA-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN COCCCNc1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040757133 213383403 /nfs/dbraw/zinc/38/34/03/213383403.db2.gz MBQYSSXLUQWOFB-UHFFFAOYSA-N 0 0 342.230 3.558 10 0 EHAERN COc1ccc(Cl)cc1Nc1ncnc(N2CCCCCC2)c1N ZINC000040702273 213371519 /nfs/dbraw/zinc/37/15/19/213371519.db2.gz AUCTWPRXRRPPHU-UHFFFAOYSA-N 0 0 347.850 3.845 10 0 EHAERN Cc1cc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)no1 ZINC000040680828 213367530 /nfs/dbraw/zinc/36/75/30/213367530.db2.gz DAPLVNIMRWCJCI-UHFFFAOYSA-N 0 0 330.779 3.804 10 0 EHAERN CCN(c1cccc(C)c1)c1ncnc(Nc2cc(C)ccn2)c1N ZINC000040661707 213365066 /nfs/dbraw/zinc/36/50/66/213365066.db2.gz MKZGRZLZHGDRGC-UHFFFAOYSA-N 0 0 334.427 3.972 10 0 EHAERN CC(C)c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000040295674 213289967 /nfs/dbraw/zinc/28/99/67/213289967.db2.gz ALQBZLCSYJGJML-UHFFFAOYSA-N 0 0 337.379 3.527 10 0 EHAERN CCCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21 ZINC000040277849 213287335 /nfs/dbraw/zinc/28/73/35/213287335.db2.gz ZWBJJEYJQXPOJE-UHFFFAOYSA-N 0 0 325.387 3.906 10 0 EHAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCC2)c(C)c1 ZINC000040210816 213281607 /nfs/dbraw/zinc/28/16/07/213281607.db2.gz JMSFZJXDBDISSO-UHFFFAOYSA-N 0 0 333.435 3.943 10 0 EHAERN CCOC(=O)[C@@H](N[C@@H](C)CC)c1ccc(F)c(Br)c1 ZINC000038067597 213199901 /nfs/dbraw/zinc/19/99/01/213199901.db2.gz YJWPLCMECCBGGQ-ZANVPECISA-N 0 0 332.213 3.581 10 0 EHAERN CC[C@@H](C)N[C@](CC)(C(=O)OC)c1ccc(Br)cc1 ZINC000038066680 213199251 /nfs/dbraw/zinc/19/92/51/213199251.db2.gz YWFLFMOEGCZBFQ-ABAIWWIYSA-N 0 0 328.250 3.616 10 0 EHAERN Nc1ccc(Cl)c(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000038033796 213194724 /nfs/dbraw/zinc/19/47/24/213194724.db2.gz BKKOTMMMLUNHBX-BQYQJAHWSA-N 0 0 343.235 3.988 10 0 EHAERN Nc1cc(C(=O)NCc2ccc(Br)s2)ccc1Cl ZINC000038018800 213191722 /nfs/dbraw/zinc/19/17/22/213191722.db2.gz WBXMUDKLCGXGDM-UHFFFAOYSA-N 0 0 345.649 3.676 10 0 EHAERN NC(=O)[C@H](Nc1cccc(Cl)c1)c1ccccc1Br ZINC000037942588 213175184 /nfs/dbraw/zinc/17/51/84/213175184.db2.gz QFAFRCUBPCNEAB-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN C[C@@](Nc1ccccc1Br)(C(N)=O)C1CCCCC1 ZINC000037944158 213174883 /nfs/dbraw/zinc/17/48/83/213174883.db2.gz DXGPYHQPEGBQNQ-HNNXBMFYSA-N 0 0 325.250 3.685 10 0 EHAERN CN(Cc1ccc(Br)cc1)C(=O)c1ccc2c(c1)CCN2 ZINC000037798608 213168322 /nfs/dbraw/zinc/16/83/22/213168322.db2.gz ZSUHVKJHUYKKTE-UHFFFAOYSA-N 0 0 345.240 3.689 10 0 EHAERN CCN(Cc1ccc(Br)s1)C(=O)c1ccc(N)cc1 ZINC000037800501 213168361 /nfs/dbraw/zinc/16/83/61/213168361.db2.gz JLMVKSKGSHSMJW-UHFFFAOYSA-N 0 0 339.258 3.755 10 0 EHAERN COC(=O)[C@@H](C)CNc1ccc(Br)cc1C(F)(F)F ZINC000037518924 213153078 /nfs/dbraw/zinc/15/30/78/213153078.db2.gz XWIJFCDBAYLGEH-ZETCQYMHSA-N 0 0 340.139 3.689 10 0 EHAERN C[C@H](Nc1ccc(CC(N)=O)cc1)c1sccc1Br ZINC000037303751 213139492 /nfs/dbraw/zinc/13/94/92/213139492.db2.gz INJZHFITHGMKDR-VIFPVBQESA-N 0 0 339.258 3.712 10 0 EHAERN Nc1ccc(NC(=O)CSc2cccs2)c(Br)c1 ZINC000037285832 213137996 /nfs/dbraw/zinc/13/79/96/213137996.db2.gz SBGZCQLANRXBSY-UHFFFAOYSA-N 0 0 343.271 3.824 10 0 EHAERN Ic1ccccc1NC1Cc2ccccc2C1 ZINC000035658112 213044155 /nfs/dbraw/zinc/04/41/55/213044155.db2.gz JYWFWVAEXNKELO-UHFFFAOYSA-N 0 0 335.188 3.871 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)[C@H](O)C1 ZINC000035571602 213039305 /nfs/dbraw/zinc/03/93/05/213039305.db2.gz MDKOHRRCHDLIDT-ZIAGYGMSSA-N 0 0 345.361 3.791 10 0 EHAERN Cc1cc(=O)n(CCC(=O)Nc2ccccc2Cl)c2ccccc12 ZINC000032526347 212808312 /nfs/dbraw/zinc/80/83/12/212808312.db2.gz QVQCFKFSVISVJK-UHFFFAOYSA-N 0 0 340.810 3.992 10 0 EHAERN O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccco1 ZINC000000260959 209508713 /nfs/dbraw/zinc/50/87/13/209508713.db2.gz YNSQCSQOXSIAKX-UHFFFAOYSA-N 0 0 332.315 3.700 10 0 EHAERN CC[C@@H](C)NC(=O)c1cc(=O)n(Cc2cccc(C)c2)c2ccccc12 ZINC000000217631 209490662 /nfs/dbraw/zinc/49/06/62/209490662.db2.gz DWUHSLBRBKTTKY-MRXNPFEDSA-N 0 0 348.446 3.887 10 0 EHAERN CCCn1cc(NCc2cc(Br)cs2)ccc1=O ZINC000037774825 213166024 /nfs/dbraw/zinc/16/60/24/213166024.db2.gz KNJOPFJFJWEHMD-UHFFFAOYSA-N 0 0 327.247 3.694 10 0 EHAERN CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(C)cc3)[nH]c2=O)c1 ZINC000072451070 216239579 /nfs/dbraw/zinc/23/95/79/216239579.db2.gz CQXRHZUVEGXKOU-UHFFFAOYSA-N 0 0 346.386 3.805 10 0 EHAERN Cc1ccc(C)c(NC(=O)c2cnc(N3CCC(C)CC3)nc2C)c1 ZINC000072465028 216246495 /nfs/dbraw/zinc/24/64/95/216246495.db2.gz OWJLZVORYXCTLU-UHFFFAOYSA-N 0 0 338.455 3.890 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CNc2cccnc2Cl)CC1 ZINC000073734781 216419118 /nfs/dbraw/zinc/41/91/18/216419118.db2.gz ZMAPVJDGFADFDQ-UHFFFAOYSA-N 0 0 325.840 3.794 10 0 EHAERN CC[C@H](C(=S)NCc1ccccc1)N(Cc1ccccc1)C(C)=O ZINC000022130342 212277897 /nfs/dbraw/zinc/27/78/97/212277897.db2.gz XBCCMKKHEYEGRD-LJQANCHMSA-N 0 0 340.492 3.931 10 0 EHAERN CSc1ccc(CNc2cc(-n3nc(C)cc3C)ncn2)cc1 ZINC000021713554 212241863 /nfs/dbraw/zinc/24/18/63/212241863.db2.gz BOGBGROYZOMZDC-UHFFFAOYSA-N 0 0 325.441 3.613 10 0 EHAERN Cc1ccc(CNC(=O)NCCc2csc3c2CCCC3)cc1 ZINC000021088209 212204150 /nfs/dbraw/zinc/20/41/50/212204150.db2.gz SKDPUTIVIIAMOS-UHFFFAOYSA-N 0 0 328.481 3.977 10 0 EHAERN O=C(NC1CC1)c1cc(Br)ccc1NCc1ccccc1 ZINC000255187985 244045891 /nfs/dbraw/zinc/04/58/91/244045891.db2.gz IDKRWBKUHAWHHY-UHFFFAOYSA-N 0 0 345.240 3.953 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)NC3CCCCCCC3)CC2=O)c1 ZINC000020374015 212123321 /nfs/dbraw/zinc/12/33/21/212123321.db2.gz VIXPVJYNFKFAMX-KRWDZBQOSA-N 0 0 342.483 3.885 10 0 EHAERN O=C(CNc1ccc(F)c(F)c1)Nc1cccc(Br)c1 ZINC000020050368 212097670 /nfs/dbraw/zinc/09/76/70/212097670.db2.gz PHAZVCJMNQHIJV-UHFFFAOYSA-N 0 0 341.155 3.778 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1Br ZINC000019966477 212090155 /nfs/dbraw/zinc/09/01/55/212090155.db2.gz JGUNKXPYPPFINP-SECBINFHSA-N 0 0 345.196 3.506 10 0 EHAERN Nc1cc(NC(=O)c2cccc(Br)c2)ccc1Cl ZINC000019488438 212032555 /nfs/dbraw/zinc/03/25/55/212032555.db2.gz GSDRMVAEJMBUMJ-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN COc1ccc(Br)c(C(=O)Nc2c(C)ccc(N)c2C)c1 ZINC000019487628 212032131 /nfs/dbraw/zinc/03/21/31/212032131.db2.gz TYVBMYMMIJDFSE-UHFFFAOYSA-N 0 0 349.228 3.909 10 0 EHAERN CC[C@]1(c2ccccc2)NC(=O)N(c2ccc(Br)cc2)N1 ZINC000015867904 211866035 /nfs/dbraw/zinc/86/60/35/211866035.db2.gz GVWIJHXLXXHMOV-INIZCTEOSA-N 0 0 346.228 3.746 10 0 EHAERN CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)NCCO ZINC000013475541 211564349 /nfs/dbraw/zinc/56/43/49/211564349.db2.gz GBQSRUAXKWJYGA-RKMLUMNZSA-N 0 0 339.520 3.879 10 0 EHAERN CC(C)(C)Nc1c([C@H]2CCCN(C(=O)C3CC3)C2)nc2ccccn21 ZINC000012129382 211301580 /nfs/dbraw/zinc/30/15/80/211301580.db2.gz ASBCSXKXCQTXQA-HNNXBMFYSA-N 0 0 340.471 3.661 10 0 EHAERN Cc1cccc(OC[C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)c1 ZINC000011874849 211262426 /nfs/dbraw/zinc/26/24/26/211262426.db2.gz ANDZPQWJOWTPMK-OAHLLOKOSA-N 0 0 327.428 3.546 10 0 EHAERN COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(N)c32)cc1 ZINC000009694655 211116841 /nfs/dbraw/zinc/11/68/41/211116841.db2.gz UUOLSCXCDDQQDH-UHFFFAOYSA-N 0 0 328.375 3.950 10 0 EHAERN COc1ccc(OC)c(-c2cc(-c3ccco3)c3c(N)ncnc3n2)c1 ZINC000009694638 211116936 /nfs/dbraw/zinc/11/69/36/211116936.db2.gz VNJUHQGKKSJOCT-UHFFFAOYSA-N 0 0 348.362 3.551 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](CNc2nc3ccccc3s2)C1 ZINC000095083933 218275655 /nfs/dbraw/zinc/27/56/55/218275655.db2.gz VZPCIETVYUFNIF-LBPRGKRZSA-N 0 0 333.457 3.965 10 0 EHAERN O[C@H]1CCCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)C1 ZINC000095078245 218273623 /nfs/dbraw/zinc/27/36/23/218273623.db2.gz DATDHHPEBNQWLS-INIZCTEOSA-N 0 0 341.842 3.699 10 0 EHAERN C[C@@H](c1nccs1)N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088722 218277923 /nfs/dbraw/zinc/27/79/23/218277923.db2.gz QJWGMTIHIBGCAK-QWHCGFSZSA-N 0 0 325.478 3.535 10 0 EHAERN FC(F)(F)c1c(I)cccc1OC1CC1 ZINC000095733822 218447003 /nfs/dbraw/zinc/44/70/03/218447003.db2.gz PVFGGIBEMBXLES-UHFFFAOYSA-N 0 0 328.071 3.851 10 0 EHAERN COc1cccc(C(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000007651539 210825845 /nfs/dbraw/zinc/82/58/45/210825845.db2.gz QJESEEZCJIAANM-LLVKDONJSA-N 0 0 334.213 3.949 10 0 EHAERN O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)/C=C\c2ccco2)n1 ZINC000005932253 210560383 /nfs/dbraw/zinc/56/03/83/210560383.db2.gz YUFJMFXVUUMVCA-PNQPDEHRSA-N 0 0 349.346 3.571 10 0 EHAERN CCc1c(C(=O)Nc2ccccc2OC)cnn1Cc1ccccc1 ZINC000097294092 219010217 /nfs/dbraw/zinc/01/02/17/219010217.db2.gz SZTYSNDSNRQDTE-UHFFFAOYSA-N 0 0 335.407 3.755 10 0 EHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000097394855 219021597 /nfs/dbraw/zinc/02/15/97/219021597.db2.gz ZNNDHONJXHXTIJ-OXQOHEQNSA-N 0 0 340.467 3.979 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@@H]2OCCc3ccccc32)o1 ZINC000299739022 258010004 /nfs/dbraw/zinc/01/00/04/258010004.db2.gz JPVIKQBTHVOQIC-XHSDSOJGSA-N 0 0 328.412 3.650 10 0 EHAERN Cc1cccc2sc(Nc3ncnc(N4CCCCC4)c3N)nc21 ZINC000040724808 132406465 /nfs/dbraw/zinc/40/64/65/132406465.db2.gz RLFXOHBAMPWXEV-UHFFFAOYSA-N 0 0 340.456 3.711 10 0 EHAERN Cc1nn(C)cc1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000189730445 527694426 /nfs/dbraw/zinc/69/44/26/527694426.db2.gz DVZCAKSJYXCRQX-OAHLLOKOSA-N 0 0 340.427 3.687 10 0 EHAERN O[C@@H](c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000087493526 563974371 /nfs/dbraw/zinc/97/43/71/563974371.db2.gz YOGWLKFOBRSSKY-INIZCTEOSA-N 0 0 337.341 3.882 10 0 EHAERN CC(C)c1noc([C@@H](Nc2nc3ccccc3o2)C2CCOCC2)n1 ZINC000275340274 564008714 /nfs/dbraw/zinc/00/87/14/564008714.db2.gz KSUONLIXHLVQOH-HNNXBMFYSA-N 0 0 342.399 3.914 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc3ccccc3s2)C1 ZINC000189352033 564015174 /nfs/dbraw/zinc/01/51/74/564015174.db2.gz SPSACWJQQKGTLH-DZGCQCFKSA-N 0 0 329.425 3.555 10 0 EHAERN CCc1ccc(Nc2nn3c(nc4ccsc4c3=O)s2)cc1 ZINC000006918821 564086468 /nfs/dbraw/zinc/08/64/68/564086468.db2.gz WOOLLAYDXVRSPS-UHFFFAOYSA-N 0 0 328.422 3.672 10 0 EHAERN Cc1ccccc1Cn1ccnc1CN(CC1CC1)C(=O)C(C)C ZINC000006690798 564096063 /nfs/dbraw/zinc/09/60/63/564096063.db2.gz AGTTYNNSTMNKDE-UHFFFAOYSA-N 0 0 325.456 3.634 10 0 EHAERN CCc1noc(-c2cnc3nc(C)ccc3c2NCc2ccco2)n1 ZINC000065250628 564103465 /nfs/dbraw/zinc/10/34/65/564103465.db2.gz ANORVXFCHUDXCI-UHFFFAOYSA-N 0 0 335.367 3.756 10 0 EHAERN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC(=S)C2C#N)cc1 ZINC000048524185 564129266 /nfs/dbraw/zinc/12/92/66/564129266.db2.gz PJWBVWBWAKMHCL-INIZCTEOSA-N 0 0 340.448 3.690 10 0 EHAERN CC(C)c1cnc(CN2CCC[C@H](Nc3ccc(N)nc3)CC2)s1 ZINC000328646633 564137172 /nfs/dbraw/zinc/13/71/72/564137172.db2.gz STTVOLSSWXHSNS-AWEZNQCLSA-N 0 0 345.516 3.541 10 0 EHAERN C[C@@H](COCc1ccccc1)CC(=O)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000685961761 564177195 /nfs/dbraw/zinc/17/71/95/564177195.db2.gz ODUZXIMKLZEHQD-CVEARBPZSA-N 0 0 349.471 3.959 10 0 EHAERN C[N@H+](CCCOc1ccc(Cc2ccsc2)cc1)CCC(=O)[O-] ZINC000013475305 581097465 /nfs/dbraw/zinc/09/74/65/581097465.db2.gz WSHWIOIPTHKMJC-UHFFFAOYSA-N 0 0 333.453 3.514 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)c(Cl)n1 ZINC000182304886 1032086018 /nfs/dbraw/zinc/08/60/18/1032086018.db2.gz JAYZAYANZCQSQA-GXTWGEPZSA-N 0 0 330.815 3.646 10 0 EHAERN O=C([O-])CC[N@H+](Cc1ccc(Br)o1)Cc1ccccc1 ZINC000692496078 976513060 /nfs/dbraw/zinc/51/30/60/976513060.db2.gz PITLUXJAIAKQGJ-UHFFFAOYSA-N 0 0 338.201 3.519 10 0 EHAERN CC(C)(C)c1cnc(CCC(=O)NC2C3CC4CC(C3)CC2C4)o1 ZINC000187547258 1015297494 /nfs/dbraw/zinc/29/74/94/1015297494.db2.gz AXRCSXKYQJUBSW-UHFFFAOYSA-N 0 0 330.472 3.846 10 0 EHAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1oc2c(cccc2Cl)c1C ZINC000187655048 1015349867 /nfs/dbraw/zinc/34/98/67/1015349867.db2.gz JWULGPFJLPYAIN-QGZVFWFLSA-N 0 0 335.787 3.562 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)o1 ZINC000246204261 1015825961 /nfs/dbraw/zinc/82/59/61/1015825961.db2.gz NDCWIOBZCQSPPM-YALNPMBYSA-N 0 0 332.444 3.638 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCC[C@H](C(C)C)C1)C2 ZINC000112748905 1016044033 /nfs/dbraw/zinc/04/40/33/1016044033.db2.gz OHBNXNRDKWPQSS-HOTGVXAUSA-N 0 0 346.519 3.826 10 0 EHAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c(C)n1C1CC1 ZINC000080508510 1032139123 /nfs/dbraw/zinc/13/91/23/1032139123.db2.gz RCFOXZKUQJKQMY-ZWKOTPCHSA-N 0 0 326.444 3.550 10 0 EHAERN Cc1cc([C@@H]2CCCN(c3ncnc4sc(C)c(C)c43)C2)n[nH]1 ZINC000407978185 1016671177 /nfs/dbraw/zinc/67/11/77/1016671177.db2.gz XHSZDFJKTFABOI-CYBMUJFWSA-N 0 0 327.457 3.724 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[nH]1 ZINC000407980780 1016686927 /nfs/dbraw/zinc/68/69/27/1016686927.db2.gz OCCDUOIQXGEBPA-AGIUHOORSA-N 0 0 344.381 3.535 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183638575 1032214357 /nfs/dbraw/zinc/21/43/57/1032214357.db2.gz RPWZDVQPNCYQEV-INIZCTEOSA-N 0 0 336.399 3.559 10 0 EHAERN CC(C)(CNC(=O)[C@@H]1CCCn2ccnc21)c1cccc(Cl)c1 ZINC000080610252 1032215968 /nfs/dbraw/zinc/21/59/68/1032215968.db2.gz QMYGYTCHDGLNOZ-OAHLLOKOSA-N 0 0 331.847 3.508 10 0 EHAERN CC(C)c1noc(CN[C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459529477 1032246608 /nfs/dbraw/zinc/24/66/08/1032246608.db2.gz MAVLOFJNLFTDRH-QGZVFWFLSA-N 0 0 329.444 3.577 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccncc3F)C2)cc1 ZINC000184148200 1032258453 /nfs/dbraw/zinc/25/84/53/1032258453.db2.gz GFCWFMRUPXUEPH-OCCSQVGLSA-N 0 0 329.375 3.639 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cc(C)ccn3)C2)cc1 ZINC000184062097 1032267829 /nfs/dbraw/zinc/26/78/29/1032267829.db2.gz YXMYZZZVFXENHO-GDBMZVCRSA-N 0 0 325.412 3.809 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3F)CCO2)o1 ZINC000184569761 1032297899 /nfs/dbraw/zinc/29/78/99/1032297899.db2.gz UDJXOHFGSAQLGU-ZDUSSCGKSA-N 0 0 341.741 3.733 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)[C@H](c2ccco2)C1 ZINC000248745964 1032302195 /nfs/dbraw/zinc/30/21/95/1032302195.db2.gz FLIWUDNDKPZHEE-NYCLONFESA-N 0 0 332.444 3.720 10 0 EHAERN Cc1csc([C@@H]2CN(CCC(Cl)(Cl)Cl)CCO2)n1 ZINC000184492427 1032304922 /nfs/dbraw/zinc/30/49/22/1032304922.db2.gz BTNFNYUFIVWICA-VIFPVBQESA-N 0 0 329.680 3.585 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3scnc3C3CCCC3)CCO2)o1 ZINC000185202110 1032367179 /nfs/dbraw/zinc/36/71/79/1032367179.db2.gz HMNJCEPCGKVTGO-HNNXBMFYSA-N 0 0 346.452 3.916 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)Nc1cccc2c1OCC[C@H]2O ZINC000185356965 1032384005 /nfs/dbraw/zinc/38/40/05/1032384005.db2.gz PSPUWLQERHAZCE-QZEKMECESA-N 0 0 346.386 3.703 10 0 EHAERN CC[C@H](CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185505936 1032437157 /nfs/dbraw/zinc/43/71/57/1032437157.db2.gz NATWJZSGXFGJHZ-DNVCBOLYSA-N 0 0 348.462 3.808 10 0 EHAERN C[C@@H](OC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)c(F)c1 ZINC000118950799 1032476028 /nfs/dbraw/zinc/47/60/28/1032476028.db2.gz SVEWVELZTPTCEG-MFKMUULPSA-N 0 0 331.318 3.695 10 0 EHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000176417011 1017369482 /nfs/dbraw/zinc/36/94/82/1017369482.db2.gz KCGLAJGKWZKATG-XIRDDKMYSA-N 0 0 332.492 3.580 10 0 EHAERN Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247065524 1017445050 /nfs/dbraw/zinc/44/50/50/1017445050.db2.gz PVIAGGYPJUTKPW-XKGZKEIXSA-N 0 0 330.472 3.701 10 0 EHAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CC2(CC2)c2ccccc21 ZINC000080740963 1018220315 /nfs/dbraw/zinc/22/03/15/1018220315.db2.gz IPYLSKWNAOLBLR-WMZOPIPTSA-N 0 0 336.439 3.628 10 0 EHAERN CCn1ncc2ccc(NC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc21 ZINC000333225854 1018910541 /nfs/dbraw/zinc/91/05/41/1018910541.db2.gz NBPXUEKJICIOJD-WNJKXWAASA-N 0 0 338.455 3.956 10 0 EHAERN CCO[C@H]1CCN(C(=O)Nc2nc3ccsc3s2)C[C@@H]1C ZINC000333252459 1018959354 /nfs/dbraw/zinc/95/93/54/1018959354.db2.gz SDTGIBQXNSHGPE-ONGXEEELSA-N 0 0 325.459 3.637 10 0 EHAERN O=C(/C=C\c1ccncn1)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000588405891 1020641699 /nfs/dbraw/zinc/64/16/99/1020641699.db2.gz MXNNUWIPCZWMIN-KHPPLWFESA-N 0 0 341.414 3.690 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)C(C)(C)c1ccccc1 ZINC000246546375 1021454663 /nfs/dbraw/zinc/45/46/63/1021454663.db2.gz AVUWFLAKJCHNTC-MDKPJZGXSA-N 0 0 344.499 3.689 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@H]2CCCc3occc32)C[C@H](c2ccsc2)O1 ZINC000246561886 1021546254 /nfs/dbraw/zinc/54/62/54/1021546254.db2.gz RHWADPRMZXPALX-ISTRZQFTSA-N 0 0 346.452 3.890 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)cs1 ZINC000188024245 1021585592 /nfs/dbraw/zinc/58/55/92/1021585592.db2.gz JIYUNCYZJYLCEK-INIZCTEOSA-N 0 0 336.482 3.594 10 0 EHAERN CCn1c2ccc(F)cc2nc1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588426642 1021595769 /nfs/dbraw/zinc/59/57/69/1021595769.db2.gz KVADUGRYFMSDAX-UTCJRWHESA-N 0 0 344.777 3.896 10 0 EHAERN Cc1nc([C@H]2CCCCCN2C(=O)[C@@H]2CCc3ccccc32)no1 ZINC000408156404 1021674459 /nfs/dbraw/zinc/67/44/59/1021674459.db2.gz ZLMIKSKMRINYJZ-IAGOWNOFSA-N 0 0 325.412 3.552 10 0 EHAERN COc1cc(OC(=O)/C(C)=C\c2ccc(F)cc2)cc(OC)c1OC ZINC000588427801 1021762044 /nfs/dbraw/zinc/76/20/44/1021762044.db2.gz AIGXMZOMFPOIEO-XFXZXTDPSA-N 0 0 346.354 3.860 10 0 EHAERN Clc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000333814619 1022173379 /nfs/dbraw/zinc/17/33/79/1022173379.db2.gz IQTMMDWAFBHOIJ-QXSJWSMHSA-N 0 0 345.830 3.530 10 0 EHAERN CC(C)(C)C1=CCN(C(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)CC1 ZINC000334097121 1022208326 /nfs/dbraw/zinc/20/83/26/1022208326.db2.gz SROLPDUBCFLBJE-ZWKOTPCHSA-N 0 0 343.471 3.690 10 0 EHAERN C[C@@H](OC(=O)/C=C\c1ccncn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000588440983 1022460717 /nfs/dbraw/zinc/46/07/17/1022460717.db2.gz QLRDWBYSFQACEF-TZGMSPROSA-N 0 0 340.276 3.952 10 0 EHAERN Cc1csc([C@H]2CCCCN2C(=O)c2cccc3cn[nH]c32)n1 ZINC000328817936 1022494020 /nfs/dbraw/zinc/49/40/20/1022494020.db2.gz DHQIKDRNNNSXFO-CQSZACIVSA-N 0 0 326.425 3.695 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)c3cccc4c3CCC4)C2)no1 ZINC000328887603 1022528453 /nfs/dbraw/zinc/52/84/53/1022528453.db2.gz OSDFGEMTJUKMCM-OAHLLOKOSA-N 0 0 339.439 3.702 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1cc(F)ccc1Br ZINC000588452144 1023022915 /nfs/dbraw/zinc/02/29/15/1023022915.db2.gz LHJHWNCCMFCZQE-SREVYHEPSA-N 0 0 349.203 3.621 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000588452621 1023025273 /nfs/dbraw/zinc/02/52/73/1023025273.db2.gz ZBCLEPDCRSWSFO-ALCCZGGFSA-N 0 0 338.798 3.881 10 0 EHAERN CCN(C(=O)/C=C\c1ncccc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000588452979 1023035136 /nfs/dbraw/zinc/03/51/36/1023035136.db2.gz PISCCVZKJFVPHY-QOHRORDFSA-N 0 0 338.451 3.892 10 0 EHAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)/C=C\c1ncccc1C ZINC000588453912 1023047114 /nfs/dbraw/zinc/04/71/14/1023047114.db2.gz YBTPNSZFYWUKGT-JYBLJSLWSA-N 0 0 335.451 3.660 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000588455608 1023072189 /nfs/dbraw/zinc/07/21/89/1023072189.db2.gz JMJLYTSDDQOPLN-HJWRWDBZSA-N 0 0 337.404 3.871 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638209 1023956688 /nfs/dbraw/zinc/95/66/88/1023956688.db2.gz YTBXSHMTHOHTRY-QZNHQWIBSA-N 0 0 333.476 3.925 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181332958 1024007730 /nfs/dbraw/zinc/00/77/30/1024007730.db2.gz ICUZSSILENTBDC-RDJZCZTQSA-N 0 0 340.471 3.860 10 0 EHAERN Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191127754 1024033037 /nfs/dbraw/zinc/03/30/37/1024033037.db2.gz NHPWLYXOSADGIH-UKRRQHHQSA-N 0 0 330.453 3.550 10 0 EHAERN CC(C)(C)c1nnc(NC(=O)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000191353651 1024077525 /nfs/dbraw/zinc/07/75/25/1024077525.db2.gz NQRREKOGHRCESG-GFCCVEGCSA-N 0 0 346.456 3.740 10 0 EHAERN CC[C@@H](C)OCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000151289606 1024085557 /nfs/dbraw/zinc/08/55/57/1024085557.db2.gz HEYFULJUYSKHJB-WBVHZDCISA-N 0 0 341.455 3.598 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cn1 ZINC000093279225 1024094934 /nfs/dbraw/zinc/09/49/34/1024094934.db2.gz GTQIMPHNNAMPLU-GFCCVEGCSA-N 0 0 333.461 3.506 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000103249631 1024382115 /nfs/dbraw/zinc/38/21/15/1024382115.db2.gz FBNOADJIIHKCLC-WMZOPIPTSA-N 0 0 345.487 3.871 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000186239939 1024700252 /nfs/dbraw/zinc/70/02/52/1024700252.db2.gz OLSDXPSCUNQCTQ-IBGZPJMESA-N 0 0 336.435 3.696 10 0 EHAERN C[C@@H]1[C@H](C)OCCN1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000248215286 1024701869 /nfs/dbraw/zinc/70/18/69/1024701869.db2.gz ZNTUNJMHZFTSTF-VYDXJSESSA-N 0 0 344.455 3.642 10 0 EHAERN Cc1cc(NC(=O)N2CCC(Nc3ccccc3F)CC2)ccn1 ZINC000119604281 1025028710 /nfs/dbraw/zinc/02/87/10/1025028710.db2.gz MZBFOBSOPXSYAG-UHFFFAOYSA-N 0 0 328.391 3.638 10 0 EHAERN Cc1nn(C)c(C)c1CCNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000102987576 1025564610 /nfs/dbraw/zinc/56/46/10/1025564610.db2.gz DRQWQWCQEUOAIQ-LJQANCHMSA-N 0 0 327.472 3.526 10 0 EHAERN Cc1csc([C@H]2CCCCN2C(=O)c2ccc3nccnc3c2)n1 ZINC000329079226 1025590124 /nfs/dbraw/zinc/59/01/24/1025590124.db2.gz BYENNTVCNFXGDL-MRXNPFEDSA-N 0 0 338.436 3.762 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[nH]1 ZINC000329167497 1025638522 /nfs/dbraw/zinc/63/85/22/1025638522.db2.gz IOEHOQKQMQEZHW-TWMKSMIVSA-N 0 0 330.476 3.773 10 0 EHAERN CC(C)(C)c1cnc(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)s1 ZINC000329208193 1025663883 /nfs/dbraw/zinc/66/38/83/1025663883.db2.gz BPFQKSQBPUAUBN-SRVKXCTJSA-N 0 0 333.457 3.540 10 0 EHAERN CC(C)[C@H]1NC(=O)N([C@@H]2CC3(CCCC3)Oc3ccccc32)C1=O ZINC000329377887 1025792310 /nfs/dbraw/zinc/79/23/10/1025792310.db2.gz OTEHVZIDTAIPKM-GDBMZVCRSA-N 0 0 328.412 3.604 10 0 EHAERN CCCCC[C@H](C)NC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000119947453 1026679682 /nfs/dbraw/zinc/67/96/82/1026679682.db2.gz AGDITWYETKTCNI-BLLLJJGKSA-N 0 0 348.422 3.875 10 0 EHAERN Fc1cc2ncc(N3CCC[C@@H](c4nccs4)C3)nc2cc1F ZINC000122729615 1026711043 /nfs/dbraw/zinc/71/10/43/1026711043.db2.gz KJLAZRURTIWQPQ-SNVBAGLBSA-N 0 0 332.379 3.749 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(F)c(Cl)c3)CCO2)o1 ZINC000152958007 1026888076 /nfs/dbraw/zinc/88/80/76/1026888076.db2.gz WCRNCDAPZAMZHU-OAHLLOKOSA-N 0 0 338.766 3.986 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000126000342 1027149693 /nfs/dbraw/zinc/14/96/93/1027149693.db2.gz GUWKKGOHKMAEEF-VLIAUNLRSA-N 0 0 345.402 3.671 10 0 EHAERN O=C(Nc1cc(F)cc(Cl)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000153165204 1027247094 /nfs/dbraw/zinc/24/70/94/1027247094.db2.gz MXEKTBCHUYTCBN-HNNXBMFYSA-N 0 0 335.766 3.559 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc4c(C)c(C)[nH]c43)CCO2)o1 ZINC000127053428 1027268266 /nfs/dbraw/zinc/26/82/66/1027268266.db2.gz WOKPFNJSMWGJGQ-SFHVURJKSA-N 0 0 338.407 3.900 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1OCC(F)F ZINC000123409533 1027296348 /nfs/dbraw/zinc/29/63/48/1027296348.db2.gz NUNOITNNQLPBMW-APPDUMDISA-N 0 0 333.334 3.834 10 0 EHAERN CCO[C@H](C)c1noc(CN2CC=C(c3ccccc3F)CC2)n1 ZINC000127743651 1027348460 /nfs/dbraw/zinc/34/84/60/1027348460.db2.gz KXXCORIBMIDCSC-CYBMUJFWSA-N 0 0 331.391 3.596 10 0 EHAERN Cc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c2cnn(C(C)C)c2n1 ZINC000248419271 1027605853 /nfs/dbraw/zinc/60/58/53/1027605853.db2.gz KXJPBJIZSOHPIT-DHSIGJKJSA-N 0 0 340.471 3.971 10 0 EHAERN Cc1cccc(Cl)c1NC(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000130960158 1027720042 /nfs/dbraw/zinc/72/00/42/1027720042.db2.gz LMWBOWAGSNBFPC-ZDUSSCGKSA-N 0 0 349.887 3.923 10 0 EHAERN C[C@@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1nnc2n1CCCC2 ZINC000130972184 1027720280 /nfs/dbraw/zinc/72/02/80/1027720280.db2.gz HOYBKQUNZPOAJL-IUODEOHRSA-N 0 0 344.434 3.707 10 0 EHAERN O=C(Cc1cnc2ccccc2c1)N1CCC[C@H](c2nccs2)C1 ZINC000131516427 1027788983 /nfs/dbraw/zinc/78/89/83/1027788983.db2.gz SBYJCTPKTXPYOE-INIZCTEOSA-N 0 0 337.448 3.640 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)CCO2)o1 ZINC000134034775 1028089396 /nfs/dbraw/zinc/08/93/96/1028089396.db2.gz VPFMLGDFUJRIAF-AHIWAGSCSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3[nH]c4ccc(C)cc4c3C)CCO2)o1 ZINC000134176972 1028099129 /nfs/dbraw/zinc/09/91/29/1028099129.db2.gz PZZMKQSOGOTVLN-SFHVURJKSA-N 0 0 338.407 3.900 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C[C@H](O)c1cccs1 ZINC000246263373 1028109136 /nfs/dbraw/zinc/10/91/36/1028109136.db2.gz AAKGEIBYVKDNDQ-MQYQWHSLSA-N 0 0 335.494 3.850 10 0 EHAERN C[C@@H]1CN(Cc2cc(F)cc3c2OCOC3)C[C@@H](c2ccsc2)O1 ZINC000246334684 1028249987 /nfs/dbraw/zinc/24/99/87/1028249987.db2.gz DUKQWIYCFSMZIX-PXAZEXFGSA-N 0 0 349.427 3.716 10 0 EHAERN Cc1nnc([C@H](NC(=O)CCc2ccc(C)cc2C)c2ccccc2)[nH]1 ZINC000057890222 1028375506 /nfs/dbraw/zinc/37/55/06/1028375506.db2.gz ZBHHPIVJBAJMFL-HXUWFJFHSA-N 0 0 348.450 3.568 10 0 EHAERN COc1ccccc1C(=O)NCCc1nc(-c2ccccc2)oc1C ZINC000062093916 1028441039 /nfs/dbraw/zinc/44/10/39/1028441039.db2.gz WFBJJWZMKMMDLU-UHFFFAOYSA-N 0 0 336.391 3.631 10 0 EHAERN CC[C@H](C(=O)N1CCC(Cn2nc(C)cc2C)CC1)c1ccccc1 ZINC000062130923 1028441848 /nfs/dbraw/zinc/44/18/48/1028441848.db2.gz HGRGNKCEOSURQB-FQEVSTJZSA-N 0 0 339.483 3.932 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@H](COc3ccccc3)C2)cc1 ZINC000062555163 1028449127 /nfs/dbraw/zinc/44/91/27/1028449127.db2.gz IOZAQUNSXMMNMD-INIZCTEOSA-N 0 0 325.408 3.626 10 0 EHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(F)c(F)c1 ZINC000062576100 1028449394 /nfs/dbraw/zinc/44/93/94/1028449394.db2.gz LXLAYXUVMJQLRY-UHFFFAOYSA-N 0 0 342.345 3.901 10 0 EHAERN Cc1ccc([C@H]2CN([C@@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)o1 ZINC000246430612 1028496296 /nfs/dbraw/zinc/49/62/96/1028496296.db2.gz IMAUESZRPVZDFK-QFBILLFUSA-N 0 0 342.439 3.605 10 0 EHAERN Cc1c(Cl)cccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000194879001 1028556718 /nfs/dbraw/zinc/55/67/18/1028556718.db2.gz ZDESEYZJYIUFJW-UHFFFAOYSA-N 0 0 335.860 3.822 10 0 EHAERN O=C(NC(C1CC1)C1CC1)N1CCC(Nc2ccccc2F)CC1 ZINC000073584847 1028564713 /nfs/dbraw/zinc/56/47/13/1028564713.db2.gz REQXWYJKUZJRII-UHFFFAOYSA-N 0 0 331.435 3.600 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccccc3C(C)=O)C2)cc1 ZINC000073850623 1028585383 /nfs/dbraw/zinc/58/53/83/1028585383.db2.gz CLJVSIHJONZJCT-PBHICJAKSA-N 0 0 337.419 3.916 10 0 EHAERN CSc1cccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195355845 1028599254 /nfs/dbraw/zinc/59/92/54/1028599254.db2.gz HMBDDGQPCGYBTI-ZDUSSCGKSA-N 0 0 347.509 3.683 10 0 EHAERN C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)O1 ZINC000246576915 1028662679 /nfs/dbraw/zinc/66/26/79/1028662679.db2.gz YZPHMZQTGJHGCF-FDPIWHGQSA-N 0 0 349.446 3.588 10 0 EHAERN COc1ccc2sc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)c(C)c2c1 ZINC000246582348 1028663498 /nfs/dbraw/zinc/66/34/98/1028663498.db2.gz AUUSIXXWHFNDDD-NUEKZKHPSA-N 0 0 345.464 3.906 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000246740729 1028667950 /nfs/dbraw/zinc/66/79/50/1028667950.db2.gz KQGFRAZZZQKWTN-YYIAUSFCSA-N 0 0 332.492 3.617 10 0 EHAERN c1cc(-c2nc(CN3CCS[C@@H]4COCC[C@H]43)cs2)cs1 ZINC000246852944 1028702792 /nfs/dbraw/zinc/70/27/92/1028702792.db2.gz KVJAPIGORGNMPK-ZIAGYGMSSA-N 0 0 338.523 3.578 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)c2ccncc2)C12CCCC2 ZINC000247266110 1028768163 /nfs/dbraw/zinc/76/81/63/1028768163.db2.gz RKPWEKXMKRKETO-HYVNUMGLSA-N 0 0 331.460 3.522 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(C3SCCS3)cc2)[C@H]2CCO[C@H]21 ZINC000247299626 1028774711 /nfs/dbraw/zinc/77/47/11/1028774711.db2.gz VBVMKVINVVVECM-RBSFLKMASA-N 0 0 349.521 3.709 10 0 EHAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1)c1nccs1 ZINC000247342427 1028779722 /nfs/dbraw/zinc/77/97/22/1028779722.db2.gz ADSJEVNZUQNCTQ-LALPHHSUSA-N 0 0 349.431 3.515 10 0 EHAERN CN(C)c1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000075805796 1028794443 /nfs/dbraw/zinc/79/44/43/1028794443.db2.gz QRAQUBRNBVSMSD-UHFFFAOYSA-N 0 0 341.430 3.608 10 0 EHAERN CSc1c(F)cc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1F ZINC000248453272 1028909934 /nfs/dbraw/zinc/90/99/34/1028909934.db2.gz LBGPVIOTQWIORV-OWYVNGRQSA-N 0 0 342.411 3.622 10 0 EHAERN CCCN(CCc1cccs1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248655627 1028935184 /nfs/dbraw/zinc/93/51/84/1028935184.db2.gz VYKDIOPSWSYHIL-BBWFWOEESA-N 0 0 336.501 3.670 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000245648622 1028970866 /nfs/dbraw/zinc/97/08/66/1028970866.db2.gz GNPXWBWJURAZOC-POAQFYNOSA-N 0 0 347.524 3.816 10 0 EHAERN FC(F)(F)c1ccc([C@H]2CN(C[C@H]3CCC=CO3)CCO2)cc1 ZINC000248996940 1028974813 /nfs/dbraw/zinc/97/48/13/1028974813.db2.gz PEXHEWJTULGCPB-HZPDHXFCSA-N 0 0 327.346 3.771 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248981096 1028975231 /nfs/dbraw/zinc/97/52/31/1028975231.db2.gz SMCKUZMCKJUNPP-SLBVQIDZSA-N 0 0 349.475 3.519 10 0 EHAERN C[C@@H]1CN(C(=O)NCC[C@H]2c3ccccc3NC2=O)[C@H]1c1ccccc1 ZINC000245680554 1028998076 /nfs/dbraw/zinc/99/80/76/1028998076.db2.gz GKRLJLILOOOVBY-DKSSEZFCSA-N 0 0 349.434 3.515 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(-c2ccco2)nc2ccccc21 ZINC000251501954 1029129705 /nfs/dbraw/zinc/12/97/05/1029129705.db2.gz BQBIOOFYZNKQJU-NQYLQCIDSA-N 0 0 348.402 3.792 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000408283000 1029205799 /nfs/dbraw/zinc/20/57/99/1029205799.db2.gz DRAUQNQMVWXHIF-FOIQADDNSA-N 0 0 332.488 3.992 10 0 EHAERN Cc1ccc2cccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c2n1 ZINC000245785547 1029295685 /nfs/dbraw/zinc/29/56/85/1029295685.db2.gz IAOCLMFSKCNXBH-BMGDILEWSA-N 0 0 337.423 3.622 10 0 EHAERN CCCc1ccc(NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000155008543 1029398722 /nfs/dbraw/zinc/39/87/22/1029398722.db2.gz LLPKSSKBZUQBOO-LJQANCHMSA-N 0 0 340.423 3.950 10 0 EHAERN C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccncc1 ZINC000155026754 1029406253 /nfs/dbraw/zinc/40/62/53/1029406253.db2.gz LNYRDONFASHCAE-CZUORRHYSA-N 0 0 325.412 3.744 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@H]3C3CCCCC3)CC2)n1 ZINC000156328336 1029814985 /nfs/dbraw/zinc/81/49/85/1029814985.db2.gz NPYGAWNLUMYYHK-OALUTQOASA-N 0 0 341.499 3.691 10 0 EHAERN Cc1csc2nc(C)nc(N3CCC[C@H]3C[C@@H](O)c3ccco3)c12 ZINC000274651317 1029844780 /nfs/dbraw/zinc/84/47/80/1029844780.db2.gz GKNIVRSBOGRFDA-UONOGXRCSA-N 0 0 343.452 3.994 10 0 EHAERN CCOc1cccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114821981 1029853285 /nfs/dbraw/zinc/85/32/85/1029853285.db2.gz LOMDLVJTOXJHIH-HNNXBMFYSA-N 0 0 345.468 3.631 10 0 EHAERN C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(n2cncn2)CC1 ZINC000156650229 1029916857 /nfs/dbraw/zinc/91/68/57/1029916857.db2.gz OMCSLNFVYBYSTG-LLVKDONJSA-N 0 0 325.243 3.983 10 0 EHAERN Cc1csc(C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)n1 ZINC000156741111 1029989272 /nfs/dbraw/zinc/98/92/72/1029989272.db2.gz RYQGYHQPKSJUJM-UHFFFAOYSA-N 0 0 343.496 3.886 10 0 EHAERN COc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202242 1030089540 /nfs/dbraw/zinc/08/95/40/1030089540.db2.gz MOJGYNCZHNBFGX-MRXNPFEDSA-N 0 0 329.787 3.611 10 0 EHAERN C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1ccncc1 ZINC000157214055 1030375233 /nfs/dbraw/zinc/37/52/33/1030375233.db2.gz HZNNPYJBDXOMED-HNNXBMFYSA-N 0 0 332.407 3.704 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C(C)(C)O1 ZINC000248729652 1030566961 /nfs/dbraw/zinc/56/69/61/1030566961.db2.gz DBRSCPGEJAGTSJ-ZACQAIPSSA-N 0 0 346.471 3.552 10 0 EHAERN O=C(C=Cc1cccc2ccccc12)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170670754 1030693105 /nfs/dbraw/zinc/69/31/05/1030693105.db2.gz PBWSHMKBHINZJY-DOJUMQAQSA-N 0 0 331.419 3.982 10 0 EHAERN Cc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)oc2c1C(=O)CCC2 ZINC000170890066 1030711752 /nfs/dbraw/zinc/71/17/52/1030711752.db2.gz LMQVKRAUJLMDLF-GFCCVEGCSA-N 0 0 344.436 3.583 10 0 EHAERN CCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000170891689 1030714043 /nfs/dbraw/zinc/71/40/43/1030714043.db2.gz FWHVFDPTQIMLQA-CQSZACIVSA-N 0 0 343.452 3.511 10 0 EHAERN COc1ccc(CCC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171616424 1030768056 /nfs/dbraw/zinc/76/80/56/1030768056.db2.gz WCAMSZPGPCLXQM-UHFFFAOYSA-N 0 0 338.451 3.504 10 0 EHAERN O=C(c1coc(-c2ccccc2)n1)N1CCC[C@H](c2nccs2)C1 ZINC000172348174 1030868283 /nfs/dbraw/zinc/86/82/83/1030868283.db2.gz UCJJIXKTXNTAJN-AWEZNQCLSA-N 0 0 339.420 3.818 10 0 EHAERN c1csc([C@H]2CCCN(Cc3noc(C4CCCCC4)n3)C2)n1 ZINC000157963350 1030975476 /nfs/dbraw/zinc/97/54/76/1030975476.db2.gz XLZOKKDLOYFDLS-AWEZNQCLSA-N 0 0 332.473 3.953 10 0 EHAERN Cc1sc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c(C)c1C ZINC000173650227 1031124325 /nfs/dbraw/zinc/12/43/25/1031124325.db2.gz OZQXAEILAXZJIJ-AWEZNQCLSA-N 0 0 349.525 3.948 10 0 EHAERN COc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174075726 1031162875 /nfs/dbraw/zinc/16/28/75/1031162875.db2.gz PCQVCDBGJVKOIJ-UHFFFAOYSA-N 0 0 328.387 3.551 10 0 EHAERN O=C(Cc1ccc(F)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174089016 1031163968 /nfs/dbraw/zinc/16/39/68/1031163968.db2.gz DLXNHKBTHIUBSU-UHFFFAOYSA-N 0 0 330.378 3.610 10 0 EHAERN O=C(c1cccc(Cl)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000174090053 1031164240 /nfs/dbraw/zinc/16/42/40/1031164240.db2.gz QPCFFBBVKDSKGS-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(C)c(Cl)c3)CC2)n1 ZINC000116667211 1031266087 /nfs/dbraw/zinc/26/60/87/1031266087.db2.gz ZSSZVVPCVRERSS-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175874404 1031359725 /nfs/dbraw/zinc/35/97/25/1031359725.db2.gz PASZPTDSUIFGID-YLJYHZDGSA-N 0 0 331.375 3.579 10 0 EHAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCn2ccnc21 ZINC000175930899 1031370589 /nfs/dbraw/zinc/37/05/89/1031370589.db2.gz BQQBYSWLVPOAPH-LBPRGKRZSA-N 0 0 338.238 3.726 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCc2ccc(F)cc21 ZINC000176621088 1031466884 /nfs/dbraw/zinc/46/68/84/1031466884.db2.gz CSAKOZPHOJKOSA-UHFFFAOYSA-N 0 0 345.443 3.628 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000117057571 1031546777 /nfs/dbraw/zinc/54/67/77/1031546777.db2.gz ICLDUYFNECBGGQ-YJBOKZPZSA-N 0 0 344.503 3.579 10 0 EHAERN C[C@@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)C1CCOCC1 ZINC000158993283 1031778838 /nfs/dbraw/zinc/77/88/38/1031778838.db2.gz GOWSHDUGDYYKQV-CQSZACIVSA-N 0 0 342.439 3.597 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000179501124 1031781475 /nfs/dbraw/zinc/78/14/75/1031781475.db2.gz VWVZWDABQHRSIK-HNNXBMFYSA-N 0 0 336.399 3.559 10 0 EHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117623801 1031783377 /nfs/dbraw/zinc/78/33/77/1031783377.db2.gz BBQYRNVVXGJZTE-BTDLBPIBSA-N 0 0 344.798 3.802 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc([S@](C)=O)cc1 ZINC000179809328 1031810978 /nfs/dbraw/zinc/81/09/78/1031810978.db2.gz PNQPGBSZPDTDGQ-OZAJXLCCSA-N 0 0 342.464 3.872 10 0 EHAERN O=C(/C=C/c1ccnc2ccccc12)Nc1cccc(-c2ncon2)c1 ZINC000117778945 1031852072 /nfs/dbraw/zinc/85/20/72/1031852072.db2.gz QVARMDWUUTXUCS-CMDGGOBGSA-N 0 0 342.358 3.937 10 0 EHAERN CN1CCc2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)cc21 ZINC000180236355 1031870865 /nfs/dbraw/zinc/87/08/65/1031870865.db2.gz WBOLXAFLCGDMLR-CQSZACIVSA-N 0 0 342.468 3.547 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cn(C)nc3-c3ccccc3)CCO2)o1 ZINC000180644144 1031894731 /nfs/dbraw/zinc/89/47/31/1031894731.db2.gz PEPUIQFTQDDBRX-LJQANCHMSA-N 0 0 337.423 3.562 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cccc4cc[nH]c43)CC2)nc1 ZINC000180865856 1031916565 /nfs/dbraw/zinc/91/65/65/1031916565.db2.gz NLTLRAFEEAOYLO-UHFFFAOYSA-N 0 0 335.407 3.555 10 0 EHAERN O=C(NCc1ccc(Cl)cn1)N1CC=C(c2ccccc2)CC1 ZINC000181092818 1031945866 /nfs/dbraw/zinc/94/58/66/1031945866.db2.gz UZZQTFMOZDCODL-UHFFFAOYSA-N 0 0 327.815 3.734 10 0 EHAERN Cc1cc(C)cc(/C=C/C(=O)N2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000181628972 1032015285 /nfs/dbraw/zinc/01/52/85/1032015285.db2.gz SHOLADKZMMTZAK-OVKVCFKUSA-N 0 0 337.467 3.531 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccnc(C)c3)C2)cc1 ZINC000120147094 1033395521 /nfs/dbraw/zinc/39/55/21/1033395521.db2.gz LXPZLZGDOFDREH-ZBFHGGJFSA-N 0 0 325.412 3.809 10 0 EHAERN COc1ccc(C2=N/C(=C/C=C/c3ccccc3OC)C(=O)O2)cc1 ZINC000000430716 1033453550 /nfs/dbraw/zinc/45/35/50/1033453550.db2.gz PPOSMWUBNKRAHG-NQLWTVTNSA-N 0 0 335.359 3.605 10 0 EHAERN CN(Cc1cscn1)Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000120258687 1033549134 /nfs/dbraw/zinc/54/91/34/1033549134.db2.gz JJXPAGRTWQVDIN-UHFFFAOYSA-N 0 0 332.860 3.829 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccccc1OCC1CC1 ZINC000101524802 1033733404 /nfs/dbraw/zinc/73/34/04/1033733404.db2.gz OJCOESSYRUEHFD-UHFFFAOYSA-N 0 0 335.363 3.778 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(OCC2CC2)cc1 ZINC000101525013 1033737360 /nfs/dbraw/zinc/73/73/60/1033737360.db2.gz IDLSRMQQMLULOV-UHFFFAOYSA-N 0 0 335.363 3.778 10 0 EHAERN CCc1nc(C[S@](=O)Cc2nc(-c3cccc(C)c3)no2)cs1 ZINC000101716087 1034100365 /nfs/dbraw/zinc/10/03/65/1034100365.db2.gz IVJYUAAOUNQZRJ-HSZRJFAPSA-N 0 0 347.465 3.513 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000088755700 1034224757 /nfs/dbraw/zinc/22/47/57/1034224757.db2.gz MVPFYGBOAQDBKI-GJZGRUSLSA-N 0 0 347.507 3.533 10 0 EHAERN CSc1cccc(N(C)C(=O)C[C@@H](NC(C)=O)c2ccccc2)c1 ZINC000101837098 1034269998 /nfs/dbraw/zinc/26/99/98/1034269998.db2.gz QYINOMMBIJKACH-GOSISDBHSA-N 0 0 342.464 3.639 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@H](O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000089301362 1034286682 /nfs/dbraw/zinc/28/66/82/1034286682.db2.gz DWTQSLDVVHQOKA-HEFCMCLBSA-N 0 0 327.399 3.859 10 0 EHAERN CC1(C)[C@H](NC(=O)NC2(c3ccccc3)CCCC2)[C@H]2CCO[C@H]21 ZINC000246982704 1034568955 /nfs/dbraw/zinc/56/89/55/1034568955.db2.gz PCJOMNAQMZIVBN-BRWVUGGUSA-N 0 0 328.456 3.569 10 0 EHAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1nc2ccccc2n1C ZINC000186054019 1035574489 /nfs/dbraw/zinc/57/44/89/1035574489.db2.gz BUMBXQYFYZNBIJ-HNNXBMFYSA-N 0 0 343.434 3.881 10 0 EHAERN COc1ccc2c(c1)[C@@H](NCc1ncc(-c3ccccc3)cn1)CC2 ZINC000186059014 1035574859 /nfs/dbraw/zinc/57/48/59/1035574859.db2.gz QVVIWZPXHKCPDM-FQEVSTJZSA-N 0 0 331.419 3.929 10 0 EHAERN CSCCCCCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000186169566 1035594424 /nfs/dbraw/zinc/59/44/24/1035594424.db2.gz INDKNGSQRCKLKN-ZDUSSCGKSA-N 0 0 327.519 3.565 10 0 EHAERN COc1cc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)ccc1F ZINC000186540807 1035657966 /nfs/dbraw/zinc/65/79/66/1035657966.db2.gz MCRIQECGFFWUAL-NSHDSACASA-N 0 0 329.375 3.985 10 0 EHAERN CCC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186581088 1035662993 /nfs/dbraw/zinc/66/29/93/1035662993.db2.gz BQSULKUKGBFDDE-CYBMUJFWSA-N 0 0 330.432 3.708 10 0 EHAERN C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186630682 1035675113 /nfs/dbraw/zinc/67/51/13/1035675113.db2.gz NFSNVGIRMGBEFR-CYBMUJFWSA-N 0 0 338.411 3.889 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)cs1 ZINC000187037687 1035745426 /nfs/dbraw/zinc/74/54/26/1035745426.db2.gz CSMFQJVMQUXMKM-SFHVURJKSA-N 0 0 326.465 3.846 10 0 EHAERN COc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186996542 1035759085 /nfs/dbraw/zinc/75/90/85/1035759085.db2.gz SFKLBLWMTRNAGT-SCOAYWHSSA-N 0 0 328.437 3.837 10 0 EHAERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188598970 1035930255 /nfs/dbraw/zinc/93/02/55/1035930255.db2.gz XCNHCKFECFLZNJ-YVEFUNNKSA-N 0 0 338.407 3.696 10 0 EHAERN c1c[nH]c([C@H](N[C@H](c2nccs2)c2ccccc2)c2ccncc2)n1 ZINC000189099610 1036013547 /nfs/dbraw/zinc/01/35/47/1036013547.db2.gz RSRNCPCGWHWIKQ-SJORKVTESA-N 0 0 347.447 3.730 10 0 EHAERN CC(C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC000332796588 1036173481 /nfs/dbraw/zinc/17/34/81/1036173481.db2.gz UMTOARPZCAYCAA-DODZYUBVSA-N 0 0 347.503 3.609 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000190149922 1036197802 /nfs/dbraw/zinc/19/78/02/1036197802.db2.gz KDPZRTGLWQJSCS-DOTOQJQBSA-N 0 0 341.411 3.703 10 0 EHAERN CC(C)[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000157684205 1036226875 /nfs/dbraw/zinc/22/68/75/1036226875.db2.gz BBSAFHJXEMWPRU-HBFSDRIKSA-N 0 0 330.472 3.720 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CNC(=O)CCC2CCCC2)n1 ZINC000190391151 1036234843 /nfs/dbraw/zinc/23/48/43/1036234843.db2.gz DJGKXLQYFXONBD-YOEHRIQHSA-N 0 0 349.475 3.575 10 0 EHAERN CC[C@@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCO1 ZINC000157743396 1036321908 /nfs/dbraw/zinc/32/19/08/1036321908.db2.gz MIDDEDWDACXDLU-WBVHZDCISA-N 0 0 344.455 3.643 10 0 EHAERN O=C(c1cnn2c1CCCC2)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191215725 1036350704 /nfs/dbraw/zinc/35/07/04/1036350704.db2.gz JMFZJJNXZHIJFD-ZDUSSCGKSA-N 0 0 345.393 3.517 10 0 EHAERN CC(=O)Nc1cccc(NC(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000191533064 1036408606 /nfs/dbraw/zinc/40/86/06/1036408606.db2.gz VFQYQYWXWGHZPM-KRWDZBQOSA-N 0 0 339.395 3.599 10 0 EHAERN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H]1c1ccco1 ZINC000191879403 1036436321 /nfs/dbraw/zinc/43/63/21/1036436321.db2.gz UYESCHGOZDMVJF-CVEARBPZSA-N 0 0 326.396 3.958 10 0 EHAERN CC(=O)Nc1cccc(CN2CC3(CCOCC3)c3ccccc32)c1 ZINC000192278365 1036491263 /nfs/dbraw/zinc/49/12/63/1036491263.db2.gz YJOFNPCPORQEJO-UHFFFAOYSA-N 0 0 336.435 3.713 10 0 EHAERN C[C@H](C(=O)Nc1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000192287853 1036492275 /nfs/dbraw/zinc/49/22/75/1036492275.db2.gz MOXCIHKTQPIIKI-MRXNPFEDSA-N 0 0 336.435 3.582 10 0 EHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000192688655 1036538687 /nfs/dbraw/zinc/53/86/87/1036538687.db2.gz KKLAEZYUCWFPIR-UKRRQHHQSA-N 0 0 326.362 3.739 10 0 EHAERN Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cnn1C1CCCC1 ZINC000192699668 1036540277 /nfs/dbraw/zinc/54/02/77/1036540277.db2.gz CCAQNLLBUNJBOO-XIKOKIGWSA-N 0 0 325.412 3.810 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)n1 ZINC000102646769 1036739048 /nfs/dbraw/zinc/73/90/48/1036739048.db2.gz SXHSGNNACARPPP-HNNXBMFYSA-N 0 0 344.480 3.933 10 0 EHAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000102726219 1036755594 /nfs/dbraw/zinc/75/55/94/1036755594.db2.gz AHVAXFTXQLQPRI-CQSZACIVSA-N 0 0 346.477 3.665 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc4ncccc4c3)c21 ZINC000103127423 1036845213 /nfs/dbraw/zinc/84/52/13/1036845213.db2.gz ZGTYAZMQSUUUCJ-UHFFFAOYSA-N 0 0 329.403 3.997 10 0 EHAERN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000132393896 1036848159 /nfs/dbraw/zinc/84/81/59/1036848159.db2.gz SJXXEWPCEBYYNG-DLBZAZTESA-N 0 0 345.830 3.514 10 0 EHAERN Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103725214 1036933351 /nfs/dbraw/zinc/93/33/51/1036933351.db2.gz FYIRZOFBHBJGEW-UHFFFAOYSA-N 0 0 348.193 3.530 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccnc(F)c3F)CC2)cc1C ZINC000193514512 1036940806 /nfs/dbraw/zinc/94/08/06/1036940806.db2.gz XINBIQWOXXPHSM-UHFFFAOYSA-N 0 0 346.377 3.660 10 0 EHAERN CCCn1ccc2cc(NC(=O)NCc3cccc(OC)n3)ccc21 ZINC000103589914 1036947205 /nfs/dbraw/zinc/94/72/05/1036947205.db2.gz WKJSMDFDXPBIDR-UHFFFAOYSA-N 0 0 338.411 3.777 10 0 EHAERN COc1ccc([C@H](CC(=O)NCCCCC(C)(C)C)NC(C)=O)cc1 ZINC000104439834 1037039489 /nfs/dbraw/zinc/03/94/89/1037039489.db2.gz WLKSSCWWGJEFRU-SFHVURJKSA-N 0 0 348.487 3.595 10 0 EHAERN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1C ZINC000175385662 1037061897 /nfs/dbraw/zinc/06/18/97/1037061897.db2.gz VRZMQBAKECQBGA-OAHLLOKOSA-N 0 0 336.482 3.676 10 0 EHAERN c1cc(-c2noc(CSc3ccc4c(c3)OCCCO4)n2)co1 ZINC000105571642 1037212865 /nfs/dbraw/zinc/21/28/65/1037212865.db2.gz SXONVUSWEDQSRX-UHFFFAOYSA-N 0 0 330.365 3.783 10 0 EHAERN COc1ccsc1C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000105947841 1037263880 /nfs/dbraw/zinc/26/38/80/1037263880.db2.gz DHDFBAYYCIPBQY-UHFFFAOYSA-N 0 0 347.436 3.579 10 0 EHAERN Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103299147 1037587991 /nfs/dbraw/zinc/58/79/91/1037587991.db2.gz OBTGXKPIEKCOLZ-HXUWFJFHSA-N 0 0 331.419 3.979 10 0 EHAERN Cc1ccc(NC(=O)N[C@H](c2ccco2)c2ccccc2)cc1C(N)=O ZINC000105033780 1037598583 /nfs/dbraw/zinc/59/85/83/1037598583.db2.gz LBAVHJLWALILSR-SFHVURJKSA-N 0 0 349.390 3.598 10 0 EHAERN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1)c1nnc(-c2ccccc2)o1 ZINC000105542653 1037601980 /nfs/dbraw/zinc/60/19/80/1037601980.db2.gz JMPXLSUSRKGLIV-CYBMUJFWSA-N 0 0 348.406 3.802 10 0 EHAERN O=C(NCC1(c2ccccc2)CC1)N1CCC[C@H](c2nccs2)C1 ZINC000114820944 1037810342 /nfs/dbraw/zinc/81/03/42/1037810342.db2.gz LALRUCNHJBFNQC-HNNXBMFYSA-N 0 0 341.480 3.764 10 0 EHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117586630 1037855810 /nfs/dbraw/zinc/85/58/10/1037855810.db2.gz RFYNLDVWVGNDSF-RBZFPXEDSA-N 0 0 347.418 3.992 10 0 EHAERN COCCOc1cc(C)ccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117621061 1037857519 /nfs/dbraw/zinc/85/75/19/1037857519.db2.gz FSKXERCINOZTMI-LIRRHRJNSA-N 0 0 341.407 3.523 10 0 EHAERN CCCOc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000125068089 1038274034 /nfs/dbraw/zinc/27/40/34/1038274034.db2.gz TYOLLGZDLTZZBX-GOSISDBHSA-N 0 0 344.411 3.982 10 0 EHAERN CCC1(CO)CCN(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000124617895 1039007228 /nfs/dbraw/zinc/00/72/28/1039007228.db2.gz ONSZJWIZGCPJHW-CRAIPNDOSA-N 0 0 330.472 3.819 10 0 EHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)n1 ZINC000245500895 1040065894 /nfs/dbraw/zinc/06/58/94/1040065894.db2.gz AFJXJQHWOPMETG-FHWLQOOXSA-N 0 0 346.519 3.596 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCC(Cn2cccn2)CC1 ZINC000332877825 1040170995 /nfs/dbraw/zinc/17/09/95/1040170995.db2.gz ZBHROAGWQHVSRF-CEXWTWQISA-N 0 0 344.503 3.664 10 0 EHAERN C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000157047548 1040389465 /nfs/dbraw/zinc/38/94/65/1040389465.db2.gz VYVQBSRLWINPGD-JSGCOSHPSA-N 0 0 345.472 3.722 10 0 EHAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000245718785 1040430874 /nfs/dbraw/zinc/43/08/74/1040430874.db2.gz AGKLZQFKABXUAF-KYJSFNMBSA-N 0 0 341.451 3.945 10 0 EHAERN COc1ccnc(N2CCC[C@@H]2c2nc(C3CCCCC3)co2)n1 ZINC000364347862 1040932396 /nfs/dbraw/zinc/93/23/96/1040932396.db2.gz RHOSFBGTQNFWJQ-OAHLLOKOSA-N 0 0 328.416 3.862 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cs1 ZINC000333034998 1041081780 /nfs/dbraw/zinc/08/17/80/1041081780.db2.gz UKIXREGBNOVRON-ZWNOBZJWSA-N 0 0 349.460 3.566 10 0 EHAERN C[C@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1F ZINC000162636076 1042743696 /nfs/dbraw/zinc/74/36/96/1042743696.db2.gz KXGCLGMXPIAFRV-OAHLLOKOSA-N 0 0 343.446 3.534 10 0 EHAERN CC(C)C(=O)N1CCC(c2nc(C3C[C@H](C)C[C@@H](C)C3)no2)CC1 ZINC000408225750 1042762781 /nfs/dbraw/zinc/76/27/81/1042762781.db2.gz KMRAHTPWHMMNGP-ZIAGYGMSSA-N 0 0 333.476 3.971 10 0 EHAERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CC[C@H]2CCC[C@H]21 ZINC000330286979 1042819394 /nfs/dbraw/zinc/81/93/94/1042819394.db2.gz AZAMDHHINUCDLV-CXAGYDPISA-N 0 0 339.439 3.872 10 0 EHAERN COc1ccc2nc(C)cc(C(=O)N3CC(C)(C)OC(C)(C)C3)c2c1 ZINC000408263124 1042884853 /nfs/dbraw/zinc/88/48/53/1042884853.db2.gz RTMPYRJADGQHQA-UHFFFAOYSA-N 0 0 342.439 3.581 10 0 EHAERN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CC[C@H]2CCC[C@H]21 ZINC000330322520 1042901544 /nfs/dbraw/zinc/90/15/44/1042901544.db2.gz SNRZAKXYKVNOSU-BXUZGUMPSA-N 0 0 342.420 3.553 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1cc2cccc(F)c2o1 ZINC000408287317 1042971152 /nfs/dbraw/zinc/97/11/52/1042971152.db2.gz QEUUEKLNLDBCAQ-XIKOKIGWSA-N 0 0 334.391 3.579 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3cnc(C)s3)CC2)n1 ZINC000112283883 1044596436 /nfs/dbraw/zinc/59/64/36/1044596436.db2.gz RKUDQYNLZXUERO-ONEGZZNKSA-N 0 0 333.482 3.636 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000268475997 1128539328 /nfs/dbraw/zinc/53/93/28/1128539328.db2.gz NRBZOTUVKLWENW-YVSFHVDLSA-N 0 0 332.444 3.646 10 0 EHAERN CC(C)(C)COC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000102145004 1135464922 /nfs/dbraw/zinc/46/49/22/1135464922.db2.gz FQXAQQPDSRMFLA-UHFFFAOYSA-N 0 0 339.848 3.602 10 0 EHAERN C[C@@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)c1ccccc1F ZINC000102604327 1135601958 /nfs/dbraw/zinc/60/19/58/1135601958.db2.gz JZRCGQMOQWMNNS-ZDUSSCGKSA-N 0 0 329.371 3.627 10 0 EHAERN CC[C@H](C)c1ccc(OC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000105755242 1135969539 /nfs/dbraw/zinc/96/95/39/1135969539.db2.gz XNPHSCGBMDNBSB-WMLDXEAASA-N 0 0 329.440 3.754 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000102877526 1137874360 /nfs/dbraw/zinc/87/43/60/1137874360.db2.gz MWKRMJXNRSAUJZ-FSPWUOQZSA-N 0 0 326.440 3.686 10 0 EHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000333186683 1137957636 /nfs/dbraw/zinc/95/76/36/1137957636.db2.gz NAOLEUUEIKSFEP-CABCVRRESA-N 0 0 349.862 3.856 10 0 EHAERN Cc1cnc(-c2noc(-c3cc4c([nH]c3=O)CCCCC4)n2)s1 ZINC000333215624 1137958373 /nfs/dbraw/zinc/95/83/73/1137958373.db2.gz KYRLYHIWPASOJS-UHFFFAOYSA-N 0 0 328.397 3.538 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000334117912 1138373233 /nfs/dbraw/zinc/37/32/33/1138373233.db2.gz ITMHLJPMYHOUPW-QIJZBDPFSA-N 0 0 336.863 3.531 10 0 EHAERN CCOc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000187036969 1140233889 /nfs/dbraw/zinc/23/38/89/1140233889.db2.gz RWTSTLBHANSLHS-HNNXBMFYSA-N 0 0 346.452 3.836 10 0 EHAERN CCc1ccc(OCC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187034573 1140234030 /nfs/dbraw/zinc/23/40/30/1140234030.db2.gz ILMUGYATJQBSBY-KRWDZBQOSA-N 0 0 330.453 3.756 10 0 EHAERN COc1ccc(CC(=O)N2CCC[C@H]2c2csc(C)n2)cc1F ZINC000187098233 1140238346 /nfs/dbraw/zinc/23/83/46/1140238346.db2.gz CGIIQHWRJKNHFO-HNNXBMFYSA-N 0 0 334.416 3.505 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2C)cs1 ZINC000188120389 1140284204 /nfs/dbraw/zinc/28/42/04/1140284204.db2.gz UVPMYWJHOBLVJF-HNNXBMFYSA-N 0 0 332.473 3.689 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000190104686 1140386355 /nfs/dbraw/zinc/38/63/55/1140386355.db2.gz RFNOXOCFUGXEIJ-RISCZKNCSA-N 0 0 342.226 3.647 10 0 EHAERN COC(=O)c1sc2c(cnc3ccc(C(F)(F)F)cc23)c1N ZINC000053994716 214209672 /nfs/dbraw/zinc/20/96/72/214209672.db2.gz TWRPFMUNKFNCHF-UHFFFAOYSA-N 0 0 326.299 3.837 10 0 EHAERN O[C@@H](COc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000054436515 214238527 /nfs/dbraw/zinc/23/85/27/214238527.db2.gz RALFCPOVQOVQLJ-GFCCVEGCSA-N 0 0 325.177 3.571 10 0 EHAERN COc1ccc([C@H](C(=O)NC2CCCCC2)N2CCCCC2)cc1 ZINC000058012629 214471328 /nfs/dbraw/zinc/47/13/28/214471328.db2.gz LNJFXLFVRGEJTG-LJQANCHMSA-N 0 0 330.472 3.671 10 0 EHAERN COc1ccc([C@H](C)NC(=O)Nc2ccccc2N(C)C)cc1OC ZINC000047146042 213832991 /nfs/dbraw/zinc/83/29/91/213832991.db2.gz SNBDQONZXJAKFV-ZDUSSCGKSA-N 0 0 343.427 3.653 10 0 EHAERN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Br)cc1 ZINC000003536913 210050947 /nfs/dbraw/zinc/05/09/47/210050947.db2.gz LYDRQGIDODMVJR-LBPRGKRZSA-N 0 0 345.240 3.839 10 0 EHAERN CC(C)Nc1cc(N2CCc3onc(-c4ccccc4)c3C2)ncn1 ZINC000067935272 215253856 /nfs/dbraw/zinc/25/38/56/215253856.db2.gz VNVWKPNMPJSRKV-UHFFFAOYSA-N 0 0 335.411 3.515 10 0 EHAERN OCc1c(Cl)n(Cc2ccc(Br)cc2)nc1C1CC1 ZINC000103963289 219332747 /nfs/dbraw/zinc/33/27/47/219332747.db2.gz JIKASZJREYINRM-UHFFFAOYSA-N 0 0 341.636 3.717 10 0 EHAERN Cc1ccnc(Sc2ccc([C@@H](C)O)cc2Br)n1 ZINC000104301982 219373406 /nfs/dbraw/zinc/37/34/06/219373406.db2.gz XQEBPPXWJFNWMA-SECBINFHSA-N 0 0 325.231 3.752 10 0 EHAERN CCCCCNC(=O)COc1c(C)cc(Br)cc1C ZINC000040866067 213394651 /nfs/dbraw/zinc/39/46/51/213394651.db2.gz ODQSVNRVDXPQKJ-UHFFFAOYSA-N 0 0 328.250 3.751 10 0 EHAERN Nc1c(Nc2cccc3ncccc32)ncnc1Oc1cccnc1 ZINC000040796943 213388410 /nfs/dbraw/zinc/38/84/10/213388410.db2.gz KQTMFWCSBLZLKM-UHFFFAOYSA-N 0 0 330.351 3.538 10 0 EHAERN Cc1ccc2c(cccc2Nc2ncnc(Nc3nccs3)c2N)n1 ZINC000040780998 213385946 /nfs/dbraw/zinc/38/59/46/213385946.db2.gz OULMTHHNFDXGOZ-UHFFFAOYSA-N 0 0 349.423 3.859 10 0 EHAERN CC(=O)Nc1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1 ZINC000040782080 213386779 /nfs/dbraw/zinc/38/67/79/213386779.db2.gz LQMUDHGHXOTAJU-UHFFFAOYSA-N 0 0 348.410 3.813 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040782617 213386671 /nfs/dbraw/zinc/38/66/71/213386671.db2.gz SWQVSUCUNQKQOL-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN CN(c1ccccc1)c1ncnc(Nc2cc(F)ccc2F)c1N ZINC000040757898 213383245 /nfs/dbraw/zinc/38/32/45/213383245.db2.gz DTJDROFCRXGMPP-UHFFFAOYSA-N 0 0 327.338 3.849 10 0 EHAERN Cc1ccc2cccc(Oc3ncnc(Oc4cccnc4)c3N)c2n1 ZINC000040752363 213382521 /nfs/dbraw/zinc/38/25/21/213382521.db2.gz SIIFVRKIWWITDA-UHFFFAOYSA-N 0 0 345.362 3.895 10 0 EHAERN CC(C)(C)Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040680700 213368378 /nfs/dbraw/zinc/36/83/78/213368378.db2.gz AKAYGEVJKKTZBL-UHFFFAOYSA-N 0 0 341.337 3.911 10 0 EHAERN Cc1nnc(Cc2ccc(NC(=O)c3cccc(Cl)c3)cc2)o1 ZINC000040323248 213291817 /nfs/dbraw/zinc/29/18/17/213291817.db2.gz GQSBNGBAXDDDRW-UHFFFAOYSA-N 0 0 327.771 3.875 10 0 EHAERN Cn1cc(C(=O)Nc2ccccc2Cl)c(=O)c2cccc(F)c21 ZINC000039963043 213247540 /nfs/dbraw/zinc/24/75/40/213247540.db2.gz XTSBSIXWVMNWCS-UHFFFAOYSA-N 0 0 330.746 3.583 10 0 EHAERN CCOCc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1 ZINC000038317776 213207565 /nfs/dbraw/zinc/20/75/65/213207565.db2.gz DEGNBKDJETUKJV-UHFFFAOYSA-N 0 0 342.420 3.577 10 0 EHAERN CCN1C(=O)N/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000000561112 209664138 /nfs/dbraw/zinc/66/41/38/209664138.db2.gz BELXLXFDCFKSMW-PDGQHHTCSA-N 0 0 345.402 3.602 10 0 EHAERN Nc1cc(F)c(Nc2ccc(I)cc2)c(F)c1 ZINC000038039989 213197109 /nfs/dbraw/zinc/19/71/09/213197109.db2.gz HRPALNANUUZWSX-UHFFFAOYSA-N 0 0 346.118 3.895 10 0 EHAERN CCOC(=O)c1ccsc1NC(=O)c1nc(Cl)ccc1Cl ZINC000037975112 213178444 /nfs/dbraw/zinc/17/84/44/213178444.db2.gz XLFLCQAXVFHWNK-UHFFFAOYSA-N 0 0 345.207 3.879 10 0 EHAERN COC(=O)[C@@](C)(NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000037973456 213177301 /nfs/dbraw/zinc/17/73/01/213177301.db2.gz SAEJQDNCSHDGFN-NSHDSACASA-N 0 0 330.133 3.534 10 0 EHAERN C[C@H]1CCCCN1C(=O)/C=C1/Sc2ccc(Cl)cc2NC1=O ZINC000037291458 213139420 /nfs/dbraw/zinc/13/94/20/213139420.db2.gz GYQRBQGKUDQQHU-RSYJBZMQSA-N 0 0 336.844 3.669 10 0 EHAERN Nc1ccc(Cl)c(NC(=O)c2ccc(Br)s2)c1 ZINC000036737663 213114879 /nfs/dbraw/zinc/11/48/79/213114879.db2.gz XSTTUZHQHQBWAX-UHFFFAOYSA-N 0 0 331.622 3.999 10 0 EHAERN C[C@H](NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1)c1ccccc1 ZINC000036615439 213102736 /nfs/dbraw/zinc/10/27/36/213102736.db2.gz YJVPOTAYFYPPTO-MEDUHNTESA-N 0 0 346.789 3.850 10 0 EHAERN Nc1cc(F)ccc1-c1nc(-c2cccc(Br)c2)no1 ZINC000034973403 213003121 /nfs/dbraw/zinc/00/31/21/213003121.db2.gz LWBZXPCWXHTXDY-UHFFFAOYSA-N 0 0 334.148 3.887 10 0 EHAERN CCc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(C(N)=O)c2)cc1 ZINC000072093528 216006973 /nfs/dbraw/zinc/00/69/73/216006973.db2.gz YFBAKBUPVPVRTM-CYBMUJFWSA-N 0 0 325.412 3.539 10 0 EHAERN Cc1cc2c(nc(-c3cccnc3)nc2NC[C@@H]2CCCO2)s1 ZINC000072260803 216085544 /nfs/dbraw/zinc/08/55/44/216085544.db2.gz FLTDQBUOXFHEIH-ZDUSSCGKSA-N 0 0 326.425 3.653 10 0 EHAERN Cc1cc2c(nc(-c3cccnc3)nc2NC[C@H]2CCCO2)s1 ZINC000072260804 216085762 /nfs/dbraw/zinc/08/57/62/216085762.db2.gz FLTDQBUOXFHEIH-CYBMUJFWSA-N 0 0 326.425 3.653 10 0 EHAERN COc1cc2c(Nc3ccc(F)cc3)ncnc2c(OC)c1OC ZINC000028650332 212630096 /nfs/dbraw/zinc/63/00/96/212630096.db2.gz FVLUEGHYVXZQIL-UHFFFAOYSA-N 0 0 329.331 3.538 10 0 EHAERN Cc1ncc(CNc2cc(Br)ccc2N(C)C)s1 ZINC000037797570 213168431 /nfs/dbraw/zinc/16/84/31/213168431.db2.gz ALWBTIYJXAJQFG-UHFFFAOYSA-N 0 0 326.263 3.892 10 0 EHAERN O=C1CCCc2c1cnc1nc(SCc3ccc(Cl)cc3)nn12 ZINC000072466759 216247570 /nfs/dbraw/zinc/24/75/70/216247570.db2.gz GRSUHVGKNOTSFC-UHFFFAOYSA-N 0 0 344.827 3.589 10 0 EHAERN O=C([O-])[C@@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1F ZINC000037971830 213177257 /nfs/dbraw/zinc/17/72/57/213177257.db2.gz HXGWSLZOGAHEQM-ZDUSSCGKSA-N 0 0 330.197 3.636 10 0 EHAERN Oc1ccc2c(c1)OC[C@@H]2NCc1cc(F)ccc1Br ZINC000038039000 213196192 /nfs/dbraw/zinc/19/61/92/213196192.db2.gz KYALCRSXZHAFKO-AWEZNQCLSA-N 0 0 338.176 3.517 10 0 EHAERN Cc1cccc(NC(=S)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 ZINC000020408315 212126743 /nfs/dbraw/zinc/12/67/43/212126743.db2.gz NTLCHLIKRBKFHC-SFHVURJKSA-N 0 0 341.480 3.768 10 0 EHAERN C[C@](O)(C[C@](C)(O)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000077273466 216861376 /nfs/dbraw/zinc/86/13/76/216861376.db2.gz BUIQPLVQIGSHGP-IRXDYDNUSA-N 0 0 328.305 3.748 10 0 in-vitro EHAERN COc1ccc2nc(C)cc(NC(=O)c3ccc4nccnc4c3)c2c1 ZINC000019939841 212088556 /nfs/dbraw/zinc/08/85/56/212088556.db2.gz CNUAUBKJXDRGHV-UHFFFAOYSA-N 0 0 344.374 3.747 10 0 EHAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(Br)s1 ZINC000019266326 212010407 /nfs/dbraw/zinc/01/04/07/212010407.db2.gz MJJXXKIDUUNACO-UHFFFAOYSA-N 0 0 331.622 3.999 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2ccc(CC)cc2)n1C(=O)CC ZINC000011638079 211228652 /nfs/dbraw/zinc/22/86/52/211228652.db2.gz ODZGRNDZUVTQNF-ZCXUNETKSA-N 0 0 332.425 3.710 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2ccccc2Cl)n1C(=O)CC ZINC000011638094 211228158 /nfs/dbraw/zinc/22/81/58/211228158.db2.gz RRJQQZKZOYOHEP-ICFOKQHNSA-N 0 0 338.816 3.801 10 0 EHAERN Nc1ncnc2nc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3)c12 ZINC000009694506 211116463 /nfs/dbraw/zinc/11/64/63/211116463.db2.gz XDXIGGSXZAXNFY-UHFFFAOYSA-N 0 0 342.358 3.670 10 0 EHAERN O=C(Nc1c2ccccc2oc1C(=O)N1CCCC1)C1CCCC1 ZINC000009265582 211059252 /nfs/dbraw/zinc/05/92/52/211059252.db2.gz UWSHLPOOOOWMCJ-UHFFFAOYSA-N 0 0 326.396 3.798 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](COCc2ccc(Cl)nc2)C1 ZINC000095084153 218275514 /nfs/dbraw/zinc/27/55/14/218275514.db2.gz ZVZKOAAOUCESFH-ZDUSSCGKSA-N 0 0 326.824 3.509 10 0 EHAERN CCOc1ccccc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000005476030 210471732 /nfs/dbraw/zinc/47/17/32/210471732.db2.gz CPKYRUJILFBYEE-UHFFFAOYSA-N 0 0 327.380 3.903 10 0 EHAERN O=c1c2cc(Cl)cc(Cl)c2occ1[C@H]1NCCn2cccc21 ZINC000032500401 258003494 /nfs/dbraw/zinc/00/34/94/258003494.db2.gz CUPKGALRWLQFLY-CQSZACIVSA-N 0 0 335.190 3.594 10 0 EHAERN COc1ccc(C)cc1N1CCN(Cc2ccccc2C)[C@@H](C)C1=O ZINC000037285235 132393977 /nfs/dbraw/zinc/39/39/77/132393977.db2.gz RNWLDHRVPGFEEL-KRWDZBQOSA-N 0 0 338.451 3.549 10 0 EHAERN CCOC(=O)CN1C(=O)O[C@@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000003607529 135660789 /nfs/dbraw/zinc/66/07/89/135660789.db2.gz HPLYKCKUDFMHGL-KRWDZBQOSA-N 0 0 345.782 3.949 10 0 EHAERN CCCOc1ccc([C@H](C)NC(=O)c2csnn2)cc1OCCC ZINC000041687474 520425656 /nfs/dbraw/zinc/42/56/56/520425656.db2.gz INGHLFONXHTOQF-LBPRGKRZSA-N 0 0 349.456 3.607 10 0 EHAERN Nc1ccc([C@H](O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000091351897 527500956 /nfs/dbraw/zinc/50/09/56/527500956.db2.gz PGMYEAZRIRQUFU-NRFANRHFSA-N 0 0 345.398 3.658 10 0 EHAERN CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccccc2F)cc1 ZINC000013835048 560220768 /nfs/dbraw/zinc/22/07/68/560220768.db2.gz CECANHFDVPUVMI-CQSZACIVSA-N 0 0 335.444 3.924 10 0 in-vitro EHAERN COC(=O)c1ccccc1NC(=S)N(Cc1cccs1)C1CC1 ZINC000006288474 563564160 /nfs/dbraw/zinc/56/41/60/563564160.db2.gz LYYURGUVBDQGLV-UHFFFAOYSA-N 0 0 346.477 3.896 10 0 EHAERN COc1ccc(OC)c(-c2ncnn2-c2cccc(Cl)c2C)c1 ZINC000000180974 563825335 /nfs/dbraw/zinc/82/53/35/563825335.db2.gz FWGWKNDERZIZPN-UHFFFAOYSA-N 0 0 329.787 3.913 10 0 EHAERN c1cc2ccc(CN3CCCC[C@H]3c3nncn3CC3CC3)cc2[nH]1 ZINC000097941512 563950971 /nfs/dbraw/zinc/95/09/71/563950971.db2.gz MOGPPGPAHDAQMU-IBGZPJMESA-N 0 0 335.455 3.897 10 0 EHAERN CC(C)CNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000064526633 563956718 /nfs/dbraw/zinc/95/67/18/563956718.db2.gz MXTJWUBLOPELIK-UHFFFAOYSA-N 0 0 336.435 3.743 10 0 EHAERN CCOc1ccc(F)cc1[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000071790539 563965836 /nfs/dbraw/zinc/96/58/36/563965836.db2.gz DBOMOTFAXBHSNK-ZDUSSCGKSA-N 0 0 337.391 3.518 10 0 EHAERN Cc1nnc([C@H]2CCCCN2Cc2ncc(Cl)cc2Cl)[nH]1 ZINC000408473371 563992489 /nfs/dbraw/zinc/99/24/89/563992489.db2.gz YXEBBVFLCHTXGG-CYBMUJFWSA-N 0 0 326.231 3.542 10 0 EHAERN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccnc2)[nH]n1 ZINC000074629971 564078891 /nfs/dbraw/zinc/07/88/91/564078891.db2.gz RHHOUGNWQVRVKZ-UHFFFAOYSA-N 0 0 332.285 3.743 10 0 EHAERN O=S(=O)(N[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1)c1ccccc1 ZINC000006809500 564098428 /nfs/dbraw/zinc/09/84/28/564098428.db2.gz LJLCJSJAIDMDPZ-ROUUACIJSA-N 0 0 348.443 3.527 10 0 EHAERN C[C@H](NC(=O)c1nnc(Cc2ccccc2Cl)o1)c1ccccc1 ZINC000006822422 564098823 /nfs/dbraw/zinc/09/88/23/564098823.db2.gz HERQOKDYSFMRMY-LBPRGKRZSA-N 0 0 341.798 3.805 10 0 EHAERN O=C(NC[C@@]1(c2ccccc2)CCCOCC1)c1ccc(F)cc1 ZINC000065226136 564103101 /nfs/dbraw/zinc/10/31/01/564103101.db2.gz PMHTZKNOLYBYPY-HXUWFJFHSA-N 0 0 327.399 3.694 10 0 EHAERN CNC(=O)c1ccccc1C1(O)c2ccccc2C=Cc2ccccc21 ZINC000048524622 564129315 /nfs/dbraw/zinc/12/93/15/564129315.db2.gz HVSMTCFEMMNYLC-UHFFFAOYSA-N 0 0 341.410 3.814 10 0 EHAERN CC(C)c1nc(CN2CCC[C@@H](Nc3ccc(N)nc3)CC2)cs1 ZINC000328626907 564137041 /nfs/dbraw/zinc/13/70/41/564137041.db2.gz FPGQGCJYLLBUSX-CQSZACIVSA-N 0 0 345.516 3.541 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C[C@@H](C)C3CCCCC3)C2)n1 ZINC000116772974 1014274189 /nfs/dbraw/zinc/27/41/89/1014274189.db2.gz DKMSSDOHMFRYJX-CRAIPNDOSA-N 0 0 346.519 3.740 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]CCC2(F)CCC2)c(Br)c1 ZINC000705371400 977276048 /nfs/dbraw/zinc/27/60/48/977276048.db2.gz HLDQZRVXZNWUEP-UHFFFAOYSA-N 0 0 330.197 3.519 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]C[C@H]2CCCC23CC3)c(Br)c1 ZINC000706232103 977310799 /nfs/dbraw/zinc/31/07/99/977310799.db2.gz DBRDDRJTUOLGPE-CYBMUJFWSA-N 0 0 338.245 3.817 10 0 EHAERN O=C([O-])[C@]12C[N@H+](Cc3ccsc3Br)C[C@H]1CCCC2 ZINC000715781460 977784061 /nfs/dbraw/zinc/78/40/61/977784061.db2.gz PSVGSHLMWMCNQM-BXUZGUMPSA-N 0 0 344.274 3.587 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCCO[C@@H]3CC(C)C)nc21 ZINC000187489531 1015259989 /nfs/dbraw/zinc/25/99/89/1015259989.db2.gz AXAGWBOPPMWDEY-DOTOQJQBSA-N 0 0 343.471 3.514 10 0 EHAERN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)C[C@H](C)C(C)C ZINC000117708039 1015701807 /nfs/dbraw/zinc/70/18/07/1015701807.db2.gz CQXXUKJUFPBQDX-RDJZCZTQSA-N 0 0 346.471 3.615 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CC(C)(C)C1 ZINC000275306452 1016349555 /nfs/dbraw/zinc/34/95/55/1016349555.db2.gz BBXACJFIFJXJCG-NRSFXHEJSA-N 0 0 330.472 3.880 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H]2CCO[C@H]2C2CC2)o1 ZINC000408014133 1016917725 /nfs/dbraw/zinc/91/77/25/1016917725.db2.gz JDNDTCLWZRLGML-JHMUCCBASA-N 0 0 332.444 3.638 10 0 EHAERN CCCCOCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000118343404 1032204508 /nfs/dbraw/zinc/20/45/08/1032204508.db2.gz SJQMGXIBZWDBJL-KRWDZBQOSA-N 0 0 341.455 3.599 10 0 EHAERN CC(C)(C)OC(=O)C1CCC(Nc2cccc3c2OCC[C@H]3O)CC1 ZINC000184567839 1032296327 /nfs/dbraw/zinc/29/63/27/1032296327.db2.gz QDDVMQCVQJPFIA-MQBCKMQZSA-N 0 0 347.455 3.815 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184458580 1032302175 /nfs/dbraw/zinc/30/21/75/1032302175.db2.gz FLHVWWMYVHFVTB-OAHLLOKOSA-N 0 0 331.395 3.506 10 0 EHAERN CC(C)(C)c1csc([C@@H]2CN(C[C@@H]3CCC(C)(C)O3)CCO2)n1 ZINC000184674678 1032315589 /nfs/dbraw/zinc/31/55/89/1032315589.db2.gz UYDACECJNOPMOA-KBPBESRZSA-N 0 0 338.517 3.772 10 0 EHAERN CSc1cccc(C)c1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184985933 1032350963 /nfs/dbraw/zinc/35/09/63/1032350963.db2.gz VJQOZOHINCRAJK-LBPRGKRZSA-N 0 0 331.445 3.594 10 0 EHAERN CC1CCC(O)(CS(=O)(=O)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000182384318 1017089426 /nfs/dbraw/zinc/08/94/26/1017089426.db2.gz YFBYGFSEBNDZHH-PTXATLKXSA-N 0 0 342.888 3.683 10 0 EHAERN Cc1cccc2c1ncnc2N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000408032331 1017247326 /nfs/dbraw/zinc/24/73/26/1017247326.db2.gz VHLIDEZUJZZWBF-KRWDZBQOSA-N 0 0 333.439 3.882 10 0 EHAERN Cc1ccc2c(c1)[C@H](NC(=O)NCC1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000332984713 1017282373 /nfs/dbraw/zinc/28/23/73/1017282373.db2.gz ZJNIFZWRWOVDMG-SPYBWZPUSA-N 0 0 330.472 3.875 10 0 EHAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)NC12CC3CC(CC(C3)C1)C2 ZINC000074831752 1017998573 /nfs/dbraw/zinc/99/85/73/1017998573.db2.gz OCPHAQSHAAQFCE-ZBLKQVMWSA-N 0 0 342.487 3.635 10 0 EHAERN CC(C)(C)CC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000052166650 1018771538 /nfs/dbraw/zinc/77/15/38/1018771538.db2.gz QJMMSTDCILPGNH-UHFFFAOYSA-N 0 0 343.393 3.575 10 0 EHAERN O=C1CC[C@H](NCc2nc(-c3cccc(Cl)c3)no2)C2(CCC2)N1 ZINC000328721376 1019228276 /nfs/dbraw/zinc/22/82/76/1019228276.db2.gz WURSYUZRBCSLKZ-ZDUSSCGKSA-N 0 0 346.818 3.521 10 0 EHAERN CC(C)n1cc2ccc(NC(=O)[C@@]34CC[C@@H](CC3=O)C4(C)C)cc2n1 ZINC000333510054 1019813325 /nfs/dbraw/zinc/81/33/25/1019813325.db2.gz FBFRFXPTZIYGKQ-VBKZILBWSA-N 0 0 339.439 3.951 10 0 EHAERN CN(c1ccccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000120933574 1021137460 /nfs/dbraw/zinc/13/74/60/1021137460.db2.gz XIFVZGWLGANGOA-KXBFYZLASA-N 0 0 345.487 3.738 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c2ccccc21 ZINC000246528584 1021213895 /nfs/dbraw/zinc/21/38/95/1021213895.db2.gz CLBKFYKBDFOVJI-HWDJUHOGSA-N 0 0 328.456 3.882 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000246570882 1021599527 /nfs/dbraw/zinc/59/95/27/1021599527.db2.gz VMTOEJFVHKRETI-RVKKMQEKSA-N 0 0 341.455 3.998 10 0 EHAERN O=C(c1csc(C2CCCCC2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000334059916 1021936661 /nfs/dbraw/zinc/93/66/61/1021936661.db2.gz YCFUNPZSYMACFM-KXBFYZLASA-N 0 0 348.512 3.958 10 0 EHAERN O=C(NCc1ccc(C2CCCCC2)cc1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000334066738 1021938526 /nfs/dbraw/zinc/93/85/26/1021938526.db2.gz DLYYAKAUUXSMFF-XUVXKRRUSA-N 0 0 342.483 3.647 10 0 EHAERN COCCCCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000102246781 1022272619 /nfs/dbraw/zinc/27/26/19/1022272619.db2.gz GNULPNGHHXDYKT-UHFFFAOYSA-N 0 0 342.277 3.660 10 0 EHAERN CC[C@@H]1COCCN1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123555506 1022405797 /nfs/dbraw/zinc/40/57/97/1022405797.db2.gz HPBLJYDKMZCOIZ-WBVHZDCISA-N 0 0 344.455 3.643 10 0 EHAERN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCOc3ccccc32)c2ccccc2O1 ZINC000333863028 1022428310 /nfs/dbraw/zinc/42/83/10/1022428310.db2.gz SCAWTWNWJXIFNO-XOKHGSTOSA-N 0 0 338.407 3.722 10 0 EHAERN O=C(/C=C\c1ccncn1)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000588440147 1022455832 /nfs/dbraw/zinc/45/58/32/1022455832.db2.gz DRNVNDAEFRQVDM-ZRUQZJFASA-N 0 0 342.704 3.990 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)[nH]1 ZINC000328759352 1022482244 /nfs/dbraw/zinc/48/22/44/1022482244.db2.gz WJQDQNJVPHVBCX-JYJNAYRXSA-N 0 0 344.846 3.624 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000588452005 1023022425 /nfs/dbraw/zinc/02/24/25/1023022425.db2.gz GXGOVORZZXXKIR-FPLPWBNLSA-N 0 0 336.313 3.983 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000588453392 1023049508 /nfs/dbraw/zinc/04/95/08/1023049508.db2.gz SHAKXQGUPBYXIX-CMUBDUJZSA-N 0 0 330.815 3.640 10 0 EHAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC(C)(C)C1 ZINC000180106317 1023252875 /nfs/dbraw/zinc/25/28/75/1023252875.db2.gz GZKCYLJATRQSTF-KBMXLJTQSA-N 0 0 344.503 3.851 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1c(F)c(F)cc(F)c1F ZINC000588462170 1023268863 /nfs/dbraw/zinc/26/88/63/1023268863.db2.gz BUVFNCLNJHHVQT-WAYWQWQTSA-N 0 0 349.280 3.795 10 0 EHAERN O=C([C@@H]1CCCc2c(O)cccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000190285738 1023279954 /nfs/dbraw/zinc/27/99/54/1023279954.db2.gz DMMMYFGXWNMCMW-CZUORRHYSA-N 0 0 342.464 3.675 10 0 EHAERN CC[C@@]1(C)Oc2ccc(NC(=O)N(C)[C@H](C)c3cnn(C)c3)cc2O1 ZINC000190425151 1023286394 /nfs/dbraw/zinc/28/63/94/1023286394.db2.gz WKDJFXSWLJPKAC-XIKOKIGWSA-N 0 0 344.415 3.542 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000190438418 1023286556 /nfs/dbraw/zinc/28/65/56/1023286556.db2.gz APENYTZSNGTRRC-LSDHHAIUSA-N 0 0 341.459 3.557 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c2ccccc2O1 ZINC000152525491 1023560755 /nfs/dbraw/zinc/56/07/55/1023560755.db2.gz BKVJYVIXZTWUKK-WCXIOVBPSA-N 0 0 344.455 3.546 10 0 EHAERN CCC[C@@]1(C)NC(=O)N(Cc2ncc(-c3ccccc3Cl)o2)C1=O ZINC000150893197 1023981257 /nfs/dbraw/zinc/98/12/57/1023981257.db2.gz IBSYKMIXKMXOPE-QGZVFWFLSA-N 0 0 347.802 3.606 10 0 EHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000588613332 1033179690 /nfs/dbraw/zinc/17/96/90/1033179690.db2.gz MDCLBHLZOQORFQ-IEHMKBBKSA-N 0 0 326.223 3.834 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000093282487 1024096944 /nfs/dbraw/zinc/09/69/44/1024096944.db2.gz GUELNDMDHGMEPY-QWRGUYRKSA-N 0 0 332.370 3.881 10 0 EHAERN O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCC[C@H](c2nccs2)C1 ZINC000157034483 1024112233 /nfs/dbraw/zinc/11/22/33/1024112233.db2.gz XCSVQFKXJSYHPI-GJZGRUSLSA-N 0 0 349.500 3.524 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000281176629 1024308150 /nfs/dbraw/zinc/30/81/50/1024308150.db2.gz LOGJTEZXUPNNKP-KANFNMMFSA-N 0 0 330.472 3.781 10 0 EHAERN Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2ccccc21 ZINC000280914317 1024431593 /nfs/dbraw/zinc/43/15/93/1024431593.db2.gz DOGHLYLZOVXMPC-HKUYNNGSSA-N 0 0 338.455 3.734 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CCC3)CCO2)o1 ZINC000151720075 1024495995 /nfs/dbraw/zinc/49/59/95/1024495995.db2.gz TYHFTGJZTPXHDP-LJQANCHMSA-N 0 0 339.435 3.901 10 0 EHAERN CCO[C@@H]1C[C@@H](OC(=O)/C(C)=C\c2ccc(C)cc2)C12CCOCC2 ZINC000588492883 1024933651 /nfs/dbraw/zinc/93/36/51/1024933651.db2.gz HGSKNSHIAWRZSK-WREUSQSKSA-N 0 0 344.451 3.916 10 0 EHAERN O=C1N[C@H](CC2CC2)C(=O)N1[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330353979 1025101480 /nfs/dbraw/zinc/10/14/80/1025101480.db2.gz PBQOZUWKYHSPHC-CVEARBPZSA-N 0 0 340.423 3.748 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)CCO2)o1 ZINC000121572558 1025511169 /nfs/dbraw/zinc/51/11/69/1025511169.db2.gz CBKZCQUAMSDFTF-KSSFIOAISA-N 0 0 346.402 3.880 10 0 EHAERN Cc1nc(-c2ccc(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)cc2)n[nH]1 ZINC000329310945 1025744889 /nfs/dbraw/zinc/74/48/89/1025744889.db2.gz GAOCYCHFADTCCU-ROUUACIJSA-N 0 0 338.455 3.726 10 0 EHAERN O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1csc(-c2ccsc2)n1 ZINC000121765772 1025763226 /nfs/dbraw/zinc/76/32/26/1025763226.db2.gz GURBNDYYZCMGDK-JSGCOSHPSA-N 0 0 334.466 3.559 10 0 EHAERN O=C1NC2(CCCC2)C(=O)N1[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329369315 1025786871 /nfs/dbraw/zinc/78/68/71/1025786871.db2.gz LMPUUNXBQFTPTQ-OAHLLOKOSA-N 0 0 340.423 3.892 10 0 EHAERN CC(C)C[C@@H](CO)N(C)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 ZINC000588511798 1025797880 /nfs/dbraw/zinc/79/78/80/1025797880.db2.gz PUCSRMTUMJZSGJ-JJEJIETFSA-N 0 0 346.858 3.767 10 0 EHAERN CC(C)(O)c1ccc(CNC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000588511950 1025826352 /nfs/dbraw/zinc/82/63/52/1025826352.db2.gz LWNWLKIVZGQLFP-ARJAWSKDSA-N 0 0 327.399 3.773 10 0 EHAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000103206826 1026057393 /nfs/dbraw/zinc/05/73/93/1026057393.db2.gz SHSCUPWZUNKQNF-RTBURBONSA-N 0 0 344.499 3.676 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cc(Br)c[nH]3)c21 ZINC000103129297 1026065768 /nfs/dbraw/zinc/06/57/68/1026065768.db2.gz WNQASIKVXGDOLD-UHFFFAOYSA-N 0 0 346.228 3.539 10 0 EHAERN COc1ccccc1CCN(C)C(=O)CCCOc1ccccc1F ZINC000104460206 1026257692 /nfs/dbraw/zinc/25/76/92/1026257692.db2.gz PLHSHHBXCRGPHN-UHFFFAOYSA-N 0 0 345.414 3.694 10 0 EHAERN Cc1cccc([C@H](Nc2cc(=O)n3ccccc3n2)c2ccccn2)c1 ZINC000123066143 1026946758 /nfs/dbraw/zinc/94/67/58/1026946758.db2.gz PFWOOMUMMLNQNY-NRFANRHFSA-N 0 0 342.402 3.599 10 0 EHAERN O=C(C1CCCCC1)N1CC[C@@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000301982602 1027015604 /nfs/dbraw/zinc/01/56/04/1027015604.db2.gz YEVFPUSCPSZVJW-CQSZACIVSA-N 0 0 348.878 3.601 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(COC)o2)cn1 ZINC000125829835 1027130356 /nfs/dbraw/zinc/13/03/56/1027130356.db2.gz SNOWPIMZTSZFQK-OAHLLOKOSA-N 0 0 345.399 3.589 10 0 EHAERN CC(C)(C)c1nnc2ccc(N3CC=C(c4cccs4)CC3)nn21 ZINC000302571505 1027203028 /nfs/dbraw/zinc/20/30/28/1027203028.db2.gz PRUOBLMHNXTHEO-UHFFFAOYSA-N 0 0 339.468 3.777 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1OCC(F)F ZINC000123409116 1027296142 /nfs/dbraw/zinc/29/61/42/1027296142.db2.gz NUNOITNNQLPBMW-GTNSWQLSSA-N 0 0 333.334 3.834 10 0 EHAERN CCCc1cc(NC(=O)N2CC=C(c3ccccc3F)CC2)n(C)n1 ZINC000127881196 1027365524 /nfs/dbraw/zinc/36/55/24/1027365524.db2.gz OCHZSAYJFZAUBR-UHFFFAOYSA-N 0 0 342.418 3.833 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2ccc(Cl)c(C)c2)c2ccccc2)[nH]1 ZINC000128185497 1027403837 /nfs/dbraw/zinc/40/38/37/1027403837.db2.gz XVHQKYSYIFSGLO-INIZCTEOSA-N 0 0 340.814 3.594 10 0 EHAERN Cn1cnnc1[C@H]1CCCN1C(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000130448496 1027669195 /nfs/dbraw/zinc/66/91/95/1027669195.db2.gz SVYYZYMQKATJHN-OCCSQVGLSA-N 0 0 347.488 3.511 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000130525900 1027677929 /nfs/dbraw/zinc/67/79/29/1027677929.db2.gz JPSAVGQCTRKPEC-NLCWTHGUSA-N 0 0 337.419 3.588 10 0 EHAERN O=C(NCCC[C@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 ZINC000130695011 1027695671 /nfs/dbraw/zinc/69/56/71/1027695671.db2.gz LFDWDRQIFWGAAP-QGZVFWFLSA-N 0 0 346.446 3.974 10 0 EHAERN CC[C@H](SC)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131097069 1027736162 /nfs/dbraw/zinc/73/61/62/1027736162.db2.gz RSHKVTBARVSUHJ-WBVHZDCISA-N 0 0 343.496 3.924 10 0 EHAERN CCSc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000246183184 1027899301 /nfs/dbraw/zinc/89/93/01/1027899301.db2.gz SOZUQRUDSUGDQO-ARFHVFGLSA-N 0 0 332.469 3.878 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(SC(F)F)cc1 ZINC000246171842 1027904623 /nfs/dbraw/zinc/90/46/23/1027904623.db2.gz RRTOXZXGSWAYAY-BFHYXJOUSA-N 0 0 339.407 3.689 10 0 EHAERN CC[C@@H]1CCCC[C@H]1NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112744384 1027954296 /nfs/dbraw/zinc/95/42/96/1027954296.db2.gz USFVCKRMOWBSIL-HUUCEWRRSA-N 0 0 332.492 3.580 10 0 EHAERN Cc1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccc1F ZINC000133335332 1028020041 /nfs/dbraw/zinc/02/00/41/1028020041.db2.gz BSBDKDDEAYLLCZ-UHFFFAOYSA-N 0 0 333.432 3.986 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(C)n(C4CC4)c3C)CCO2)o1 ZINC000133609239 1028049930 /nfs/dbraw/zinc/04/99/30/1028049930.db2.gz OZPNJBSRKOGEKR-GOSISDBHSA-N 0 0 328.412 3.555 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3cccc(OC(C)C)c3)CCO2)o1 ZINC000133720495 1028058783 /nfs/dbraw/zinc/05/87/83/1028058783.db2.gz UJLQAKYCSIHBEM-IBGZPJMESA-N 0 0 343.423 3.518 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CCO2)o1 ZINC000133951153 1028083032 /nfs/dbraw/zinc/08/30/32/1028083032.db2.gz NDULDYGLLRMUJW-HNNXBMFYSA-N 0 0 339.313 3.821 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000134598012 1028131850 /nfs/dbraw/zinc/13/18/50/1028131850.db2.gz APKMNNGXYNKJIG-DYVFJYSZSA-N 0 0 345.830 3.659 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2nc(C)cs2)cc1 ZINC000053452539 1028181346 /nfs/dbraw/zinc/18/13/46/1028181346.db2.gz OXQAFOUEMLMJQB-OAHLLOKOSA-N 0 0 348.493 3.916 10 0 EHAERN Cc1ccc(CC(=O)N2CC=C(c3ccccc3F)CC2)cc1O ZINC000137332847 1028310370 /nfs/dbraw/zinc/31/03/70/1028310370.db2.gz HVFQCZSEYKYZAB-UHFFFAOYSA-N 0 0 325.383 3.698 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@@H](C)c3ccncc3)nc2c1 ZINC000140050375 1028399441 /nfs/dbraw/zinc/39/94/41/1028399441.db2.gz WJKWYEOUFKREIY-KSSFIOAISA-N 0 0 349.438 3.874 10 0 EHAERN C[C@@H](NC(=O)/C=C\c1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000588562670 1028467510 /nfs/dbraw/zinc/46/75/10/1028467510.db2.gz WFUGHZWDOHGDRV-QMAVJUDZSA-N 0 0 346.418 3.540 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000072606185 1028509032 /nfs/dbraw/zinc/50/90/32/1028509032.db2.gz MWHZOGMBQCDUAU-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN O=C(OCc1cnc(-c2cccs2)o1)[C@@H]1CCCc2cccnc21 ZINC000194409122 1028516165 /nfs/dbraw/zinc/51/61/65/1028516165.db2.gz MBKUETPITDYJJU-CQSZACIVSA-N 0 0 340.404 3.961 10 0 EHAERN CN(C(=O)[C@@H]1CCCc2cccnc21)c1ccc(-c2ccccc2)nn1 ZINC000194642753 1028528753 /nfs/dbraw/zinc/52/87/53/1028528753.db2.gz ZVGPADATXDKVAV-QGZVFWFLSA-N 0 0 344.418 3.622 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000073616836 1028565177 /nfs/dbraw/zinc/56/51/77/1028565177.db2.gz NJRMMEBWQVKGGF-NSHDSACASA-N 0 0 333.819 3.627 10 0 EHAERN c1csc([C@H](NCc2ncc(-c3ccccc3)cn2)c2ncc[nH]2)c1 ZINC000195118046 1028580634 /nfs/dbraw/zinc/58/06/34/1028580634.db2.gz OUAFYFKZFNNWEO-SFHVURJKSA-N 0 0 347.447 3.807 10 0 EHAERN Cc1c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cccc1-c1ccccn1 ZINC000246505777 1028638103 /nfs/dbraw/zinc/63/81/03/1028638103.db2.gz KHPYRXXPWDBIDW-MISYRCLQSA-N 0 0 348.446 3.744 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)[C@@H](C)C1 ZINC000246617231 1028670974 /nfs/dbraw/zinc/67/09/74/1028670974.db2.gz BPTDKURRXMOCGX-YCPHGPKFSA-N 0 0 348.512 3.541 10 0 EHAERN Cc1ccc([C@H]2CN([C@H](C)c3nc(-c4ccccc4)no3)CCO2)o1 ZINC000246780940 1028692704 /nfs/dbraw/zinc/69/27/04/1028692704.db2.gz PGLXJDMALRRTCV-RHSMWYFYSA-N 0 0 339.395 3.773 10 0 EHAERN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246966287 1028720586 /nfs/dbraw/zinc/72/05/86/1028720586.db2.gz NJMXJXDRKSSOSM-BFYDXBDKSA-N 0 0 346.352 3.725 10 0 EHAERN COc1ccc2c(CC(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)coc2c1 ZINC000247013098 1028726748 /nfs/dbraw/zinc/72/67/48/1028726748.db2.gz QOTFYSWOYDQSEX-WOIUINJBSA-N 0 0 347.414 3.686 10 0 EHAERN CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247106107 1028745026 /nfs/dbraw/zinc/74/50/26/1028745026.db2.gz YQUSMILLPCABQK-RBSFLKMASA-N 0 0 343.858 3.513 10 0 EHAERN C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000247124204 1028749556 /nfs/dbraw/zinc/74/95/56/1028749556.db2.gz WVLFBPGBTTTYMK-BZZMCLGOSA-N 0 0 328.456 3.737 10 0 EHAERN Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247375621 1028785402 /nfs/dbraw/zinc/78/54/02/1028785402.db2.gz KVXCSXFGKPIQLX-UXLLHSPISA-N 0 0 342.464 3.806 10 0 EHAERN Cc1csc(-c2cccc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)c2)n1 ZINC000247561994 1028801575 /nfs/dbraw/zinc/80/15/75/1028801575.db2.gz RTNPIDSHRGIDRF-GVDBMIGSSA-N 0 0 342.464 3.806 10 0 EHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)OC[C@H]1CCCCO1 ZINC000247803356 1028817417 /nfs/dbraw/zinc/81/74/17/1028817417.db2.gz XBGHFWOVYREESQ-OAHLLOKOSA-N 0 0 333.359 3.526 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)CCO1 ZINC000248522869 1028883963 /nfs/dbraw/zinc/88/39/63/1028883963.db2.gz BYGYYPRBDSAAQF-ZNWBIBPKSA-N 0 0 345.483 3.995 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@H]2CCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000249054363 1028983526 /nfs/dbraw/zinc/98/35/26/1028983526.db2.gz XGVRFASMMMBZQG-OHNRDTAOSA-N 0 0 346.446 3.562 10 0 EHAERN CCCc1nc(CN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)no1 ZINC000249390471 1029000700 /nfs/dbraw/zinc/00/07/00/1029000700.db2.gz QVFPMOYCTLXRCL-DOMZBBRYSA-N 0 0 335.835 3.638 10 0 EHAERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C1(C)CC1 ZINC000154260669 1029075958 /nfs/dbraw/zinc/07/59/58/1029075958.db2.gz OGOCCLZSMZPZMH-BXUZGUMPSA-N 0 0 338.245 3.538 10 0 EHAERN CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)C1 ZINC000252692266 1029227845 /nfs/dbraw/zinc/22/78/45/1029227845.db2.gz UEBRQRQWXXZUNU-KPFFTGBYSA-N 0 0 342.483 3.553 10 0 EHAERN CCCn1c(C)nnc1CN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245802682 1029318653 /nfs/dbraw/zinc/31/86/53/1029318653.db2.gz PNEYKGQZZSBNAR-VQIMIIECSA-N 0 0 342.487 3.575 10 0 EHAERN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000248469152 1029379738 /nfs/dbraw/zinc/37/97/38/1029379738.db2.gz GUDUDGIJFIPXHZ-XYJFISCASA-N 0 0 343.471 3.578 10 0 EHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000245857866 1029387273 /nfs/dbraw/zinc/38/72/73/1029387273.db2.gz CTFURKXFKZNNFF-ZHALLVOQSA-N 0 0 343.515 3.625 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)[C@@H]2CCCc3c2cnn3C)o1 ZINC000155106607 1029425705 /nfs/dbraw/zinc/42/57/05/1029425705.db2.gz ZITXLMHXWLXMDY-QJKMADPASA-N 0 0 339.439 3.686 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)c2cc(N)ccc2C)c(OC)c1 ZINC000262345363 1029587625 /nfs/dbraw/zinc/58/76/25/1029587625.db2.gz HPCVYACNTFFFFG-SFHVURJKSA-N 0 0 340.423 3.572 10 0 EHAERN COc1cc(C)ccc1CNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000155710684 1029629635 /nfs/dbraw/zinc/62/96/35/1029629635.db2.gz JQOGEELASYDRQY-OAHLLOKOSA-N 0 0 345.468 3.549 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H]1C1CCC1 ZINC000155749166 1029643380 /nfs/dbraw/zinc/64/33/80/1029643380.db2.gz AOFKOZWCHUZSLU-MRXNPFEDSA-N 0 0 333.501 3.691 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1SCCc2sccc21 ZINC000079898840 1029763406 /nfs/dbraw/zinc/76/34/06/1029763406.db2.gz QYTPFVGMLRDUQI-AWEZNQCLSA-N 0 0 343.433 3.767 10 0 EHAERN CCOc1cccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114821982 1029853494 /nfs/dbraw/zinc/85/34/94/1029853494.db2.gz LOMDLVJTOXJHIH-OAHLLOKOSA-N 0 0 345.468 3.631 10 0 EHAERN CCc1onc(C)c1NC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000089419372 1029906133 /nfs/dbraw/zinc/90/61/33/1029906133.db2.gz XLMSQPFSVQHILN-SWLSCSKDSA-N 0 0 343.427 3.964 10 0 EHAERN CC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1C ZINC000089446735 1029911788 /nfs/dbraw/zinc/91/17/88/1029911788.db2.gz NPTCARGBZXXTIK-SFHVURJKSA-N 0 0 342.395 3.704 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000092993432 1030547833 /nfs/dbraw/zinc/54/78/33/1030547833.db2.gz SGVLEQHTVPKNJD-SFHVURJKSA-N 0 0 335.451 3.708 10 0 EHAERN C[C@H](Nc1cccc(-c2cnco2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000193910031 1030625537 /nfs/dbraw/zinc/62/55/37/1030625537.db2.gz AZBWOHHAFRLSGW-ZDUSSCGKSA-N 0 0 342.420 3.918 10 0 EHAERN C[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000170883034 1030709913 /nfs/dbraw/zinc/70/99/13/1030709913.db2.gz LWSKOERLNIWBPD-DNVCBOLYSA-N 0 0 332.407 3.626 10 0 EHAERN CCSc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)ccn1 ZINC000171615952 1030766535 /nfs/dbraw/zinc/76/65/35/1030766535.db2.gz QESNZMMJYYRETL-UHFFFAOYSA-N 0 0 341.480 3.684 10 0 EHAERN CSc1ccsc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171611084 1030799926 /nfs/dbraw/zinc/79/99/26/1030799926.db2.gz FLGRIAGFZYKZSA-UHFFFAOYSA-N 0 0 332.494 3.960 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000172039571 1030865490 /nfs/dbraw/zinc/86/54/90/1030865490.db2.gz ZJUXQEZWTZGNTH-MEBBXXQBSA-N 0 0 325.393 3.641 10 0 EHAERN COc1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)cc1F ZINC000172223548 1030872395 /nfs/dbraw/zinc/87/23/95/1030872395.db2.gz UREGYXSNPRXUPL-UHFFFAOYSA-N 0 0 346.427 3.895 10 0 EHAERN COc1ccc(OC)c(CCC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116046186 1030985265 /nfs/dbraw/zinc/98/52/65/1030985265.db2.gz VPSJRJBTZZCCRU-INIZCTEOSA-N 0 0 329.396 3.593 10 0 EHAERN Cc1c(C(=O)N2CCC[C@@H]2c2ccccc2)cccc1N1CCNC1=O ZINC000173005503 1031044125 /nfs/dbraw/zinc/04/41/25/1031044125.db2.gz YHEOBFYYFGCGSA-LJQANCHMSA-N 0 0 349.434 3.502 10 0 EHAERN CC(=O)c1csc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174069428 1031160559 /nfs/dbraw/zinc/16/05/59/1031160559.db2.gz QQRVDPHFCYPETE-UHFFFAOYSA-N 0 0 346.427 3.807 10 0 EHAERN O=C(c1ccc[nH]c1=S)N1CCC(Nc2ccccc2F)CC1 ZINC000174084788 1031164105 /nfs/dbraw/zinc/16/41/05/1031164105.db2.gz IBLBGDHYDFPQQW-UHFFFAOYSA-N 0 0 331.416 3.600 10 0 EHAERN O=C(c1ccc(F)c(F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174085402 1031164684 /nfs/dbraw/zinc/16/46/84/1031164684.db2.gz DPNFYSRMSXQHHL-UHFFFAOYSA-N 0 0 334.341 3.821 10 0 EHAERN CCc1nc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)sc1C ZINC000174888451 1031288144 /nfs/dbraw/zinc/28/81/44/1031288144.db2.gz QTGQGIUXVLEXAD-KGLIPLIRSA-N 0 0 333.461 3.516 10 0 EHAERN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(Cc2nccn2C)CC1 ZINC000175198513 1031311728 /nfs/dbraw/zinc/31/17/28/1031311728.db2.gz SPJVEYKBKLMQAH-AWEZNQCLSA-N 0 0 330.476 3.721 10 0 EHAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000175702367 1031331079 /nfs/dbraw/zinc/33/10/79/1031331079.db2.gz MDQBWPQJZRJYTH-RBUKOAKNSA-N 0 0 348.406 3.728 10 0 EHAERN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Cl)Cl)[C@@H](c2ccccc2)CO1 ZINC000175434143 1031334046 /nfs/dbraw/zinc/33/40/46/1031334046.db2.gz GSTYYPGNUQAUQL-KYOSRNDESA-N 0 0 328.239 3.559 10 0 EHAERN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Cl)Cl)[C@H](c2ccccc2)CO1 ZINC000175434099 1031335204 /nfs/dbraw/zinc/33/52/04/1031335204.db2.gz GSTYYPGNUQAUQL-ZLDLUXBVSA-N 0 0 328.239 3.559 10 0 EHAERN O[C@H](C[C@H]1CCCN1Cc1cn2ccsc2n1)c1cccs1 ZINC000175816051 1031385817 /nfs/dbraw/zinc/38/58/17/1031385817.db2.gz JJSFCOFVPHCRJD-ZIAGYGMSSA-N 0 0 333.482 3.545 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc4[nH]ccc4c3)CC2)nc1 ZINC000175843395 1031387655 /nfs/dbraw/zinc/38/76/55/1031387655.db2.gz DGEVJWFMMGJMME-UHFFFAOYSA-N 0 0 349.438 3.662 10 0 EHAERN COCCCOc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000176274831 1031420731 /nfs/dbraw/zinc/42/07/31/1031420731.db2.gz SJMADNLVUPRMGR-KUHUBIRLSA-N 0 0 341.407 3.605 10 0 EHAERN CS[C@H]1CCC[C@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176624878 1031466980 /nfs/dbraw/zinc/46/69/80/1031466980.db2.gz BRZNQERBEOPWAQ-KBPBESRZSA-N 0 0 331.485 3.594 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cc(=O)oc4cc(C)ccc34)CCO2)o1 ZINC000158622284 1031489000 /nfs/dbraw/zinc/48/90/00/1031489000.db2.gz KWWQJEBDRGNQRI-IBGZPJMESA-N 0 0 339.391 3.576 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2ccccc2O)cc1 ZINC000177279094 1031553682 /nfs/dbraw/zinc/55/36/82/1031553682.db2.gz FBVKPVKZVDHIKS-MRXNPFEDSA-N 0 0 343.448 3.857 10 0 EHAERN O=C(c1ncncc1Cl)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000177695258 1031589061 /nfs/dbraw/zinc/58/90/61/1031589061.db2.gz AZFZUMIXPXRHLI-UHFFFAOYSA-N 0 0 339.782 3.589 10 0 EHAERN CCSc1ccc(Cl)cc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178660830 1031712573 /nfs/dbraw/zinc/71/25/73/1031712573.db2.gz OZNQTUGATBVPQJ-RDJZCZTQSA-N 0 0 347.867 3.840 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000179041273 1031727352 /nfs/dbraw/zinc/72/73/52/1031727352.db2.gz OBFRNIWUVOXQFN-WMZOPIPTSA-N 0 0 340.810 3.518 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000117579688 1031756152 /nfs/dbraw/zinc/75/61/52/1031756152.db2.gz GNEADIZPCSWWOY-IAQYHMDHSA-N 0 0 339.313 3.735 10 0 EHAERN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117635213 1031784941 /nfs/dbraw/zinc/78/49/41/1031784941.db2.gz VIWNVZCORVANQZ-BMLIUANNSA-N 0 0 344.798 3.802 10 0 EHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@@H]1CCO[C@H]1C ZINC000179608292 1031792661 /nfs/dbraw/zinc/79/26/61/1031792661.db2.gz BFNXWYIIQUSNEL-GOEBONIOSA-N 0 0 326.444 3.569 10 0 EHAERN COC(=O)Nc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1F ZINC000180440462 1031851358 /nfs/dbraw/zinc/85/13/58/1031851358.db2.gz OWRYQFKJSIFPLD-WQVCFCJDSA-N 0 0 334.391 3.764 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cn(C)nc3-c3cccs3)CCO2)o1 ZINC000180643992 1031893817 /nfs/dbraw/zinc/89/38/17/1031893817.db2.gz HTHFMHFEBHMSSE-INIZCTEOSA-N 0 0 343.452 3.624 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc4ccccc4n3)CC2)nc1 ZINC000180849920 1031912354 /nfs/dbraw/zinc/91/23/54/1031912354.db2.gz DMJAETLOEQBHEG-UHFFFAOYSA-N 0 0 347.418 3.622 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc(C)ccc3F)CC2)nc1 ZINC000180858778 1031916422 /nfs/dbraw/zinc/91/64/22/1031916422.db2.gz IVDCONZKYMMNED-UHFFFAOYSA-N 0 0 328.387 3.521 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C3(C)CCCCCC3)CC2)nc1 ZINC000180913988 1031923886 /nfs/dbraw/zinc/92/38/86/1031923886.db2.gz DOIFBECBKJQVAY-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccnc4ccccc43)CC2)nc1 ZINC000181195277 1031951665 /nfs/dbraw/zinc/95/16/65/1031951665.db2.gz ANVJXQDIHVMAJU-UHFFFAOYSA-N 0 0 347.418 3.622 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1)c1ccncc1 ZINC000117957418 1031985315 /nfs/dbraw/zinc/98/53/15/1031985315.db2.gz SUEDIBDAAUKZCT-KXBFYZLASA-N 0 0 338.455 3.755 10 0 EHAERN Cc1cc(CCCC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)s1 ZINC000181183708 1031990510 /nfs/dbraw/zinc/99/05/10/1031990510.db2.gz GLZHFQQSUZSSOW-HNNXBMFYSA-N 0 0 332.473 3.560 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000181450889 1032027729 /nfs/dbraw/zinc/02/77/29/1032027729.db2.gz YMZIYOJAQGZBRV-KXBFYZLASA-N 0 0 348.450 3.506 10 0 EHAERN COc1nc(C(=O)Nc2cccc(-c3ncon3)c2)cc2ccccc21 ZINC000101524976 1033733294 /nfs/dbraw/zinc/73/32/94/1033733294.db2.gz XHQOOEQHCIOSLH-UHFFFAOYSA-N 0 0 346.346 3.546 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000083711889 1033891119 /nfs/dbraw/zinc/89/11/19/1033891119.db2.gz LFMFKKNFVAQDDQ-JSGCOSHPSA-N 0 0 347.488 3.570 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000120807630 1034169207 /nfs/dbraw/zinc/16/92/07/1034169207.db2.gz AGBUKXCJGXSEBW-GOEBONIOSA-N 0 0 342.443 3.883 10 0 EHAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H](C)c1ccncc1 ZINC000088479269 1034199457 /nfs/dbraw/zinc/19/94/57/1034199457.db2.gz FENNEHUTMIRCHY-YJBOKZPZSA-N 0 0 338.455 3.583 10 0 EHAERN COCc1ccc(C(=O)NCc2cccc(COC(C)(C)C)c2)o1 ZINC000101883075 1034306570 /nfs/dbraw/zinc/30/65/70/1034306570.db2.gz CCBINKKNCPPNIY-UHFFFAOYSA-N 0 0 331.412 3.671 10 0 EHAERN CC(C)=C(F)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000185807002 1035516515 /nfs/dbraw/zinc/51/65/15/1035516515.db2.gz UBNPVXQEMXZERS-UHFFFAOYSA-N 0 0 342.418 3.797 10 0 EHAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1nc2ccccc2n1C ZINC000186054034 1035574265 /nfs/dbraw/zinc/57/42/65/1035574265.db2.gz BUMBXQYFYZNBIJ-OAHLLOKOSA-N 0 0 343.434 3.881 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc2c(c1)OCCO2 ZINC000186539598 1035657228 /nfs/dbraw/zinc/65/72/28/1035657228.db2.gz LPFYWIZHFMLWNI-GFCCVEGCSA-N 0 0 339.395 3.608 10 0 EHAERN O=C(c1c[nH]nc1-c1ccsc1)N1CCC[C@@H](c2nccs2)C1 ZINC000186560524 1035659046 /nfs/dbraw/zinc/65/90/46/1035659046.db2.gz LDNFVVDREWFHBZ-LLVKDONJSA-N 0 0 344.465 3.615 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186638537 1035676503 /nfs/dbraw/zinc/67/65/03/1035676503.db2.gz VLDHMEMISWMOEC-XNJGSVPQSA-N 0 0 342.443 3.849 10 0 EHAERN COc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1F ZINC000186834226 1035712331 /nfs/dbraw/zinc/71/23/31/1035712331.db2.gz QLQQKDWYNZQVRX-GDBMZVCRSA-N 0 0 346.406 3.645 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187609363 1035850526 /nfs/dbraw/zinc/85/05/26/1035850526.db2.gz YKKYWGXDBUVOHM-HNNXBMFYSA-N 0 0 348.493 3.903 10 0 EHAERN COCCc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000189393306 1036063806 /nfs/dbraw/zinc/06/38/06/1036063806.db2.gz SNOQWTVDVWYVLL-HNNXBMFYSA-N 0 0 345.468 3.744 10 0 EHAERN O=C(Cc1ccccc1Cl)N1CC2(CCOCC2)c2ccccc21 ZINC000189823679 1036152772 /nfs/dbraw/zinc/15/27/72/1036152772.db2.gz QMKQSVBIHMMVDD-UHFFFAOYSA-N 0 0 341.838 3.978 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ncccc1C(F)(F)F ZINC000189942340 1036164957 /nfs/dbraw/zinc/16/49/57/1036164957.db2.gz KZBFSIIWTJEBDB-ZDUSSCGKSA-N 0 0 336.313 3.662 10 0 EHAERN Cn1cnc(-c2ccc(NC(=O)Nc3ccc4ccn(C)c4c3)cc2)n1 ZINC000190240052 1036211094 /nfs/dbraw/zinc/21/10/94/1036211094.db2.gz HBSDLDCNDDSHGX-UHFFFAOYSA-N 0 0 346.394 3.618 10 0 EHAERN Cc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1Cl ZINC000190371751 1036228955 /nfs/dbraw/zinc/22/89/55/1036228955.db2.gz HDIUHPLHBXAJJY-UHFFFAOYSA-N 0 0 335.860 3.822 10 0 EHAERN O=C(c1cc(Cl)ccc1F)N1CCC(Nc2nccs2)CC1 ZINC000190407061 1036235406 /nfs/dbraw/zinc/23/54/06/1036235406.db2.gz QJKGAZXKGMGHQO-UHFFFAOYSA-N 0 0 339.823 3.652 10 0 EHAERN O=C(CCc1cscn1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191198526 1036343716 /nfs/dbraw/zinc/34/37/16/1036343716.db2.gz HBYXPINVNQHVJR-LBPRGKRZSA-N 0 0 336.407 3.760 10 0 EHAERN O=CNc1ccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cc1 ZINC000191536202 1036412994 /nfs/dbraw/zinc/41/29/94/1036412994.db2.gz XMSRVHHPFZQMET-AWEZNQCLSA-N 0 0 344.361 3.553 10 0 EHAERN CN(Cc1cccnc1)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000102486610 1036536371 /nfs/dbraw/zinc/53/63/71/1036536371.db2.gz PUGACBHAVLINRR-UHFFFAOYSA-N 0 0 347.256 3.780 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCC[C@H]1CCO)c1ccc(C(C)(C)C)cc1 ZINC000249529027 1036622115 /nfs/dbraw/zinc/62/21/15/1036622115.db2.gz ZPABNKABLATYIO-ZVZYQTTQSA-N 0 0 332.488 3.895 10 0 EHAERN COc1ccc(-c2cncc(C(=O)Nc3cc(N)ccc3C)c2)cc1 ZINC000193459014 1036689751 /nfs/dbraw/zinc/68/97/51/1036689751.db2.gz JBRUYPXCLAPNPH-UHFFFAOYSA-N 0 0 333.391 3.900 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)n1 ZINC000102646774 1036737093 /nfs/dbraw/zinc/73/70/93/1036737093.db2.gz VJCCWUWHQDIPDZ-HNNXBMFYSA-N 0 0 344.480 3.933 10 0 EHAERN CCC(CC)N(CCOC)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000102902133 1036752108 /nfs/dbraw/zinc/75/21/08/1036752108.db2.gz KYSAZHQFEVVLNZ-ZDUSSCGKSA-N 0 0 340.439 3.742 10 0 EHAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000102726222 1036754558 /nfs/dbraw/zinc/75/45/58/1036754558.db2.gz AHVAXFTXQLQPRI-AWEZNQCLSA-N 0 0 346.477 3.665 10 0 EHAERN CN(C)C(=O)c1cccc(C(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000102985675 1036818114 /nfs/dbraw/zinc/81/81/14/1036818114.db2.gz XEBBUTOWOACBRP-UHFFFAOYSA-N 0 0 340.423 3.566 10 0 EHAERN Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000102987264 1036819410 /nfs/dbraw/zinc/81/94/10/1036819410.db2.gz HPXBBCCBYNQJBQ-HUUCEWRRSA-N 0 0 339.888 3.775 10 0 EHAERN Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1C(N)=O ZINC000103409557 1036906710 /nfs/dbraw/zinc/90/67/10/1036906710.db2.gz MVYIOIPJUCCXQP-UHFFFAOYSA-N 0 0 338.338 3.745 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103725149 1036933754 /nfs/dbraw/zinc/93/37/54/1036933754.db2.gz NQRFNHZJWQGJLE-UHFFFAOYSA-N 0 0 348.193 3.530 10 0 EHAERN COc1ccc(CNC(=O)CSc2ccnc3ccccc32)cc1 ZINC000103915155 1036969902 /nfs/dbraw/zinc/96/99/02/1036969902.db2.gz SMDJUCSJFZEXRV-UHFFFAOYSA-N 0 0 338.432 3.652 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000104990819 1037120364 /nfs/dbraw/zinc/12/03/64/1037120364.db2.gz VCPNIKLPAPSLQD-UHFFFAOYSA-N 0 0 339.395 3.851 10 0 EHAERN CCOc1cc2c(cc1NCc1nc(-c3ccoc3)no1)O[C@H](C)C2 ZINC000105607066 1037201425 /nfs/dbraw/zinc/20/14/25/1037201425.db2.gz WBECQXGXCGXNPZ-LLVKDONJSA-N 0 0 341.367 3.664 10 0 EHAERN Cn1c2ccc(Cl)cc2nc1NC(=O)CCCc1ccccn1 ZINC000104149716 1037228682 /nfs/dbraw/zinc/22/86/82/1037228682.db2.gz CTSFWPPQFVIZEU-UHFFFAOYSA-N 0 0 328.803 3.583 10 0 EHAERN COc1ccsc1C(=O)NCc1cc(F)cc(Br)c1 ZINC000105953799 1037262609 /nfs/dbraw/zinc/26/26/09/1037262609.db2.gz UFIGWVSOJBJYPC-UHFFFAOYSA-N 0 0 344.205 3.588 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000153143249 1037354999 /nfs/dbraw/zinc/35/49/99/1037354999.db2.gz DKYLEYDHEQNBRA-MWDXBVQZSA-N 0 0 332.492 3.617 10 0 EHAERN C[C@@H](Nc1cccc2c1CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCOC1 ZINC000302093594 1037588284 /nfs/dbraw/zinc/58/82/84/1037588284.db2.gz FXDWAEVDIZOCSD-ZBFHGGJFSA-N 0 0 346.471 3.817 10 0 EHAERN Cc1nnc([C@H](NC(=O)CC(C)(C)c2ccccc2)c2ccccc2)[nH]1 ZINC000103280760 1037590023 /nfs/dbraw/zinc/59/00/23/1037590023.db2.gz QNXMIAXTBIZXBU-LJQANCHMSA-N 0 0 348.450 3.687 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109096794 1037659468 /nfs/dbraw/zinc/65/94/68/1037659468.db2.gz GJMABLCOWHNTCK-KBPBESRZSA-N 0 0 341.317 3.757 10 0 EHAERN Cc1cc(N2CCC[C@H](c3nccs3)C2)nc(-c2ccncc2)n1 ZINC000112078499 1037748588 /nfs/dbraw/zinc/74/85/88/1037748588.db2.gz QBMCNSFJKFBZQN-HNNXBMFYSA-N 0 0 337.452 3.688 10 0 EHAERN CSCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218448 1037780023 /nfs/dbraw/zinc/78/00/23/1037780023.db2.gz SIYSJEHPRCYERZ-OAHLLOKOSA-N 0 0 329.469 3.536 10 0 EHAERN C[C@@H](c1nnnn1-c1ccccc1)N1CC=C(c2cccs2)CC1 ZINC000117894832 1037863088 /nfs/dbraw/zinc/86/30/88/1037863088.db2.gz DQJOZVDGKFIBJG-AWEZNQCLSA-N 0 0 337.452 3.574 10 0 EHAERN CC(=O)c1cccc(NC(=O)CN2CC=C(c3cccs3)CC2)c1 ZINC000117896452 1037863808 /nfs/dbraw/zinc/86/38/08/1037863808.db2.gz JDRASKYEJNJNRK-UHFFFAOYSA-N 0 0 340.448 3.679 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000332777960 1037953466 /nfs/dbraw/zinc/95/34/66/1037953466.db2.gz WIEAAPVSYUAEKJ-FSNPWBFUSA-N 0 0 347.503 3.873 10 0 EHAERN CCOc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccco2)cc1OCC ZINC000121175510 1037955357 /nfs/dbraw/zinc/95/53/57/1037955357.db2.gz IWXQCXSFBQNXHH-HOTGVXAUSA-N 0 0 343.423 3.539 10 0 EHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@@H]2CCC[C@H]21 ZINC000330179337 1037958794 /nfs/dbraw/zinc/95/87/94/1037958794.db2.gz FHQINVZIJBEJLZ-SMDDNHRTSA-N 0 0 331.803 3.823 10 0 EHAERN CC[C@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)c1nccs1 ZINC000123501694 1038027362 /nfs/dbraw/zinc/02/73/62/1038027362.db2.gz ARUWXRAEDUBUFJ-ZFWWWQNUSA-N 0 0 344.484 3.517 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000123530745 1038033088 /nfs/dbraw/zinc/03/30/88/1038033088.db2.gz VHZKOBOJDFDUMN-GOEBONIOSA-N 0 0 325.412 3.809 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125097106 1038278961 /nfs/dbraw/zinc/27/89/61/1038278961.db2.gz XYNBZSMQLMGJLT-JKSUJKDBSA-N 0 0 329.831 3.573 10 0 EHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000156463964 1038883356 /nfs/dbraw/zinc/88/33/56/1038883356.db2.gz OMVWKFFFQCMJQE-MLGOLLRUSA-N 0 0 349.862 3.838 10 0 EHAERN CCCC1CCC(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000171353552 1040159769 /nfs/dbraw/zinc/15/97/69/1040159769.db2.gz WAEKTOMYGWZESS-AQFXKWCLSA-N 0 0 348.491 3.701 10 0 EHAERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@H]1CCOc2ccccc21 ZINC000246281385 1040180169 /nfs/dbraw/zinc/18/01/69/1040180169.db2.gz CJRWCLZKITXDOD-UWWQBHOKSA-N 0 0 346.471 3.651 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000408450107 1041081855 /nfs/dbraw/zinc/08/18/55/1041081855.db2.gz FUFNWEGQXQDLMP-MRXNPFEDSA-N 0 0 327.428 3.822 10 0 EHAERN Cc1ccc(S(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000408097702 1041171308 /nfs/dbraw/zinc/17/13/08/1041171308.db2.gz MWUXMUWGIRHDKQ-HNNXBMFYSA-N 0 0 347.436 3.703 10 0 EHAERN Cc1nn(C)c2cc(NC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)ccc12 ZINC000333155881 1041375485 /nfs/dbraw/zinc/37/54/85/1041375485.db2.gz GJOLMVLWZDTIOP-QRKDATQKSA-N 0 0 338.455 3.782 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c2ccccc21 ZINC000153076632 1042258150 /nfs/dbraw/zinc/25/81/50/1042258150.db2.gz YABDXCVDWGOJRA-VCBZYWHSSA-N 0 0 338.455 3.558 10 0 EHAERN CC(C)[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000162389705 1042725882 /nfs/dbraw/zinc/72/58/82/1042725882.db2.gz ZUHUZHZEAVZYHT-HXUWFJFHSA-N 0 0 339.483 3.641 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2cc(F)cc(F)c2)c2ccccc2)[nH]1 ZINC000162565088 1042739049 /nfs/dbraw/zinc/73/90/49/1042739049.db2.gz TVJCARUCSYSYBN-GTNSWQLSSA-N 0 0 328.366 3.832 10 0 EHAERN Cc1nnc([C@H](N[C@@H]2CCCc3nc(C)sc32)c2ccccc2)[nH]1 ZINC000162596179 1042741553 /nfs/dbraw/zinc/74/15/53/1042741553.db2.gz BTZYTVNISGYNQN-HZPDHXFCSA-N 0 0 339.468 3.635 10 0 EHAERN CC(C)C(=O)N1CCC(c2nc([C@H]3C[C@H](C)C[C@H](C)C3)no2)CC1 ZINC000408225740 1042762417 /nfs/dbraw/zinc/76/24/17/1042762417.db2.gz KMRAHTPWHMMNGP-FOLVSLTJSA-N 0 0 333.476 3.971 10 0 EHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000330269409 1042764677 /nfs/dbraw/zinc/76/46/77/1042764677.db2.gz JGJGWHYCZIHPKZ-APWZRJJASA-N 0 0 344.455 3.898 10 0 EHAERN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)n1 ZINC000408231147 1042803168 /nfs/dbraw/zinc/80/31/68/1042803168.db2.gz LCZTUWGMDLCMJP-ZBFHGGJFSA-N 0 0 346.500 3.540 10 0 EHAERN O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CC[C@@H]2CCC[C@H]21 ZINC000330303097 1042865397 /nfs/dbraw/zinc/86/53/97/1042865397.db2.gz JRORKOXZZCWNGG-WCQYABFASA-N 0 0 342.420 3.553 10 0 EHAERN O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CC[C@H]2CCC[C@@H]21 ZINC000330303098 1042866470 /nfs/dbraw/zinc/86/64/70/1042866470.db2.gz JRORKOXZZCWNGG-YPMHNXCESA-N 0 0 342.420 3.553 10 0 EHAERN C[C@H](CC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)C(C)(C)C ZINC000408276373 1042931738 /nfs/dbraw/zinc/93/17/38/1042931738.db2.gz HVZFFXHQYNMCRM-HUUCEWRRSA-N 0 0 332.492 3.740 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@](C)(O)CC1 ZINC000408287192 1042971334 /nfs/dbraw/zinc/97/13/34/1042971334.db2.gz PIPIXKHKJQDHLT-PXNSSMCTSA-N 0 0 330.472 3.647 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000408340880 1043353207 /nfs/dbraw/zinc/35/32/07/1043353207.db2.gz PPTARMAXWCTUQS-CFBSLZGLSA-N 0 0 343.467 3.660 10 0 EHAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000408356052 1043641323 /nfs/dbraw/zinc/64/13/23/1043641323.db2.gz PACKVXWFFCXPAR-OKZBNKHCSA-N 0 0 346.519 3.599 10 0 EHAERN Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1C(=O)N(C)C(C)C ZINC000408358951 1043691050 /nfs/dbraw/zinc/69/10/50/1043691050.db2.gz RIWYIVCJCQRGDS-CRAIPNDOSA-N 0 0 343.471 3.882 10 0 EHAERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000408397875 1044875974 /nfs/dbraw/zinc/87/59/74/1044875974.db2.gz VLTQDFRQDRUEKL-MXSMSXNCSA-N 0 0 347.503 3.702 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)o1 ZINC000268475992 1128539350 /nfs/dbraw/zinc/53/93/50/1128539350.db2.gz NRBZOTUVKLWENW-WCXIOVBPSA-N 0 0 332.444 3.646 10 0 EHAERN CCCN(CCC)C(=O)c1cccc(C(=O)OCC(F)(F)F)c1 ZINC000103223686 1132756558 /nfs/dbraw/zinc/75/65/58/1132756558.db2.gz GAGZHDQISGLXBQ-UHFFFAOYSA-N 0 0 331.334 3.668 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000101635884 1135364027 /nfs/dbraw/zinc/36/40/27/1135364027.db2.gz GSOQJUGOIOFYAT-IBGZPJMESA-N 0 0 328.843 3.988 10 0 EHAERN COc1ccc2nc(C(=O)OCc3cccnc3Cl)ccc2c1 ZINC000105512613 1135950824 /nfs/dbraw/zinc/95/08/24/1135950824.db2.gz UBMARYLKWZIQHO-UHFFFAOYSA-N 0 0 328.755 3.649 10 0 EHAERN O=C(CCc1ccccc1OC(F)(F)F)OCCc1cccnc1 ZINC000105558193 1135953466 /nfs/dbraw/zinc/95/34/66/1135953466.db2.gz VVSWIEUMMQNTQS-UHFFFAOYSA-N 0 0 339.313 3.699 10 0 EHAERN CCCC(=O)NCC(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000105764104 1135974894 /nfs/dbraw/zinc/97/48/94/1135974894.db2.gz MXPLPKXTQXLNBX-UHFFFAOYSA-N 0 0 347.361 3.514 10 0 EHAERN O=C(CSCc1ccc(Cl)cc1Cl)OC[C@H]1CCOC1 ZINC000103657408 1137465139 /nfs/dbraw/zinc/46/51/39/1137465139.db2.gz CQVQXSMIGLPMED-JTQLQIEISA-N 0 0 335.252 3.806 10 0 EHAERN CC[C@@H](NC(=O)N(C)CCc1ccc(F)cc1)c1nc(C)cs1 ZINC000105308139 1137880680 /nfs/dbraw/zinc/88/06/80/1137880680.db2.gz ITGJMWASCJIQTA-OAHLLOKOSA-N 0 0 335.448 3.926 10 0 EHAERN Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)C2)[nH]n1 ZINC000333550415 1138303417 /nfs/dbraw/zinc/30/34/17/1138303417.db2.gz UMBKGZNGYWGVAV-BZSNNMDCSA-N 0 0 344.503 3.824 10 0 EHAERN CC(C)(C)C(=O)c1ccc(NC(=O)N2CC[C@H](O)CC23CCC3)cc1 ZINC000333602378 1138310077 /nfs/dbraw/zinc/31/00/77/1138310077.db2.gz WQDBBLNPFRASEX-INIZCTEOSA-N 0 0 344.455 3.827 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000333612839 1138311251 /nfs/dbraw/zinc/31/12/51/1138311251.db2.gz YHXWBHQYLCTBEZ-WMZOPIPTSA-N 0 0 342.483 3.789 10 0 EHAERN Cc1cc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)ccc1N1CC[C@@H](C)C1 ZINC000333811088 1138333672 /nfs/dbraw/zinc/33/36/72/1138333672.db2.gz FRJYCFXIBYWIIC-YMCQQKJTSA-N 0 0 339.439 3.926 10 0 EHAERN Cc1cc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)ccc1N1CC[C@H](C)C1 ZINC000333811085 1138333679 /nfs/dbraw/zinc/33/36/79/1138333679.db2.gz FRJYCFXIBYWIIC-UOQGXUADSA-N 0 0 339.439 3.926 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(F)c(C)c2)cs1 ZINC000186010093 1140181887 /nfs/dbraw/zinc/18/18/87/1140181887.db2.gz PXVOOTAPZLBPOI-INIZCTEOSA-N 0 0 333.432 3.946 10 0 EHAERN COc1cccc(CCNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000186206793 1140192025 /nfs/dbraw/zinc/19/20/25/1140192025.db2.gz VPMJEILUQXOIOT-KRWDZBQOSA-N 0 0 345.468 3.549 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2coc(Br)c2)cs1 ZINC000187016846 1140232417 /nfs/dbraw/zinc/23/24/17/1140232417.db2.gz AAJMXUWXGIOQIR-NSHDSACASA-N 0 0 341.230 3.784 10 0 EHAERN Brc1ccccc1NCCN1CCc2sccc2C1 ZINC000053343986 214177400 /nfs/dbraw/zinc/17/74/00/214177400.db2.gz GJGSHCFERYZCSL-UHFFFAOYSA-N 0 0 337.286 3.981 10 0 EHAERN CC(C)c1cc(Br)c(OCCN2CCCC2)c(C=O)c1 ZINC000053993938 214209998 /nfs/dbraw/zinc/20/99/98/214209998.db2.gz PRBUZUKEZJDGLK-UHFFFAOYSA-N 0 0 340.261 3.860 10 0 EHAERN C[C@H]1CCC[C@@H](S(=O)(=O)Cc2ccc(N)cc2Br)C1 ZINC000054691971 214251033 /nfs/dbraw/zinc/25/10/33/214251033.db2.gz KEOSYJIFGHXYIY-GXFFZTMASA-N 0 0 346.290 3.525 10 0 EHAERN O=S(=O)(c1cc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000097758461 219054431 /nfs/dbraw/zinc/05/44/31/219054431.db2.gz ZDVJXTBFHXIVHF-UHFFFAOYSA-N 0 0 336.210 3.763 10 0 EHAERN COCCN(C/C=C/c1ccccc1)Cc1ccnc(C(C)C)n1 ZINC000055568867 214330938 /nfs/dbraw/zinc/33/09/38/214330938.db2.gz YKPOREOPEXQVRB-JXMROGBWSA-N 0 0 325.456 3.762 10 0 EHAERN CC1(NC(=O)c2cc(N)c(F)cc2Br)CCCCC1 ZINC000061089119 214655401 /nfs/dbraw/zinc/65/54/01/214655401.db2.gz LSEAZYDLVVONKW-UHFFFAOYSA-N 0 0 329.213 3.623 10 0 EHAERN CCOC(=O)N1CCCC[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000004538487 210217092 /nfs/dbraw/zinc/21/70/92/210217092.db2.gz PXKYXWKGNPYGEP-IBGZPJMESA-N 0 0 339.435 3.934 10 0 EHAERN COc1ccc(C[C@@H](O)c2ccc(F)cc2Br)cc1 ZINC000062139565 214701586 /nfs/dbraw/zinc/70/15/86/214701586.db2.gz YZNXDISVQLUVQG-OAHLLOKOSA-N 0 0 325.177 3.873 10 0 EHAERN COC(=O)c1ccc(C(=O)[C@H]2OC(C)(C)O[C@H]2c2ccccc2)cc1 ZINC000004336536 210173974 /nfs/dbraw/zinc/17/39/74/210173974.db2.gz BIHLBLVVXBQZNF-ZWKOTPCHSA-N 0 0 340.375 3.549 10 0 EHAERN Cn1c2c(s/c1=N/C(=O)c1ccccc1F)CCc1ccccc1-2 ZINC000101819189 219166278 /nfs/dbraw/zinc/16/62/78/219166278.db2.gz PYJZULCJDKEZSA-XUTLUUPISA-N 0 0 338.407 3.732 10 0 EHAERN COc1ccc(CCc2cc(=O)c3cc(OC)c(OC)cc3o2)cc1 ZINC000003646270 210071059 /nfs/dbraw/zinc/07/10/59/210071059.db2.gz WYSWREVQEJRZIQ-UHFFFAOYSA-N 0 0 340.375 3.604 10 0 biogenic,in-vitro EHAERN CCOc1ccccc1NC(=O)/C=C/c1cc(OC)ccc1OC ZINC000003472724 210047743 /nfs/dbraw/zinc/04/77/43/210047743.db2.gz QPYPWAFZKPWOGP-FMIVXFBMSA-N 0 0 327.380 3.754 10 0 EHAERN COC(=O)C1(Nc2ccc(Br)cc2)CCC(C)CC1 ZINC000104175657 219355286 /nfs/dbraw/zinc/35/52/86/219355286.db2.gz JFNZXERUBHIHPL-UHFFFAOYSA-N 0 0 326.234 3.983 10 0 EHAERN COc1ccccc1Oc1ncnc(Nc2cc(F)ccc2F)c1N ZINC000040800185 213388784 /nfs/dbraw/zinc/38/87/84/213388784.db2.gz YABZUXBIIHUQTH-UHFFFAOYSA-N 0 0 344.321 3.882 10 0 EHAERN O=C(NCc1cccnc1)c1cc2ccccc2n1-c1ccccc1 ZINC000040803054 213387996 /nfs/dbraw/zinc/38/79/96/213387996.db2.gz VSHZQRDBZSZRAD-UHFFFAOYSA-N 0 0 327.387 3.956 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)nc1 ZINC000040781342 213385834 /nfs/dbraw/zinc/38/58/34/213385834.db2.gz KFJFEHKGGZTLLL-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1nc(Nc2ncnc(Nc3ccc(F)cc3)c2N)sc1C ZINC000040782450 213387467 /nfs/dbraw/zinc/38/74/67/213387467.db2.gz DEQLAYBMUHIWHQ-UHFFFAOYSA-N 0 0 330.392 3.758 10 0 EHAERN CCOc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1 ZINC000040782753 213387059 /nfs/dbraw/zinc/38/70/59/213387059.db2.gz HNAQMRMYCJKFFS-UHFFFAOYSA-N 0 0 346.394 3.540 10 0 EHAERN CCOc1ccc(Nc2ncnc(Nc3ccc(C)cn3)c2N)cc1 ZINC000040782711 213387232 /nfs/dbraw/zinc/38/72/32/213387232.db2.gz AJTDRYRGDRGHAH-UHFFFAOYSA-N 0 0 336.399 3.648 10 0 EHAERN Nc1c(Nc2ccc(F)cc2F)[nH]cnc1=NNc1ccccc1 ZINC000040757613 213382978 /nfs/dbraw/zinc/38/29/78/213382978.db2.gz CDSGTNPMIKDYMC-UHFFFAOYSA-N 0 0 328.326 3.520 10 0 EHAERN Nc1c(Nc2ccccc2Cl)[nH]cnc1=NNc1ccccc1 ZINC000040757446 213383019 /nfs/dbraw/zinc/38/30/19/213383019.db2.gz DBZIYSASSYERQI-UHFFFAOYSA-N 0 0 326.791 3.895 10 0 EHAERN CCCNc1ncnc(Nc2ccc(Br)cc2F)c1N ZINC000040707886 213372292 /nfs/dbraw/zinc/37/22/92/213372292.db2.gz SYCDYDOOAZPJEC-UHFFFAOYSA-N 0 0 340.200 3.526 10 0 EHAERN OCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000040389145 213296655 /nfs/dbraw/zinc/29/66/55/213296655.db2.gz XDQQXIUUFXHFBV-UHFFFAOYSA-N 0 0 337.206 3.914 10 0 EHAERN Cc1ccccc1OC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1 ZINC000040320601 213291266 /nfs/dbraw/zinc/29/12/66/213291266.db2.gz IXCSOTFGGUOSCY-UHFFFAOYSA-N 0 0 342.372 3.640 10 0 EHAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1ccc(OC)cc1 ZINC000040249789 213284829 /nfs/dbraw/zinc/28/48/29/213284829.db2.gz YRWAWWNWSUZJKY-UHFFFAOYSA-N 0 0 337.423 3.580 10 0 EHAERN COCC(=O)NCCCCCc1nc2ccccc2n1CCC(C)C ZINC000040211399 213281664 /nfs/dbraw/zinc/28/16/64/213281664.db2.gz TVJQTAVDDFJONU-UHFFFAOYSA-N 0 0 345.487 3.558 10 0 EHAERN COc1cccc2c(O)c(C(=O)Nc3cccc4ccccc43)cnc12 ZINC000039962844 213246370 /nfs/dbraw/zinc/24/63/70/213246370.db2.gz ZUXJAZVXBLGVKI-UHFFFAOYSA-N 0 0 344.370 3.942 10 0 EHAERN Cc1cc(C)cc(NC(=O)Cn2c(C)cc(=O)c3cccc(F)c32)c1 ZINC000039963587 213246921 /nfs/dbraw/zinc/24/69/21/213246921.db2.gz SUIWXEISAHQSBE-UHFFFAOYSA-N 0 0 338.382 3.705 10 0 EHAERN COc1ccc(-c2nc(C(C)(C)C)cc(=O)[nH]2)cc1Br ZINC000038052443 213198814 /nfs/dbraw/zinc/19/88/14/213198814.db2.gz VWZTXEDLEBDWFM-UHFFFAOYSA-N 0 0 337.217 3.506 10 0 EHAERN CCOC(=O)[C@H](NCC(F)(F)F)c1cccc(Cl)c1Cl ZINC000037973816 213179171 /nfs/dbraw/zinc/17/91/71/213179171.db2.gz KVPFPOQMPVBEMF-SNVBAGLBSA-N 0 0 330.133 3.750 10 0 EHAERN O=C([O-])[C@H]([NH2+]C1CCCCCC1)c1cccc(Br)c1 ZINC000037972469 213177668 /nfs/dbraw/zinc/17/76/68/213177668.db2.gz PSBNKGQNANYHPX-CQSZACIVSA-N 0 0 326.234 3.887 10 0 EHAERN NC(=O)[C@@H](Nc1cccc(Br)c1)c1ccccc1Cl ZINC000037944491 213175257 /nfs/dbraw/zinc/17/52/57/213175257.db2.gz QWMPIMKDZZLCOM-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=O)[C@@H](Nc1cccc(Cl)c1)c1ccccc1Br ZINC000037942587 213175289 /nfs/dbraw/zinc/17/52/89/213175289.db2.gz QFAFRCUBPCNEAB-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=O)[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000037944258 213175298 /nfs/dbraw/zinc/17/52/98/213175298.db2.gz XTFKNMINEWBTFY-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN CN(Cc1ccccc1Br)C(=O)c1ccc2c(c1)CCN2 ZINC000037798090 213168985 /nfs/dbraw/zinc/16/89/85/213168985.db2.gz KFTRMEYYVMYGKI-UHFFFAOYSA-N 0 0 345.240 3.689 10 0 EHAERN C[C@@H](Nc1ccc(Br)cc1Cl)C(=O)NC(C)(C)C ZINC000037388682 213143019 /nfs/dbraw/zinc/14/30/19/213143019.db2.gz QZDJKNMDDKTMPU-MRVPVSSYSA-N 0 0 333.657 3.818 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000036859952 213124051 /nfs/dbraw/zinc/12/40/51/213124051.db2.gz FJRZJWSIMCDGAA-TXEJJXNPSA-N 0 0 327.266 3.779 10 0 EHAERN CCOc1ccc(OCC(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000036695332 213110082 /nfs/dbraw/zinc/11/00/82/213110082.db2.gz NFYUKUYTMRCADV-UHFFFAOYSA-N 0 0 346.383 3.852 10 0 EHAERN Brc1nc(OC2CCCC2)sc1Br ZINC000072192970 216068086 /nfs/dbraw/zinc/06/80/86/216068086.db2.gz XHJCGARDWPROHA-UHFFFAOYSA-N 0 0 327.041 3.990 10 0 EHAERN COc1cc(F)c([C@H](N)c2ccc(Br)s2)c(F)c1 ZINC000037903178 213172792 /nfs/dbraw/zinc/17/27/92/213172792.db2.gz MILFFPSMZSEAFW-GFCCVEGCSA-N 0 0 334.185 3.846 10 0 EHAERN CCCNC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072451191 216240152 /nfs/dbraw/zinc/24/01/52/216240152.db2.gz VYQVGNQRAVJXNL-UHFFFAOYSA-N 0 0 332.403 3.849 10 0 EHAERN COc1cc(Cl)c(NC(=O)c2cc(Cl)ccn2)cc1OC ZINC000025682877 212493003 /nfs/dbraw/zinc/49/30/03/212493003.db2.gz LCZLTOFSXYBEKF-UHFFFAOYSA-N 0 0 327.167 3.658 10 0 EHAERN C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000024067203 212406942 /nfs/dbraw/zinc/40/69/42/212406942.db2.gz QLRGNXLOIALVCP-NSHDSACASA-N 0 0 349.789 3.670 10 0 EHAERN CCn1cnc2cc(CNC(=O)CCc3c[nH]c4ccccc34)ccc21 ZINC000075341555 216608329 /nfs/dbraw/zinc/60/83/29/216608329.db2.gz QWRYJEBRSLKRHM-UHFFFAOYSA-N 0 0 346.434 3.787 10 0 EHAERN Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000022173638 212279990 /nfs/dbraw/zinc/27/99/90/212279990.db2.gz JDEVYLMAKPLUQA-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN Cc1cc(C(=O)N2CCOCC2)c2cccc(-c3cccs3)c2n1 ZINC000021705053 212240392 /nfs/dbraw/zinc/24/03/92/212240392.db2.gz CAXGLTQPYOETMM-UHFFFAOYSA-N 0 0 338.432 3.744 10 0 EHAERN Cc1c(C(=O)Nc2cc(F)ccc2F)oc2c1-c1n[nH]cc1CC2 ZINC000020900750 212184329 /nfs/dbraw/zinc/18/43/29/212184329.db2.gz OVSWNDBGOUFCRD-UHFFFAOYSA-N 0 0 329.306 3.607 10 0 EHAERN CCC(CC)NC(=O)[C@@H](C)Nc1ccc(Br)cc1F ZINC000020420296 212127641 /nfs/dbraw/zinc/12/76/41/212127641.db2.gz XNMGELKJUCVTAL-SECBINFHSA-N 0 0 331.229 3.693 10 0 EHAERN C[C@@H](Nc1ccccc1Br)c1cccc(-n2cnnn2)c1 ZINC000019922789 212084953 /nfs/dbraw/zinc/08/49/53/212084953.db2.gz NUYJKYOBPKTJRC-LLVKDONJSA-N 0 0 344.216 3.598 10 0 EHAERN COC(=O)c1c(C)nc(-c2ccc(Br)cc2)[nH]c1=S ZINC000019479370 212031289 /nfs/dbraw/zinc/03/12/89/212031289.db2.gz SJOAGXLLBHWDJD-UHFFFAOYSA-N 0 0 339.214 3.664 10 0 EHAERN Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000019488388 212032574 /nfs/dbraw/zinc/03/25/74/212032574.db2.gz OMQPARWWEFTMOM-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN COc1ccc(Br)c(C(=O)Nc2ccc(N)cc2C)c1 ZINC000019438399 212027869 /nfs/dbraw/zinc/02/78/69/212027869.db2.gz MFOYLYVWTFRPJK-UHFFFAOYSA-N 0 0 335.201 3.601 10 0 EHAERN Cc1ccc(N)c(C)c1NC(=O)Cc1ccc(Br)cc1 ZINC000019422034 212027148 /nfs/dbraw/zinc/02/71/48/212027148.db2.gz HEODGKSJNGFAGT-UHFFFAOYSA-N 0 0 333.229 3.829 10 0 EHAERN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(OC)nc1 ZINC000012484863 211391438 /nfs/dbraw/zinc/39/14/38/211391438.db2.gz MQJNWGADTRXORB-UHFFFAOYSA-N 0 0 326.352 3.625 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(COCc2cnc(Cl)s2)CC1 ZINC000095084172 218275829 /nfs/dbraw/zinc/27/58/29/218275829.db2.gz QOFHBQYQYLBMBA-UHFFFAOYSA-N 0 0 346.880 3.960 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCCOc2nccs2)CC1 ZINC000095083712 218275935 /nfs/dbraw/zinc/27/59/35/218275935.db2.gz DBSGQLAJVSTHGX-UHFFFAOYSA-N 0 0 326.462 3.949 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOc2ncccc2O)C1 ZINC000095085036 218276413 /nfs/dbraw/zinc/27/64/13/218276413.db2.gz CFCJGGYKPFPQBO-CQSZACIVSA-N 0 0 336.432 3.593 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccccc3[nH]2)C1 ZINC000095085415 218276797 /nfs/dbraw/zinc/27/67/97/218276797.db2.gz OUWZRMYVTJXDOR-CYBMUJFWSA-N 0 0 331.416 3.589 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1ccc(Cl)nn1 ZINC000095086319 218277319 /nfs/dbraw/zinc/27/73/19/218277319.db2.gz ZZEPWWUHBXMUHB-LBPRGKRZSA-N 0 0 341.839 3.689 10 0 EHAERN Cc1ccc(Cn2c3ccccc3nc2N2CCCC[C@H]2CO)cc1 ZINC000095090020 218279119 /nfs/dbraw/zinc/27/91/19/218279119.db2.gz HBOAWNGHZKGRIP-SFHVURJKSA-N 0 0 335.451 3.744 10 0 EHAERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nsc2ccccc21 ZINC000095090925 218280041 /nfs/dbraw/zinc/28/00/41/218280041.db2.gz RWNFWESCUXKMME-LBPRGKRZSA-N 0 0 333.457 3.742 10 0 EHAERN COc1ccc(OCCCn2c3ccccc3nc2C(C)(C)O)cc1 ZINC000008786021 211007624 /nfs/dbraw/zinc/00/76/24/211007624.db2.gz VTXLNPQYEMCNSR-UHFFFAOYSA-N 0 0 340.423 3.741 10 0 EHAERN Cc1ccccc1CN(C)c1cnn(-c2ccccc2)c(=O)c1Cl ZINC000007984959 210875056 /nfs/dbraw/zinc/87/50/56/210875056.db2.gz PESMWTRTKPAYFB-UHFFFAOYSA-N 0 0 339.826 3.831 10 0 EHAERN CC(=O)c1cc(Br)cc(CNC(=O)OC(C)(C)C)c1 ZINC000095764609 218448790 /nfs/dbraw/zinc/44/87/90/218448790.db2.gz SKESMBVNPVCFEE-UHFFFAOYSA-N 0 0 328.206 3.676 10 0 EHAERN CNc1nc(NC(C)C)nc(Sc2cc(Cl)c(Cl)cn2)n1 ZINC000006827966 210723455 /nfs/dbraw/zinc/72/34/55/210723455.db2.gz DONKNGBVMXOSQD-UHFFFAOYSA-N 0 0 345.259 3.587 10 0 EHAERN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)[C@H]1CCCO1 ZINC000006781413 210709016 /nfs/dbraw/zinc/70/90/16/210709016.db2.gz KDSQDZUROFCWBY-OAHLLOKOSA-N 0 0 339.420 3.784 10 0 EHAERN Cc1ccc2n1CCN(C(=O)c1cccc(Oc3cnccn3)c1)[C@@H]2C ZINC000096454930 218839305 /nfs/dbraw/zinc/83/93/05/218839305.db2.gz VICTXNDWALQPRA-OAHLLOKOSA-N 0 0 348.406 3.596 10 0 EHAERN Cc1sc2[nH]c(SCCOc3ccccc3)nc(=O)c2c1C ZINC000005237727 210419597 /nfs/dbraw/zinc/41/95/97/210419597.db2.gz HIVDWFZFJBNFJT-UHFFFAOYSA-N 0 0 332.450 3.773 10 0 EHAERN CS(=O)(=O)CCc1ccc(N[C@H]2CCCc3sccc32)cc1 ZINC000097232334 219001253 /nfs/dbraw/zinc/00/12/53/219001253.db2.gz KIBAFPYATQLIHM-INIZCTEOSA-N 0 0 335.494 3.825 10 0 EHAERN Cc1cccc(N2CCN(CC(=O)c3ccc4cc[nH]c4c3)CC2)c1C ZINC000036092342 132391056 /nfs/dbraw/zinc/39/10/56/132391056.db2.gz QIUQTVFCTFPRNM-UHFFFAOYSA-N 0 0 347.462 3.790 10 0 EHAERN CC(C)[C@@H](Sc1nnc(C2CC2)[nH]1)C(=O)N[C@H](C)c1ccccc1 ZINC000030628582 519801430 /nfs/dbraw/zinc/80/14/30/519801430.db2.gz PFRWJSOZBKSQDD-IUODEOHRSA-N 0 0 344.484 3.676 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H]3CCCO[C@@H]3CC(C)C)nc21 ZINC000187489512 524914756 /nfs/dbraw/zinc/91/47/56/524914756.db2.gz AXAGWBOPPMWDEY-NVXWUHKLSA-N 0 0 343.471 3.514 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)CCCC(=O)N[C@@H](C)c2ccc(C)o2)o1 ZINC000045042357 525692531 /nfs/dbraw/zinc/69/25/31/525692531.db2.gz HCRTZIYRWOPDPR-GASCZTMLSA-N 0 0 346.427 3.714 10 0 EHAERN CC(C)(C)OC(=O)NCCCCc1ccc(Br)cn1 ZINC000211678869 534882621 /nfs/dbraw/zinc/88/26/21/534882621.db2.gz WMBVMJHVSUQEEP-UHFFFAOYSA-N 0 0 329.238 3.692 10 0 EHAERN Cc1csc(-c2cccc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c2)n1 ZINC000041315455 526303046 /nfs/dbraw/zinc/30/30/46/526303046.db2.gz HGGOLBGLGZASCF-SJORKVTESA-N 0 0 342.464 3.902 10 0 EHAERN CC(C)c1cc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)no1 ZINC000219935564 535370161 /nfs/dbraw/zinc/37/01/61/535370161.db2.gz FNUNVJDJIYOZLZ-AWEZNQCLSA-N 0 0 329.400 3.642 10 0 EHAERN Cc1cccnc1-n1nc(C2CC2)nc1-c1ccc(O)c(Cl)c1 ZINC000065407341 563960308 /nfs/dbraw/zinc/96/03/08/563960308.db2.gz YCQASUHXVKRKTM-UHFFFAOYSA-N 0 0 326.787 3.874 10 0 EHAERN Fc1c(Br)cccc1-c1ncc(Br)cn1 ZINC000725244691 563975838 /nfs/dbraw/zinc/97/58/38/563975838.db2.gz RNNFVXYUXXWZBX-UHFFFAOYSA-N 0 0 331.970 3.808 10 0 EHAERN Cc1cc(Br)ccc1N1C(=O)Nc2ccccc2N1O ZINC000000184497 563987949 /nfs/dbraw/zinc/98/79/49/563987949.db2.gz LSCBLUOARXIISS-UHFFFAOYSA-N 0 0 334.173 3.920 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1ccc3c[nH]nc3c1)CCCC2 ZINC000275589274 564009571 /nfs/dbraw/zinc/00/95/71/564009571.db2.gz PPLLNLHIKKINGO-LJQANCHMSA-N 0 0 335.455 3.512 10 0 EHAERN CC(C)(C)OC(=O)N1CCC2(CC1)Nc1cc(F)c(F)cc1N2 ZINC000584904613 564014490 /nfs/dbraw/zinc/01/44/90/564014490.db2.gz USBXYFASUQHHOX-UHFFFAOYSA-N 0 0 325.359 3.529 10 0 EHAERN O=C(C[C@H](SCCO)c1ccc2c(c1)OCO2)c1cccs1 ZINC000003199776 564051532 /nfs/dbraw/zinc/05/15/32/564051532.db2.gz ILZOKRYZRVJBOM-INIZCTEOSA-N 0 0 336.434 3.516 10 0 EHAERN O[C@H]1C[C@@H](c2cc(NCc3cccc(-c4ccccc4)c3)ncn2)C1 ZINC000252522972 564053594 /nfs/dbraw/zinc/05/35/94/564053594.db2.gz BODWZEIOLHKZRJ-KDURUIRLSA-N 0 0 331.419 3.994 10 0 EHAERN CC(C)(C)OC(=O)n1cc(-c2ccnc(Cl)n2)c2ccncc21 ZINC000150329858 564078627 /nfs/dbraw/zinc/07/86/27/564078627.db2.gz XXWQTGNFTAENHX-UHFFFAOYSA-N 0 0 330.775 3.930 10 0 EHAERN Cc1nsc2ncc(C(=O)NCCC3Cc4ccccc4C3)cc12 ZINC000122959013 564085372 /nfs/dbraw/zinc/08/53/72/564085372.db2.gz HPIXBNDOEUPCMH-UHFFFAOYSA-N 0 0 337.448 3.535 10 0 EHAERN C[C@@H]1Cc2nc(-c3ccc(OCc4ccccc4)cc3)cc(=O)n2C1 ZINC000536951782 564091758 /nfs/dbraw/zinc/09/17/58/564091758.db2.gz WSGWCIYRPMAURG-OAHLLOKOSA-N 0 0 332.403 3.682 10 0 EHAERN CCn1c2cc(C)ccc2c(C[NH2+]Cc2ccc(C)o2)c1C(=O)[O-] ZINC000006795360 564098118 /nfs/dbraw/zinc/09/81/18/564098118.db2.gz DGUOLUGYOKTSFJ-UHFFFAOYSA-N 0 0 326.396 3.859 10 0 EHAERN CC(C)NC(=O)c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1 ZINC000006895794 564100957 /nfs/dbraw/zinc/10/09/57/564100957.db2.gz CLYADTHZKYQUBL-JOCHJYFZSA-N 0 0 339.844 3.520 10 0 EHAERN COc1cc(NC(=O)OCc2cccc(F)c2)cc(OC)c1OC ZINC000048547189 564129368 /nfs/dbraw/zinc/12/93/68/564129368.db2.gz AHYZZVAYZTVIBL-UHFFFAOYSA-N 0 0 335.331 3.600 10 0 EHAERN C[C@@](O)(C[C@@](C)(O)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000065734876 564134397 /nfs/dbraw/zinc/13/43/97/564134397.db2.gz BUIQPLVQIGSHGP-IAGOWNOFSA-N 0 0 328.305 3.748 10 0 in-vitro EHAERN CCCCC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961036 564177151 /nfs/dbraw/zinc/17/71/51/564177151.db2.gz AENQOCKCFNCTDT-QGZVFWFLSA-N 0 0 348.487 3.771 10 0 EHAERN Cc1cc(C)c(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)c(Cl)n1 ZINC000182155681 1032072491 /nfs/dbraw/zinc/07/24/91/1032072491.db2.gz MHRYUBFEZVXITI-LJQANCHMSA-N 0 0 344.842 3.740 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]CC[C@@H]2CC=CCC2)c(Br)c1 ZINC000706890653 977366765 /nfs/dbraw/zinc/36/67/65/977366765.db2.gz CUWQFYICQQFCIL-GFCCVEGCSA-N 0 0 338.245 3.983 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000187405807 1015200357 /nfs/dbraw/zinc/20/03/57/1015200357.db2.gz WWVVJXICYXXUIC-UONOGXRCSA-N 0 0 337.489 3.644 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)Cc3ccc(C)cc3)CCO2)o1 ZINC000182679227 1032118521 /nfs/dbraw/zinc/11/85/21/1032118521.db2.gz GVHOUFBIWPVVHV-KXBFYZLASA-N 0 0 327.424 3.675 10 0 EHAERN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)C[C@@H](C)C(C)C ZINC000117708036 1015701408 /nfs/dbraw/zinc/70/14/08/1015701408.db2.gz CQXXUKJUFPBQDX-NVXWUHKLSA-N 0 0 346.471 3.615 10 0 EHAERN CC1(C)CCC[C@H](CC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000407995290 1016784580 /nfs/dbraw/zinc/78/45/80/1016784580.db2.gz ICPMGERNOIGUNR-ZBFHGGJFSA-N 0 0 349.496 3.628 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3ncccc3C)CC2)n1 ZINC000183504453 1032177931 /nfs/dbraw/zinc/17/79/31/1032177931.db2.gz BKQASRPEXWJTMV-AATRIKPKSA-N 0 0 327.453 3.574 10 0 EHAERN C[C@@H](CNC(=O)N1CC=C(c2ccccc2)CC1)c1nccs1 ZINC000184291939 1032279930 /nfs/dbraw/zinc/27/99/30/1032279930.db2.gz HLCAOVATNYSILV-AWEZNQCLSA-N 0 0 327.453 3.746 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](c2c(F)cccc2F)C1)c1ccncc1 ZINC000184391378 1032289989 /nfs/dbraw/zinc/28/99/89/1032289989.db2.gz ANWOTMFMABHQLE-JSGCOSHPSA-N 0 0 331.366 3.620 10 0 EHAERN COc1ccc(C[C@@H](C)Nc2cccc3c2OCC[C@H]3O)cc1OC ZINC000184572365 1032296414 /nfs/dbraw/zinc/29/64/14/1032296414.db2.gz DTIHXLWFOLETOJ-CXAGYDPISA-N 0 0 343.423 3.563 10 0 EHAERN COCC[C@@H](Cc1cccc(F)c1)Nc1cccc2c1OCC[C@@H]2O ZINC000184571947 1032297786 /nfs/dbraw/zinc/29/77/86/1032297786.db2.gz OCNMUNUEMCOYGG-LPHOPBHVSA-N 0 0 345.414 3.701 10 0 EHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000185388694 1032387369 /nfs/dbraw/zinc/38/73/69/1032387369.db2.gz CERCSOYIOLTUIH-VBQJREDUSA-N 0 0 343.810 3.898 10 0 EHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000081556540 1032578042 /nfs/dbraw/zinc/57/80/42/1032578042.db2.gz JOAUULAYIFQEGU-HOTGVXAUSA-N 0 0 329.831 3.778 10 0 EHAERN O=C([C@H]1CCCn2ccnc21)N1CC2(CCCC2)c2c1cccc2F ZINC000081623181 1032608747 /nfs/dbraw/zinc/60/87/47/1032608747.db2.gz JJEYPPCMWCORMN-AWEZNQCLSA-N 0 0 339.414 3.758 10 0 EHAERN Fc1cccc2ncnc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)c12 ZINC000275747465 1018465136 /nfs/dbraw/zinc/46/51/36/1018465136.db2.gz VWOOLQQQWYXQAR-MRXNPFEDSA-N 0 0 337.402 3.712 10 0 EHAERN O=S(=O)(CCC1CC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000092316713 1032796641 /nfs/dbraw/zinc/79/66/41/1032796641.db2.gz QQGZHLQXUFSNQU-INIZCTEOSA-N 0 0 335.469 3.543 10 0 EHAERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)COC2CCCCC2)cc1 ZINC000119347971 1032899834 /nfs/dbraw/zinc/89/98/34/1032899834.db2.gz JLWWOYTZKJYAGB-OAHLLOKOSA-N 0 0 341.455 3.707 10 0 EHAERN COc1ccccc1C[C@H]1CCCN1C(=O)/C=C\c1ccc(O)cc1 ZINC000588416069 1021025019 /nfs/dbraw/zinc/02/50/19/1021025019.db2.gz BRDIOKPTXVTJNX-ADYSOMBNSA-N 0 0 337.419 3.648 10 0 EHAERN O=C1OC(c2cc(F)cc(F)c2)=N/C1=C/c1cccc2cnccc12 ZINC000588423291 1021386090 /nfs/dbraw/zinc/38/60/90/1021386090.db2.gz ABVVCMKCDYSNNL-CAOOACKPSA-N 0 0 336.297 3.858 10 0 EHAERN Cc1ccccc1N1C(=O)C(=Cc2cccc3cnccc23)NC1=S ZINC000588423421 1021421565 /nfs/dbraw/zinc/42/15/65/1021421565.db2.gz LCHQRKKMYHIGSC-BOPFTXTBSA-N 0 0 345.427 3.805 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Nc1ccc(Cl)cc1 ZINC000588611806 1033042704 /nfs/dbraw/zinc/04/27/04/1033042704.db2.gz FHKIUJKOBRZKAL-PLNGDYQASA-N 0 0 339.823 3.542 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCCC[C@H]1C(C)C)C2 ZINC000112748729 1022330714 /nfs/dbraw/zinc/33/07/14/1022330714.db2.gz GNPGHDUJVIKKMV-HOTGVXAUSA-N 0 0 346.519 3.826 10 0 EHAERN Cc1[nH]c2ccc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2c1C ZINC000127617707 1022387720 /nfs/dbraw/zinc/38/77/20/1022387720.db2.gz BORXGUDXDOYCNU-OXJNMPFZSA-N 0 0 326.440 3.552 10 0 EHAERN C[C@@H]1CCC[C@H](CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000328925845 1022548071 /nfs/dbraw/zinc/54/80/71/1022548071.db2.gz FAQWCWZAFCATHW-IKGGRYGDSA-N 0 0 344.503 3.884 10 0 EHAERN CCO[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C[C@@H]1C ZINC000333873843 1022706861 /nfs/dbraw/zinc/70/68/61/1022706861.db2.gz SKXZIQJJRDTHDN-LIRRHRJNSA-N 0 0 344.455 3.875 10 0 EHAERN COc1cc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc(OC)c1 ZINC000333886427 1023012389 /nfs/dbraw/zinc/01/23/89/1023012389.db2.gz XQONJAYIUNECQL-BXSJSEAGSA-N 0 0 330.428 3.604 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000588451768 1023021266 /nfs/dbraw/zinc/02/12/66/1023021266.db2.gz LXHXNSULOYGFPB-SREVYHEPSA-N 0 0 338.304 3.878 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000588452132 1023022408 /nfs/dbraw/zinc/02/24/08/1023022408.db2.gz XSCMAQZNWDHAHD-VURMDHGXSA-N 0 0 338.798 3.881 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1cc(F)cc(Br)c1 ZINC000588452436 1023023175 /nfs/dbraw/zinc/02/31/75/1023023175.db2.gz PKFIEHRYNJJBOT-PLNGDYQASA-N 0 0 349.203 3.621 10 0 EHAERN Cc1ccc(Cn2nccc2NC(=O)/C=C\c2ncccc2C)cc1 ZINC000588452102 1023023294 /nfs/dbraw/zinc/02/32/94/1023023294.db2.gz RNTHDHQVEBCNCX-KTKRTIGZSA-N 0 0 332.407 3.595 10 0 EHAERN O=C(CC/C=C\c1ccccc1)Nc1ccc(-n2ccc(=O)cc2)nc1 ZINC000588459914 1023214247 /nfs/dbraw/zinc/21/42/47/1023214247.db2.gz JXOWKGMJYCQGBA-YWEYNIOJSA-N 0 0 345.402 3.665 10 0 EHAERN CO[C@H](C)c1nc(C)c(C(=O)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000190323192 1023273771 /nfs/dbraw/zinc/27/37/71/1023273771.db2.gz JNWUWCFDQCKUIL-RISCZKNCSA-N 0 0 346.452 3.672 10 0 EHAERN O=C(Nc1cc(Cl)ccc1F)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000080738757 1023279780 /nfs/dbraw/zinc/27/97/80/1023279780.db2.gz GTPLFTDLRMKUPR-HIFRSBDPSA-N 0 0 336.798 3.981 10 0 EHAERN CC[C@@]1(C)Oc2ccc(NC(=O)N(C)[C@@H](C)c3cnn(C)c3)cc2O1 ZINC000190425116 1023286860 /nfs/dbraw/zinc/28/68/60/1023286860.db2.gz WKDJFXSWLJPKAC-SGTLLEGYSA-N 0 0 344.415 3.542 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000180547018 1023299138 /nfs/dbraw/zinc/29/91/38/1023299138.db2.gz FKEYEWFNPDCDGG-DYVFJYSZSA-N 0 0 326.444 3.545 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2C)C(C)C)C[C@H]1C ZINC000190665832 1023958634 /nfs/dbraw/zinc/95/86/34/1023958634.db2.gz NHQYWVCKLKDXLM-KBAYOESNSA-N 0 0 346.471 3.533 10 0 EHAERN C[C@@H]1CC(c2noc(-c3ccc(N4CCCC4)nn3)n2)C[C@@H](C)C1 ZINC000329706234 1024107836 /nfs/dbraw/zinc/10/78/36/1024107836.db2.gz JUYBLJSLBQIXAH-STQMWFEESA-N 0 0 327.432 3.667 10 0 EHAERN C[C@H]1CC(c2noc(-c3ccc(N4CCCC4)nn3)n2)C[C@H](C)C1 ZINC000329706233 1024108034 /nfs/dbraw/zinc/10/80/34/1024108034.db2.gz JUYBLJSLBQIXAH-CHWSQXEVSA-N 0 0 327.432 3.667 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2)cn1 ZINC000151465418 1024111316 /nfs/dbraw/zinc/11/13/16/1024111316.db2.gz MHPVDKPMEKIDQA-UHFFFAOYSA-N 0 0 341.411 3.556 10 0 EHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(F)cn1 ZINC000183141452 1024174831 /nfs/dbraw/zinc/17/48/31/1024174831.db2.gz VDPDZRXULGNLHD-MRXNPFEDSA-N 0 0 326.371 3.787 10 0 EHAERN C[C@H](CC1CCCCC1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000193027287 1024300968 /nfs/dbraw/zinc/30/09/68/1024300968.db2.gz IBEIFSHXDKWPRF-DYVFJYSZSA-N 0 0 346.496 3.965 10 0 EHAERN O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000280924076 1024440478 /nfs/dbraw/zinc/44/04/78/1024440478.db2.gz BGQDTAMEUDROKO-FSGKZVOOSA-N 0 0 342.483 3.658 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@@H](C)c3ccc(F)cc3F)CCO2)o1 ZINC000151724976 1024500299 /nfs/dbraw/zinc/50/02/99/1024500299.db2.gz GZHZFGOMSLHVCO-XIKOKIGWSA-N 0 0 349.377 3.960 10 0 EHAERN CSc1cc(C(=O)Nc2cccc(-c3ncon3)c2)ccc1F ZINC000121527060 1025486219 /nfs/dbraw/zinc/48/62/19/1025486219.db2.gz WYTOYSCSALZCFS-UHFFFAOYSA-N 0 0 329.356 3.850 10 0 EHAERN COc1ccc([C@H](C)NC(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000102888760 1025553973 /nfs/dbraw/zinc/55/39/73/1025553973.db2.gz QMJGQEUSSAJXQN-QMMMGPOBSA-N 0 0 327.277 3.743 10 0 EHAERN CN(C(N)=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000102921819 1025556112 /nfs/dbraw/zinc/55/61/12/1025556112.db2.gz OCLMSFXDSDYMRL-UHFFFAOYSA-N 0 0 341.342 3.575 10 0 EHAERN Clc1nc2ccccc2cc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000121666181 1025633818 /nfs/dbraw/zinc/63/38/18/1025633818.db2.gz FVALHPKQXPKHHE-HNNXBMFYSA-N 0 0 327.819 3.734 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[nH]1 ZINC000329167498 1025637775 /nfs/dbraw/zinc/63/77/75/1025637775.db2.gz IOEHOQKQMQEZHW-VQHPVUNQSA-N 0 0 330.476 3.773 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000588508999 1025646933 /nfs/dbraw/zinc/64/69/33/1025646933.db2.gz BMEHFOUEOPERLV-BBLCHGJFSA-N 0 0 343.467 3.613 10 0 EHAERN CCCC[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000103316762 1026076175 /nfs/dbraw/zinc/07/61/75/1026076175.db2.gz UYELUFPRLFKGIT-ZWKOTPCHSA-N 0 0 334.460 3.747 10 0 EHAERN Cn1nnc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)ccc21 ZINC000103737044 1026121842 /nfs/dbraw/zinc/12/18/42/1026121842.db2.gz OQWZTKXIQZIERE-KRWDZBQOSA-N 0 0 340.814 3.503 10 0 EHAERN Cc1c([C@H](C)NC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cnn1C ZINC000047006293 1026206120 /nfs/dbraw/zinc/20/61/20/1026206120.db2.gz HDZRGMXFMIOVJB-UGFPPAMCSA-N 0 0 344.503 3.647 10 0 EHAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC000248389256 1026290616 /nfs/dbraw/zinc/29/06/16/1026290616.db2.gz SBDXGDYIHWKDPC-FHLIZLRMSA-N 0 0 349.496 3.519 10 0 EHAERN CC(C)(C)C(=O)N1CCCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000301607330 1026871694 /nfs/dbraw/zinc/87/16/94/1026871694.db2.gz NSYRYDVBXAWQNI-UHFFFAOYSA-N 0 0 343.496 3.895 10 0 EHAERN Brc1cncc(NCc2nnc(-c3ccccc3)s2)c1 ZINC000301665222 1026893572 /nfs/dbraw/zinc/89/35/72/1026893572.db2.gz WITMJHOXSLUXCN-UHFFFAOYSA-N 0 0 347.241 3.975 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000126001013 1027150863 /nfs/dbraw/zinc/15/08/63/1027150863.db2.gz GUWKKGOHKMAEEF-VBKZILBWSA-N 0 0 345.402 3.671 10 0 EHAERN Cc1nc([C@H](NC2C[C@@H](C)O[C@H](C)C2)c2ccc(Cl)cc2)no1 ZINC000127328130 1027298419 /nfs/dbraw/zinc/29/84/19/1027298419.db2.gz XUYFQVHPLCWUML-GLKRBJQHSA-N 0 0 335.835 3.666 10 0 EHAERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000128383145 1027426413 /nfs/dbraw/zinc/42/64/13/1027426413.db2.gz SLHODTPYWPQLFI-LBPRGKRZSA-N 0 0 345.468 3.783 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Nc1cc(F)c(F)cc1F ZINC000105044437 1027584765 /nfs/dbraw/zinc/58/47/65/1027584765.db2.gz KTBZKIVVORIGNX-UHFFFAOYSA-N 0 0 338.329 3.819 10 0 EHAERN COCCC1(CNC(=O)N2CC=C(c3ccccc3F)CC2)CCC1 ZINC000129970060 1027622982 /nfs/dbraw/zinc/62/29/82/1027622982.db2.gz HSDKLRLAHYASNU-UHFFFAOYSA-N 0 0 346.446 3.831 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cnccc1OC(C)(C)C ZINC000131821132 1027824684 /nfs/dbraw/zinc/82/46/84/1027824684.db2.gz VJEQGJOOLWRRNT-YVEFUNNKSA-N 0 0 326.396 3.762 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3F)CCO2)o1 ZINC000133339267 1028019482 /nfs/dbraw/zinc/01/94/82/1028019482.db2.gz RXWPEEVSCDSZFZ-UGSOOPFHSA-N 0 0 331.387 3.506 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133349678 1028022049 /nfs/dbraw/zinc/02/20/49/1028022049.db2.gz HQWXSOTVNQCERI-AUUYWEPGSA-N 0 0 345.414 3.896 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3sccc3-n3cccc3)CCO2)o1 ZINC000133434616 1028029409 /nfs/dbraw/zinc/02/94/09/1028029409.db2.gz GYOHRVKDXRFJCC-INIZCTEOSA-N 0 0 342.420 3.654 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)CCc3ccccc3F)CCO2)o1 ZINC000133658173 1028052168 /nfs/dbraw/zinc/05/21/68/1028052168.db2.gz YQUNRQFVTPEGNB-LIRRHRJNSA-N 0 0 345.414 3.896 10 0 EHAERN COc1ccccc1/C(C)=C/C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000133888022 1028076041 /nfs/dbraw/zinc/07/60/41/1028076041.db2.gz HQPMMIYFSFLIEA-XUDAUXSOSA-N 0 0 341.407 3.600 10 0 EHAERN CCCOc1cccc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000134085361 1028093895 /nfs/dbraw/zinc/09/38/95/1028093895.db2.gz AUGTYJUHXNUFIP-GOSISDBHSA-N 0 0 329.396 3.591 10 0 EHAERN C[C@H](NC(=O)N[C@@H](C)c1ccncc1)c1ncc(-c2ccccc2)o1 ZINC000153534037 1028108783 /nfs/dbraw/zinc/10/87/83/1028108783.db2.gz XIYWZUSQVFFPLH-KBPBESRZSA-N 0 0 336.395 3.858 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000246280759 1028150652 /nfs/dbraw/zinc/15/06/52/1028150652.db2.gz DEHOJWGFTMYWMK-NUJGCVRESA-N 0 0 341.476 3.790 10 0 EHAERN O=C(Nc1ccc(Cl)cc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000136906697 1028279307 /nfs/dbraw/zinc/27/93/07/1028279307.db2.gz PVFBIVRVGGAOJN-CYBMUJFWSA-N 0 0 335.766 3.559 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246376622 1028297085 /nfs/dbraw/zinc/29/70/85/1028297085.db2.gz HWVQBYHQSYPHHR-FSPWUOQZSA-N 0 0 334.435 3.612 10 0 EHAERN O=C(N[C@@H]1CC=CCC1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246384545 1028305751 /nfs/dbraw/zinc/30/57/51/1028305751.db2.gz IORNJJQKGZCGND-FGTMMUONSA-N 0 0 332.419 3.532 10 0 EHAERN O=C(C[C@H](O)c1cccc(F)c1)N1CC=C(c2ccccc2F)CC1 ZINC000137332571 1028309316 /nfs/dbraw/zinc/30/93/16/1028309316.db2.gz CQAWLRQSZHWXFL-IBGZPJMESA-N 0 0 343.373 3.704 10 0 EHAERN CNc1snc(C)c1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000137326775 1028310273 /nfs/dbraw/zinc/31/02/73/1028310273.db2.gz WOKKVPOIIIYMST-UHFFFAOYSA-N 0 0 331.416 3.562 10 0 EHAERN CC(C)(C(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000067047712 1028353440 /nfs/dbraw/zinc/35/34/40/1028353440.db2.gz KVCZQEWEMALYCR-ZDUSSCGKSA-N 0 0 332.444 3.966 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](c4nccs4)C3)c21 ZINC000067047727 1028353483 /nfs/dbraw/zinc/35/34/83/1028353483.db2.gz QJFULOIWPMOYMA-CQSZACIVSA-N 0 0 339.464 3.882 10 0 EHAERN O=C(CCc1cccc(F)c1F)N1CCC[C@H](c2nccs2)C1 ZINC000067047756 1028355015 /nfs/dbraw/zinc/35/50/15/1028355015.db2.gz VWLOIPXLDHTAMO-ZDUSSCGKSA-N 0 0 336.407 3.760 10 0 EHAERN CCOC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2cccn2C)c1 ZINC000061351102 1028430445 /nfs/dbraw/zinc/43/04/45/1028430445.db2.gz HZRDVLWJBMCACM-KRWDZBQOSA-N 0 0 341.411 3.571 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3c[nH]nc3C(C)C)C2)cc1 ZINC000193604149 1028452923 /nfs/dbraw/zinc/45/29/23/1028452923.db2.gz OHFSFJPIHLOVSS-HIFRSBDPSA-N 0 0 327.428 3.560 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCc3cccnc32)c1 ZINC000193858443 1028473756 /nfs/dbraw/zinc/47/37/56/1028473756.db2.gz WWMITJXIHPDHHD-ZDUSSCGKSA-N 0 0 344.798 3.580 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000194621488 1028527481 /nfs/dbraw/zinc/52/74/81/1028527481.db2.gz JFEGPMOTDZLGDE-UONOGXRCSA-N 0 0 333.823 3.545 10 0 EHAERN Cc1nc(NC(=O)[C@H]2CCCc3cccnc32)ccc1Br ZINC000194538571 1028542248 /nfs/dbraw/zinc/54/22/48/1028542248.db2.gz QDSLWQCOEZVCHW-LBPRGKRZSA-N 0 0 346.228 3.606 10 0 EHAERN Cc1c(F)cccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000073394001 1028555913 /nfs/dbraw/zinc/55/59/13/1028555913.db2.gz IEJGQSZIJPJRPR-OAHLLOKOSA-N 0 0 330.384 3.576 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246467351 1028584477 /nfs/dbraw/zinc/58/44/77/1028584477.db2.gz CPLFMUJEAAAYIO-JFILPPLUSA-N 0 0 337.822 3.610 10 0 EHAERN O=C(c1cc2ccccn2c1)N1CCC(Nc2ccccc2F)CC1 ZINC000074009173 1028592192 /nfs/dbraw/zinc/59/21/92/1028592192.db2.gz VTCAVZREMNDOLI-UHFFFAOYSA-N 0 0 337.398 3.795 10 0 EHAERN CSc1cccc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000195355851 1028599957 /nfs/dbraw/zinc/59/99/57/1028599957.db2.gz HMBDDGQPCGYBTI-CYBMUJFWSA-N 0 0 347.509 3.683 10 0 EHAERN CC(C)(C)c1nc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246481452 1028607551 /nfs/dbraw/zinc/60/75/51/1028607551.db2.gz GPUPBGZQZDYRNY-JKSUJKDBSA-N 0 0 347.434 3.594 10 0 EHAERN C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)O1 ZINC000246576941 1028662246 /nfs/dbraw/zinc/66/22/46/1028662246.db2.gz YZPHMZQTGJHGCF-ZWQIFLOQSA-N 0 0 349.446 3.588 10 0 EHAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2nccs2)C12CCCCC2 ZINC000246691052 1028678583 /nfs/dbraw/zinc/67/85/83/1028678583.db2.gz RMTYTVUMGCBFNB-HZSPNIEDSA-N 0 0 337.489 3.631 10 0 EHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CCCn3ccnc32)C1 ZINC000245420129 1028708459 /nfs/dbraw/zinc/70/84/59/1028708459.db2.gz MNRHGLAANRBGNU-XOKHGSTOSA-N 0 0 327.403 3.509 10 0 EHAERN CSc1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000247202992 1028757074 /nfs/dbraw/zinc/75/70/74/1028757074.db2.gz YPVISAHAXAURNE-APHBMKBZSA-N 0 0 332.469 3.878 10 0 EHAERN C[C@@H]1CC[C@@H](CCC(=O)N2CCC(Nc3ccccc3F)CC2)O1 ZINC000075805806 1028794809 /nfs/dbraw/zinc/79/48/09/1028794809.db2.gz GSKOMIMBRGLNPP-ZBFHGGJFSA-N 0 0 334.435 3.576 10 0 EHAERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1OC(F)F ZINC000247641002 1028807811 /nfs/dbraw/zinc/80/78/11/1028807811.db2.gz VQHIFZDLSNKENH-BFHYXJOUSA-N 0 0 340.370 3.676 10 0 EHAERN O=C(CCC1CCCC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000247886335 1028820972 /nfs/dbraw/zinc/82/09/72/1028820972.db2.gz XFYHDGHOCJJUJJ-UHFFFAOYSA-N 0 0 334.504 3.598 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc4[nH]ccc43)CCO2)o1 ZINC000153850677 1028822734 /nfs/dbraw/zinc/82/27/34/1028822734.db2.gz FOPYSZFNCJAXIR-QGZVFWFLSA-N 0 0 325.368 3.675 10 0 EHAERN CN1CC[C@@H](NC(=O)Nc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714202 1029114319 /nfs/dbraw/zinc/11/43/19/1029114319.db2.gz UKVKSZGYEQTZOU-IAGOWNOFSA-N 0 0 331.366 3.532 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(F)cc(Cl)c3)CCO2)o1 ZINC000154592447 1029232915 /nfs/dbraw/zinc/23/29/15/1029232915.db2.gz NBBGRCXWQRBTAL-HNNXBMFYSA-N 0 0 338.766 3.986 10 0 EHAERN COCc1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000078186153 1029239097 /nfs/dbraw/zinc/23/90/97/1029239097.db2.gz PKVAWOWKZOSHPJ-BEFAXECRSA-N 0 0 339.435 3.860 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000078188122 1029239482 /nfs/dbraw/zinc/23/94/82/1029239482.db2.gz UYEHKUDHWXGZLR-ZBFHGGJFSA-N 0 0 347.418 3.657 10 0 EHAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1C(=O)N(C)C ZINC000248452963 1029251364 /nfs/dbraw/zinc/25/13/64/1029251364.db2.gz YXJWIQKJWGPMSR-QILLFSRXSA-N 0 0 343.471 3.739 10 0 EHAERN CCC(=O)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000154650858 1029261593 /nfs/dbraw/zinc/26/15/93/1029261593.db2.gz SBWCCIYLWDXJRC-GOSISDBHSA-N 0 0 342.395 3.786 10 0 EHAERN CCCn1c(C)nnc1CN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245802675 1029319525 /nfs/dbraw/zinc/31/95/25/1029319525.db2.gz PNEYKGQZZSBNAR-APWZRJJASA-N 0 0 342.487 3.575 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245850566 1029379735 /nfs/dbraw/zinc/37/97/35/1029379735.db2.gz MGYBRDCEDHCCQT-QWFCFKBJSA-N 0 0 339.483 3.952 10 0 EHAERN C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccncc1 ZINC000155026971 1029406958 /nfs/dbraw/zinc/40/69/58/1029406958.db2.gz LNYRDONFASHCAE-CJNGLKHVSA-N 0 0 325.412 3.744 10 0 EHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2noc3c2CCCCC3)C12CCCC2 ZINC000154276241 1029431512 /nfs/dbraw/zinc/43/15/12/1029431512.db2.gz JYMYDEAUBAZHHO-SJORKVTESA-N 0 0 346.471 3.753 10 0 EHAERN CCCn1c(C)nnc1CN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000245904386 1029453587 /nfs/dbraw/zinc/45/35/87/1029453587.db2.gz UMVAEPAGLQWPSC-KDOFPFPSSA-N 0 0 330.501 3.675 10 0 EHAERN Cc1csc(C2CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)CC2)n1 ZINC000155531886 1029563076 /nfs/dbraw/zinc/56/30/76/1029563076.db2.gz NVNFTOSXPPKNJR-LLVKDONJSA-N 0 0 346.500 3.691 10 0 EHAERN c1ccc(Cc2noc(CN3CCS[C@H]4CCCC[C@H]43)n2)cc1 ZINC000246064812 1029621661 /nfs/dbraw/zinc/62/16/61/1029621661.db2.gz BPYNEKMJPZUMLH-CVEARBPZSA-N 0 0 329.469 3.520 10 0 EHAERN Cc1csc(C2CCN(CC(=O)Nc3cccc(C)c3)CC2)n1 ZINC000156754199 1029996271 /nfs/dbraw/zinc/99/62/71/1029996271.db2.gz YGMQPXYSEJWRGG-UHFFFAOYSA-N 0 0 329.469 3.578 10 0 EHAERN C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cn1 ZINC000156813789 1030059191 /nfs/dbraw/zinc/05/91/91/1030059191.db2.gz FBQOBKKENKQJKP-NSHDSACASA-N 0 0 348.811 3.925 10 0 EHAERN C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1ccc(O)cc1 ZINC000156836373 1030067197 /nfs/dbraw/zinc/06/71/97/1030067197.db2.gz HBZYSLGJLPGTFJ-GFCCVEGCSA-N 0 0 329.377 3.582 10 0 EHAERN CCOc1ccc([C@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)cc1 ZINC000091031049 1030212387 /nfs/dbraw/zinc/21/23/87/1030212387.db2.gz HEAMHDLXZTVDIH-WOJBJXKFSA-N 0 0 339.435 3.873 10 0 EHAERN C[C@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccncc1 ZINC000114912408 1030381796 /nfs/dbraw/zinc/38/17/96/1030381796.db2.gz TZLRGCKKIAOFCE-AWEZNQCLSA-N 0 0 349.438 3.608 10 0 EHAERN COc1ccc(F)cc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000092105433 1030387383 /nfs/dbraw/zinc/38/73/83/1030387383.db2.gz NQKVWWASKMFTPF-NSHDSACASA-N 0 0 335.404 3.702 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3F)CCO2)o1 ZINC000093864865 1030687184 /nfs/dbraw/zinc/68/71/84/1030687184.db2.gz XDOJZFDBJDWXHE-SFHVURJKSA-N 0 0 341.386 3.691 10 0 EHAERN COc1cc(Cl)ccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632064 1030688876 /nfs/dbraw/zinc/68/88/76/1030688876.db2.gz YUZGFCLESKBAMV-UHFFFAOYSA-N 0 0 329.743 3.651 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000170632168 1030689536 /nfs/dbraw/zinc/68/95/36/1030689536.db2.gz MEAIXEUUVFRPMC-QZTJIDSGSA-N 0 0 349.390 3.843 10 0 EHAERN O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc(-c2ncon2)c1 ZINC000170632680 1030692012 /nfs/dbraw/zinc/69/20/12/1030692012.db2.gz GBRHBRBYTWHGFB-UHFFFAOYSA-N 0 0 345.305 3.519 10 0 EHAERN C[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000170883028 1030709125 /nfs/dbraw/zinc/70/91/25/1030709125.db2.gz LWSKOERLNIWBPD-KXBFYZLASA-N 0 0 332.407 3.626 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)COc2cc(F)ccc2F)cc1 ZINC000171512753 1030788124 /nfs/dbraw/zinc/78/81/24/1030788124.db2.gz TYVWWYPPXIDHIP-KRWDZBQOSA-N 0 0 347.361 3.716 10 0 EHAERN CSc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171609903 1030799432 /nfs/dbraw/zinc/79/94/32/1030799432.db2.gz BRKCCGNUXGAPFR-UHFFFAOYSA-N 0 0 326.465 3.898 10 0 EHAERN COc1ccc([C@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171609212 1030799984 /nfs/dbraw/zinc/79/99/84/1030799984.db2.gz MTLGAHACJYCMAO-INIZCTEOSA-N 0 0 338.451 3.675 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)[C@H](C)C1 ZINC000171950632 1030851664 /nfs/dbraw/zinc/85/16/64/1030851664.db2.gz BPTDKURRXMOCGX-FMKPAKJESA-N 0 0 348.512 3.541 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)[C@H](C)C1 ZINC000171950639 1030852371 /nfs/dbraw/zinc/85/23/71/1030852371.db2.gz BPTDKURRXMOCGX-IIAWOOMASA-N 0 0 348.512 3.541 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000172215456 1030871291 /nfs/dbraw/zinc/87/12/91/1030871291.db2.gz DWDRIPOTRCNXBU-CYBMUJFWSA-N 0 0 331.441 3.872 10 0 EHAERN CC(C)(C)C1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000172299417 1030878590 /nfs/dbraw/zinc/87/85/90/1030878590.db2.gz DUSYSBNEYIZQNJ-INIZCTEOSA-N 0 0 346.496 3.774 10 0 EHAERN C[C@@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)c1ccncc1 ZINC000115784646 1030916084 /nfs/dbraw/zinc/91/60/84/1030916084.db2.gz IXIWBDIABZWVMA-RHSMWYFYSA-N 0 0 327.453 3.642 10 0 EHAERN CCC(CC)(CC)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172730882 1030987537 /nfs/dbraw/zinc/98/75/37/1030987537.db2.gz RWIGHKOLXJLVSE-UHFFFAOYSA-N 0 0 348.462 3.763 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)C2)n1 ZINC000248547595 1030987934 /nfs/dbraw/zinc/98/79/34/1030987934.db2.gz JQOUQNUYRRVOJK-OLMNPRSZSA-N 0 0 346.519 3.596 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2cc(C)on2)cc1 ZINC000173759229 1031105036 /nfs/dbraw/zinc/10/50/36/1031105036.db2.gz YEWKCTYBYLLEJL-KRWDZBQOSA-N 0 0 346.452 3.589 10 0 EHAERN C[C@H](C(=O)N1CCC(Cc2ccccn2)CC1)c1cccc(F)c1 ZINC000173608009 1031119478 /nfs/dbraw/zinc/11/94/78/1031119478.db2.gz FHADBURIBPSTRT-HNNXBMFYSA-N 0 0 326.415 3.806 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1Cl ZINC000251680743 1031155737 /nfs/dbraw/zinc/15/57/37/1031155737.db2.gz IYAQKMKOCWSNQH-MRCXROJRSA-N 0 0 329.227 3.991 10 0 EHAERN COc1ccccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174072318 1031159915 /nfs/dbraw/zinc/15/99/15/1031159915.db2.gz NKIRGZDIUVYRBX-UHFFFAOYSA-N 0 0 328.387 3.551 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1Cl ZINC000251680738 1031160618 /nfs/dbraw/zinc/16/06/18/1031160618.db2.gz IYAQKMKOCWSNQH-BHYNMZESSA-N 0 0 329.227 3.991 10 0 EHAERN Cc1ccc(F)cc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174081165 1031163746 /nfs/dbraw/zinc/16/37/46/1031163746.db2.gz JNDIZYWMVFYAFS-UHFFFAOYSA-N 0 0 330.378 3.990 10 0 EHAERN O=C(CCc1cccs1)N1CCC(Nc2ccccc2F)CC1 ZINC000174074851 1031164595 /nfs/dbraw/zinc/16/45/95/1031164595.db2.gz JORPNLKXWAMUHD-UHFFFAOYSA-N 0 0 332.444 3.923 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C3CCC(C)(C)CC3)CC2)n1 ZINC000158547953 1031415654 /nfs/dbraw/zinc/41/56/54/1031415654.db2.gz ONZRDJAKWRJYRR-UHFFFAOYSA-N 0 0 329.488 3.691 10 0 EHAERN CC(C)(C)c1ncsc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000176749822 1031457175 /nfs/dbraw/zinc/45/71/75/1031457175.db2.gz GZKLGGFQSZHXHR-NSHDSACASA-N 0 0 335.498 3.917 10 0 EHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ncncc2Cl)o1 ZINC000177663531 1031585924 /nfs/dbraw/zinc/58/59/24/1031585924.db2.gz KXUPUUADEGUKPP-RISCZKNCSA-N 0 0 333.819 3.899 10 0 EHAERN C[C@@H](NC(=O)c1ncncc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000177700152 1031590131 /nfs/dbraw/zinc/59/01/31/1031590131.db2.gz CECALDQXETVKDK-GFCCVEGCSA-N 0 0 338.798 3.683 10 0 EHAERN Cc1cc(OC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1F ZINC000177976086 1031603167 /nfs/dbraw/zinc/60/31/67/1031603167.db2.gz LESIAOFIZXTBCX-UHFFFAOYSA-N 0 0 347.411 3.653 10 0 EHAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)C(c1ccccc1)c1ccccc1 ZINC000178300666 1031651067 /nfs/dbraw/zinc/65/10/67/1031651067.db2.gz GGQZHXHPYGLOOZ-IRLDBZIGSA-N 0 0 343.426 3.593 10 0 EHAERN Cc1ccc([C@H]2CN(CC(=O)Nc3cccc(Cl)c3C)CCO2)o1 ZINC000158826862 1031666147 /nfs/dbraw/zinc/66/61/47/1031666147.db2.gz VTYFPXFGGGAATF-QGZVFWFLSA-N 0 0 348.830 3.562 10 0 EHAERN CC1(C)CCC[C@H](C(=O)N2CCCN(C(=O)c3cccs3)CC2)C1 ZINC000178909902 1031720391 /nfs/dbraw/zinc/72/03/91/1031720391.db2.gz MHECTBIJYFMHKY-HNNXBMFYSA-N 0 0 348.512 3.639 10 0 EHAERN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccccc2)C1 ZINC000102438621 1031757331 /nfs/dbraw/zinc/75/73/31/1031757331.db2.gz KLQCDMJRMLHORG-HNNXBMFYSA-N 0 0 345.830 3.749 10 0 EHAERN CS[C@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179348495 1031769943 /nfs/dbraw/zinc/76/99/43/1031769943.db2.gz JJKXHMZQOKQTRR-IRXDYDNUSA-N 0 0 331.437 3.592 10 0 EHAERN CCOc1ccc(C(C)=O)cc1CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000179507702 1031781088 /nfs/dbraw/zinc/78/10/88/1031781088.db2.gz XUTQQSGMAMBCSJ-HXUWFJFHSA-N 0 0 343.423 3.763 10 0 EHAERN CC(C)(NC(=O)Nc1c[nH]nc1-c1ccccc1)c1nccs1 ZINC000179510529 1031781124 /nfs/dbraw/zinc/78/11/24/1031781124.db2.gz RGPFQXSYTUJMDM-UHFFFAOYSA-N 0 0 327.413 3.590 10 0 EHAERN O=C(C[C@H](O)c1cccc(F)c1)N1CC=C(c2ccccc2)CC1 ZINC000179605264 1031793215 /nfs/dbraw/zinc/79/32/15/1031793215.db2.gz HFJMZPKHVVSVEL-IBGZPJMESA-N 0 0 325.383 3.565 10 0 EHAERN CCc1noc(-c2ccc(C)c(N[C@H](C)c3cnn(CC)c3)c2)n1 ZINC000180032814 1031830445 /nfs/dbraw/zinc/83/04/45/1031830445.db2.gz YYCSDLZZMJHHGS-CYBMUJFWSA-N 0 0 325.416 3.997 10 0 EHAERN Cc1cc(C)nc(SCC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000117857087 1031911483 /nfs/dbraw/zinc/91/14/83/1031911483.db2.gz KVODUBPUCSECFD-UHFFFAOYSA-N 0 0 345.493 3.563 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc4ncccc4c3)CC2)nc1 ZINC000180850472 1031914129 /nfs/dbraw/zinc/91/41/29/1031914129.db2.gz CZYPREJTKKYOHJ-UHFFFAOYSA-N 0 0 347.418 3.622 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3C)CC2)nc1 ZINC000180860589 1031916014 /nfs/dbraw/zinc/91/60/14/1031916014.db2.gz YEWSSQSOOWIBSZ-UHFFFAOYSA-N 0 0 328.387 3.521 10 0 EHAERN CC(C)=CCOc1cccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000181193740 1031952984 /nfs/dbraw/zinc/95/29/84/1031952984.db2.gz JOIWGHDMJPXKDL-KRWDZBQOSA-N 0 0 340.427 3.517 10 0 EHAERN C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000181209514 1031955920 /nfs/dbraw/zinc/95/59/20/1031955920.db2.gz GGNBJEPUVWEDAW-PKOBYXMFSA-N 0 0 325.456 3.533 10 0 EHAERN CCCCC[C@H](CC)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000181489372 1031998138 /nfs/dbraw/zinc/99/81/38/1031998138.db2.gz MYYVWIBHMLRMQP-JZXOWHBKSA-N 0 0 334.504 3.595 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@H](C)c3cccc(F)c3)CC2)nc1 ZINC000181567662 1032004403 /nfs/dbraw/zinc/00/44/03/1032004403.db2.gz NIZLAHAWMKLXPY-OAHLLOKOSA-N 0 0 342.414 3.703 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c(C)cc(C)nc1Cl ZINC000181955373 1032048220 /nfs/dbraw/zinc/04/82/20/1032048220.db2.gz BAGLDYBAMIEVGL-CQSZACIVSA-N 0 0 346.862 3.679 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000105199508 1033408130 /nfs/dbraw/zinc/40/81/30/1033408130.db2.gz JGRJYAJWBIJBQQ-AWEZNQCLSA-N 0 0 330.428 3.850 10 0 EHAERN Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)CC(=O)NC(C)(C)C ZINC000105662930 1033504494 /nfs/dbraw/zinc/50/44/94/1033504494.db2.gz ANZWEPXFGZYSMW-HSZRJFAPSA-N 0 0 337.529 3.764 10 0 EHAERN CC1(C)C[C@H](NC(=O)NCCOC2CCCC2)c2ccccc2O1 ZINC000158937428 1033954783 /nfs/dbraw/zinc/95/47/83/1033954783.db2.gz RIAZQRWPWHBFOR-INIZCTEOSA-N 0 0 332.444 3.547 10 0 EHAERN Cc1cccc(C)c1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101738854 1034149916 /nfs/dbraw/zinc/14/99/16/1034149916.db2.gz MPNAPTMVBOHVMP-MRXNPFEDSA-N 0 0 345.487 3.708 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ncc(C)s3)C2)cc1 ZINC000120816852 1034176235 /nfs/dbraw/zinc/17/62/35/1034176235.db2.gz NGVAYTAMPWXRKG-FZMZJTMJSA-N 0 0 331.441 3.870 10 0 EHAERN CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@H]2CCCCC(=O)N2)no1 ZINC000329926938 1034805913 /nfs/dbraw/zinc/80/59/13/1034805913.db2.gz WOUVNJOGYDHXCQ-ZIAGYGMSSA-N 0 0 348.447 3.536 10 0 EHAERN CS[C@H](C)CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121342687 1034837785 /nfs/dbraw/zinc/83/77/85/1034837785.db2.gz SBFXVDWPZLNOTR-ZBFHGGJFSA-N 0 0 343.496 3.924 10 0 EHAERN CS[C@H](C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121343019 1034840380 /nfs/dbraw/zinc/84/03/80/1034840380.db2.gz SBFXVDWPZLNOTR-GDBMZVCRSA-N 0 0 343.496 3.924 10 0 EHAERN c1[nH]nc(-c2ccccc2)c1CNCc1ncc(-c2ccccc2)cn1 ZINC000185876372 1035551354 /nfs/dbraw/zinc/55/13/54/1035551354.db2.gz INISKTBCVSRCIY-UHFFFAOYSA-N 0 0 341.418 3.824 10 0 EHAERN COc1ccc(F)cc1CC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000185890221 1035557337 /nfs/dbraw/zinc/55/73/37/1035557337.db2.gz MYHLNGRGIRDVRB-UHFFFAOYSA-N 0 0 348.443 3.548 10 0 EHAERN COC(=O)[C@@]1(C)CCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000186321956 1035614918 /nfs/dbraw/zinc/61/49/18/1035614918.db2.gz BDQMLPGZURAEMK-QGZVFWFLSA-N 0 0 334.803 3.523 10 0 EHAERN C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186573279 1035659068 /nfs/dbraw/zinc/65/90/68/1035659068.db2.gz VLRXXPLZNHNRCT-DOMZBBRYSA-N 0 0 330.432 3.706 10 0 EHAERN CCC[C@@H](Nc1cccc2c1CCN2C(=O)COC)c1ccccn1 ZINC000186600806 1035665617 /nfs/dbraw/zinc/66/56/17/1035665617.db2.gz BSLHSLUWICZZAH-GOSISDBHSA-N 0 0 339.439 3.570 10 0 EHAERN C[C@H]1CC(NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](C)C1 ZINC000186646979 1035678761 /nfs/dbraw/zinc/67/87/61/1035678761.db2.gz PKOLPXYQEPTKFO-VXGBXAGGSA-N 0 0 330.432 3.610 10 0 EHAERN CCOc1c(F)cccc1C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187027079 1035742812 /nfs/dbraw/zinc/74/28/12/1035742812.db2.gz NSXPFUYOHHMMFI-HNNXBMFYSA-N 0 0 334.416 3.967 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(n3cncn3)CC2)CC1 ZINC000187049309 1035746142 /nfs/dbraw/zinc/74/61/42/1035746142.db2.gz YWKWUISDDHZODE-HZPDHXFCSA-N 0 0 347.507 3.620 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cnn(CC(C)C)c2C)cs1 ZINC000188119298 1035900135 /nfs/dbraw/zinc/90/01/35/1035900135.db2.gz RZBVKPSDZCYOKJ-INIZCTEOSA-N 0 0 332.473 3.590 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H](c2ccccc2)CC1 ZINC000188429068 1035936182 /nfs/dbraw/zinc/93/61/82/1035936182.db2.gz HKIUTRVCGISJGC-MRXNPFEDSA-N 0 0 334.419 3.591 10 0 EHAERN COc1ccc(CN(C)C(=O)N[C@H]2CCOc3c(C)cccc32)cc1 ZINC000188621189 1035965722 /nfs/dbraw/zinc/96/57/22/1035965722.db2.gz HNPDOYYVGZHEMB-SFHVURJKSA-N 0 0 340.423 3.669 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)COC3)cs1 ZINC000189266927 1036048426 /nfs/dbraw/zinc/04/84/26/1036048426.db2.gz FRCFWJWSIUQKJC-INIZCTEOSA-N 0 0 329.425 3.851 10 0 EHAERN CN(C)c1cccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000189388188 1036063914 /nfs/dbraw/zinc/06/39/14/1036063914.db2.gz KLQFBRVYSHUAKI-INIZCTEOSA-N 0 0 343.496 3.548 10 0 EHAERN COc1ccc(CN2CCC(Nc3nccs3)CC2)cc1Cl ZINC000189960307 1036168127 /nfs/dbraw/zinc/16/81/27/1036168127.db2.gz IMSRJOQSMNKTMS-UHFFFAOYSA-N 0 0 337.876 3.882 10 0 EHAERN O=C(Nc1ccccc1SC(F)(F)F)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190010676 1036182962 /nfs/dbraw/zinc/18/29/62/1036182962.db2.gz QUVUPMKBZUAMKI-YUSALJHKSA-N 0 0 346.374 3.988 10 0 EHAERN O=C(Nc1cccc(SC(F)F)c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190111470 1036192837 /nfs/dbraw/zinc/19/28/37/1036192837.db2.gz JBSVVKXDEQVPTO-UPJWGTAASA-N 0 0 328.384 3.690 10 0 EHAERN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190152093 1036199485 /nfs/dbraw/zinc/19/94/85/1036199485.db2.gz ZGJOXLLEDAKOBN-UNEWFSDZSA-N 0 0 349.862 3.629 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2cc(-c3ccncc3)on2)n1 ZINC000190362689 1036229877 /nfs/dbraw/zinc/22/98/77/1036229877.db2.gz XSJRQAURCKJGEV-WFASDCNBSA-N 0 0 340.383 3.705 10 0 EHAERN Cc1nn(Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c(C)c1Cl ZINC000190365005 1036230169 /nfs/dbraw/zinc/23/01/69/1036230169.db2.gz KEUKUUFLQSCKFJ-FZMZJTMJSA-N 0 0 338.839 3.503 10 0 EHAERN Cc1ccc(CCC(=O)N2CCC(Nc3nccs3)CC2)c(C)c1 ZINC000190374660 1036231860 /nfs/dbraw/zinc/23/18/60/1036231860.db2.gz ZTXURBVYMCQEQY-UHFFFAOYSA-N 0 0 343.496 3.796 10 0 EHAERN O=C([C@H](c1ccccc1)C1CC1)N1CCC(Nc2nccs2)CC1 ZINC000190437188 1036239737 /nfs/dbraw/zinc/23/97/37/1036239737.db2.gz FVOMLRYIDLUQQD-QGZVFWFLSA-N 0 0 341.480 3.740 10 0 EHAERN O=C(CCc1cscn1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191198512 1036345110 /nfs/dbraw/zinc/34/51/10/1036345110.db2.gz HBYXPINVNQHVJR-GFCCVEGCSA-N 0 0 336.407 3.760 10 0 EHAERN Cc1nnc(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)s1 ZINC000191490844 1036390356 /nfs/dbraw/zinc/39/03/56/1036390356.db2.gz DRKXTPCZHYXOEK-SNVBAGLBSA-N 0 0 338.383 3.536 10 0 EHAERN C=Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000191895993 1036438439 /nfs/dbraw/zinc/43/84/39/1036438439.db2.gz UXSCQDGXLIJMTH-UHFFFAOYSA-N 0 0 349.434 3.756 10 0 EHAERN COCc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000192500713 1036511853 /nfs/dbraw/zinc/51/18/53/1036511853.db2.gz XETJAIFSYRQXNC-AWEZNQCLSA-N 0 0 331.441 3.701 10 0 EHAERN C[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000192647537 1036520575 /nfs/dbraw/zinc/52/05/75/1036520575.db2.gz NLRAFHXBBKJLNX-AWEZNQCLSA-N 0 0 325.387 3.781 10 0 EHAERN COc1cccc2c1CCN(C(=O)c1c(C)cc(C)nc1Cl)CC2 ZINC000192604839 1036532938 /nfs/dbraw/zinc/53/29/38/1036532938.db2.gz QPSOWVPEKFRKNC-UHFFFAOYSA-N 0 0 344.842 3.601 10 0 EHAERN Cc1cccc(CNC(=O)NCC(C)(C)c2ccccc2Cl)n1 ZINC000102782601 1036654531 /nfs/dbraw/zinc/65/45/31/1036654531.db2.gz KGUHRKDLDPEPFA-UHFFFAOYSA-N 0 0 331.847 3.820 10 0 EHAERN O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000092880560 1036861558 /nfs/dbraw/zinc/86/15/58/1036861558.db2.gz DTOYOCNGWIBJGT-QZTJIDSGSA-N 0 0 344.455 3.577 10 0 EHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)cc2)n1 ZINC000103365860 1036875338 /nfs/dbraw/zinc/87/53/38/1036875338.db2.gz CYFHDADHOAHBLR-HZPDHXFCSA-N 0 0 325.456 3.951 10 0 EHAERN CC(C)c1noc(-c2ccc(NC(=O)N(C)C[C@@H]3CCCO3)cc2)n1 ZINC000103291362 1036881569 /nfs/dbraw/zinc/88/15/69/1036881569.db2.gz YGQMPNWUMZWUSO-HNNXBMFYSA-N 0 0 344.415 3.503 10 0 EHAERN C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000103974716 1036955936 /nfs/dbraw/zinc/95/59/36/1036955936.db2.gz AGBKAOLXXAWKIH-ZDUSSCGKSA-N 0 0 348.368 3.623 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2COc3ccccc32)o1 ZINC000174439410 1036974998 /nfs/dbraw/zinc/97/49/98/1036974998.db2.gz VZUFHOLLAIBFTO-HOTGVXAUSA-N 0 0 326.396 3.958 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000105237786 1037159294 /nfs/dbraw/zinc/15/92/94/1037159294.db2.gz QZPXFVMDDPFKJD-CQSZACIVSA-N 0 0 332.473 3.572 10 0 EHAERN c1cc(-c2noc(CN3CCC(OCc4ccccc4)CC3)n2)co1 ZINC000105607772 1037204238 /nfs/dbraw/zinc/20/42/38/1037204238.db2.gz SPBYKGIYJOJDKO-UHFFFAOYSA-N 0 0 339.395 3.511 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@H]2CCCC[C@@H]21 ZINC000176850413 1037216784 /nfs/dbraw/zinc/21/67/84/1037216784.db2.gz HCFRJAQLXFXSNU-KBPBESRZSA-N 0 0 331.309 3.628 10 0 EHAERN COc1ccccc1CCN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000104456454 1037295060 /nfs/dbraw/zinc/29/50/60/1037295060.db2.gz MEQSCJPRUHXBPX-UHFFFAOYSA-N 0 0 336.435 3.810 10 0 EHAERN COc1ccccc1CCN(C)C(=O)C[C@@H](C)c1ccccc1OC ZINC000104461540 1037297696 /nfs/dbraw/zinc/29/76/96/1037297696.db2.gz DFFWDNQPDULTES-MRXNPFEDSA-N 0 0 341.451 3.899 10 0 EHAERN O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000104277325 1037468826 /nfs/dbraw/zinc/46/88/26/1037468826.db2.gz RCGCYCAGOOCEHC-CVEARBPZSA-N 0 0 345.830 3.514 10 0 EHAERN CCc1cccc2c(CC(=O)Nc3cccc(-c4ncon4)c3)c[nH]c21 ZINC000109266787 1037662893 /nfs/dbraw/zinc/66/28/93/1037662893.db2.gz AJUZQOMUISTWQQ-UHFFFAOYSA-N 0 0 346.390 3.962 10 0 EHAERN CCn1cnnc1[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000110752167 1037719872 /nfs/dbraw/zinc/71/98/72/1037719872.db2.gz YFEJENWMIVXVOJ-YESZJQIVSA-N 0 0 346.519 3.857 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1C ZINC000113217198 1037778580 /nfs/dbraw/zinc/77/85/80/1037778580.db2.gz NXHSUDKQGAVNPU-QGZVFWFLSA-N 0 0 348.450 3.743 10 0 EHAERN COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116413596 1037840169 /nfs/dbraw/zinc/84/01/69/1037840169.db2.gz GEMLRVFTODNDEA-CJNGLKHVSA-N 0 0 344.411 3.905 10 0 EHAERN CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117601280 1037853657 /nfs/dbraw/zinc/85/36/57/1037853657.db2.gz JNWABBPLFUVPPI-ACJLOTCBSA-N 0 0 338.407 3.784 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000117588624 1037854879 /nfs/dbraw/zinc/85/48/79/1037854879.db2.gz MNZAECJQWZOYEP-SGTLLEGYSA-N 0 0 336.391 3.538 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1Br ZINC000117560599 1037855866 /nfs/dbraw/zinc/85/58/66/1037855866.db2.gz ATIUEDSRXXQIED-BMIGLBTASA-N 0 0 332.197 3.952 10 0 EHAERN CCOc1cc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)ccc1OC ZINC000117616903 1037858722 /nfs/dbraw/zinc/85/87/22/1037858722.db2.gz XUIULIVWWLXAQS-XIKOKIGWSA-N 0 0 327.380 3.597 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000117791953 1037860613 /nfs/dbraw/zinc/86/06/13/1037860613.db2.gz DIANEJSIVNBFHR-BZNIZROVSA-N 0 0 330.453 3.622 10 0 EHAERN O=C(c1ccc(-n2cccn2)cc1)N1CC=C(c2cccs2)CC1 ZINC000117720310 1037860738 /nfs/dbraw/zinc/86/07/38/1037860738.db2.gz XXVMXDJYIZZEID-UHFFFAOYSA-N 0 0 335.432 3.863 10 0 EHAERN COc1cc(C)cc(C(=O)N2CC=C(c3cccs3)CC2)c1O ZINC000117989842 1037862916 /nfs/dbraw/zinc/86/29/16/1037862916.db2.gz NXLNHJLEOPYNDF-UHFFFAOYSA-N 0 0 329.421 3.700 10 0 EHAERN Cc1nc(C)c(CCNC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000117966441 1037863062 /nfs/dbraw/zinc/86/30/62/1037863062.db2.gz DZHJXLCNRDFBQL-UHFFFAOYSA-N 0 0 347.509 3.863 10 0 EHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000120950034 1037947515 /nfs/dbraw/zinc/94/75/15/1037947515.db2.gz MBHPIRHSBARKRN-FUMNGEBKSA-N 0 0 327.468 3.941 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000332775184 1037952511 /nfs/dbraw/zinc/95/25/11/1037952511.db2.gz MEYWGOOCFSDFAA-IMBTUZDBSA-N 0 0 347.503 3.874 10 0 EHAERN COc1ccc2oc(CN[C@H](c3nnc(C)[nH]3)c3ccccc3)cc2c1 ZINC000124878457 1038247543 /nfs/dbraw/zinc/24/75/43/1038247543.db2.gz ZROYDWQIPIQSBA-IBGZPJMESA-N 0 0 348.406 3.747 10 0 EHAERN CCC1(CO)CCN(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000124617663 1039008524 /nfs/dbraw/zinc/00/85/24/1039008524.db2.gz ONSZJWIZGCPJHW-YJBOKZPZSA-N 0 0 330.472 3.819 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H](C)C1 ZINC000155402568 1040406058 /nfs/dbraw/zinc/40/60/58/1040406058.db2.gz NUNOTQDTLDZDJG-GJZGRUSLSA-N 0 0 329.444 3.713 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000171465680 1040504993 /nfs/dbraw/zinc/50/49/93/1040504993.db2.gz RDNLVBROSOJLRS-IRXDYDNUSA-N 0 0 344.846 3.608 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1ccccc1Cl ZINC000330243514 1040687858 /nfs/dbraw/zinc/68/78/58/1040687858.db2.gz JURBTBWDXNHZLW-UKRRQHHQSA-N 0 0 344.846 3.662 10 0 EHAERN CC(C)[C@@H](NC(=O)N1CCCCC(C)(C)C1)c1nc(C2CC2)no1 ZINC000408444314 1040813635 /nfs/dbraw/zinc/81/36/35/1040813635.db2.gz UPJZKRPCSZBXLL-CQSZACIVSA-N 0 0 334.464 3.866 10 0 EHAERN Cc1nc([C@H]2CCCN2c2nc(C)nc3sc(C)c(C)c32)no1 ZINC000408100752 1041206467 /nfs/dbraw/zinc/20/64/67/1041206467.db2.gz UPPTUJBHFWBRDJ-GFCCVEGCSA-N 0 0 329.429 3.649 10 0 EHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@]1(C)CC1(Cl)Cl)CCC2 ZINC000110526070 1041515852 /nfs/dbraw/zinc/51/58/52/1041515852.db2.gz WEUSLRUODGJZPL-GWCFXTLKSA-N 0 0 333.284 3.871 10 0 EHAERN O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408189852 1042319037 /nfs/dbraw/zinc/31/90/37/1042319037.db2.gz YLBBAFSSAPWJSG-UZLBHIALSA-N 0 0 339.439 3.841 10 0 EHAERN CC(C)C1CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000119412600 1042376722 /nfs/dbraw/zinc/37/67/22/1042376722.db2.gz FCZLPUNBSNXYLN-KVULBXGLSA-N 0 0 346.496 3.821 10 0 EHAERN C[C@H](CC(=O)N1CCC(Cc2nccn2C)CC1)C1CCCCC1 ZINC000162495581 1042734232 /nfs/dbraw/zinc/73/42/32/1042734232.db2.gz OFJNOPQSFUJAER-MRXNPFEDSA-N 0 0 331.504 3.808 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@@H](C)C1 ZINC000121395239 1042766040 /nfs/dbraw/zinc/76/60/40/1042766040.db2.gz GEQLODVBALQFCU-CABCVRRESA-N 0 0 326.444 3.987 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000408340894 1043353937 /nfs/dbraw/zinc/35/39/37/1043353937.db2.gz PPTARMAXWCTUQS-XMTJMIHESA-N 0 0 343.467 3.660 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000408360101 1043715752 /nfs/dbraw/zinc/71/57/52/1043715752.db2.gz RVQBCKCSQJDTFZ-XUWXXGDYSA-N 0 0 336.863 3.738 10 0 EHAERN CO[C@@]1(C)CCCN(C(=O)Nc2cc(C)cc3cccnc32)CC1 ZINC000408389700 1044628280 /nfs/dbraw/zinc/62/82/80/1044628280.db2.gz NHWOZQLJMPMVGF-IBGZPJMESA-N 0 0 327.428 3.966 10 0 EHAERN CCn1cc(Br)cc1C(=O)N1CCCC12CCCC2 ZINC000365554911 1127391727 /nfs/dbraw/zinc/39/17/27/1127391727.db2.gz FBIBFIQAXLODJU-UHFFFAOYSA-N 0 0 325.250 3.819 10 0 EHAERN Cn1cnc(-c2ccc(NC(=O)C/C=C\c3ccc(F)cc3)cc2)n1 ZINC000588432899 1129450639 /nfs/dbraw/zinc/45/06/39/1129450639.db2.gz SPBWZOQDJIOCON-IHWYPQMZSA-N 0 0 336.370 3.663 10 0 EHAERN C[C@@H](NC(=O)N[C@@H]1CCCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000282689508 1131141540 /nfs/dbraw/zinc/14/15/40/1131141540.db2.gz WXBAJFQXTKQEJG-MLGOLLRUSA-N 0 0 338.398 3.674 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N[C@H](C)[C@H]2CCCO2)s1 ZINC000189478307 1132445784 /nfs/dbraw/zinc/44/57/84/1132445784.db2.gz NBYYTAMAEFZTRJ-TZMCWYRMSA-N 0 0 331.441 3.808 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(N(C)C)cc3)c21 ZINC000103231950 1132757101 /nfs/dbraw/zinc/75/71/01/1132757101.db2.gz SOIMVOBEOODPKQ-UHFFFAOYSA-N 0 0 336.439 3.907 10 0 EHAERN CCC[C@H](C(=O)NCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000103444722 1132895676 /nfs/dbraw/zinc/89/56/76/1132895676.db2.gz PCPZIJCTJAWEHW-INIZCTEOSA-N 0 0 334.460 3.601 10 0 EHAERN Cc1cccc(CCCOC(=O)Cc2csc(C(C)(C)C)n2)n1 ZINC000102600848 1135602333 /nfs/dbraw/zinc/60/23/33/1135602333.db2.gz LZCYFNLYTXNHAS-UHFFFAOYSA-N 0 0 332.469 3.863 10 0 EHAERN CCOCCO[C@@H](C)C(=O)OC(c1ccccc1)c1ccccc1 ZINC000105760170 1135974544 /nfs/dbraw/zinc/97/45/44/1135974544.db2.gz ACINMXYJQWDDRP-INIZCTEOSA-N 0 0 328.408 3.761 10 0 EHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3cc(C)c(C)s3)C2)c1 ZINC000102383526 1137872887 /nfs/dbraw/zinc/87/28/87/1137872887.db2.gz NNEHEKHBLHAOOS-HNNXBMFYSA-N 0 0 344.480 3.630 10 0 EHAERN CC[C@@H](NC(=O)N(C)CCOc1ccc(C)cc1)c1nc(C)cs1 ZINC000105305474 1137880669 /nfs/dbraw/zinc/88/06/69/1137880669.db2.gz IRWZQNROKSVEQD-MRXNPFEDSA-N 0 0 347.484 3.931 10 0 EHAERN CO[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333149948 1137956643 /nfs/dbraw/zinc/95/66/43/1137956643.db2.gz HTYYVGNKUUBOHU-SOLBZPMBSA-N 0 0 344.455 3.690 10 0 EHAERN COc1cnc(NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)nc1 ZINC000333193044 1137957781 /nfs/dbraw/zinc/95/77/81/1137957781.db2.gz OTSARQZVAKTHOJ-KRWDZBQOSA-N 0 0 340.427 3.943 10 0 EHAERN O=C(NCC1CCCCCC1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000333211880 1137958335 /nfs/dbraw/zinc/95/83/35/1137958335.db2.gz UBWQREPSKGJDTN-ZWKOTPCHSA-N 0 0 331.460 3.571 10 0 EHAERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333431573 1138289496 /nfs/dbraw/zinc/28/94/96/1138289496.db2.gz UPKNDIDMQDEBEV-IVSAIRAKSA-N 0 0 326.440 3.921 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000333605906 1138310606 /nfs/dbraw/zinc/31/06/06/1138310606.db2.gz DIWKXXMWAYANDO-NQZOLGFYSA-N 0 0 336.863 3.531 10 0 EHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000333814464 1138334216 /nfs/dbraw/zinc/33/42/16/1138334216.db2.gz QCRVTSXETPHBGX-AWEZNQCLSA-N 0 0 337.851 3.712 10 0 EHAERN CCCOc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)c1 ZINC000184516790 1140106996 /nfs/dbraw/zinc/10/69/96/1140106996.db2.gz QIPCLUZQEJTWAL-INIZCTEOSA-N 0 0 343.431 3.661 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1 ZINC000188021515 1140279855 /nfs/dbraw/zinc/27/98/55/1140279855.db2.gz YQLJYIDCAPJPCM-AWEZNQCLSA-N 0 0 342.873 3.631 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCCc2ccccc2)cs1 ZINC000189403321 1140341936 /nfs/dbraw/zinc/34/19/36/1140341936.db2.gz HNJUGSZYAZWDTP-KRWDZBQOSA-N 0 0 329.469 3.931 10 0 EHAERN COCCN[C@@H](c1nc(C)cs1)c1ccc(Br)cc1 ZINC000053288733 214175381 /nfs/dbraw/zinc/17/53/81/214175381.db2.gz ATUFOMQZGCBXFM-CYBMUJFWSA-N 0 0 341.274 3.539 10 0 EHAERN COc1ccc([C@@H](O)Cc2ccc(F)cc2Br)cc1 ZINC000053780893 214197479 /nfs/dbraw/zinc/19/74/79/214197479.db2.gz DXGKENWZXNNFAU-HNNXBMFYSA-N 0 0 325.177 3.873 10 0 EHAERN COc1ccccc1[C@@H](O)Cc1cc(F)ccc1Br ZINC000053781023 214197795 /nfs/dbraw/zinc/19/77/95/214197795.db2.gz CYPXEFCAULLDLV-AWEZNQCLSA-N 0 0 325.177 3.873 10 0 EHAERN O=S(=O)(c1cc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000097758496 219054830 /nfs/dbraw/zinc/05/48/30/219054830.db2.gz ZEBYPZFHHKIWNK-UHFFFAOYSA-N 0 0 336.210 3.763 10 0 EHAERN Cc1cc(N[C@@H](C)C(=O)N2CCCCC2)ccc1Br ZINC000055421762 214323356 /nfs/dbraw/zinc/32/33/56/214323356.db2.gz SYTLHDNOFIFSGE-LBPRGKRZSA-N 0 0 325.250 3.570 10 0 EHAERN CC[C@H]1c2ccccc2N(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000100073788 219091039 /nfs/dbraw/zinc/09/10/39/219091039.db2.gz YDZSFDAKRHQJHI-HNNXBMFYSA-N 0 0 344.455 3.926 10 0 EHAERN O=C1N(Cc2cccc(F)c2)c2ccccc2[C@]1(O)c1ccccc1 ZINC000065155666 214834414 /nfs/dbraw/zinc/83/44/14/214834414.db2.gz BZBDJFNDDNZHRT-OAQYLSRUSA-N 0 0 333.362 3.608 10 0 EHAERN O=C(Nc1nc2c(cccc2F)s1)c1cc2ccccc2oc1=O ZINC000004331561 210172635 /nfs/dbraw/zinc/17/26/35/210172635.db2.gz AQJATJSFPLCFKC-UHFFFAOYSA-N 0 0 340.335 3.794 10 0 EHAERN CCCOc1ccc(C(=O)Oc2ccc(C=O)cc2OCC)cc1 ZINC000004201735 210145646 /nfs/dbraw/zinc/14/56/46/210145646.db2.gz NLOMUWSRTVEWIQ-UHFFFAOYSA-N 0 0 328.364 3.906 10 0 EHAERN CC[C@@H](C)Sc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 ZINC000004079430 210115473 /nfs/dbraw/zinc/11/54/73/210115473.db2.gz GSDCLMINDCHEMN-SNVBAGLBSA-N 0 0 337.470 3.619 10 0 EHAERN CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000004011027 210100403 /nfs/dbraw/zinc/10/04/03/210100403.db2.gz FYUSETWRSLPLMK-FUEDEBDSSA-N 0 0 348.830 3.700 10 0 EHAERN Cc1cccc(NC(=O)COc2ncnc3sc4c(c32)CCC4)c1 ZINC000003600055 210063056 /nfs/dbraw/zinc/06/30/56/210063056.db2.gz HACSNMZJRBESIG-UHFFFAOYSA-N 0 0 339.420 3.506 10 0 EHAERN CC[C@@H](NCc1c(C)n(CC(C)C)c2ccccc12)c1ncnn1C ZINC000067741197 215201351 /nfs/dbraw/zinc/20/13/51/215201351.db2.gz GDBBDRBHZHGNDG-GOSISDBHSA-N 0 0 339.487 3.975 10 0 EHAERN CCC(CC)N(CCO)C(=O)c1ccc(Br)cc1Cl ZINC000042509784 213509271 /nfs/dbraw/zinc/50/92/71/213509271.db2.gz OWMFCLKBHHKDRN-UHFFFAOYSA-N 0 0 348.668 3.726 10 0 EHAERN O=Cc1c(Cl)n(-c2cccc(Br)c2)nc1C1CC1 ZINC000103955537 219332124 /nfs/dbraw/zinc/33/21/24/219332124.db2.gz AGZVQPMAZJMGNN-UHFFFAOYSA-N 0 0 325.593 3.978 10 0 EHAERN COC(=O)C1(Nc2ccccc2Br)CCC(C)CC1 ZINC000104174477 219355280 /nfs/dbraw/zinc/35/52/80/219355280.db2.gz DZKDSVBJRWEWEM-UHFFFAOYSA-N 0 0 326.234 3.983 10 0 EHAERN O=C1Nc2cc(Sc3ccc(Br)cc3)ccc2[C@@H]1O ZINC000104286477 219371054 /nfs/dbraw/zinc/37/10/54/219371054.db2.gz NFDZOXWCSRNGDG-ZDUSSCGKSA-N 0 0 336.210 3.586 10 0 EHAERN CCCCC(=O)NC(=S)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000040898142 213398478 /nfs/dbraw/zinc/39/84/78/213398478.db2.gz SSUUPNSNQIABAT-UHFFFAOYSA-N 0 0 336.457 3.503 10 0 EHAERN COc1ccccc1Oc1ncnc(Oc2ccccc2OC)c1N ZINC000040802187 213388173 /nfs/dbraw/zinc/38/81/73/213388173.db2.gz IBMBBYPOBPGXPO-UHFFFAOYSA-N 0 0 339.351 3.661 10 0 EHAERN Nc1c(Nc2nc3ccccc3s2)ncnc1Nc1ccccn1 ZINC000040760993 213384317 /nfs/dbraw/zinc/38/43/17/213384317.db2.gz QJGVDQMEVZMPCS-UHFFFAOYSA-N 0 0 335.396 3.551 10 0 EHAERN COc1ccccc1Oc1ncnc(Nc2ccccc2F)c1N ZINC000040759356 213383609 /nfs/dbraw/zinc/38/36/09/213383609.db2.gz HMVKUTDCTPEXGR-UHFFFAOYSA-N 0 0 326.331 3.742 10 0 EHAERN Cc1nc(Nc2ncnc(N(C)c3ccccc3)c2N)sc1C ZINC000040757768 213382886 /nfs/dbraw/zinc/38/28/86/213382886.db2.gz CCZTYPRQQYDZOA-UHFFFAOYSA-N 0 0 326.429 3.644 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3cc(Cl)ccc3C)c2N)n1 ZINC000040705143 213371835 /nfs/dbraw/zinc/37/18/35/213371835.db2.gz BSNIWTHUJCBWGH-UHFFFAOYSA-N 0 0 328.807 3.567 10 0 EHAERN COc1cccc(NC(=O)Cn2c3ccccc3nc2-c2ccco2)c1 ZINC000040307832 213289709 /nfs/dbraw/zinc/28/97/09/213289709.db2.gz ZYORFXHENUUBPP-UHFFFAOYSA-N 0 0 347.374 3.944 10 0 EHAERN CC(C)N(C(=O)Cn1c2ccccc2nc1-c1ccco1)C(C)C ZINC000040239074 213283770 /nfs/dbraw/zinc/28/37/70/213283770.db2.gz VFDKPUVQUYDMFV-UHFFFAOYSA-N 0 0 325.412 3.942 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)Cn1ccc(=O)c2cccc(F)c21 ZINC000039963407 213246601 /nfs/dbraw/zinc/24/66/01/213246601.db2.gz OIDFDXBGLKQYHB-UHFFFAOYSA-N 0 0 344.773 3.741 10 0 EHAERN CNc1nc2c(s1)c(C)c(O)c(C)c2[C@@H](OC)c1cccnc1 ZINC000039127766 213231194 /nfs/dbraw/zinc/23/11/94/213231194.db2.gz FBFAWSVHQNCKGD-HNNXBMFYSA-N 0 0 329.425 3.791 10 0 EHAERN Cc1ccc([C@@H](C)N(C)C(=O)c2cc(Br)c[nH]2)s1 ZINC000037845924 213170641 /nfs/dbraw/zinc/17/06/41/213170641.db2.gz TWLFQPGMACSNHK-SECBINFHSA-N 0 0 327.247 3.980 10 0 EHAERN COc1nccc(N(C)C)c1NCc1ccc(Br)s1 ZINC000036941721 213125589 /nfs/dbraw/zinc/12/55/89/213125589.db2.gz ZPXPJVRRJCWQSB-UHFFFAOYSA-N 0 0 342.262 3.592 10 0 EHAERN O=c1cc(-c2ccccc2)nc(-c2ccc(Br)s2)[nH]1 ZINC000036755510 213116908 /nfs/dbraw/zinc/11/69/08/213116908.db2.gz XIYPIOSXJUPBQD-UHFFFAOYSA-N 0 0 333.210 3.928 10 0 EHAERN CC(C)[C@]1(C)CC(=O)N(c2ccc(F)cc2Br)C1=O ZINC000035282637 213016657 /nfs/dbraw/zinc/01/66/57/213016657.db2.gz CMWCVTLYTHHMLV-AWEZNQCLSA-N 0 0 328.181 3.514 10 0 EHAERN Nc1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1Cl ZINC000034973223 213004210 /nfs/dbraw/zinc/00/42/10/213004210.db2.gz YHCXYRAFYIQRPP-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C(=O)C1 ZINC000071790575 215826534 /nfs/dbraw/zinc/82/65/34/215826534.db2.gz JAIKJLZAQPHIEO-CYBMUJFWSA-N 0 0 343.345 3.999 10 0 EHAERN COc1ccc(C2=NN(c3ccccc3)N(c3ccccc3)N2)cc1 ZINC000071790983 215827006 /nfs/dbraw/zinc/82/70/06/215827006.db2.gz WNSHMOOSHCLWKZ-UHFFFAOYSA-N 0 0 330.391 3.803 10 0 EHAERN CCOC(=O)c1sc(Br)nc1-c1ccc(OC)cc1 ZINC000032500071 212805799 /nfs/dbraw/zinc/80/57/99/212805799.db2.gz HZCZRPSTZFQXPU-UHFFFAOYSA-N 0 0 342.214 3.758 10 0 EHAERN Brc1nc(Br)c(N2CCCCC2)s1 ZINC000072193217 216068115 /nfs/dbraw/zinc/06/81/15/216068115.db2.gz JMXWCPIQYRLNSY-UHFFFAOYSA-N 0 0 326.057 3.658 10 0 EHAERN N[C@@H](c1ccc(I)cc1Cl)C(F)(F)F ZINC000072190930 216068348 /nfs/dbraw/zinc/06/83/48/216068348.db2.gz SBGQUMCNFATGTC-ZETCQYMHSA-N 0 0 335.494 3.507 10 0 EHAERN CCOC(=O)COc1cc(C)nc2c(Br)cc(C)cc12 ZINC000072237374 216076377 /nfs/dbraw/zinc/07/63/77/216076377.db2.gz GUDUCHFRVAGWJD-UHFFFAOYSA-N 0 0 338.201 3.556 10 0 EHAERN Nc1ccccc1C(=O)Nc1c(F)cc(F)cc1Br ZINC000037387810 213142871 /nfs/dbraw/zinc/14/28/71/213142871.db2.gz UMSNEMAZZNDQRH-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN CCCCCN1CN(c2ccc(F)cc2)c2nc(C)c(C)c(=O)n2C1 ZINC000072442126 216235369 /nfs/dbraw/zinc/23/53/69/216235369.db2.gz JXBWQWNGCKFLQK-UHFFFAOYSA-N 0 0 344.434 3.558 10 0 EHAERN COc1ccc(C)cc1NC(=O)c1ccc(-c2ccc(C)cc2)[nH]c1=O ZINC000072451068 216239944 /nfs/dbraw/zinc/23/99/44/216239944.db2.gz RJOYMZXOECZQQD-UHFFFAOYSA-N 0 0 348.402 3.920 10 0 EHAERN CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(C)o2)c(C)n1 ZINC000023305989 212367483 /nfs/dbraw/zinc/36/74/83/212367483.db2.gz QNSLKNCOIHJKSY-CYBMUJFWSA-N 0 0 333.457 3.527 10 0 EHAERN CCO[P@](=O)(Oc1ccc2c(C)c(Cl)c(=O)oc2c1)N(C)C ZINC000021993301 212268800 /nfs/dbraw/zinc/26/88/00/212268800.db2.gz LFDODTSSBGRUEA-QFIPXVFZSA-N 0 0 345.719 3.840 10 0 EHAERN CC1(C)CC/C(=C\c2ccc(Cl)cc2)C[C@@]1(O)Cn1cncn1 ZINC000020568272 212147438 /nfs/dbraw/zinc/14/74/38/212147438.db2.gz ZYOXYTLRRYJNTO-IKFRKZOMSA-N 0 0 331.847 3.956 10 0 EHAERN N[C@@H](c1cc(Br)ccc1Br)C(F)(F)F ZINC000019969189 212091752 /nfs/dbraw/zinc/09/17/52/212091752.db2.gz NPSFJOLYYBHIEN-ZETCQYMHSA-N 0 0 332.945 3.774 10 0 EHAERN COc1ccc(N)cc1OCc1ccc(F)c(Br)c1 ZINC000019517599 212036236 /nfs/dbraw/zinc/03/62/36/212036236.db2.gz ZRXKRFACOHACFK-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN NC(=S)c1ccc(COc2ccc(F)cc2Br)cc1 ZINC000019483634 212031825 /nfs/dbraw/zinc/03/18/25/212031825.db2.gz PZPBSHSWCIRMGF-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000019478128 212030597 /nfs/dbraw/zinc/03/05/97/212030597.db2.gz SHLFSGHTIMWRQQ-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN O=Cc1ccc(I)cc1OCc1ccccc1 ZINC000090669248 217948000 /nfs/dbraw/zinc/94/80/00/217948000.db2.gz WOGCJADZBVKQSV-UHFFFAOYSA-N 0 0 338.144 3.683 10 0 EHAERN CC[C@@H](C(=O)OC)n1c(C)nc2sc(-c3ccccc3)cc2c1=O ZINC000012127176 211299197 /nfs/dbraw/zinc/29/91/97/211299197.db2.gz VZQCUHFWFBMBSL-AWEZNQCLSA-N 0 0 342.420 3.558 10 0 EHAERN O=C(/C=C/c1ccco1)N1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000012112047 211291027 /nfs/dbraw/zinc/29/10/27/211291027.db2.gz MMIHOLXSBQPWLF-GLCJEOIMSA-N 0 0 339.435 3.527 10 0 EHAERN COCCC(=O)NCc1ccc2[nH]c(-c3ccc(F)cc3)c(C)c2c1 ZINC000012054222 211285374 /nfs/dbraw/zinc/28/53/74/211285374.db2.gz NDGSGNWDHVMQDZ-UHFFFAOYSA-N 0 0 340.398 3.935 10 0 EHAERN CC(C)n1cc(CN2CCc3onc(-c4ccccc4F)c3C2)cn1 ZINC000011933749 211270130 /nfs/dbraw/zinc/27/01/30/211270130.db2.gz JOSKLQRFGSHYJW-UHFFFAOYSA-N 0 0 340.402 3.816 10 0 EHAERN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CC2)CC1 ZINC000009265676 211060065 /nfs/dbraw/zinc/06/00/65/211060065.db2.gz YHJMHQPIFBWAAZ-UHFFFAOYSA-N 0 0 326.396 3.653 10 0 EHAERN COc1ccc2c(c1OC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C2 ZINC000095067806 218271652 /nfs/dbraw/zinc/27/16/52/218271652.db2.gz UZQUJJMQTUDKDI-HOCLYGCPSA-N 0 0 347.455 3.818 10 0 EHAERN CC(=O)c1nc2ccccc2n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095082711 218275000 /nfs/dbraw/zinc/27/50/00/218275000.db2.gz UXQDFUDWXYLKOY-AWEZNQCLSA-N 0 0 343.427 3.638 10 0 EHAERN CC(=O)c1nc2ccccc2n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095082712 218275183 /nfs/dbraw/zinc/27/51/83/218275183.db2.gz UXQDFUDWXYLKOY-CQSZACIVSA-N 0 0 343.427 3.638 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1ncccc1O ZINC000095086240 218277336 /nfs/dbraw/zinc/27/73/36/218277336.db2.gz FDRRUXGGOPWJSI-CQSZACIVSA-N 0 0 336.432 3.736 10 0 EHAERN FC(F)(F)N(c1ccccc1I)C1CC1 ZINC000095076903 218273287 /nfs/dbraw/zinc/27/32/87/218273287.db2.gz ISEHNFUTEAADPX-UHFFFAOYSA-N 0 0 327.087 3.780 10 0 EHAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1nc2ccccc2s1 ZINC000095087694 218278081 /nfs/dbraw/zinc/27/80/81/218278081.db2.gz NYBOEXYYEGHQMO-LBPRGKRZSA-N 0 0 333.457 3.790 10 0 EHAERN C[C@H](c1ccccc1)N1CC[C@]2(CCCN2C(=O)c2ccccc2)C1=O ZINC000095936734 218450866 /nfs/dbraw/zinc/45/08/66/218450866.db2.gz HEWJVDXQEZOJPY-VGOFRKELSA-N 0 0 348.446 3.655 10 0 EHAERN CC[C@@H](C)NC(=O)COc1cc(C)c(Br)c(C)c1C ZINC000006933903 210746164 /nfs/dbraw/zinc/74/61/64/210746164.db2.gz MVNZFDICPUNPSU-SNVBAGLBSA-N 0 0 328.250 3.668 10 0 EHAERN CC[C@H](C)[C@H]1COC(c2cccn2Cc2cccc(OC)c2OC)=N1 ZINC000004970708 210343711 /nfs/dbraw/zinc/34/37/11/210343711.db2.gz LDAQNSQAVJJAGW-GOEBONIOSA-N 0 0 342.439 3.745 10 0 EHAERN CCc1noc(CC)c1Cc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299750883 258007173 /nfs/dbraw/zinc/00/71/73/258007173.db2.gz OPYXVJXGSAQQFP-ZBEGNZNMSA-N 0 0 333.432 3.692 10 0 EHAERN Cc1ccc(CS(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000041371839 524639186 /nfs/dbraw/zinc/63/91/86/524639186.db2.gz NVMJBPMXSGHXNK-UHFFFAOYSA-N 0 0 330.453 3.537 10 0 EHAERN Cc1csc([C@H](C)NC(=O)N[C@@H]2CCCc3c(O)cccc32)n1 ZINC000188483770 526433803 /nfs/dbraw/zinc/43/38/03/526433803.db2.gz MZGWNYYPSBUGFA-SMDDNHRTSA-N 0 0 331.441 3.595 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(OC(C)C)n2)cs1 ZINC000187093194 527050846 /nfs/dbraw/zinc/05/08/46/527050846.db2.gz UVMBIZCJXALSEZ-HNNXBMFYSA-N 0 0 331.441 3.611 10 0 EHAERN CC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O ZINC000004721605 560199831 /nfs/dbraw/zinc/19/98/31/560199831.db2.gz MIAWQCWOHVVLMH-YQPXSLGVSA-N 0 0 330.468 3.663 10 0 in-vitro EHAERN CC(C)CNC(=O)Nc1c(N)n(-c2ccccc2)nc1C(C)(C)C ZINC000034784906 563919626 /nfs/dbraw/zinc/91/96/26/563919626.db2.gz UWZXXKPUJYVDBJ-UHFFFAOYSA-N 0 0 329.448 3.530 10 0 EHAERN CC(C)c1nc(CCc2cccnc2)n(-c2cc(F)ccc2F)n1 ZINC000065433045 563960844 /nfs/dbraw/zinc/96/08/44/563960844.db2.gz ZZGXGAFPWDWBPV-UHFFFAOYSA-N 0 0 328.366 3.849 10 0 EHAERN Cc1ccc2c(cc3c(=O)n(Cc4cc(C)ccc4C)nc(C)n32)c1 ZINC000006803356 564033570 /nfs/dbraw/zinc/03/35/70/564033570.db2.gz RUSXUBYUFCHAJK-UHFFFAOYSA-N 0 0 331.419 3.931 10 0 EHAERN Cn1c2ccccc2nc1C(=O)CNc1ccc(Br)cc1 ZINC000000390622 564082591 /nfs/dbraw/zinc/08/25/91/564082591.db2.gz KZVIAUZWVKXZOR-UHFFFAOYSA-N 0 0 344.212 3.631 10 0 EHAERN COc1ccc(CC(=O)Nc2cc(-c3ccccn3)no2)c(Cl)c1 ZINC000065152863 564102029 /nfs/dbraw/zinc/10/20/29/564102029.db2.gz FUXZDWRFMFSCMQ-UHFFFAOYSA-N 0 0 343.770 3.580 10 0 EHAERN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000004546798 564111730 /nfs/dbraw/zinc/11/17/30/564111730.db2.gz BFZHCUBIASXHPK-WQNFENHCSA-N 0 0 330.468 3.694 10 0 EHAERN COc1ccc(-c2c(I)n[nH]c2C(C)C)cc1 ZINC000675076815 564113404 /nfs/dbraw/zinc/11/34/04/564113404.db2.gz RFJYSAVLXZBZER-UHFFFAOYSA-N 0 0 342.180 3.813 10 0 EHAERN CCOC(=O)c1c(C(C)C)nnn1-c1c(Cl)cccc1Cl ZINC000113967016 564128797 /nfs/dbraw/zinc/12/87/97/564128797.db2.gz DQDPZIRMUJBHTI-UHFFFAOYSA-N 0 0 328.199 3.874 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cc(C2CCCC2)nn1C ZINC000182325326 1032089337 /nfs/dbraw/zinc/08/93/37/1032089337.db2.gz SEBWRGOEJNNYKB-KZULUSFZSA-N 0 0 325.412 3.581 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H](C)CC3CCCCC3)C2)n1 ZINC000116775497 1014275518 /nfs/dbraw/zinc/27/55/18/1014275518.db2.gz ABCNIGMQVVWWDC-HNAYVOBHSA-N 0 0 346.519 3.740 10 0 EHAERN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1cccc(Br)c1Cl ZINC000706446944 977323122 /nfs/dbraw/zinc/32/31/22/977323122.db2.gz HTMGCKHEDPIXBK-GFCCVEGCSA-N 0 0 346.652 3.932 10 0 EHAERN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc(C(=O)[O-])cs1 ZINC000711407781 977544212 /nfs/dbraw/zinc/54/42/12/977544212.db2.gz RCVUEPDPCPRFCV-OAHLLOKOSA-N 0 0 344.480 3.543 10 0 EHAERN O=C([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c(Br)c1 ZINC000712378662 977581505 /nfs/dbraw/zinc/58/15/05/977581505.db2.gz QSSFUKJUKLUTRQ-VZJVUDMVSA-N 0 0 338.245 3.816 10 0 EHAERN O=C([O-])c1cccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716654061 977851049 /nfs/dbraw/zinc/85/10/49/977851049.db2.gz DWHVIDDGXBEQNX-DBVUQKKJSA-N 0 0 336.435 3.850 10 0 EHAERN CC1(C)[C@H]([NH2+][C@H](C(=O)[O-])c2ccccc2)C[C@H]1OCc1ccccc1 ZINC000717982806 977926595 /nfs/dbraw/zinc/92/65/95/977926595.db2.gz XAKBQOPWKYTNTL-QRVBRYPASA-N 0 0 339.435 3.786 10 0 EHAERN CC(C)[N@H+](CCC(=O)[O-])Cc1cccc(Cl)c1Br ZINC000719413866 978002253 /nfs/dbraw/zinc/00/22/53/978002253.db2.gz PUVLMAVBZHLFOL-UHFFFAOYSA-N 0 0 334.641 3.788 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc3ccccc3cc1O)C2 ZINC000112725532 1016038855 /nfs/dbraw/zinc/03/88/55/1016038855.db2.gz CSUNFADBBZARKV-UHFFFAOYSA-N 0 0 349.434 3.601 10 0 EHAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000155293902 1016426581 /nfs/dbraw/zinc/42/65/81/1016426581.db2.gz RDMLJQWYXOSFOM-CQSZACIVSA-N 0 0 341.455 3.874 10 0 EHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177988440 1016511476 /nfs/dbraw/zinc/51/14/76/1016511476.db2.gz AZZOBGAYJNFDKX-AUUYWEPGSA-N 0 0 344.842 3.655 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000246337357 1016546332 /nfs/dbraw/zinc/54/63/32/1016546332.db2.gz HQSHLKWVKXUDAG-YVSFHVDLSA-N 0 0 332.444 3.782 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178579683 1016727354 /nfs/dbraw/zinc/72/73/54/1016727354.db2.gz LIUFLASUSNIMJH-OMWUSAIZSA-N 0 0 348.874 3.664 10 0 EHAERN Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)on1 ZINC000407997620 1016809884 /nfs/dbraw/zinc/80/98/84/1016809884.db2.gz IONXHTZODGINBD-AGIUHOORSA-N 0 0 345.365 3.951 10 0 EHAERN CC[C@H](CC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185505974 1032436672 /nfs/dbraw/zinc/43/66/72/1032436672.db2.gz NATWJZSGXFGJHZ-BEFAXECRSA-N 0 0 348.462 3.808 10 0 EHAERN CCC1(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCCC1 ZINC000185529741 1032438615 /nfs/dbraw/zinc/43/86/15/1032438615.db2.gz GTAFCQDWMPEWKD-GOSISDBHSA-N 0 0 346.446 3.706 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)CC2=CCCCC2)c2ccc(F)cc2C1 ZINC000185528477 1032438686 /nfs/dbraw/zinc/43/86/86/1032438686.db2.gz IVGDUWFVPDIALU-IBGZPJMESA-N 0 0 344.430 3.626 10 0 EHAERN CCC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185530933 1032439029 /nfs/dbraw/zinc/43/90/29/1032439029.db2.gz COHCTNSYWBNZLP-MJGOQNOKSA-N 0 0 348.462 3.808 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185521314 1032439143 /nfs/dbraw/zinc/43/91/43/1032439143.db2.gz XFILDWPEDXOIKS-IFXJQAMLSA-N 0 0 348.462 3.808 10 0 EHAERN C[C@H](OC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(F)c(F)c1 ZINC000118950461 1032476169 /nfs/dbraw/zinc/47/61/69/1032476169.db2.gz SVEWVELZTPTCEG-GXFFZTMASA-N 0 0 331.318 3.695 10 0 EHAERN CCCCOc1ccc(NC(=O)[C@H]2CCCn3ccnc32)c(C)c1 ZINC000081582683 1032580312 /nfs/dbraw/zinc/58/03/12/1032580312.db2.gz ZXAOAAMHHQLXHR-INIZCTEOSA-N 0 0 327.428 3.887 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)c1 ZINC000081640839 1032616048 /nfs/dbraw/zinc/61/60/48/1032616048.db2.gz UZEUEQJXRMNDAO-ZDUSSCGKSA-N 0 0 347.361 3.612 10 0 EHAERN Fc1cccc2oc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc21 ZINC000408030736 1017112831 /nfs/dbraw/zinc/11/28/31/1017112831.db2.gz HTFMCSBSDIBYAT-CQSZACIVSA-N 0 0 326.375 3.910 10 0 EHAERN Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000332865060 1017272938 /nfs/dbraw/zinc/27/29/38/1017272938.db2.gz KACOTRQKSXEXBH-BPQIPLTHSA-N 0 0 344.503 3.668 10 0 EHAERN C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000079264932 1018139104 /nfs/dbraw/zinc/13/91/04/1018139104.db2.gz CNMCQPZGODFGAZ-YCPHGPKFSA-N 0 0 332.444 3.739 10 0 EHAERN Cc1ncc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C2CC2)n1 ZINC000333374537 1019428099 /nfs/dbraw/zinc/42/80/99/1019428099.db2.gz ZSBGXMOPGAVQRO-RYUDHWBXSA-N 0 0 342.365 3.905 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCCC[C@H]2CO)cs1 ZINC000333482351 1019726339 /nfs/dbraw/zinc/72/63/39/1019726339.db2.gz SNBPOVVTNCTNIP-ZFWWWQNUSA-N 0 0 345.468 3.791 10 0 EHAERN O=S(=O)(CC1CCC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000093019831 1032870220 /nfs/dbraw/zinc/87/02/20/1032870220.db2.gz XMCWQWITEPMHKP-MRXNPFEDSA-N 0 0 335.469 3.543 10 0 EHAERN O=C(N=c1ccccn1Cc1ccccc1)c1c[nH]c2cc(F)ccc12 ZINC000588392228 1020178160 /nfs/dbraw/zinc/17/81/60/1020178160.db2.gz OQVIKXNUXOQROR-UHFFFAOYSA-N 0 0 345.377 3.898 10 0 EHAERN CSc1cc(C)ccc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000152341520 1021084046 /nfs/dbraw/zinc/08/40/46/1021084046.db2.gz QWAJSQATHKCVOS-VQIMIIECSA-N 0 0 348.512 3.554 10 0 EHAERN O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CCCn2ccnc21 ZINC000080609986 1021171295 /nfs/dbraw/zinc/17/12/95/1021171295.db2.gz PUMQFROQZNKUIK-GOSISDBHSA-N 0 0 347.418 3.869 10 0 EHAERN CCCCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)C(C)C ZINC000164418217 1021212063 /nfs/dbraw/zinc/21/20/63/1021212063.db2.gz OTRLZDNIPANEDB-NZSAHSFTSA-N 0 0 348.531 3.841 10 0 EHAERN Cc1ccc(NC(=O)/C=C\C(C)(C)C)cc1-c1nnnn1C1CC1 ZINC000588427969 1021772167 /nfs/dbraw/zinc/77/21/67/1021772167.db2.gz BNDCEEQJUTWGKD-KTKRTIGZSA-N 0 0 325.416 3.524 10 0 EHAERN O=C(Cc1n[nH]c2ccccc12)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000366671087 1021885616 /nfs/dbraw/zinc/88/56/16/1021885616.db2.gz QBAFOLCHRSNVDG-KBPBESRZSA-N 0 0 337.398 3.697 10 0 EHAERN O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000366671096 1021887992 /nfs/dbraw/zinc/88/79/92/1021887992.db2.gz QBAFOLCHRSNVDG-UONOGXRCSA-N 0 0 337.398 3.697 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000187666661 1022219821 /nfs/dbraw/zinc/21/98/21/1022219821.db2.gz VHJPUOMULLBTEJ-KRWDZBQOSA-N 0 0 340.810 3.812 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1Cc2ccccc2CO1 ZINC000334100711 1022282771 /nfs/dbraw/zinc/28/27/71/1022282771.db2.gz WCOPSDNQINPXTB-CVEARBPZSA-N 0 0 344.436 3.625 10 0 EHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127754976 1022393065 /nfs/dbraw/zinc/39/30/65/1022393065.db2.gz DCNPVQVHLLIJGH-WBMJQRKESA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1cccc(Cl)c1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127816429 1022400615 /nfs/dbraw/zinc/40/06/15/1022400615.db2.gz ACRJEZHTDLIFSB-MEDUHNTESA-N 0 0 328.239 3.761 10 0 EHAERN CC[C@@H]1COCCN1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123555207 1022405086 /nfs/dbraw/zinc/40/50/86/1022405086.db2.gz HPBLJYDKMZCOIZ-NVXWUHKLSA-N 0 0 344.455 3.643 10 0 EHAERN Cc1cccc(Oc2ccccc2CNC(=O)/C=C\c2ccncn2)c1 ZINC000588438169 1022433571 /nfs/dbraw/zinc/43/35/71/1022433571.db2.gz DQETWADLIZJZBN-KTKRTIGZSA-N 0 0 345.402 3.907 10 0 EHAERN O=C(/C=C\c1ccncn1)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000588439162 1022446940 /nfs/dbraw/zinc/44/69/40/1022446940.db2.gz QNXMNHHSAJIGEG-VURMDHGXSA-N 0 0 336.420 3.617 10 0 EHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@H]2CCCCNC2=O)s1 ZINC000328875620 1022523551 /nfs/dbraw/zinc/52/35/51/1022523551.db2.gz SERCEBGTJOWPAC-CHWSQXEVSA-N 0 0 337.489 3.680 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(-c4ncon4)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333877459 1022721774 /nfs/dbraw/zinc/72/17/74/1022721774.db2.gz VSNQBQZUERNFQK-DZASIIFFSA-N 0 0 338.411 3.637 10 0 EHAERN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000190323157 1023274567 /nfs/dbraw/zinc/27/45/67/1023274567.db2.gz JNWUWCFDQCKUIL-BXUZGUMPSA-N 0 0 346.452 3.672 10 0 EHAERN C[C@@H](NC(=O)N(C)[C@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000180324176 1023279836 /nfs/dbraw/zinc/27/98/36/1023279836.db2.gz RRAUKAKDUFGXNB-NXEZZACHSA-N 0 0 326.853 3.599 10 0 EHAERN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000081179443 1023296447 /nfs/dbraw/zinc/29/64/47/1023296447.db2.gz VCVFHGUNKVYUQD-WMLDXEAASA-N 0 0 343.471 3.565 10 0 EHAERN Cc1ccc(CNC(=O)N[C@H]2CCCc3c(O)cccc32)cc1F ZINC000190650998 1023300330 /nfs/dbraw/zinc/30/03/30/1023300330.db2.gz SAGZNUXSAAYGHO-KRWDZBQOSA-N 0 0 328.387 3.717 10 0 EHAERN Cc1cc(Br)c(NC(=O)N[C@H]2CCO[C@H]2C)cc1Cl ZINC000162501902 1023463795 /nfs/dbraw/zinc/46/37/95/1023463795.db2.gz UUWLZWMHBCVJDO-KWQFWETISA-N 0 0 347.640 3.710 10 0 EHAERN CC[C@@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)c1cccs1 ZINC000190602187 1023954405 /nfs/dbraw/zinc/95/44/05/1023954405.db2.gz PYCINCPUYSBDBR-QWHCGFSZSA-N 0 0 347.488 3.701 10 0 EHAERN O=C(NCc1ccc(Cl)s1)N[C@H]1CCCc2c(O)cccc21 ZINC000191120506 1024033202 /nfs/dbraw/zinc/03/32/02/1024033202.db2.gz HOKOGGVSGRIXEJ-ZDUSSCGKSA-N 0 0 336.844 3.984 10 0 EHAERN Cc1csc2c1ncnc2N1CCCC[C@H]1c1nnc(C(C)C)[nH]1 ZINC000329699139 1024088370 /nfs/dbraw/zinc/08/83/70/1024088370.db2.gz ZARSUZKDHZBWBY-LBPRGKRZSA-N 0 0 342.472 3.973 10 0 EHAERN C[C@@H](C(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1)c1cccnc1 ZINC000329896639 1024239615 /nfs/dbraw/zinc/23/96/15/1024239615.db2.gz KYVNLXBPBZVTBL-KUHUBIRLSA-N 0 0 349.434 3.809 10 0 EHAERN C[C@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)Sc1ccccc1 ZINC000247959163 1024240991 /nfs/dbraw/zinc/24/09/91/1024240991.db2.gz FZWNHUHZOMKIJT-GJYPPUQNSA-N 0 0 348.512 3.504 10 0 EHAERN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000329901473 1024241267 /nfs/dbraw/zinc/24/12/67/1024241267.db2.gz GYSWXHDCAWPMJK-CRIQSBETSA-N 0 0 332.831 3.606 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128811465 1024315003 /nfs/dbraw/zinc/31/50/03/1024315003.db2.gz KCBIJZWYJVKUMY-NVXWUHKLSA-N 0 0 346.519 3.599 10 0 EHAERN CC(C)OCCOCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1 ZINC000121587006 1025517746 /nfs/dbraw/zinc/51/77/46/1025517746.db2.gz AUNBASAKWDVPNZ-ZWKOTPCHSA-N 0 0 343.423 3.963 10 0 EHAERN CCc1csc([C@@H]2CCCN(C(=O)N[C@H](C)c3ccncc3)C2)n1 ZINC000113579707 1025648075 /nfs/dbraw/zinc/64/80/75/1025648075.db2.gz OBJKSANWYXCVCR-UKRRQHHQSA-N 0 0 344.484 3.751 10 0 EHAERN CC(C)C(=O)N1CCC(c2nc(CO[C@H]3CCCC[C@@H]3C)no2)CC1 ZINC000329549155 1025982454 /nfs/dbraw/zinc/98/24/54/1025982454.db2.gz BKRGXOUAGXXCEW-HOCLYGCPSA-N 0 0 349.475 3.527 10 0 EHAERN Cc1sc2[nH]c(Cc3noc([C@@H]4CCC[C@@H]4C)n3)nc(=O)c2c1C ZINC000329571398 1026023479 /nfs/dbraw/zinc/02/34/79/1026023479.db2.gz MQIVTWJHDCXJTC-GZMMTYOYSA-N 0 0 344.440 3.891 10 0 EHAERN C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc4c(c3)CCC=C4)n1)OC2 ZINC000329615186 1026077345 /nfs/dbraw/zinc/07/73/45/1026077345.db2.gz SFBAAUMPDVXWSJ-FXAWDEMLSA-N 0 0 337.423 3.622 10 0 EHAERN Cc1nc(Cl)ccc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000122343380 1026414709 /nfs/dbraw/zinc/41/47/09/1026414709.db2.gz TVSVAMOPNYKSCK-UHFFFAOYSA-N 0 0 347.821 3.899 10 0 EHAERN CCc1onc(C)c1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122368956 1026423947 /nfs/dbraw/zinc/42/39/47/1026423947.db2.gz VEEOLJFBGXPJLY-WFASDCNBSA-N 0 0 328.412 3.572 10 0 EHAERN CCC[C@@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(C)C ZINC000122419120 1026462081 /nfs/dbraw/zinc/46/20/81/1026462081.db2.gz XYSABXVPTXQZCB-GOSISDBHSA-N 0 0 336.520 3.700 10 0 EHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCC1(CCO)CC1 ZINC000588531673 1026707362 /nfs/dbraw/zinc/70/73/62/1026707362.db2.gz FDJGBPJKVJJRGU-LUAWRHEFSA-N 0 0 328.239 3.676 10 0 EHAERN CCc1nn(C)c(Cl)c1C(=O)N1CC=C(c2cccs2)CC1 ZINC000153150946 1027125816 /nfs/dbraw/zinc/12/58/16/1027125816.db2.gz DXRJSCFHZNFMBG-UHFFFAOYSA-N 0 0 335.860 3.627 10 0 EHAERN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000125859939 1027133657 /nfs/dbraw/zinc/13/36/57/1027133657.db2.gz UVEAGOGSNYFJTN-UAGQMJEPSA-N 0 0 348.450 3.993 10 0 EHAERN Cc1nnc([C@H](NC(=O)CCc2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000127717303 1027345647 /nfs/dbraw/zinc/34/56/47/1027345647.db2.gz HCPALQWJLXXKIV-HXUWFJFHSA-N 0 0 348.450 3.568 10 0 EHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(Br)n1 ZINC000128258991 1027413159 /nfs/dbraw/zinc/41/31/59/1027413159.db2.gz NTKZWOOVHWYIRU-HZMBPMFUSA-N 0 0 347.212 3.656 10 0 EHAERN CC(=O)Nc1ccc(CCNc2ncnc3cc(Cl)ccc32)cc1 ZINC000103462554 1027431889 /nfs/dbraw/zinc/43/18/89/1027431889.db2.gz FMSXXJIPXGFJIK-UHFFFAOYSA-N 0 0 340.814 3.896 10 0 EHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000128441710 1027435814 /nfs/dbraw/zinc/43/58/14/1027435814.db2.gz KXJOWMOHJVCWQX-ZBFHGGJFSA-N 0 0 330.815 3.529 10 0 EHAERN CCC1(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)CCCC1 ZINC000128832589 1027489003 /nfs/dbraw/zinc/48/90/03/1027489003.db2.gz YPAFEKRSQKPZTB-OAHLLOKOSA-N 0 0 332.469 3.576 10 0 EHAERN CCNc1ncc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)s1 ZINC000129123053 1027523016 /nfs/dbraw/zinc/52/30/16/1027523016.db2.gz GBWVHUFXEHYSOB-OCCSQVGLSA-N 0 0 345.468 3.602 10 0 EHAERN O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CC=C(c2cccs2)CC1 ZINC000129685488 1027589926 /nfs/dbraw/zinc/58/99/26/1027589926.db2.gz PMMYZFNPKBILGP-HOTGVXAUSA-N 0 0 332.469 3.504 10 0 EHAERN CC1(C)CN(C(=O)Nc2ccc3c(n2)CCCC3=O)[C@H]2CCC[C@@H]21 ZINC000333628921 1027701072 /nfs/dbraw/zinc/70/10/72/1027701072.db2.gz HJNJLRRAPWQFQX-ZFWWWQNUSA-N 0 0 327.428 3.643 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(C)o1 ZINC000112746625 1027953574 /nfs/dbraw/zinc/95/35/74/1027953574.db2.gz BQWYTRMIKCKRQS-ZDUSSCGKSA-N 0 0 344.459 3.582 10 0 EHAERN COc1ccc(CCCC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000133556654 1028044301 /nfs/dbraw/zinc/04/43/01/1028044301.db2.gz XMJBPEASQFPSRO-IBGZPJMESA-N 0 0 343.423 3.519 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(-n4cccc4)cc3)CCO2)o1 ZINC000133610363 1028049585 /nfs/dbraw/zinc/04/95/85/1028049585.db2.gz KLEXZXXXGRWBGU-IBGZPJMESA-N 0 0 336.391 3.592 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2nc(C)cs2)cc1 ZINC000053452540 1028181482 /nfs/dbraw/zinc/18/14/82/1028181482.db2.gz OXQAFOUEMLMJQB-HNNXBMFYSA-N 0 0 348.493 3.916 10 0 EHAERN O=C(Nc1cc(Cl)ccc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000136956590 1028283092 /nfs/dbraw/zinc/28/30/92/1028283092.db2.gz FJEMEEHYXLWTFJ-CYBMUJFWSA-N 0 0 335.766 3.559 10 0 EHAERN CSCc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000137345734 1028309982 /nfs/dbraw/zinc/30/99/82/1028309982.db2.gz OVXNYWTXFORVPA-KRWDZBQOSA-N 0 0 343.452 3.630 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)c(C)n1C1CC1 ZINC000067047259 1028352341 /nfs/dbraw/zinc/35/23/41/1028352341.db2.gz PIYFPXHXGHJVMP-CQSZACIVSA-N 0 0 329.469 3.916 10 0 EHAERN O=C(OC1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000070737913 1028461326 /nfs/dbraw/zinc/46/13/26/1028461326.db2.gz RMLSDYRGVXUCHD-UHFFFAOYSA-N 0 0 333.403 3.554 10 0 EHAERN O=C(c1n[nH]nc1-c1ccccc1)N1CC=C(c2ccccc2F)CC1 ZINC000194230375 1028500646 /nfs/dbraw/zinc/50/06/46/1028500646.db2.gz HPBMMIXBCAXIEI-UHFFFAOYSA-N 0 0 348.381 3.540 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000246448546 1028528662 /nfs/dbraw/zinc/52/86/62/1028528662.db2.gz OAPIHVBHBPSWAG-RRQGHBQHSA-N 0 0 336.451 3.858 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)no1 ZINC000195373747 1028597884 /nfs/dbraw/zinc/59/78/84/1028597884.db2.gz ZIEMSNXNXSSGON-CABCVRRESA-N 0 0 335.835 3.717 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1nccs1 ZINC000074131751 1028600054 /nfs/dbraw/zinc/60/00/54/1028600054.db2.gz KBQCEXWFTYHJSI-GFCCVEGCSA-N 0 0 348.447 3.629 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000074435478 1028612804 /nfs/dbraw/zinc/61/28/04/1028612804.db2.gz HFFIJLYCQKQUOK-QAPCUYQASA-N 0 0 344.503 3.579 10 0 EHAERN Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)s1 ZINC000246510514 1028641580 /nfs/dbraw/zinc/64/15/80/1028641580.db2.gz NTJCQCHGRAJNCA-MFKMUULPSA-N 0 0 340.470 3.515 10 0 EHAERN C[C@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H](c2ccsc2)O1 ZINC000246542601 1028655087 /nfs/dbraw/zinc/65/50/87/1028655087.db2.gz QJILZKFMRJCUTG-BBRMVZONSA-N 0 0 341.436 3.760 10 0 EHAERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[C@@H](O)c2cccc(F)c2)C1 ZINC000246586804 1028665585 /nfs/dbraw/zinc/66/55/85/1028665585.db2.gz ZCUALFSCZHNQCY-ZNZDAUKMSA-N 0 0 345.389 3.998 10 0 EHAERN CC(C)c1ccccc1OCCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246609302 1028668151 /nfs/dbraw/zinc/66/81/51/1028668151.db2.gz HRGDBPXGFGNPSY-ATZDWAIDSA-N 0 0 331.456 3.509 10 0 EHAERN Cc1cccc(-c2cncc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c2)c1 ZINC000246837122 1028698994 /nfs/dbraw/zinc/69/89/94/1028698994.db2.gz SSBLOXWQGLXZCB-IPMKNSEASA-N 0 0 336.435 3.600 10 0 EHAERN CC(=O)Nc1nc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)cs1 ZINC000245410170 1028704330 /nfs/dbraw/zinc/70/43/30/1028704330.db2.gz PSTFHWOLTJKPEI-MEDUHNTESA-N 0 0 333.432 3.824 10 0 EHAERN O=C(Nc1ccc(N2CCCC2)c(F)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246871751 1028706658 /nfs/dbraw/zinc/70/66/58/1028706658.db2.gz DJJUFBNEIFKUFB-YXJHDRRASA-N 0 0 347.434 3.505 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CCO2)o1 ZINC000247223424 1028759293 /nfs/dbraw/zinc/75/92/93/1028759293.db2.gz ZDMOGABZPWZNII-VBQJREDUSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1nc(-c2c[nH]c(C(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)c2)cs1 ZINC000247112348 1028781949 /nfs/dbraw/zinc/78/19/49/1028781949.db2.gz ZKKJNMHMSDIBHY-GPMSIDNRSA-N 0 0 349.459 3.762 10 0 EHAERN O=C(CSc1ccccc1Cl)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247663598 1028806301 /nfs/dbraw/zinc/80/63/01/1028806301.db2.gz XTTSPOQNLXNBRD-YUTCNCBUSA-N 0 0 325.861 3.506 10 0 EHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)OC[C@@H]1CCCCO1 ZINC000247803354 1028817783 /nfs/dbraw/zinc/81/77/83/1028817783.db2.gz XBGHFWOVYREESQ-HNNXBMFYSA-N 0 0 333.359 3.526 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ncn(-c2ccccc2)n1 ZINC000245554418 1028825501 /nfs/dbraw/zinc/82/55/01/1028825501.db2.gz GVYPMUDUWBHUMJ-GPMSIDNRSA-N 0 0 346.434 3.674 10 0 EHAERN CCOc1ccccc1NCC(=O)N1CCC[C@H]1c1cccs1 ZINC000248380619 1028876553 /nfs/dbraw/zinc/87/65/53/1028876553.db2.gz QRXRARUEVAQWMT-HNNXBMFYSA-N 0 0 330.453 3.922 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000248544938 1028889778 /nfs/dbraw/zinc/88/97/78/1028889778.db2.gz DDQLBJKJOOICJH-UKPHBRMFSA-N 0 0 339.443 3.667 10 0 EHAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000248422053 1028897444 /nfs/dbraw/zinc/89/74/44/1028897444.db2.gz BPMRLMQDAJGDFJ-SKDRFNHKSA-N 0 0 341.782 3.758 10 0 EHAERN Cc1cc2cc(NC(=O)N3CCO[C@@H](c4ccc(C)o4)C3)ccc2[nH]1 ZINC000153964779 1028944188 /nfs/dbraw/zinc/94/41/88/1028944188.db2.gz HFDPKYRCQOALRM-GOSISDBHSA-N 0 0 339.395 3.983 10 0 EHAERN O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000248734592 1028945766 /nfs/dbraw/zinc/94/57/66/1028945766.db2.gz BNFIKWMCDXWHLG-UHOSZYNNSA-N 0 0 332.403 3.921 10 0 EHAERN CC(C)(C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(Cl)cc1F ZINC000248993068 1028973693 /nfs/dbraw/zinc/97/36/93/1028973693.db2.gz YUWFPPCENUMYGU-NILFDRSVSA-N 0 0 339.838 3.686 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000249475499 1029003430 /nfs/dbraw/zinc/00/34/30/1029003430.db2.gz VLDHMEMISWMOEC-IIYDPXPESA-N 0 0 342.443 3.849 10 0 EHAERN COc1cc(F)c(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1OC ZINC000248440943 1029028227 /nfs/dbraw/zinc/02/82/27/1029028227.db2.gz UXFPKRAUMYULIZ-SLEUVZQESA-N 0 0 336.407 3.885 10 0 EHAERN C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)c1ccncc1 ZINC000076944399 1029060216 /nfs/dbraw/zinc/06/02/16/1029060216.db2.gz ZSJAREYSYBLZST-GRDNDAEWSA-N 0 0 327.403 3.869 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc4ccccc4c3O)CCO2)o1 ZINC000154297605 1029089116 /nfs/dbraw/zinc/08/91/16/1029089116.db2.gz FWGWUMFXIGSRNH-GOSISDBHSA-N 0 0 337.375 3.661 10 0 EHAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000077542323 1029124283 /nfs/dbraw/zinc/12/42/83/1029124283.db2.gz QAAYBRDMSVZEBN-UHFFFAOYSA-N 0 0 346.434 3.584 10 0 EHAERN C[C@@H]1CC=CC[C@H]1COC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000078387312 1029307749 /nfs/dbraw/zinc/30/77/49/1029307749.db2.gz RBJRLGCILDRZNO-ZBFHGGJFSA-N 0 0 347.480 3.746 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2noc3c2CCCCC3)C12CCCC2 ZINC000154276114 1029431440 /nfs/dbraw/zinc/43/14/40/1029431440.db2.gz JYMYDEAUBAZHHO-IAGOWNOFSA-N 0 0 346.471 3.753 10 0 EHAERN CCOCCOCc1cccc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245935160 1029497036 /nfs/dbraw/zinc/49/70/36/1029497036.db2.gz WSXKDLRYWJJWAY-GUDVDZBRSA-N 0 0 333.472 3.855 10 0 EHAERN CCc1noc(C)c1NC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000155618365 1029590290 /nfs/dbraw/zinc/59/02/90/1029590290.db2.gz JKQKDEPEMZURIM-DOMZBBRYSA-N 0 0 343.427 3.964 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CC(C)(C)c3ccccc32)cn1 ZINC000152658315 1029771144 /nfs/dbraw/zinc/77/11/44/1029771144.db2.gz QIEPGOFGYHNNJX-ROUUACIJSA-N 0 0 338.455 3.689 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000114805415 1029831231 /nfs/dbraw/zinc/83/12/31/1029831231.db2.gz RXVWPHPYHRQKHZ-LBPRGKRZSA-N 0 0 347.440 3.572 10 0 EHAERN CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114825347 1029860607 /nfs/dbraw/zinc/86/06/07/1029860607.db2.gz KIGYCLXJBTUFKL-OAHLLOKOSA-N 0 0 345.468 3.631 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)Nc3ccc(C)cc3)CC2)n1 ZINC000090474342 1030123226 /nfs/dbraw/zinc/12/32/26/1030123226.db2.gz KSKGIRWXHJZYBJ-UHFFFAOYSA-N 0 0 326.444 3.752 10 0 EHAERN C[C@@H](CCO)NC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000156967020 1030168839 /nfs/dbraw/zinc/16/88/39/1030168839.db2.gz RFNKQEWWKHKDOK-NHYWBVRUSA-N 0 0 338.860 3.561 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000246101259 1030364096 /nfs/dbraw/zinc/36/40/96/1030364096.db2.gz LMAVYASFUGZXRI-SNUQEOBHSA-N 0 0 344.434 3.585 10 0 EHAERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000193910047 1030625196 /nfs/dbraw/zinc/62/51/96/1030625196.db2.gz AZBWOHHAFRLSGW-CYBMUJFWSA-N 0 0 342.420 3.918 10 0 EHAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000246676148 1030627846 /nfs/dbraw/zinc/62/78/46/1030627846.db2.gz QDJLCFWNXCDPOR-FJIDUMEYSA-N 0 0 348.512 3.880 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3F)CCO2)o1 ZINC000093864866 1030686743 /nfs/dbraw/zinc/68/67/43/1030686743.db2.gz XDOJZFDBJDWXHE-GOSISDBHSA-N 0 0 341.386 3.691 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cn(-c4ccccc4)nc3C)CCO2)o1 ZINC000093864650 1030687597 /nfs/dbraw/zinc/68/75/97/1030687597.db2.gz WJIMAUWXQGOVJO-HXUWFJFHSA-N 0 0 337.423 3.656 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000171645929 1030771469 /nfs/dbraw/zinc/77/14/69/1030771469.db2.gz ZJBLUFCMAMLXNB-MRXNPFEDSA-N 0 0 342.464 3.821 10 0 EHAERN O=C(CCC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000171646401 1030773153 /nfs/dbraw/zinc/77/31/53/1030773153.db2.gz BNFLYIXPZUWNRD-CQSZACIVSA-N 0 0 346.427 3.651 10 0 EHAERN Cc1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171612713 1030801334 /nfs/dbraw/zinc/80/13/34/1030801334.db2.gz VGXKHSAJNZRMKG-QGZVFWFLSA-N 0 0 338.451 3.639 10 0 EHAERN O=C1Nc2ccccc2[C@@H]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000171797913 1030817982 /nfs/dbraw/zinc/81/79/82/1030817982.db2.gz GHXJTZGTNXWZQN-ZDUSSCGKSA-N 0 0 339.782 3.592 10 0 EHAERN CC(C)[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172194816 1030847154 /nfs/dbraw/zinc/84/71/54/1030847154.db2.gz SNGZEWVNNZYZIT-INIZCTEOSA-N 0 0 348.512 3.637 10 0 EHAERN O=S(=O)(CCCN1CC=C(c2cccs2)CC1)c1ccccc1 ZINC000172194097 1030847957 /nfs/dbraw/zinc/84/79/57/1030847957.db2.gz HNSNWWKUGDAXQK-UHFFFAOYSA-N 0 0 347.505 3.701 10 0 EHAERN COc1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000172221211 1030874037 /nfs/dbraw/zinc/87/40/37/1030874037.db2.gz FPEHEBAOOXXGRL-UHFFFAOYSA-N 0 0 328.437 3.756 10 0 EHAERN C[C@@H](NC(=O)N1CCSC[C@H]1c1ccccc1)c1ccncc1 ZINC000115784654 1030918123 /nfs/dbraw/zinc/91/81/23/1030918123.db2.gz IXIWBDIABZWVMA-PBHICJAKSA-N 0 0 327.453 3.642 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329487645 1030920347 /nfs/dbraw/zinc/92/03/47/1030920347.db2.gz GRURWSQDTBUSKH-OQIJWPOYSA-N 0 0 347.503 3.941 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C3(c4ccccc4C)CC3)CC2)nc1 ZINC000157922348 1030965937 /nfs/dbraw/zinc/96/59/37/1030965937.db2.gz DMXISKVUQPREIA-UHFFFAOYSA-N 0 0 349.478 3.515 10 0 EHAERN Cc1cccc2c(CC(=O)N3CCC[C@@H](c4nccs4)C3)c[nH]c21 ZINC000172841185 1031008214 /nfs/dbraw/zinc/00/82/14/1031008214.db2.gz KLDWMRTUJFALMQ-CQSZACIVSA-N 0 0 339.464 3.882 10 0 EHAERN COc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000172863851 1031015915 /nfs/dbraw/zinc/01/59/15/1031015915.db2.gz QVQNQTMWNJXDAC-ZDUSSCGKSA-N 0 0 344.842 3.702 10 0 EHAERN COc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)ccc1C ZINC000174071586 1031160779 /nfs/dbraw/zinc/16/07/79/1031160779.db2.gz JPHAODLZQFVYFW-UHFFFAOYSA-N 0 0 342.414 3.859 10 0 EHAERN CSCc1cc(C(=O)Nc2cccc(-c3ncon3)c2)ccc1F ZINC000174162943 1031171875 /nfs/dbraw/zinc/17/18/75/1031171875.db2.gz LEWIFHKPWBSWIE-UHFFFAOYSA-N 0 0 343.383 3.991 10 0 EHAERN COCc1csc(NC(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000174392342 1031209128 /nfs/dbraw/zinc/20/91/28/1031209128.db2.gz XPVWKLXRJXOULR-UHFFFAOYSA-N 0 0 329.425 3.611 10 0 EHAERN CC[C@H]1CCC[C@@H](NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000155992706 1031289821 /nfs/dbraw/zinc/28/98/21/1031289821.db2.gz IHSHCZSRFIRQBG-LSDHHAIUSA-N 0 0 332.492 3.580 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1ccncc1 ZINC000175306042 1031293028 /nfs/dbraw/zinc/29/30/28/1031293028.db2.gz OHADTUILZSOQBN-BPUTZDHNSA-N 0 0 345.468 3.502 10 0 EHAERN C[S@](=O)c1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000175773304 1031376206 /nfs/dbraw/zinc/37/62/06/1031376206.db2.gz MFWGSZUVEMGZRG-QHCPKHFHSA-N 0 0 346.477 3.807 10 0 EHAERN O=C(/C=C/SCc1ccco1)N1CCC(Cc2ccccn2)CC1 ZINC000175833771 1031387531 /nfs/dbraw/zinc/38/75/31/1031387531.db2.gz XMQBVMDGFRACHJ-MDWZMJQESA-N 0 0 342.464 3.903 10 0 EHAERN O=C(c1occc1Br)N1CCC[C@@H](c2nccs2)C1 ZINC000175976574 1031401112 /nfs/dbraw/zinc/40/11/12/1031401112.db2.gz NSVJZXZEWQVPQG-SECBINFHSA-N 0 0 341.230 3.518 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000176151419 1031416322 /nfs/dbraw/zinc/41/63/22/1031416322.db2.gz WSIIYSKPWPMNKL-WTWCKAPFSA-N 0 0 348.446 3.998 10 0 EHAERN CC(C)[C@H](C(=O)N1CCC(n2cncn2)CC1)c1cccc(Cl)c1 ZINC000176293465 1031423806 /nfs/dbraw/zinc/42/38/06/1031423806.db2.gz VJUCXEXTZDWKBH-KRWDZBQOSA-N 0 0 346.862 3.535 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)NCCC3=CCCCC3)CC2)n1 ZINC000116970450 1031485334 /nfs/dbraw/zinc/48/53/34/1031485334.db2.gz UBXURBXUAYZRDE-UHFFFAOYSA-N 0 0 342.487 3.549 10 0 EHAERN COc1csc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000176874779 1031498928 /nfs/dbraw/zinc/49/89/28/1031498928.db2.gz HUWHREYCCKGPJH-OCCSQVGLSA-N 0 0 331.437 3.784 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000117057573 1031545786 /nfs/dbraw/zinc/54/57/86/1031545786.db2.gz ICLDUYFNECBGGQ-CRAIPNDOSA-N 0 0 344.503 3.579 10 0 EHAERN O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000177772187 1031565730 /nfs/dbraw/zinc/56/57/30/1031565730.db2.gz AZRRVATWGLEZQJ-SFHVURJKSA-N 0 0 347.418 3.980 10 0 EHAERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ncncc2Cl)o1 ZINC000177663568 1031587624 /nfs/dbraw/zinc/58/76/24/1031587624.db2.gz KXUPUUADEGUKPP-SMDDNHRTSA-N 0 0 333.819 3.899 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)CCO2)o1 ZINC000158785989 1031624900 /nfs/dbraw/zinc/62/49/00/1031624900.db2.gz YLUHPDPMOWPEHR-SFHVURJKSA-N 0 0 342.370 3.956 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)CCc3ccccc3)CCO2)o1 ZINC000179038876 1031727199 /nfs/dbraw/zinc/72/71/99/1031727199.db2.gz JYNZFALUAXECEC-BEFAXECRSA-N 0 0 342.439 3.692 10 0 EHAERN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179341374 1031766788 /nfs/dbraw/zinc/76/67/88/1031766788.db2.gz WYDAUJLXBUWUMB-LJQANCHMSA-N 0 0 346.434 3.768 10 0 EHAERN O=C(C[C@@H](O)c1cccc(F)c1)N1CC=C(c2ccccc2)CC1 ZINC000179605275 1031792540 /nfs/dbraw/zinc/79/25/40/1031792540.db2.gz HFJMZPKHVVSVEL-LJQANCHMSA-N 0 0 325.383 3.565 10 0 EHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@H]1CCSC1 ZINC000179607960 1031793802 /nfs/dbraw/zinc/79/38/02/1031793802.db2.gz NOOAHJIJAZEDIO-HNNXBMFYSA-N 0 0 328.485 3.897 10 0 EHAERN COc1cc(CN2CCO[C@H](c3ccc(C)o3)C2)ccc1SC ZINC000159048845 1031832577 /nfs/dbraw/zinc/83/25/77/1031832577.db2.gz GBKLGXFPDUGZEQ-KRWDZBQOSA-N 0 0 333.453 3.892 10 0 EHAERN COC(=O)Nc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117721829 1031841431 /nfs/dbraw/zinc/84/14/31/1031841431.db2.gz IUNHQNLNAMLBLK-UHFFFAOYSA-N 0 0 342.420 3.856 10 0 EHAERN O=C(c1cnn(Cc2ccccc2)c1)N1CC=C(c2cccs2)CC1 ZINC000117723009 1031842400 /nfs/dbraw/zinc/84/24/00/1031842400.db2.gz CBAPXVFXSSREOM-UHFFFAOYSA-N 0 0 349.459 3.922 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000252353546 1032036876 /nfs/dbraw/zinc/03/68/76/1032036876.db2.gz ZRZVCSYDRUDHLI-UPJWGTAASA-N 0 0 344.381 3.767 10 0 EHAERN CCc1cc(NC(=O)N2CCC[C@@H](Cc3nccn3C)C2)ccc1C ZINC000181982907 1032051357 /nfs/dbraw/zinc/05/13/57/1032051357.db2.gz JPEAVDJMPCRHAJ-INIZCTEOSA-N 0 0 340.471 3.778 10 0 EHAERN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525421 1033740216 /nfs/dbraw/zinc/74/02/16/1033740216.db2.gz HAUGOZOIBVHQIW-LLVKDONJSA-N 0 0 343.770 3.796 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSCC(=O)C(C)(C)C)cc1 ZINC000083120403 1033847746 /nfs/dbraw/zinc/84/77/46/1033847746.db2.gz BWMDPCGVFJWHCK-MRXNPFEDSA-N 0 0 349.496 3.707 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000084231436 1033911416 /nfs/dbraw/zinc/91/14/16/1033911416.db2.gz BTDVXXARMIKTIK-ABAIWWIYSA-N 0 0 327.346 3.742 10 0 EHAERN C[C@H](Sc1ccccn1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000084924976 1033936358 /nfs/dbraw/zinc/93/63/58/1033936358.db2.gz MCCNDMPOKWIFTL-ZDUSSCGKSA-N 0 0 330.478 3.940 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnn(C(C)(C)C)c3)C2)cc1 ZINC000121145651 1034476100 /nfs/dbraw/zinc/47/61/00/1034476100.db2.gz DLNQEOCLJMJZDU-ZBFHGGJFSA-N 0 0 341.455 3.665 10 0 EHAERN CCOc1cc(CNCc2ncc(-c3ccccc3)cn2)ccc1OC ZINC000185869262 1035551059 /nfs/dbraw/zinc/55/10/59/1035551059.db2.gz UNWKTHLRGKIMDE-UHFFFAOYSA-N 0 0 349.434 3.841 10 0 EHAERN C[C@@]1(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)CC1(Cl)Cl ZINC000186179573 1035596912 /nfs/dbraw/zinc/59/69/12/1035596912.db2.gz ZVGUVCIKBDPXQV-OTYXRUKQSA-N 0 0 334.193 3.865 10 0 EHAERN CCO[C@@H]1C[C@H](Nc2ccc(-c3ncco3)cc2)C12CCOCC2 ZINC000186493578 1035641653 /nfs/dbraw/zinc/64/16/53/1035641653.db2.gz CJFUHENQYDRXPQ-DLBZAZTESA-N 0 0 328.412 3.728 10 0 EHAERN CCO[C@@H]1C[C@@H](Nc2ccc(-c3ncco3)cc2)C12CCOCC2 ZINC000186493610 1035641932 /nfs/dbraw/zinc/64/19/32/1035641932.db2.gz CJFUHENQYDRXPQ-IAGOWNOFSA-N 0 0 328.412 3.728 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc([S@](C)=O)cc1 ZINC000186553981 1035658343 /nfs/dbraw/zinc/65/83/43/1035658343.db2.gz VULTWLOPJYDGTM-MCFWBGNESA-N 0 0 343.452 3.574 10 0 EHAERN CN1Cc2cc(NC(=O)N3CCC[C@@H]3C3CCCC3)ccc2NC1=O ZINC000186632005 1035675829 /nfs/dbraw/zinc/67/58/29/1035675829.db2.gz OQLXIECXEBNTHV-QGZVFWFLSA-N 0 0 342.443 3.850 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N[C@@H]1CCCc2occc21 ZINC000186826272 1035711965 /nfs/dbraw/zinc/71/19/65/1035711965.db2.gz SNVCHKQJFFKUKU-LLVKDONJSA-N 0 0 334.397 3.635 10 0 EHAERN Cc1cc(C)c(NC(=O)[C@H]2CCCn3ccnc32)cc1Br ZINC000187599130 1035846429 /nfs/dbraw/zinc/84/64/29/1035846429.db2.gz OKIAJVBGSMCCKF-LBPRGKRZSA-N 0 0 348.244 3.779 10 0 EHAERN CCc1ccccc1CC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000187986249 1035897290 /nfs/dbraw/zinc/89/72/90/1035897290.db2.gz ZEXNMFYZKUXVPQ-UHFFFAOYSA-N 0 0 328.481 3.963 10 0 EHAERN CC(C)c1nnc2n1CCN([C@@H](C)CCc1cccc(F)c1)[C@@H]2C ZINC000188450967 1035938947 /nfs/dbraw/zinc/93/89/47/1035938947.db2.gz HYSCKHFNLSSVAE-LSDHHAIUSA-N 0 0 330.451 3.939 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188530291 1035949538 /nfs/dbraw/zinc/94/95/38/1035949538.db2.gz WJIFVYFNEOEXCA-YOEHRIQHSA-N 0 0 334.419 3.508 10 0 EHAERN CCC(CC)c1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)on1 ZINC000188740936 1035960266 /nfs/dbraw/zinc/96/02/66/1035960266.db2.gz HXEWOZJIXXTEBY-LBPRGKRZSA-N 0 0 345.447 3.510 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3scnc3C)CC2)n1 ZINC000188863930 1035991281 /nfs/dbraw/zinc/99/12/81/1035991281.db2.gz KBHFTKXWRASXMM-ONEGZZNKSA-N 0 0 333.482 3.636 10 0 EHAERN c1c[nH]c([C@H](N[C@@H](c2nccs2)c2ccccc2)c2ccncc2)n1 ZINC000189099634 1036014950 /nfs/dbraw/zinc/01/49/50/1036014950.db2.gz RSRNCPCGWHWIKQ-IAGOWNOFSA-N 0 0 347.447 3.730 10 0 EHAERN CC[C@H]1CN(C(=O)Nc2cn(C)nc2C)CC[C@H]1c1ccccc1 ZINC000189619291 1036099838 /nfs/dbraw/zinc/09/98/38/1036099838.db2.gz VZSIQAIDXWKSNW-DOTOQJQBSA-N 0 0 326.444 3.776 10 0 EHAERN O=C(NCC1(C2CC2)CCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189648133 1036104721 /nfs/dbraw/zinc/10/47/21/1036104721.db2.gz LELBWDJVSXOJSI-UHFFFAOYSA-N 0 0 340.467 3.845 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCCc2c(O)cccc21)c1c(C)noc1C ZINC000189683627 1036113436 /nfs/dbraw/zinc/11/34/36/1036113436.db2.gz XXZBTVPAUXLVKL-JKSUJKDBSA-N 0 0 343.427 3.825 10 0 EHAERN CCN(C(=O)CN1CCC[C@H]1c1csc(C)n1)C1CCCCC1 ZINC000189767367 1036139518 /nfs/dbraw/zinc/13/95/18/1036139518.db2.gz AFNRLDNIMVYKBC-KRWDZBQOSA-N 0 0 335.517 3.770 10 0 EHAERN CCCCOc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c(O)c1 ZINC000190057931 1036190154 /nfs/dbraw/zinc/19/01/54/1036190154.db2.gz GSMDSTMNHRUDNN-SFHVURJKSA-N 0 0 340.423 3.943 10 0 EHAERN O=C(c1ccc(Cl)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190389096 1036231816 /nfs/dbraw/zinc/23/18/16/1036231816.db2.gz LCDRTKICFMDOCA-UHFFFAOYSA-N 0 0 339.823 3.652 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2cccc(-n3cccn3)c2)n1 ZINC000190385332 1036232975 /nfs/dbraw/zinc/23/29/75/1036232975.db2.gz UAOSNPRNMCJBQI-HOTGVXAUSA-N 0 0 338.411 3.841 10 0 EHAERN O=C(NCc1cscn1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190437230 1036240196 /nfs/dbraw/zinc/24/01/96/1036240196.db2.gz KWYUYVKYRMILEC-NSHDSACASA-N 0 0 337.395 3.511 10 0 EHAERN O=C(c1ccc(F)c(Cl)c1)N1CCC(Nc2nccs2)CC1 ZINC000190399785 1036248572 /nfs/dbraw/zinc/24/85/72/1036248572.db2.gz HEWJYOUXVBUCHB-UHFFFAOYSA-N 0 0 339.823 3.652 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc(OC(F)F)cc1 ZINC000190617954 1036266502 /nfs/dbraw/zinc/26/65/02/1036266502.db2.gz LSGWTQXFWGTOEP-INIZCTEOSA-N 0 0 347.361 3.779 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000191000013 1036315819 /nfs/dbraw/zinc/31/58/19/1036315819.db2.gz MQWDODJYDVTFCP-JSGCOSHPSA-N 0 0 331.441 3.644 10 0 EHAERN CC[C@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCO1 ZINC000157743245 1036318764 /nfs/dbraw/zinc/31/87/64/1036318764.db2.gz MIDDEDWDACXDLU-DOTOQJQBSA-N 0 0 344.455 3.643 10 0 EHAERN O=C(NCCC1CCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000191066060 1036331673 /nfs/dbraw/zinc/33/16/73/1036331673.db2.gz BDCQSMQBGJDENB-UHFFFAOYSA-N 0 0 328.456 3.845 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3ccc(Br)o3)CCO2)o1 ZINC000191088882 1036334510 /nfs/dbraw/zinc/33/45/10/1036334510.db2.gz VVCLCFQOULZNHL-CYBMUJFWSA-N 0 0 326.190 3.517 10 0 EHAERN O=c1[nH]c2ccccc2cc1CN1CC2(CCOCC2)c2ccccc21 ZINC000191617066 1036401023 /nfs/dbraw/zinc/40/10/23/1036401023.db2.gz XLDLUWVBWMLXQK-UHFFFAOYSA-N 0 0 346.430 3.597 10 0 EHAERN O=C(Cc1cccc(O)c1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191534816 1036408402 /nfs/dbraw/zinc/40/84/02/1036408402.db2.gz FTBIXHZBWWDKPL-CQSZACIVSA-N 0 0 331.362 3.619 10 0 EHAERN CN1Cc2cc(NCCCc3ccc4c(c3)CCO4)ccc2NC1=O ZINC000193316255 1036589766 /nfs/dbraw/zinc/58/97/66/1036589766.db2.gz HISCCAZHQGYJLH-UHFFFAOYSA-N 0 0 337.423 3.644 10 0 EHAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157820943 1036632445 /nfs/dbraw/zinc/63/24/45/1036632445.db2.gz AGKLZQFKABXUAF-QGPMSJSTSA-N 0 0 341.451 3.945 10 0 EHAERN CC(C)n1nccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102940052 1036788274 /nfs/dbraw/zinc/78/82/74/1036788274.db2.gz UMNMIQIESIRFKK-AWEZNQCLSA-N 0 0 342.399 3.562 10 0 EHAERN CCCC[C@@H](NC(=O)NCc1cscn1)c1ccc(OC)cc1 ZINC000103181379 1036850590 /nfs/dbraw/zinc/85/05/90/1036850590.db2.gz KISPTVBCTGLXJY-MRXNPFEDSA-N 0 0 333.457 3.882 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCCCC[C@@H]1c1ccco1 ZINC000248915237 1037044617 /nfs/dbraw/zinc/04/46/17/1037044617.db2.gz VZIVDMIFEDIOMX-JFIYKMOQSA-N 0 0 332.444 3.864 10 0 EHAERN CCCC(=O)Nc1cccc(NCc2nc(-c3ccoc3)no2)c1C ZINC000105607000 1037200277 /nfs/dbraw/zinc/20/02/77/1037200277.db2.gz XRMQWDHBXDOKNE-UHFFFAOYSA-N 0 0 340.383 3.989 10 0 EHAERN COc1ccsc1C(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000105943853 1037260571 /nfs/dbraw/zinc/26/05/71/1037260571.db2.gz UBVLOIWVTIRLSC-AWEZNQCLSA-N 0 0 347.436 3.751 10 0 EHAERN O=C(COc1ccc(Cl)c2cccnc12)N1Cc2ccccc2C1 ZINC000105977042 1037267755 /nfs/dbraw/zinc/26/77/55/1037267755.db2.gz CFXKMOVVJBTXQB-UHFFFAOYSA-N 0 0 338.794 3.809 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000104457233 1037294016 /nfs/dbraw/zinc/29/40/16/1037294016.db2.gz RMTBOBQCNBQKNG-UHFFFAOYSA-N 0 0 349.377 3.540 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000104460411 1037295621 /nfs/dbraw/zinc/29/56/21/1037295621.db2.gz CDILPDSPCZJXNZ-UHFFFAOYSA-N 0 0 339.435 3.799 10 0 EHAERN CCCC(=O)NCC(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000104484332 1037300284 /nfs/dbraw/zinc/30/02/84/1037300284.db2.gz QJBDJYFJKHHPDQ-UHFFFAOYSA-N 0 0 328.865 3.695 10 0 EHAERN OCc1cc2ccccc2nc1N1CCC(Cc2ccccn2)CC1 ZINC000193569152 1037383497 /nfs/dbraw/zinc/38/34/97/1037383497.db2.gz PQERDHGTULBHCR-UHFFFAOYSA-N 0 0 333.435 3.581 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000377193820 1037523546 /nfs/dbraw/zinc/52/35/46/1037523546.db2.gz FAADMTXOGKDPPD-UHFFFAOYSA-N 0 0 331.338 3.610 10 0 EHAERN CCCc1ccccc1NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000109381465 1037665230 /nfs/dbraw/zinc/66/52/30/1037665230.db2.gz RPASFOYFWPLCNC-SFHVURJKSA-N 0 0 349.438 3.977 10 0 EHAERN O=C1Nc2ccccc2[C@@H]1Cc1nc(Cc2ccc(Cl)cc2)no1 ZINC000109613270 1037675673 /nfs/dbraw/zinc/67/56/73/1037675673.db2.gz HUWBPKGRUBGCIL-AWEZNQCLSA-N 0 0 339.782 3.592 10 0 EHAERN C[C@H](CC1CC1)NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000112747857 1037768645 /nfs/dbraw/zinc/76/86/45/1037768645.db2.gz QSDYQWRWPZBOIW-GFCCVEGCSA-N 0 0 331.391 3.511 10 0 EHAERN CCOCCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218189 1037779267 /nfs/dbraw/zinc/77/92/67/1037779267.db2.gz JTGQGCMMYHGUHP-KRWDZBQOSA-N 0 0 341.455 3.599 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000113218257 1037779899 /nfs/dbraw/zinc/77/98/99/1037779899.db2.gz VGISHTDORNQUGA-SFHVURJKSA-N 0 0 346.434 3.800 10 0 EHAERN CS[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218982 1037780613 /nfs/dbraw/zinc/78/06/13/1037780613.db2.gz LAMUIZWDAOPITO-UKRRQHHQSA-N 0 0 329.469 3.534 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116186421 1037837487 /nfs/dbraw/zinc/83/74/87/1037837487.db2.gz MVZMIYUHPGVEJQ-OLZOCXBDSA-N 0 0 341.317 3.757 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)CCC2 ZINC000332688476 1037949932 /nfs/dbraw/zinc/94/99/32/1037949932.db2.gz PXLSJEDKRCOHCI-GDBMZVCRSA-N 0 0 344.434 3.611 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000332783554 1037953127 /nfs/dbraw/zinc/95/31/27/1037953127.db2.gz ZYFODDSEHAOQGL-VYIWNADRSA-N 0 0 347.503 3.873 10 0 EHAERN CCCOc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000125370308 1038317505 /nfs/dbraw/zinc/31/75/05/1038317505.db2.gz YXTMFFUGOLYYPX-SFHVURJKSA-N 0 0 341.411 3.556 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000125026035 1039129152 /nfs/dbraw/zinc/12/91/52/1039129152.db2.gz PBIXVFCNIIZQPK-PMPSAXMXSA-N 0 0 347.507 3.750 10 0 EHAERN Cc1cnn([C@H]2CCCN([C@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000247771028 1039772393 /nfs/dbraw/zinc/77/23/93/1039772393.db2.gz PEFXVDSUEXDQFS-PBHICJAKSA-N 0 0 346.862 3.509 10 0 EHAERN O=C(NCC1CC(c2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332729327 1040111538 /nfs/dbraw/zinc/11/15/38/1040111538.db2.gz XSUOGPMOFWLHBY-CULRFDQTSA-N 0 0 342.483 3.517 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)o1 ZINC000332843501 1040147616 /nfs/dbraw/zinc/14/76/16/1040147616.db2.gz PEDJICGNKAMPST-OCCSQVGLSA-N 0 0 348.472 3.707 10 0 EHAERN O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000332906224 1040185538 /nfs/dbraw/zinc/18/55/38/1040185538.db2.gz SHBVYAGEDKAPTE-STCOUPBVSA-N 0 0 348.874 3.843 10 0 EHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@@H](O)C23CCCC3)cc1 ZINC000332988145 1040753908 /nfs/dbraw/zinc/75/39/08/1040753908.db2.gz CDCDIJLBZSFQMR-CRAIPNDOSA-N 0 0 330.472 3.960 10 0 EHAERN CC1(C)C[C@@H](NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)CCO1 ZINC000120771190 1041163492 /nfs/dbraw/zinc/16/34/92/1041163492.db2.gz ZADVUMNXAAJVEU-DOTOQJQBSA-N 0 0 330.472 3.957 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CCCC2(CCOCC2)C1 ZINC000408258224 1042870066 /nfs/dbraw/zinc/87/00/66/1042870066.db2.gz YZQSHLVQWWUJJZ-UHFFFAOYSA-N 0 0 344.242 3.813 10 0 EHAERN CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@H]1O ZINC000408254044 1042870110 /nfs/dbraw/zinc/87/01/10/1042870110.db2.gz BOCDJEYUWOKPGC-BXKDBHETSA-N 0 0 346.258 3.649 10 0 EHAERN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CC[C@@H]2CCC[C@H]21 ZINC000330322523 1042901649 /nfs/dbraw/zinc/90/16/49/1042901649.db2.gz SNRZAKXYKVNOSU-SMDDNHRTSA-N 0 0 342.420 3.553 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1)CCCC2 ZINC000279096724 1043345245 /nfs/dbraw/zinc/34/52/45/1043345245.db2.gz ABANECHXHWQBNX-ZDUSSCGKSA-N 0 0 333.819 3.523 10 0 EHAERN O=C(c1cc(-c2ccccc2)ns1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408350571 1043599161 /nfs/dbraw/zinc/59/91/61/1043599161.db2.gz SKVHNLJWARXNBU-BEFAXECRSA-N 0 0 342.464 3.577 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCSCC[C@H]2C)c(Cl)c1 ZINC000408351236 1043604878 /nfs/dbraw/zinc/60/48/78/1043604878.db2.gz ZCXXSCPWYCHVCG-SNVBAGLBSA-N 0 0 341.864 3.658 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000162873687 1043820643 /nfs/dbraw/zinc/82/06/43/1043820643.db2.gz ODYRMEGILRPLBI-UONOGXRCSA-N 0 0 341.317 3.757 10 0 EHAERN O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000187341383 1043954948 /nfs/dbraw/zinc/95/49/48/1043954948.db2.gz RZLXFBXBWJMWFR-SUMWQHHRSA-N 0 0 344.846 3.716 10 0 EHAERN CC(C)c1nnc([C@@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)CCO2)o1 ZINC000408385341 1044488896 /nfs/dbraw/zinc/48/88/96/1044488896.db2.gz JZIYDQNPDKTWGH-GJZGRUSLSA-N 0 0 349.475 3.699 10 0 EHAERN CCCSCC(=O)Oc1ccc(Br)cc1C(C)=O ZINC000102711423 1135629051 /nfs/dbraw/zinc/62/90/51/1135629051.db2.gz IWFOQORDYXOHGW-UHFFFAOYSA-N 0 0 331.231 3.700 10 0 EHAERN C[C@@H]1CC(CNC(=O)N2CCCCC[C@H]2c2ccncc2)C[C@@H](C)O1 ZINC000282260002 1128137221 /nfs/dbraw/zinc/13/72/21/1128137221.db2.gz PCCJCNCIHMWQDS-MDZRGWNJSA-N 0 0 345.487 3.912 10 0 EHAERN CC(C)[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000268802759 1128698590 /nfs/dbraw/zinc/69/85/90/1128698590.db2.gz BBSAFHJXEMWPRU-BJLQDIEVSA-N 0 0 330.472 3.720 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000268931409 1128728726 /nfs/dbraw/zinc/72/87/26/1128728726.db2.gz XMZJBXNNNFESSM-KPZWWZAWSA-N 0 0 332.831 3.589 10 0 EHAERN Cc1ccc(SCC(=O)OCc2nccn2CC(F)(F)F)cc1 ZINC000103219026 1132753605 /nfs/dbraw/zinc/75/36/05/1132753605.db2.gz FTFXGAAIXVSLLJ-UHFFFAOYSA-N 0 0 344.358 3.589 10 0 EHAERN COCCc1ccc(OC(=O)C[C@@H](C)c2ccccc2OC)cc1 ZINC000103329530 1132824700 /nfs/dbraw/zinc/82/47/00/1132824700.db2.gz JMEBLUPYFZDVEE-OAHLLOKOSA-N 0 0 328.408 3.983 10 0 EHAERN O=C(CCc1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000001285155 1135103823 /nfs/dbraw/zinc/10/38/23/1135103823.db2.gz CQUXSLUOBCYPOO-UHFFFAOYSA-N 0 0 344.842 3.748 10 0 EHAERN CC(C)OC[C@H](O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000102648435 1135614884 /nfs/dbraw/zinc/61/48/84/1135614884.db2.gz RXAOTEQWXAAVFR-LBPRGKRZSA-N 0 0 342.511 3.541 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000105046220 1135909046 /nfs/dbraw/zinc/90/90/46/1135909046.db2.gz CXAOCECQFSRQAH-UHFFFAOYSA-N 0 0 329.709 3.816 10 0 EHAERN CCCOc1ccc(COC(=O)/C=C/c2cncc(F)c2)cc1OC ZINC000105364532 1135944573 /nfs/dbraw/zinc/94/45/73/1135944573.db2.gz LGXCUOUNMSAZAD-FNORWQNLSA-N 0 0 345.370 3.775 10 0 EHAERN Cc1noc(CCNC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)n1 ZINC000101619042 1137871078 /nfs/dbraw/zinc/87/10/78/1137871078.db2.gz BXUMWFHNXLTDNN-SFHVURJKSA-N 0 0 344.459 3.740 10 0 EHAERN COc1ccccc1[C@@H](C)CC(=O)N1CCC(OCC(C)C)CC1 ZINC000102996674 1137874838 /nfs/dbraw/zinc/87/48/38/1137874838.db2.gz FODBILCZYKZROO-INIZCTEOSA-N 0 0 333.472 3.852 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccccc1-n1cccn1 ZINC000105001175 1137879888 /nfs/dbraw/zinc/87/98/88/1137879888.db2.gz YNOFRZAHOTUADA-UHFFFAOYSA-N 0 0 349.438 3.754 10 0 EHAERN NC(=O)c1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1 ZINC000333203381 1137958067 /nfs/dbraw/zinc/95/80/67/1137958067.db2.gz IKMWYHQERHQONM-UHFFFAOYSA-N 0 0 331.391 3.655 10 0 EHAERN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1C[C@@H]2CCC[C@H]21 ZINC000333361364 1138281039 /nfs/dbraw/zinc/28/10/39/1138281039.db2.gz UJQKLXNCZBDFGT-YQQAZPJKSA-N 0 0 330.428 3.651 10 0 EHAERN O=C(Nc1ccc2c(n1)CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000333730448 1138326566 /nfs/dbraw/zinc/32/65/66/1138326566.db2.gz WMDDOJHUYKPAJK-QGZVFWFLSA-N 0 0 347.422 3.816 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)C1(C)C ZINC000333831928 1138336675 /nfs/dbraw/zinc/33/66/75/1138336675.db2.gz JNRZREJGDKYCKE-RAKLQZGLSA-N 0 0 333.476 3.709 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCOc3ccccc32)cs1 ZINC000186258607 1140195156 /nfs/dbraw/zinc/19/51/56/1140195156.db2.gz ZBJUFQNUXFPWFY-HOCLYGCPSA-N 0 0 343.452 3.822 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(F)c(F)c(F)c2)cs1 ZINC000187004144 1140231915 /nfs/dbraw/zinc/23/19/15/1140231915.db2.gz AVAUEQZJCOQSFZ-ZDUSSCGKSA-N 0 0 326.343 3.846 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2ccc(C)cc2)cs1 ZINC000187131513 1140240724 /nfs/dbraw/zinc/24/07/24/1140240724.db2.gz HNZMEYHTEGWYSZ-KRWDZBQOSA-N 0 0 329.469 3.849 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCn2cnc3ccccc32)cs1 ZINC000190014383 1140379758 /nfs/dbraw/zinc/37/97/58/1140379758.db2.gz UREUCDDNGUEAKJ-KRWDZBQOSA-N 0 0 340.452 3.555 10 0 EHAERN Cc1cc([C@@H]2CCCN(C(=O)c3sc(C(C)(C)C)nc3C)C2)[nH]n1 ZINC000283201311 1141572291 /nfs/dbraw/zinc/57/22/91/1141572291.db2.gz MVMRIMDLACZWQJ-CYBMUJFWSA-N 0 0 346.500 3.800 10 0 EHAERN COc1ccc(Br)cc1CSc1ccc(N)cn1 ZINC000049596399 214020989 /nfs/dbraw/zinc/02/09/89/214020989.db2.gz WUNMKNVYUYGSLM-UHFFFAOYSA-N 0 0 325.231 3.727 10 0 EHAERN C[C@@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)NCCO2 ZINC000098088090 219081862 /nfs/dbraw/zinc/08/18/62/219081862.db2.gz KJKISBSTHVUMEV-BUUCAEBMSA-N 0 0 326.371 3.521 10 0 EHAERN Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000003961852 210095967 /nfs/dbraw/zinc/09/59/67/210095967.db2.gz BOPSUAHGQHFKGG-UHFFFAOYSA-N 0 0 348.446 3.694 10 0 in-vivo EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-n1cccn1 ZINC000045062993 213705334 /nfs/dbraw/zinc/70/53/34/213705334.db2.gz XVZGHMDZPOKTLT-CHWSQXEVSA-N 0 0 337.345 3.723 10 0 EHAERN COc1ccc(C[C@@H](O)c2sccc2Br)cc1OC ZINC000104294171 219371808 /nfs/dbraw/zinc/37/18/08/219371808.db2.gz NMVKCIANOYZTMS-LLVKDONJSA-N 0 0 343.242 3.804 10 0 EHAERN CCCOc1ccc(/C=C/C(=O)Oc2ccc(C(=O)OC)cc2)cc1 ZINC000040883777 213397114 /nfs/dbraw/zinc/39/71/14/213397114.db2.gz BBRHJOXBLOOLFB-AWNIVKPZSA-N 0 0 340.375 3.881 10 0 EHAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Nc1cccnc1Cl ZINC000040800280 213388823 /nfs/dbraw/zinc/38/88/23/213388823.db2.gz FXLIMSWIOVSZME-UHFFFAOYSA-N 0 0 348.744 3.873 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3ccccc3OC)c2N)cc1 ZINC000040781512 213385985 /nfs/dbraw/zinc/38/59/85/213385985.db2.gz JEIDHWQPEOLNRM-UHFFFAOYSA-N 0 0 337.383 3.563 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3cc(Cl)ccc3Cl)c2N)n1 ZINC000040778499 213385982 /nfs/dbraw/zinc/38/59/82/213385982.db2.gz PBSHNPUKXZJJGG-UHFFFAOYSA-N 0 0 349.225 3.912 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2ccc(F)cc2)c1N ZINC000040781511 213385795 /nfs/dbraw/zinc/38/57/95/213385795.db2.gz ZWJBKBSRBALGLU-UHFFFAOYSA-N 0 0 325.347 3.694 10 0 EHAERN Cc1ccc(Nc2ncnc(Oc3cccc4cccnc43)c2N)nc1 ZINC000040752206 213381692 /nfs/dbraw/zinc/38/16/92/213381692.db2.gz AIEDFIALFUUSIB-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccccc1F ZINC000040759308 213383646 /nfs/dbraw/zinc/38/36/46/213383646.db2.gz WNVRAUOGMVJCLG-UHFFFAOYSA-N 0 0 327.338 3.693 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)c(C)c1 ZINC000040684765 213369402 /nfs/dbraw/zinc/36/94/02/213369402.db2.gz FZMKIVVIAYTPCD-UHFFFAOYSA-N 0 0 349.394 3.892 10 0 EHAERN Cc1cc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)no1 ZINC000040680817 213367693 /nfs/dbraw/zinc/36/76/93/213367693.db2.gz XRXAGPBVCBHXKW-UHFFFAOYSA-N 0 0 330.779 3.804 10 0 EHAERN COc1ccc2nc(Nc3ncnc(NC(C)(C)C)c3N)sc2c1 ZINC000040680624 213368428 /nfs/dbraw/zinc/36/84/28/213368428.db2.gz WCCKCYDSPPOMMF-UHFFFAOYSA-N 0 0 344.444 3.631 10 0 EHAERN Cc1cc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)no1 ZINC000040680834 213368324 /nfs/dbraw/zinc/36/83/24/213368324.db2.gz HOIRUNRLSULOGQ-UHFFFAOYSA-N 0 0 330.779 3.804 10 0 EHAERN Cc1cc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)no1 ZINC000040680826 213367873 /nfs/dbraw/zinc/36/78/73/213367873.db2.gz LDQLJIPJYQHZCQ-UHFFFAOYSA-N 0 0 330.779 3.804 10 0 EHAERN O=C(CCOCC(F)(F)F)Nc1scnc1-c1ccc(F)cc1 ZINC000069616638 215498338 /nfs/dbraw/zinc/49/83/38/215498338.db2.gz DFEDCHZMLIFLFJ-UHFFFAOYSA-N 0 0 348.321 3.857 10 0 EHAERN CC(=O)Nc1ccc(N(C(C)=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000039239931 213232350 /nfs/dbraw/zinc/23/23/50/213232350.db2.gz BHQHRYHJYGUVMG-UHFFFAOYSA-N 0 0 326.440 3.967 10 0 EHAERN COc1ccc(N)cc1CNC(=O)c1ccc(Cl)cc1Cl ZINC000038033283 213194799 /nfs/dbraw/zinc/19/47/99/213194799.db2.gz UJZIUWURWHRFGF-UHFFFAOYSA-N 0 0 325.195 3.514 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCC1)c1cc(Br)ccc1F ZINC000037970746 213178072 /nfs/dbraw/zinc/17/80/72/213178072.db2.gz BRMVLIWZPRZLAA-AWEZNQCLSA-N 0 0 344.224 3.725 10 0 EHAERN CCOC(=O)[C@@](C)(NC1CCCC1)c1cccc(Br)c1 ZINC000037970556 213177529 /nfs/dbraw/zinc/17/75/29/213177529.db2.gz WQBYIMRFRKYXLF-INIZCTEOSA-N 0 0 340.261 3.760 10 0 EHAERN CC(C)n1cc(Br)cc1C(=O)N[C@H](C)c1ccco1 ZINC000037506981 213151497 /nfs/dbraw/zinc/15/14/97/213151497.db2.gz GPDKISYCXGRYQS-SNVBAGLBSA-N 0 0 325.206 3.916 10 0 EHAERN O=C(NC1CC1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000035502574 213033578 /nfs/dbraw/zinc/03/35/78/213033578.db2.gz HWQHUWUYILHBHN-UHFFFAOYSA-N 0 0 330.391 3.779 10 0 EHAERN Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)c(Cl)c1 ZINC000034973225 213003707 /nfs/dbraw/zinc/00/37/07/213003707.db2.gz IMVUGFLUEOGCOT-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)N3CCCC3)sc(=S)n12 ZINC000033251562 212909516 /nfs/dbraw/zinc/90/95/16/212909516.db2.gz XGCQWFMPTPFTGA-UHFFFAOYSA-N 0 0 345.449 3.529 10 0 EHAERN COc1cc2oc(=O)c(Br)c(C)c2cc1Br ZINC000029131680 212654163 /nfs/dbraw/zinc/65/41/63/212654163.db2.gz BVEAALXPFNIUCB-UHFFFAOYSA-N 0 0 347.990 3.635 10 0 EHAERN COc1ccc([P@@]2(=O)S[C@H](C(C)(C)C)C(=S)N2C)cc1 ZINC000000163882 209458922 /nfs/dbraw/zinc/45/89/22/209458922.db2.gz HMXWKZXUIKGSQK-KPZWWZAWSA-N 0 0 329.427 3.934 10 0 EHAERN COc1cccc(C2=NN(C(N)=S)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000072414898 216205077 /nfs/dbraw/zinc/20/50/77/216205077.db2.gz LDGMKJJZYJOPSG-INIZCTEOSA-N 0 0 345.855 3.743 10 0 EHAERN COc1cc(F)c(C(=O)c2cccc(Br)c2)c(F)c1 ZINC000037903138 213172660 /nfs/dbraw/zinc/17/26/60/213172660.db2.gz BXFUYWYDGNTURG-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN COCc1nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2n1 ZINC000072439798 216233130 /nfs/dbraw/zinc/23/31/30/216233130.db2.gz ASODKTSWFXVSQX-UHFFFAOYSA-N 0 0 346.390 3.517 10 0 EHAERN CCc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450917 216238853 /nfs/dbraw/zinc/23/88/53/216238853.db2.gz NLTROBFVNPWUGN-UHFFFAOYSA-N 0 0 336.366 3.996 10 0 EHAERN O=C(NCc1ccco1)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450746 216239064 /nfs/dbraw/zinc/23/90/64/216239064.db2.gz AGPZZMAFIRJIGD-UHFFFAOYSA-N 0 0 344.370 3.718 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4ccncc4)c3c(=O)[nH]2)cc1C ZINC000072441013 216235273 /nfs/dbraw/zinc/23/52/73/216235273.db2.gz YQWAFCPFFXCDAA-UHFFFAOYSA-N 0 0 343.390 3.741 10 0 EHAERN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCCC(C)C ZINC000023298902 212367522 /nfs/dbraw/zinc/36/75/22/212367522.db2.gz RSBSETWGXGQTIZ-UHFFFAOYSA-N 0 0 330.476 3.724 10 0 EHAERN Cc1c(N)cccc1NC(=O)CCOc1cccc(Br)c1 ZINC000022165199 212280149 /nfs/dbraw/zinc/28/01/49/212280149.db2.gz NTCOFQSUDKKXMB-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN COc1ccc(-c2cc(C(F)(F)F)nc(Br)n2)cc1 ZINC000217029076 241232592 /nfs/dbraw/zinc/23/25/92/241232592.db2.gz YUJXJJKGRGQUFB-UHFFFAOYSA-N 0 0 333.107 3.934 10 0 EHAERN COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1Br)O2 ZINC000022003028 212268597 /nfs/dbraw/zinc/26/85/97/212268597.db2.gz VWHHWLMRPXKRKT-OAHLLOKOSA-N 0 0 333.181 3.912 10 0 EHAERN CC(C)CCNC(=O)[C@H](C)Nc1ccc(Br)cc1F ZINC000020420299 212128102 /nfs/dbraw/zinc/12/81/02/212128102.db2.gz CPPPIWVHCZUZML-JTQLQIEISA-N 0 0 331.229 3.551 10 0 EHAERN Cc1cc(C)cc(N2C[C@H](C(=O)N3c4ccccc4C[C@@H]3C)CC2=O)c1 ZINC000020374089 212123382 /nfs/dbraw/zinc/12/33/82/212123382.db2.gz KQHNVJJZUGJMPH-FUHWJXTLSA-N 0 0 348.446 3.634 10 0 EHAERN CCOC(=O)c1sc2nc(C)nc(Nc3ccc(O)cc3)c2c1C ZINC000020325907 212119489 /nfs/dbraw/zinc/11/94/89/212119489.db2.gz OBSYHOKNIFFFKS-UHFFFAOYSA-N 0 0 343.408 3.934 10 0 EHAERN Cc1ccc(OCCC(=O)Nc2cccc(N)c2)c(Br)c1 ZINC000020077814 212099684 /nfs/dbraw/zinc/09/96/84/212099684.db2.gz OJIOCPNHEJMMDN-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN Nc1cc(F)ccc1NC(=O)c1ccc(Br)cc1F ZINC000019512270 212034428 /nfs/dbraw/zinc/03/44/28/212034428.db2.gz HHLRHWSGCYXHAP-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O ZINC000079034719 217178898 /nfs/dbraw/zinc/17/88/98/217178898.db2.gz IOUTZZNYNOHZOR-FQEVSTJZSA-N 0 0 344.455 3.579 10 0 EHAERN Cc1cccc(CN2[C@H](C(C)C)Nc3cc(C)ccc3S2(=O)=O)c1 ZINC000009530367 211099972 /nfs/dbraw/zinc/09/99/72/211099972.db2.gz OVWKKCMSODLUCX-LJQANCHMSA-N 0 0 344.480 3.902 10 0 EHAERN Cc1cc(C)nc(OCCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000095089869 218279556 /nfs/dbraw/zinc/27/95/56/218279556.db2.gz NRJNTIGWUMOANA-UHFFFAOYSA-N 0 0 349.475 3.900 10 0 EHAERN C[C@@H](c1nccs1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089111 218279564 /nfs/dbraw/zinc/27/95/64/218279564.db2.gz DBMXMOHABMGRAU-QWHCGFSZSA-N 0 0 325.478 3.583 10 0 EHAERN Cc1ccccc1Cn1c2ccccc2nc1N1CCCC[C@@H]1CO ZINC000095090264 218280079 /nfs/dbraw/zinc/28/00/79/218280079.db2.gz WJOYGTJAUMGQQQ-GOSISDBHSA-N 0 0 335.451 3.744 10 0 EHAERN CC(C)C(=O)NC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC000008558139 210965176 /nfs/dbraw/zinc/96/51/76/210965176.db2.gz CDAZITRNIFPJFW-UHFFFAOYSA-N 0 0 328.437 3.735 10 0 EHAERN CCOc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)O ZINC000040224872 521566283 /nfs/dbraw/zinc/56/62/83/521566283.db2.gz MTTLOISVIOQPCY-CQSZACIVSA-N 0 0 326.396 3.567 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cnc([C@@H]3CCCO3)s2)cs1 ZINC000187009834 527050229 /nfs/dbraw/zinc/05/02/29/527050229.db2.gz GIUULFVWPDJZGL-STQMWFEESA-N 0 0 349.481 3.737 10 0 EHAERN Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(O)cc2)c(C)c1 ZINC000003084495 563471347 /nfs/dbraw/zinc/47/13/47/563471347.db2.gz ACWKTTCVNRBCOY-UHFFFAOYSA-N 0 0 348.366 3.822 10 0 EHAERN COc1ccc(Cc2nccc3cc(O)c(OC)cc32)cc1OC ZINC000006018637 563557418 /nfs/dbraw/zinc/55/74/18/563557418.db2.gz BFMUDRSIIFRJOG-UHFFFAOYSA-N 0 0 325.364 3.557 10 0 biogenic,in-vitro EHAERN COc1ccc(/C=C2\S[C@@H]3Nc4ccccc4N3C2=O)c(OC)c1 ZINC000048513035 563930598 /nfs/dbraw/zinc/93/05/98/563930598.db2.gz VMKFBXBAIXRWCN-YZIPPPLESA-N 0 0 340.404 3.534 10 0 EHAERN COc1ccc(Br)cc1CNCc1nc2ccccc2[nH]1 ZINC000048435718 563987517 /nfs/dbraw/zinc/98/75/17/563987517.db2.gz YARQJJRKUSADGJ-UHFFFAOYSA-N 0 0 346.228 3.624 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(Br)cn2)C1 ZINC000238106960 564051495 /nfs/dbraw/zinc/05/14/95/564051495.db2.gz IKDCHXFQDHVHOK-SNVBAGLBSA-N 0 0 327.222 3.569 10 0 EHAERN Cc1cccc(N2CCC[C@@H](C(=O)C(C)C)C2=O)c1Br ZINC000536951382 564091745 /nfs/dbraw/zinc/09/17/45/564091745.db2.gz USEDYXPEFMOTHD-LBPRGKRZSA-N 0 0 338.245 3.726 10 0 EHAERN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)C(C)C)CC1)N2 ZINC000064858630 564097115 /nfs/dbraw/zinc/09/71/15/564097115.db2.gz ILKUTHYUESKOLU-UHFFFAOYSA-N 0 0 337.467 3.993 10 0 EHAERN Cc1ccn2c(c1)nc(C)c(NC(=O)c1ccc(C(C)(C)C)cc1)c2=O ZINC000017143888 564116542 /nfs/dbraw/zinc/11/65/42/564116542.db2.gz XNOIHEGGTWXMMM-UHFFFAOYSA-N 0 0 349.434 3.861 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@]2(F)c2ccccc2)no1 ZINC000412142784 564117842 /nfs/dbraw/zinc/11/78/42/564117842.db2.gz BZGUSZQTMVSBTN-VCBZYWHSSA-N 0 0 343.402 3.741 10 0 EHAERN CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)C1(O)CCCCC1 ZINC000048523837 564129297 /nfs/dbraw/zinc/12/92/97/564129297.db2.gz SZXUSHYZNNDTLV-AWEZNQCLSA-N 0 0 342.476 3.761 10 0 EHAERN COc1cc(/C=C/C(=O)N2CCCC2)ccc1OCc1ccccc1 ZINC000048545790 564129378 /nfs/dbraw/zinc/12/93/78/564129378.db2.gz HWDNEPZKIPZPMZ-ZRDIBKRKSA-N 0 0 337.419 3.910 10 0 EHAERN C[C@H](COCc1ccccc1)CC(=O)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000685961765 564177179 /nfs/dbraw/zinc/17/71/79/564177179.db2.gz ODUZXIMKLZEHQD-HOTGVXAUSA-N 0 0 349.471 3.959 10 0 EHAERN CN(CC(=O)c1sccc1Br)C(=O)OC(C)(C)C ZINC000405500174 564177568 /nfs/dbraw/zinc/17/75/68/564177568.db2.gz MZOPKFCLPZUJLK-UHFFFAOYSA-N 0 0 334.235 3.560 10 0 EHAERN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C)c1Br ZINC000719576532 955169891 /nfs/dbraw/zinc/16/98/91/955169891.db2.gz HFWRLWMPUCVTCV-QMTHXVAHSA-N 0 0 340.261 3.609 10 0 EHAERN Cc1cc(C)c(C(=O)NC2CCN(c3cccs3)CC2)c(Cl)n1 ZINC000182143091 1032068824 /nfs/dbraw/zinc/06/88/24/1032068824.db2.gz XYXAHLJUUREUPB-UHFFFAOYSA-N 0 0 349.887 3.812 10 0 EHAERN O=C(c1cc(OCC(F)F)ccn1)N1CC=C(c2ccccc2)CC1 ZINC000182195511 1032078071 /nfs/dbraw/zinc/07/80/71/1032078071.db2.gz MHVOKYYLQNPXJO-UHFFFAOYSA-N 0 0 344.361 3.655 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C[C@H](C)C3CCCCC3)C2)n1 ZINC000116772980 1014274309 /nfs/dbraw/zinc/27/43/09/1014274309.db2.gz DKMSSDOHMFRYJX-MAUKXSAKSA-N 0 0 346.519 3.740 10 0 EHAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CCC23CCCC3)c(Br)c1 ZINC000694459927 976694648 /nfs/dbraw/zinc/69/46/48/976694648.db2.gz TWQFXBHHJBXPOF-CQSZACIVSA-N 0 0 338.245 3.960 10 0 EHAERN CCC[C@@](C)([NH2+]Cc1ccc(C)c(Br)c1C)C(=O)[O-] ZINC000719563029 978011106 /nfs/dbraw/zinc/01/11/06/978011106.db2.gz UIUIBDHWFWDBTA-OAHLLOKOSA-N 0 0 328.250 3.799 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2ccc(C)o2)cc1 ZINC000182563598 1032109894 /nfs/dbraw/zinc/10/98/94/1032109894.db2.gz DZZPJLUIRAZTAX-QAPCUYQASA-N 0 0 342.439 3.611 10 0 EHAERN CC(C)(C)c1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cs1 ZINC000407965977 1016530232 /nfs/dbraw/zinc/53/02/32/1016530232.db2.gz XMVJGTXTDZFNRC-NWANDNLSSA-N 0 0 336.501 3.596 10 0 EHAERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(C)nc4c3cnn4C)C2)c1 ZINC000183782109 1032205715 /nfs/dbraw/zinc/20/57/15/1032205715.db2.gz DHQFBKXJLOELKI-INIZCTEOSA-N 0 0 348.450 3.523 10 0 EHAERN C[C@@H](NC(=O)N1CC=C(c2ccccc2F)CC1)c1ccccn1 ZINC000184373284 1032287514 /nfs/dbraw/zinc/28/75/14/1032287514.db2.gz GRSVESLPZPGNBN-CQSZACIVSA-N 0 0 325.387 3.781 10 0 EHAERN CC(C)c1ccc(NC(=O)N[C@H](C)c2nnc3n2CCCC3)cc1F ZINC000184471553 1032303861 /nfs/dbraw/zinc/30/38/61/1032303861.db2.gz ZJZVYZYHFCTISR-GFCCVEGCSA-N 0 0 345.422 3.760 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)Nc3cccc(C)c3)CC2)nc1 ZINC000185547326 1032440805 /nfs/dbraw/zinc/44/08/05/1032440805.db2.gz GXDVFFROVYHNBS-UHFFFAOYSA-N 0 0 325.412 3.774 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccccc3C)C2)c1 ZINC000081642448 1032616575 /nfs/dbraw/zinc/61/65/75/1032616575.db2.gz ZSXGCLIYAPIRNB-OAHLLOKOSA-N 0 0 325.408 3.642 10 0 EHAERN CC1(C)C(CNC(=O)N[C@H]2CCO[C@H](c3cccs3)C2)C1(C)C ZINC000333252535 1018963487 /nfs/dbraw/zinc/96/34/87/1018963487.db2.gz SGFDPUXZQQZTER-STQMWFEESA-N 0 0 336.501 3.950 10 0 EHAERN C[C@@H]1CCCC[C@@H]1c1noc(C2CN(C(=O)C3CCCCC3)C2)n1 ZINC000333373855 1019425135 /nfs/dbraw/zinc/42/51/35/1019425135.db2.gz AATAVHUIBUZHPF-CJNGLKHVSA-N 0 0 331.460 3.869 10 0 EHAERN Cc1nc([C@H]2CCCN2Cc2nc(-c3ccsc3)oc2C)no1 ZINC000328742917 1019534980 /nfs/dbraw/zinc/53/49/80/1019534980.db2.gz JTBGJRQKIZMTRR-CQSZACIVSA-N 0 0 330.413 3.740 10 0 EHAERN Cc1c(NS(=O)(=O)/C=C\c2ccc(F)cc2)cccc1N(C)C ZINC000588385967 1019843241 /nfs/dbraw/zinc/84/32/41/1019843241.db2.gz HWTVAUPKMNMAOO-QXMHVHEDSA-N 0 0 334.416 3.613 10 0 EHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1cnc([C@@H]2CCCO2)s1 ZINC000089739002 1020318558 /nfs/dbraw/zinc/31/85/58/1020318558.db2.gz JHNFQGUKGVGFHL-NUAPRZDKSA-N 0 0 332.469 3.549 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000588401170 1020511209 /nfs/dbraw/zinc/51/12/09/1020511209.db2.gz DNSZDCSEPXELCA-VMTBQTDASA-N 0 0 337.419 3.704 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000248001958 1021845561 /nfs/dbraw/zinc/84/55/61/1021845561.db2.gz KLWFSBZTGOIACY-FTRWYGJKSA-N 0 0 341.455 3.733 10 0 EHAERN C[C@H]1OCC[C@@H]1NC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000333712821 1021902178 /nfs/dbraw/zinc/90/21/78/1021902178.db2.gz MMWMPHMFPWYMSD-ZJUUUORDSA-N 0 0 337.832 3.762 10 0 EHAERN O=C(Nc1ccc2c(n1)CCC2)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000333715031 1021936743 /nfs/dbraw/zinc/93/67/43/1021936743.db2.gz UHMNNHAYVWXXBT-RYUDHWBXSA-N 0 0 327.350 3.813 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000128178203 1022419671 /nfs/dbraw/zinc/41/96/71/1022419671.db2.gz SJTRBQCMHGGAHI-QEXIELTASA-N 0 0 329.440 3.570 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)CC[C@H](C)c2ccccc2)[nH]1 ZINC000328750525 1022480433 /nfs/dbraw/zinc/48/04/33/1022480433.db2.gz RGRJPDICRUMNIM-YOEHRIQHSA-N 0 0 326.444 3.751 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@H](C)CCc2ccccc2F)[nH]1 ZINC000328750476 1022480893 /nfs/dbraw/zinc/48/08/93/1022480893.db2.gz RFRIDUKGCCHOCJ-CXAGYDPISA-N 0 0 344.434 3.575 10 0 EHAERN Cc1cc(F)ccc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101739612 1022689914 /nfs/dbraw/zinc/68/99/14/1022689914.db2.gz OSRPVUCXTKECPK-CQSZACIVSA-N 0 0 349.450 3.539 10 0 EHAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000189056968 1022940027 /nfs/dbraw/zinc/94/00/27/1022940027.db2.gz QQVBUGNBPZEQPH-WOSRLPQWSA-N 0 0 334.485 3.743 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Oc1cccc(NC(=O)c2ccco2)c1 ZINC000588453144 1023036577 /nfs/dbraw/zinc/03/65/77/1023036577.db2.gz GQFLVSLGCMBKIY-KTKRTIGZSA-N 0 0 348.358 3.854 10 0 EHAERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000190323174 1023274261 /nfs/dbraw/zinc/27/42/61/1023274261.db2.gz JNWUWCFDQCKUIL-SMDDNHRTSA-N 0 0 346.452 3.672 10 0 EHAERN Cc1cc(NC(=O)c2cccn2C2CCCC2)ccc1C(=O)N(C)C ZINC000182109512 1024073810 /nfs/dbraw/zinc/07/38/10/1024073810.db2.gz LJIUBKNQRKMVGH-UHFFFAOYSA-N 0 0 339.439 3.866 10 0 EHAERN CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1 ZINC000329844666 1033180789 /nfs/dbraw/zinc/18/07/89/1033180789.db2.gz LLBGJYNNNHLTGQ-CQSZACIVSA-N 0 0 335.469 3.944 10 0 EHAERN C[C@@H]1C[C@@H](c2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)CC(C)(C)C1 ZINC000329739481 1024167143 /nfs/dbraw/zinc/16/71/43/1024167143.db2.gz UWNCMNMOAHFLCR-BPLDGKMQSA-N 0 0 331.460 3.725 10 0 EHAERN Cc1nc(CC(C)C)c(NC(=O)N[C@H]2COc3ccccc32)s1 ZINC000135473077 1024270913 /nfs/dbraw/zinc/27/09/13/1024270913.db2.gz NMVIDSSSVZNVLC-AWEZNQCLSA-N 0 0 331.441 3.905 10 0 EHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2oc(CC3CC3)nc2C)C12CCCC2 ZINC000330005088 1024282593 /nfs/dbraw/zinc/28/25/93/1024282593.db2.gz DAZJXALYURMSIP-CVEARBPZSA-N 0 0 346.471 3.745 10 0 EHAERN C[C@@H](c1cc(Cl)ccc1Cl)N1CCC(n2cncn2)CC1 ZINC000151691857 1024416189 /nfs/dbraw/zinc/41/61/89/1024416189.db2.gz WJJMOTGUPDQTOQ-NSHDSACASA-N 0 0 325.243 3.983 10 0 EHAERN CC[C@H]1CCc2nc(NC(=O)N(C)[C@@H](C)c3cnn(C)c3)sc2C1 ZINC000194490992 1024418376 /nfs/dbraw/zinc/41/83/76/1024418376.db2.gz KWBUGLFYTGZSHO-RYUDHWBXSA-N 0 0 347.488 3.616 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)CCc3cccc(F)c3)CCO2)o1 ZINC000151730808 1024509753 /nfs/dbraw/zinc/50/97/53/1024509753.db2.gz ILNFZXSFHMVRQL-KUHUBIRLSA-N 0 0 345.414 3.896 10 0 EHAERN C[C@@H](CCC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000152126479 1025209716 /nfs/dbraw/zinc/20/97/16/1025209716.db2.gz LGXAWTNLDODSGU-KRWDZBQOSA-N 0 0 339.483 3.785 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H]1CCCCC1(C)C ZINC000121502839 1025469677 /nfs/dbraw/zinc/46/96/77/1025469677.db2.gz UDFNXELDTPZCLC-LSDHHAIUSA-N 0 0 332.492 3.959 10 0 EHAERN CCCc1nc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)no1 ZINC000451148035 1025602244 /nfs/dbraw/zinc/60/22/44/1025602244.db2.gz OMMOGSPWTPZMQN-UHFFFAOYSA-N 0 0 341.333 3.700 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000588508005 1025623094 /nfs/dbraw/zinc/62/30/94/1025623094.db2.gz QDXLSBKBNNXJLP-SYCZXOQXSA-N 0 0 347.455 3.976 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cnn(CC(C)C)c3C)CC2)n1 ZINC000166096839 1025627505 /nfs/dbraw/zinc/62/75/05/1025627505.db2.gz DUZYDOYJYHBVEI-UHFFFAOYSA-N 0 0 346.500 3.632 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)OC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000588509000 1025645676 /nfs/dbraw/zinc/64/56/76/1025645676.db2.gz BMEHFOUEOPERLV-ZUTYSQTGSA-N 0 0 343.467 3.613 10 0 EHAERN CC(C)(C)c1cnc(N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)s1 ZINC000329208196 1025666473 /nfs/dbraw/zinc/66/64/73/1025666473.db2.gz BPFQKSQBPUAUBN-UTUOFQBUSA-N 0 0 333.457 3.540 10 0 EHAERN Cc1csc([C@H]2CCCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n1 ZINC000329283737 1025720320 /nfs/dbraw/zinc/72/03/20/1025720320.db2.gz ODCAIKGZJRNELE-VFSICIBPSA-N 0 0 346.496 3.901 10 0 EHAERN COc1cccc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103176058 1026053318 /nfs/dbraw/zinc/05/33/18/1026053318.db2.gz IGHPJLQXYYDWDZ-UHFFFAOYSA-N 0 0 337.423 3.527 10 0 EHAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(C)C ZINC000103206828 1026057526 /nfs/dbraw/zinc/05/75/26/1026057526.db2.gz SHSCUPWZUNKQNF-RBUKOAKNSA-N 0 0 344.499 3.676 10 0 EHAERN CCc1ncsc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000121959294 1026061054 /nfs/dbraw/zinc/06/10/54/1026061054.db2.gz NAUVAODNIRSABO-JSGCOSHPSA-N 0 0 330.453 3.732 10 0 EHAERN CCCCCC[C@@H](C)NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000152453720 1026146134 /nfs/dbraw/zinc/14/61/34/1026146134.db2.gz YLVWWBZKBKZDOJ-HUUCEWRRSA-N 0 0 335.496 3.895 10 0 EHAERN C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000152496103 1026217900 /nfs/dbraw/zinc/21/79/00/1026217900.db2.gz UIIYNALYCRMOJQ-ZDUSSCGKSA-N 0 0 329.400 3.803 10 0 EHAERN CCCOC(=O)[C@H](OC(=O)/C=C\c1scnc1C)c1ccccc1 ZINC000588522037 1026349121 /nfs/dbraw/zinc/34/91/21/1026349121.db2.gz PBNNVQLQMOGRND-DOOKAGJSSA-N 0 0 345.420 3.702 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1ccc2ccccc2c1O ZINC000104906822 1026435000 /nfs/dbraw/zinc/43/50/00/1026435000.db2.gz HRDVNHOGFKBRGF-UHFFFAOYSA-N 0 0 335.403 3.869 10 0 EHAERN c1cnn([C@@H]2CCCN(c3ncnc4sc5c(c43)CCCC5)C2)c1 ZINC000301153845 1026704413 /nfs/dbraw/zinc/70/44/13/1026704413.db2.gz FIKLJXOCVKNXRU-CYBMUJFWSA-N 0 0 339.468 3.608 10 0 EHAERN Cc1cc(C)c(OC(=O)CCc2nc(-c3ccccn3)no2)c(C)c1 ZINC000122967513 1026878686 /nfs/dbraw/zinc/87/86/86/1026878686.db2.gz HUDGYIVJMGMYPO-UHFFFAOYSA-N 0 0 337.379 3.595 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(Cl)ccc3F)CCO2)o1 ZINC000153088533 1027017274 /nfs/dbraw/zinc/01/72/74/1027017274.db2.gz WJHQTNSQCVSRPF-HNNXBMFYSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3ccnc4ccccc34)CCO2)o1 ZINC000127075087 1027271411 /nfs/dbraw/zinc/27/14/11/1027271411.db2.gz YEWMSQRYDHOALZ-FHVRUZERSA-N 0 0 348.402 3.750 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)nc1 ZINC000127406908 1027306303 /nfs/dbraw/zinc/30/63/03/1027306303.db2.gz XXWNXBAEWUJPHK-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN Cc1cc([C@H]2CN(C(=O)[C@]3(C)CC3(Cl)Cl)CCO2)ccc1F ZINC000129033102 1027512659 /nfs/dbraw/zinc/51/26/59/1027512659.db2.gz XIXYPTABTOPKKP-HIFRSBDPSA-N 0 0 346.229 3.618 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000129257122 1027537804 /nfs/dbraw/zinc/53/78/04/1027537804.db2.gz OAPIHVBHBPSWAG-JQFCIGGWSA-N 0 0 336.451 3.858 10 0 EHAERN CCC(CC)(CC)CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000129609612 1027581993 /nfs/dbraw/zinc/58/19/93/1027581993.db2.gz XWOUDKYQPQNVKS-UHFFFAOYSA-N 0 0 334.508 3.601 10 0 EHAERN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CC=C(c2cccs2)CC1 ZINC000129685942 1027590184 /nfs/dbraw/zinc/59/01/84/1027590184.db2.gz PMMYZFNPKBILGP-JKSUJKDBSA-N 0 0 332.469 3.504 10 0 EHAERN CCOc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C)c1 ZINC000246209724 1028001705 /nfs/dbraw/zinc/00/17/05/1028001705.db2.gz FAEQKAMCDBHOKR-KBAYOESNSA-N 0 0 344.455 3.863 10 0 EHAERN O=C(NCc1cccc(OC(F)F)c1)N[C@@H]1CCOc2ccccc21 ZINC000051303901 1028015273 /nfs/dbraw/zinc/01/52/73/1028015273.db2.gz FJOCBXHYGJXIIZ-OAHLLOKOSA-N 0 0 348.349 3.611 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCCc3ccc(F)c(F)c3)CCO2)o1 ZINC000133483838 1028035030 /nfs/dbraw/zinc/03/50/30/1028035030.db2.gz CONZKKSXAXKXRZ-SFHVURJKSA-N 0 0 349.377 3.789 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3SCCc4ccccc43)CCO2)o1 ZINC000133655983 1028051625 /nfs/dbraw/zinc/05/16/25/1028051625.db2.gz KBGATKJNFOXLDY-ROUUACIJSA-N 0 0 343.448 3.519 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CCO2)o1 ZINC000133951355 1028083444 /nfs/dbraw/zinc/08/34/44/1028083444.db2.gz NDULDYGLLRMUJW-OAHLLOKOSA-N 0 0 339.313 3.821 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3OCC3CC3)CCO2)o1 ZINC000134039269 1028089950 /nfs/dbraw/zinc/08/99/50/1028089950.db2.gz RQKCFBUIAZBCLY-IBGZPJMESA-N 0 0 341.407 3.591 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N1CC=C(c2ccccc2F)CC1 ZINC000137344673 1028309655 /nfs/dbraw/zinc/30/96/55/1028309655.db2.gz XNZHXFZAISKQAT-IBGZPJMESA-N 0 0 325.383 3.565 10 0 EHAERN COc1ccc(SCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000067046653 1028353032 /nfs/dbraw/zinc/35/30/32/1028353032.db2.gz HVDNJVILHGNRED-CYBMUJFWSA-N 0 0 348.493 3.650 10 0 EHAERN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@H](c2nccs2)C1 ZINC000067048209 1028353310 /nfs/dbraw/zinc/35/33/10/1028353310.db2.gz RMIIASMGLBJENT-AWEZNQCLSA-N 0 0 338.436 3.553 10 0 EHAERN Cc1ccccc1C1(C(=O)N2CCC[C@@H](c3nccs3)C2)CC1 ZINC000067048682 1028353734 /nfs/dbraw/zinc/35/37/34/1028353734.db2.gz AJQTXZIZHVTMBH-OAHLLOKOSA-N 0 0 326.465 3.889 10 0 EHAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048483 1028353774 /nfs/dbraw/zinc/35/37/74/1028353774.db2.gz LBTHRFQIXLEAIM-VIFPVBQESA-N 0 0 344.267 3.808 10 0 EHAERN O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H](c2nccs2)C1 ZINC000067048557 1028353838 /nfs/dbraw/zinc/35/38/38/1028353838.db2.gz IAFRIRSRPVLHQP-KRWDZBQOSA-N 0 0 326.465 3.581 10 0 EHAERN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCc4cccnc43)ccc12 ZINC000193824767 1028470050 /nfs/dbraw/zinc/47/00/50/1028470050.db2.gz SGYSZPMUTSCBHO-MRXNPFEDSA-N 0 0 334.375 3.555 10 0 EHAERN COc1cc(NC2CC[NH+](Cc3cccnc3)CC2)ccc1Cl ZINC000193846359 1028471074 /nfs/dbraw/zinc/47/10/74/1028471074.db2.gz MZRFLVMXQWKHJM-UHFFFAOYSA-N 0 0 331.847 3.820 10 0 EHAERN O=C(NCCCCO)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000194270015 1028504182 /nfs/dbraw/zinc/50/41/82/1028504182.db2.gz RJPUVXSWOQXHAD-HNNXBMFYSA-N 0 0 338.860 3.563 10 0 EHAERN O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1CCCc2cccnc21 ZINC000194482990 1028517730 /nfs/dbraw/zinc/51/77/30/1028517730.db2.gz CJJMDXFSZBKRNI-QGZVFWFLSA-N 0 0 346.390 3.723 10 0 EHAERN O=C(Nc1ccc(-c2ccccc2)nn1)[C@H]1CCCc2cccnc21 ZINC000194621604 1028527408 /nfs/dbraw/zinc/52/74/08/1028527408.db2.gz RELQDKBYAXQMSX-INIZCTEOSA-N 0 0 330.391 3.597 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CCCc3cccnc32)cnc1Br ZINC000194850125 1028554239 /nfs/dbraw/zinc/55/42/39/1028554239.db2.gz UPXNBOJYTGLBSK-CYBMUJFWSA-N 0 0 346.228 3.606 10 0 EHAERN Fc1ccc(-c2noc(CN3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000195355316 1028599342 /nfs/dbraw/zinc/59/93/42/1028599342.db2.gz ITHHOPPWIGLTLL-ZDUSSCGKSA-N 0 0 344.415 3.712 10 0 EHAERN O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1nccs1 ZINC000074909194 1028638639 /nfs/dbraw/zinc/63/86/39/1028638639.db2.gz RFTODOHMOIMAIT-GFCCVEGCSA-N 0 0 337.242 3.883 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@@H](O)c3ccccc3)C2)cc1 ZINC000246514065 1028643133 /nfs/dbraw/zinc/64/31/33/1028643133.db2.gz UIHOKDHMPYSZMA-QKYXUNIQSA-N 0 0 339.435 3.523 10 0 EHAERN COC(=O)[C@@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000075649023 1028732679 /nfs/dbraw/zinc/73/26/79/1028732679.db2.gz MQANYUPYQVWOGM-AWEZNQCLSA-N 0 0 334.803 3.523 10 0 EHAERN C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000247124245 1028749039 /nfs/dbraw/zinc/74/90/39/1028749039.db2.gz WVLFBPGBTTTYMK-VDHUWJSZSA-N 0 0 328.456 3.737 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@H]2CSCCS2)C1 ZINC000247224094 1028760357 /nfs/dbraw/zinc/76/03/57/1028760357.db2.gz RLSPNMDQNGIAMM-BYCMXARLSA-N 0 0 325.474 3.584 10 0 EHAERN C[C@H](O)c1ccc(CNC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000247237509 1028762929 /nfs/dbraw/zinc/76/29/29/1028762929.db2.gz OKRDESJBFYXKDN-FTRWYGJKSA-N 0 0 338.451 3.828 10 0 EHAERN Cc1c(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1C(F)(F)F ZINC000247315388 1028777006 /nfs/dbraw/zinc/77/70/06/1028777006.db2.gz ILDQNWHPRDRYIG-ZLKJLUDKSA-N 0 0 342.361 3.949 10 0 EHAERN O=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247392993 1028784588 /nfs/dbraw/zinc/78/45/88/1028784588.db2.gz LRMVSALQVGWBAH-BFHYXJOUSA-N 0 0 344.333 3.664 10 0 EHAERN O=C(Nc1ccc(OC2CCC2)c(F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247434582 1028787189 /nfs/dbraw/zinc/78/71/89/1028787189.db2.gz NXSCPKPDYNPGPW-UAGQMJEPSA-N 0 0 348.418 3.836 10 0 EHAERN O=C(CSc1ccccc1Cl)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247663594 1028807583 /nfs/dbraw/zinc/80/75/83/1028807583.db2.gz XTTSPOQNLXNBRD-IACUBPJLSA-N 0 0 325.861 3.506 10 0 EHAERN Cc1nc(-c2cccc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2)cs1 ZINC000247637447 1028807854 /nfs/dbraw/zinc/80/78/54/1028807854.db2.gz VHLWJWGFQBRJAF-JZXOWHBKSA-N 0 0 342.464 3.806 10 0 EHAERN CCOCc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153868292 1028847157 /nfs/dbraw/zinc/84/71/57/1028847157.db2.gz PNKCRGXILMOFKO-GOSISDBHSA-N 0 0 344.411 3.730 10 0 EHAERN COC(=O)Nc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000248374241 1028874933 /nfs/dbraw/zinc/87/49/33/1028874933.db2.gz OWRYQFKJSIFPLD-APHBMKBZSA-N 0 0 334.391 3.764 10 0 EHAERN Cc1nc([C@@H]2CCCN2C[C@H]2CN(c3ccccc3)C(=O)O2)cs1 ZINC000249476106 1029003792 /nfs/dbraw/zinc/00/37/92/1029003792.db2.gz UFCGJITYFVRWEP-RDJZCZTQSA-N 0 0 343.452 3.614 10 0 EHAERN CCOc1ncccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078188412 1029239294 /nfs/dbraw/zinc/23/92/94/1029239294.db2.gz LBOYIJCYLNCBEP-GDBMZVCRSA-N 0 0 340.423 3.507 10 0 EHAERN CCc1noc(C)c1NC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155618134 1029589662 /nfs/dbraw/zinc/58/96/62/1029589662.db2.gz JKQKDEPEMZURIM-WFASDCNBSA-N 0 0 343.427 3.964 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000155659787 1029616742 /nfs/dbraw/zinc/61/67/42/1029616742.db2.gz SOWAIDVLCIPKAW-HOCLYGCPSA-N 0 0 333.501 3.691 10 0 EHAERN CCc1cccc(C)c1NC(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000246083555 1029636896 /nfs/dbraw/zinc/63/68/96/1029636896.db2.gz FVELRUYKZRTICK-IAGOWNOFSA-N 0 0 332.513 3.856 10 0 EHAERN CN(C(=O)NC1CCN(c2cccs2)CC1)C(C1CC1)C1CC1 ZINC000155771345 1029647608 /nfs/dbraw/zinc/64/76/08/1029647608.db2.gz PEXCUYJEADUGFA-UHFFFAOYSA-N 0 0 333.501 3.547 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CC(C)(C)c3ccccc32)cn1 ZINC000152658132 1029771247 /nfs/dbraw/zinc/77/12/47/1029771247.db2.gz QIEPGOFGYHNNJX-ZWKOTPCHSA-N 0 0 338.455 3.689 10 0 EHAERN COc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114808233 1029834391 /nfs/dbraw/zinc/83/43/91/1029834391.db2.gz SEZOOUDIOHFUPG-LLVKDONJSA-N 0 0 335.404 3.702 10 0 EHAERN C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(n2cncn2)CC1 ZINC000156650101 1029915947 /nfs/dbraw/zinc/91/59/47/1029915947.db2.gz OMCSLNFVYBYSTG-NSHDSACASA-N 0 0 325.243 3.983 10 0 EHAERN Cc1csc(C2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)n1 ZINC000156741422 1029988144 /nfs/dbraw/zinc/98/81/44/1029988144.db2.gz CCSIPHIHDMOIRJ-OAHLLOKOSA-N 0 0 343.496 3.508 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)no1 ZINC000246778955 1030126346 /nfs/dbraw/zinc/12/63/46/1030126346.db2.gz ZGLJOYAYBBQSML-KBXIAJHMSA-N 0 0 334.464 3.864 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000252801670 1030448420 /nfs/dbraw/zinc/44/84/20/1030448420.db2.gz HAISATGITUASLQ-DZOHQFGASA-N 0 0 328.456 3.703 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)Nc1cccc(-c2ncon2)c1 ZINC000170632488 1030690346 /nfs/dbraw/zinc/69/03/46/1030690346.db2.gz BKJCKVXKGNAJFW-MDZDMXLPSA-N 0 0 342.358 3.937 10 0 EHAERN C[C@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccccn1 ZINC000171003272 1030711543 /nfs/dbraw/zinc/71/15/43/1030711543.db2.gz ZJEZGXPRDWTLNV-AWEZNQCLSA-N 0 0 342.418 3.568 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1cccnc1 ZINC000171004385 1030711715 /nfs/dbraw/zinc/71/17/15/1030711715.db2.gz ZYVBXZMFEVOYRB-CQSZACIVSA-N 0 0 342.418 3.568 10 0 EHAERN O=C(CCC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000171645320 1030771705 /nfs/dbraw/zinc/77/17/05/1030771705.db2.gz GMECXNKYMFRBSX-HNNXBMFYSA-N 0 0 328.437 3.512 10 0 EHAERN Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171644755 1030772169 /nfs/dbraw/zinc/77/21/69/1030772169.db2.gz RIYTXRKCVAEYPX-MRXNPFEDSA-N 0 0 339.464 3.812 10 0 EHAERN O=C(c1ccc2ncsc2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000171723050 1030811484 /nfs/dbraw/zinc/81/14/84/1030811484.db2.gz WJUBQEACKNDQMD-GFCCVEGCSA-N 0 0 329.450 3.773 10 0 EHAERN C[C@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccncc1 ZINC000171732018 1030812135 /nfs/dbraw/zinc/81/21/35/1030812135.db2.gz YJDDWTPLZGFJCX-BBRMVZONSA-N 0 0 338.436 3.688 10 0 EHAERN O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@H](c2nccs2)C1 ZINC000171721424 1030813003 /nfs/dbraw/zinc/81/30/03/1030813003.db2.gz OUDNOQUXSRKKJO-QMMMGPOBSA-N 0 0 344.333 3.719 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000172052411 1030868975 /nfs/dbraw/zinc/86/89/75/1030868975.db2.gz ZGFLZWGMKIQEAF-IFXJQAMLSA-N 0 0 334.375 3.773 10 0 EHAERN CC(C)C[C@H](C)S(=O)(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000172414424 1030945065 /nfs/dbraw/zinc/94/50/65/1030945065.db2.gz KMLDUAKLCLHSFR-MAUKXSAKSA-N 0 0 332.469 3.525 10 0 EHAERN Cc1cccnc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000173224152 1031061076 /nfs/dbraw/zinc/06/10/76/1031061076.db2.gz FKSVVXHLJULGQI-UHFFFAOYSA-N 0 0 328.391 3.638 10 0 EHAERN CCC(CC)c1cc(CNC(=O)[C@@H]2Oc3ccccc3[C@H]2C)on1 ZINC000173641500 1031123983 /nfs/dbraw/zinc/12/39/83/1031123983.db2.gz QPNZEECXCPCQMF-KZULUSFZSA-N 0 0 328.412 3.759 10 0 EHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000173915293 1031132070 /nfs/dbraw/zinc/13/20/70/1031132070.db2.gz STAFHNJHEXAKQW-QEEYODRMSA-N 0 0 347.418 3.614 10 0 EHAERN C[C@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)[C@@H]1c1ccccc1 ZINC000173979239 1031141302 /nfs/dbraw/zinc/14/13/02/1031141302.db2.gz QAACJDSACCWJHB-KKSFZXQISA-N 0 0 348.446 3.642 10 0 EHAERN O=C(c1cccc(F)c1F)N1CCC(Nc2ccccc2F)CC1 ZINC000174066415 1031160484 /nfs/dbraw/zinc/16/04/84/1031160484.db2.gz VGRLAOAROOOVMS-UHFFFAOYSA-N 0 0 334.341 3.821 10 0 EHAERN Cc1nc(CC(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cs1 ZINC000174705202 1031248800 /nfs/dbraw/zinc/24/88/00/1031248800.db2.gz WZBCABZCXXVHLP-KSSFIOAISA-N 0 0 344.480 3.599 10 0 EHAERN O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCCn2ccnc21 ZINC000174954097 1031260564 /nfs/dbraw/zinc/26/05/64/1031260564.db2.gz SZRLEHUXPTYUOA-VQTJNVASSA-N 0 0 345.446 3.861 10 0 EHAERN CSc1ccsc1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670402 1031266146 /nfs/dbraw/zinc/26/61/46/1031266146.db2.gz QJZCATXOXWSJRY-UHFFFAOYSA-N 0 0 347.509 3.572 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000175914044 1031368239 /nfs/dbraw/zinc/36/82/39/1031368239.db2.gz RXSLCXNMUUVEFD-YJYMSZOUSA-N 0 0 347.374 3.772 10 0 EHAERN Cc1nc(CCCC(=O)NC[C@@H]2CCN(C)c3ccccc32)cs1 ZINC000175742764 1031372723 /nfs/dbraw/zinc/37/27/23/1031372723.db2.gz HUADPFVCZMVLAA-HNNXBMFYSA-N 0 0 343.496 3.514 10 0 EHAERN C[S@](=O)c1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000175805543 1031382766 /nfs/dbraw/zinc/38/27/66/1031382766.db2.gz CBIVSPKHLORQLO-DEOSSOPVSA-N 0 0 340.448 3.745 10 0 EHAERN CC(C)(C)[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1cccs1 ZINC000177423518 1031540027 /nfs/dbraw/zinc/54/00/27/1031540027.db2.gz XIOVSEOJFHGAQS-HOCLYGCPSA-N 0 0 346.500 3.906 10 0 EHAERN Cc1ccc(CCCCC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177804562 1031572563 /nfs/dbraw/zinc/57/25/63/1031572563.db2.gz IQAOASUEUNSYNG-IBGZPJMESA-N 0 0 325.456 3.596 10 0 EHAERN CCCOc1ccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000178177983 1031637922 /nfs/dbraw/zinc/63/79/22/1031637922.db2.gz SLDANZVRKFMGEV-JWUWVAEESA-N 0 0 329.440 3.516 10 0 EHAERN Cc1ccc([C@@H]2CN(CC(=O)Nc3cccc(Cl)c3C)CCO2)o1 ZINC000158826733 1031667093 /nfs/dbraw/zinc/66/70/93/1031667093.db2.gz VTYFPXFGGGAATF-KRWDZBQOSA-N 0 0 348.830 3.562 10 0 EHAERN Nc1cccc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000178852199 1031736639 /nfs/dbraw/zinc/73/66/39/1031736639.db2.gz FTKNTXIUTCPPGC-SFHVURJKSA-N 0 0 337.810 3.837 10 0 EHAERN CSc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000179174410 1031754448 /nfs/dbraw/zinc/75/44/48/1031754448.db2.gz ZPKMAWUPLRKLGB-QGZVFWFLSA-N 0 0 346.452 3.593 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000179251985 1031761990 /nfs/dbraw/zinc/76/19/90/1031761990.db2.gz LCNNQYRYCHCBEC-AWEZNQCLSA-N 0 0 341.455 3.661 10 0 EHAERN CC[C@@H](NC(=O)Nc1c[nH]nc1-c1ccccc1)c1nccs1 ZINC000179490351 1031779666 /nfs/dbraw/zinc/77/96/66/1031779666.db2.gz USYCFYBXWLKYOU-GFCCVEGCSA-N 0 0 327.413 3.806 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)CCO2)o1 ZINC000179503048 1031782777 /nfs/dbraw/zinc/78/27/77/1031782777.db2.gz IAYOJHDSTDXGSO-SFHVURJKSA-N 0 0 342.370 3.956 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000179623144 1031792520 /nfs/dbraw/zinc/79/25/20/1031792520.db2.gz SRMVMVBWZMHHFG-IBGZPJMESA-N 0 0 325.383 3.565 10 0 EHAERN COc1cc(CN2CCO[C@H](c3ccccc3Cl)C2)ccc1O ZINC000180076734 1031837892 /nfs/dbraw/zinc/83/78/92/1031837892.db2.gz AVKQQZXFYJAIGD-SFHVURJKSA-N 0 0 333.815 3.628 10 0 EHAERN O=C(CSC[C@H]1CCCCO1)N1CC=C(c2cccs2)CC1 ZINC000117721932 1031839787 /nfs/dbraw/zinc/83/97/87/1031839787.db2.gz PWPGKJPSFFCRAV-OAHLLOKOSA-N 0 0 337.510 3.666 10 0 EHAERN COc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1OC ZINC000117724494 1031843395 /nfs/dbraw/zinc/84/33/95/1031843395.db2.gz SPBUFSOLXNXNQX-UHFFFAOYSA-N 0 0 329.421 3.695 10 0 EHAERN CCCN(CCC)C(=O)CCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117856343 1031910728 /nfs/dbraw/zinc/91/07/28/1031910728.db2.gz QKBAKYIYSVELHK-UHFFFAOYSA-N 0 0 348.512 3.793 10 0 EHAERN COc1cccc(OC)c1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117989797 1031990370 /nfs/dbraw/zinc/99/03/70/1031990370.db2.gz WZZIORSADOMTDX-UHFFFAOYSA-N 0 0 329.421 3.695 10 0 EHAERN CC[C@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccc(OC)cc1 ZINC000181519069 1032000584 /nfs/dbraw/zinc/00/05/84/1032000584.db2.gz INBUNBBMPQIVIG-PKOBYXMFSA-N 0 0 343.423 3.690 10 0 EHAERN CCO[C@@H]1C[C@@H](N[C@H](c2nnc(C)[nH]2)c2ccccc2)C12CCCC2 ZINC000181672116 1032018029 /nfs/dbraw/zinc/01/80/29/1032018029.db2.gz JYLOHQKLLKVWOK-KURKYZTESA-N 0 0 340.471 3.530 10 0 EHAERN CCc1cc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)ccc1C ZINC000181975053 1032050536 /nfs/dbraw/zinc/05/05/36/1032050536.db2.gz XKVZAEBHGLPSJW-GOSISDBHSA-N 0 0 325.412 3.638 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccnc(C)c3)C2)cc1 ZINC000120146937 1033395391 /nfs/dbraw/zinc/39/53/91/1033395391.db2.gz LXPZLZGDOFDREH-GDBMZVCRSA-N 0 0 325.412 3.809 10 0 EHAERN C/C=C\c1ccc(OC(=O)[C@H](C)N(C)CC(F)(F)F)c(OC)c1 ZINC000588616805 1033412942 /nfs/dbraw/zinc/41/29/42/1033412942.db2.gz WAMVCNNRAKEKPM-GZTOBOFZSA-N 0 0 331.334 3.516 10 0 EHAERN C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cc2ccccc2o1 ZINC000246972595 1033565710 /nfs/dbraw/zinc/56/57/10/1033565710.db2.gz JPIJJAZVDBVFOF-DKICVRJWSA-N 0 0 327.424 3.690 10 0 EHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000088755703 1034224650 /nfs/dbraw/zinc/22/46/50/1034224650.db2.gz MVPFYGBOAQDBKI-HUUCEWRRSA-N 0 0 347.507 3.533 10 0 EHAERN O=C(Cc1cc(F)c(F)cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000121089714 1034374331 /nfs/dbraw/zinc/37/43/31/1034374331.db2.gz GNWRPZWMQYTRQW-SNVBAGLBSA-N 0 0 340.370 3.509 10 0 EHAERN O=C(Cc1ccc(F)cc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000121090563 1034375901 /nfs/dbraw/zinc/37/59/01/1034375901.db2.gz AMTWCFOBFKJYTA-GFCCVEGCSA-N 0 0 338.835 3.884 10 0 EHAERN Cc1csc([C@H]2CCCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C2)n1 ZINC000173585958 1034535493 /nfs/dbraw/zinc/53/54/93/1034535493.db2.gz WTKUZQDYNYIRTN-QGPPMGRFSA-N 0 0 346.496 3.553 10 0 EHAERN Cc1oc2ccccc2c1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000185908694 1035537120 /nfs/dbraw/zinc/53/71/20/1035537120.db2.gz BZOPKOMWWSNGQT-UHFFFAOYSA-N 0 0 337.423 3.570 10 0 EHAERN Cc1noc(-c2cccnc2NCc2ncc(-c3ccccc3)cn2)n1 ZINC000185998753 1035561867 /nfs/dbraw/zinc/56/18/67/1035561867.db2.gz DUEQFUIWBNKKLV-UHFFFAOYSA-N 0 0 344.378 3.509 10 0 EHAERN CCC1(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CCCC1 ZINC000186676428 1035685385 /nfs/dbraw/zinc/68/53/85/1035685385.db2.gz JCZJVERRSZXJGK-UHFFFAOYSA-N 0 0 330.432 3.756 10 0 EHAERN COc1cc(C)c(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1F ZINC000186856143 1035731429 /nfs/dbraw/zinc/73/14/29/1035731429.db2.gz FPEBJXZNGHBFTL-KRWDZBQOSA-N 0 0 348.374 3.650 10 0 EHAERN Cc1ncsc1/C=C/C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000187088657 1035770758 /nfs/dbraw/zinc/77/07/58/1035770758.db2.gz YPQKENIVXGCRHE-VOTSOKGWSA-N 0 0 328.412 3.920 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(C)cc2C)cs1 ZINC000187096897 1035774046 /nfs/dbraw/zinc/77/40/46/1035774046.db2.gz NLELEQVTFVXSRN-INIZCTEOSA-N 0 0 330.453 3.811 10 0 EHAERN C[C@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1ccncc1 ZINC000187199863 1035782000 /nfs/dbraw/zinc/78/20/00/1035782000.db2.gz RCWQRBMOKDXYOT-LBPRGKRZSA-N 0 0 332.363 3.709 10 0 EHAERN COC(=O)c1cnc(/C=C/c2ccc(Br)s2)s1 ZINC000102598921 1035815315 /nfs/dbraw/zinc/81/53/15/1035815315.db2.gz IVNLWLXZXDEAPW-HWKANZROSA-N 0 0 330.228 3.924 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC[C@@H]1CCCn2ccnc21 ZINC000332681197 1035979728 /nfs/dbraw/zinc/97/97/28/1035979728.db2.gz JAKXIUUXPVZYMV-TWMKSMIVSA-N 0 0 332.492 3.521 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000189086096 1036015021 /nfs/dbraw/zinc/01/50/21/1036015021.db2.gz TUWCPWPOTYTPJN-INIZCTEOSA-N 0 0 344.480 3.879 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000189585520 1036090980 /nfs/dbraw/zinc/09/09/80/1036090980.db2.gz ZDSSPYBLYVJLMM-AWEZNQCLSA-N 0 0 341.440 3.707 10 0 EHAERN Cc1nn(C)cc1NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000189727792 1036134793 /nfs/dbraw/zinc/13/47/93/1036134793.db2.gz RIDXEXOUCXBGSV-CYBMUJFWSA-N 0 0 335.411 3.673 10 0 EHAERN COc1ccc(F)cc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189814367 1036149218 /nfs/dbraw/zinc/14/92/18/1036149218.db2.gz SCUWYYNETPULJG-UHFFFAOYSA-N 0 0 341.382 3.543 10 0 EHAERN O=C(Nc1ccncc1F)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189827700 1036153550 /nfs/dbraw/zinc/15/35/50/1036153550.db2.gz ATFGPHDPWTWGOD-LLVKDONJSA-N 0 0 335.329 3.910 10 0 EHAERN C[C@@]1(C(=O)N2CC3(CCOCC3)c3ccccc32)CC1(Cl)Cl ZINC000189852634 1036156979 /nfs/dbraw/zinc/15/69/79/1036156979.db2.gz BWNVBHOCSZKENC-HNNXBMFYSA-N 0 0 340.250 3.665 10 0 EHAERN O=C(Nc1ccc(F)cn1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189873720 1036158117 /nfs/dbraw/zinc/15/81/17/1036158117.db2.gz ZYMGZQWUOMWKBC-LLVKDONJSA-N 0 0 335.329 3.910 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1nc(C(C)C)ncc1Cl ZINC000189937900 1036163897 /nfs/dbraw/zinc/16/38/97/1036163897.db2.gz MLNFHPAWJPRYRN-AWEZNQCLSA-N 0 0 345.830 3.815 10 0 EHAERN COc1cccc(Cl)c1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189943414 1036164299 /nfs/dbraw/zinc/16/42/99/1036164299.db2.gz AJXHKILHGUFPKC-AWEZNQCLSA-N 0 0 331.799 3.911 10 0 EHAERN O=C(Nc1cccc(SC(F)F)c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190111436 1036194260 /nfs/dbraw/zinc/19/42/60/1036194260.db2.gz JBSVVKXDEQVPTO-JHJVBQTASA-N 0 0 328.384 3.690 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000190149902 1036196266 /nfs/dbraw/zinc/19/62/66/1036196266.db2.gz KDPZRTGLWQJSCS-NVXWUHKLSA-N 0 0 341.411 3.703 10 0 EHAERN Cc1cc2cc(NS(=O)(=O)c3cccc4ncccc43)ccc2[nH]1 ZINC000102319853 1036231419 /nfs/dbraw/zinc/23/14/19/1036231419.db2.gz JINPYJCSTWNCDC-UHFFFAOYSA-N 0 0 337.404 3.825 10 0 EHAERN CN(CC1CC(O)C1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000190494377 1036246965 /nfs/dbraw/zinc/24/69/65/1036246965.db2.gz ATOSFVVHGDDEFA-UHFFFAOYSA-N 0 0 344.499 3.691 10 0 EHAERN COCCC(C)(C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191211256 1036350627 /nfs/dbraw/zinc/35/06/27/1036350627.db2.gz QRRGWIXSGLFDTG-ZDUSSCGKSA-N 0 0 325.399 3.734 10 0 EHAERN CC(C)(C)n1cc(CN2CC3(CCOCC3)c3ccccc32)cn1 ZINC000191620136 1036398856 /nfs/dbraw/zinc/39/88/56/1036398856.db2.gz AHBINUJFQSXQLK-UHFFFAOYSA-N 0 0 325.456 3.707 10 0 EHAERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCC2(O)CCCCCC2)cc1 ZINC000332882483 1036402366 /nfs/dbraw/zinc/40/23/66/1036402366.db2.gz YOKJONYNNUMFGD-RBUKOAKNSA-N 0 0 345.483 3.664 10 0 EHAERN O=C(c1cc2sccc2[nH]1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000192208855 1036507267 /nfs/dbraw/zinc/50/72/67/1036507267.db2.gz CTSYVOJTYRQDBF-CYBMUJFWSA-N 0 0 330.384 3.662 10 0 EHAERN C[C@H](NC(=O)N1CCC(O)(c2ccccc2Cl)CC1)C(C)(C)C ZINC000192445242 1036508709 /nfs/dbraw/zinc/50/87/09/1036508709.db2.gz TUOYGEMMZPSYDL-ZDUSSCGKSA-N 0 0 338.879 3.768 10 0 EHAERN Cc1cccnc1C(F)(F)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000192839111 1036557012 /nfs/dbraw/zinc/55/70/12/1036557012.db2.gz SOFOLHYOMQOBPA-UHFFFAOYSA-N 0 0 346.352 3.937 10 0 EHAERN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000130133966 1036575972 /nfs/dbraw/zinc/57/59/72/1036575972.db2.gz NYVUZZWEJHLNQF-NOCIGQNYSA-N 0 0 348.874 3.533 10 0 EHAERN c1ccc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000102928905 1036767821 /nfs/dbraw/zinc/76/78/21/1036767821.db2.gz WFJLCPYFIRTGBI-MRXNPFEDSA-N 0 0 349.390 3.802 10 0 EHAERN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000102987263 1036819281 /nfs/dbraw/zinc/81/92/81/1036819281.db2.gz HPXBBCCBYNQJBQ-CABCVRRESA-N 0 0 339.888 3.775 10 0 EHAERN Cc1nc2cc(NC(=O)c3cccnc3OCC(C)C)ccc2o1 ZINC000103065225 1036831726 /nfs/dbraw/zinc/83/17/26/1036831726.db2.gz CFCVTPIUXCWYOC-UHFFFAOYSA-N 0 0 325.368 3.818 10 0 EHAERN COCc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)o1 ZINC000103103533 1036838170 /nfs/dbraw/zinc/83/81/70/1036838170.db2.gz AYSUTQCGAKPQJT-UHFFFAOYSA-N 0 0 331.759 3.517 10 0 EHAERN Cc1csc(C2CCN(S(=O)(=O)CC3CCCCC3)CC2)n1 ZINC000103160435 1036868844 /nfs/dbraw/zinc/86/88/44/1036868844.db2.gz PRRUXBFAKHOWHH-UHFFFAOYSA-N 0 0 342.530 3.541 10 0 EHAERN C[C@@H]1CN(c2ccc(CNC(=O)CCCC(C)(C)C)cn2)C[C@@H](C)O1 ZINC000103380065 1036891194 /nfs/dbraw/zinc/89/11/94/1036891194.db2.gz YIGILMPIGLRQPT-HZPDHXFCSA-N 0 0 347.503 3.528 10 0 EHAERN C[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)Sc1ccccc1 ZINC000132956726 1036930437 /nfs/dbraw/zinc/93/04/37/1036930437.db2.gz FZWNHUHZOMKIJT-GPMSIDNRSA-N 0 0 348.512 3.504 10 0 EHAERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000103974720 1036957245 /nfs/dbraw/zinc/95/72/45/1036957245.db2.gz AGBKAOLXXAWKIH-CYBMUJFWSA-N 0 0 348.368 3.623 10 0 EHAERN CO[C@@H](C)c1cccc(NC(=O)C(=O)NCCCCC(C)(C)C)c1 ZINC000105540336 1037209091 /nfs/dbraw/zinc/20/90/91/1037209091.db2.gz WUCXKOMOJPKLLS-AWEZNQCLSA-N 0 0 334.460 3.665 10 0 EHAERN c1cc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)co1 ZINC000105571997 1037212644 /nfs/dbraw/zinc/21/26/44/1037212644.db2.gz YWKWWJQWHBZAAM-UHFFFAOYSA-N 0 0 326.337 3.672 10 0 EHAERN O=C(NCCCCOCc1ccccc1)NCc1cc(F)ccc1F ZINC000104793881 1037397931 /nfs/dbraw/zinc/39/79/31/1037397931.db2.gz AIYIYHKRQOVTAT-UHFFFAOYSA-N 0 0 348.393 3.761 10 0 EHAERN Cc1nnc([C@@H](NC(=O)C[C@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000103281998 1037587809 /nfs/dbraw/zinc/58/78/09/1037587809.db2.gz VEQGDFXVZUPYTM-LIRRHRJNSA-N 0 0 334.423 3.513 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CC[C@H](Nc2ccccc2)C1 ZINC000103953165 1037591560 /nfs/dbraw/zinc/59/15/60/1037591560.db2.gz SYCNBIFJCRIAFX-SGWGQVFISA-N 0 0 343.430 3.961 10 0 EHAERN CCc1nnc(NC(=O)N[C@@H](c2ccco2)c2ccccc2)s1 ZINC000104976932 1037598757 /nfs/dbraw/zinc/59/87/57/1037598757.db2.gz GWORXELLJSODIA-CQSZACIVSA-N 0 0 328.397 3.605 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1nnc(-c2ccccc2)o1 ZINC000105403879 1037601378 /nfs/dbraw/zinc/60/13/78/1037601378.db2.gz MLLLDPUCFMBORT-CYBMUJFWSA-N 0 0 348.406 3.819 10 0 EHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000109053214 1037658795 /nfs/dbraw/zinc/65/87/95/1037658795.db2.gz VSZPFHNBKXPLNJ-LBPRGKRZSA-N 0 0 338.379 3.764 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c2ccccc21 ZINC000153199904 1037705417 /nfs/dbraw/zinc/70/54/17/1037705417.db2.gz UPEJRQRBSWDVMU-NWTFUFRBSA-N 0 0 336.435 3.583 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000112722855 1037769746 /nfs/dbraw/zinc/76/97/46/1037769746.db2.gz VBDHWQNMWBDWLM-ZFWWWQNUSA-N 0 0 327.428 3.905 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114804268 1037810760 /nfs/dbraw/zinc/81/07/60/1037810760.db2.gz NYIQNWIESMEQDJ-CYBMUJFWSA-N 0 0 331.441 3.953 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000114968057 1037817729 /nfs/dbraw/zinc/81/77/29/1037817729.db2.gz PFRDANVKLHAEOQ-CYBMUJFWSA-N 0 0 326.444 3.641 10 0 EHAERN COc1ccc([C@H](C)NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1F ZINC000117582583 1037854759 /nfs/dbraw/zinc/85/47/59/1037854759.db2.gz ICCXYUUQWGDJTB-PZROIBLQSA-N 0 0 329.371 3.576 10 0 EHAERN COCCCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117626938 1037858296 /nfs/dbraw/zinc/85/82/96/1037858296.db2.gz SBVGZGQEVVYJRE-IFXJQAMLSA-N 0 0 341.407 3.605 10 0 EHAERN C[C@@H](NC(=O)CN1CC=C(c2cccs2)CC1)c1cccs1 ZINC000117896779 1037863209 /nfs/dbraw/zinc/86/32/09/1037863209.db2.gz PHFVDGVCCJGLIS-CYBMUJFWSA-N 0 0 332.494 3.776 10 0 EHAERN Fc1ccc(COC2CCN(Cc3cn4ccsc4n3)CC2)cc1 ZINC000179741645 1037909585 /nfs/dbraw/zinc/90/95/85/1037909585.db2.gz BBEFTXLMBUVPOP-UHFFFAOYSA-N 0 0 345.443 3.716 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)Cc3ccc(C)s3)CCO2)o1 ZINC000119961755 1037916542 /nfs/dbraw/zinc/91/65/42/1037916542.db2.gz AFAPRNIWFNDBCE-SJCJKPOMSA-N 0 0 348.468 3.672 10 0 EHAERN CC[C@@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccc(F)cc1 ZINC000123882794 1038095202 /nfs/dbraw/zinc/09/52/02/1038095202.db2.gz RADYRSDKQWJBLU-AEFFLSMTSA-N 0 0 331.387 3.821 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N1CC[C@@]2(CCOC2)C1)c1cccc(F)c1 ZINC000123935142 1038105395 /nfs/dbraw/zinc/10/53/95/1038105395.db2.gz JPJGSAXLLJHVPH-VQIMIIECSA-N 0 0 334.435 3.735 10 0 EHAERN CC1(C)[C@H](NC(=O)NCc2cc(Cl)sc2Cl)[C@H]2CCO[C@@H]21 ZINC000408084443 1039055838 /nfs/dbraw/zinc/05/58/38/1039055838.db2.gz PTYJEWMPRPZCES-IEBDPFPHSA-N 0 0 349.283 3.668 10 0 EHAERN CC(=O)N(Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1)C1CC1 ZINC000330225394 1039088026 /nfs/dbraw/zinc/08/80/26/1039088026.db2.gz BCMLVKHKHNIUKX-VQIMIIECSA-N 0 0 341.455 3.604 10 0 EHAERN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332686495 1040103946 /nfs/dbraw/zinc/10/39/46/1040103946.db2.gz NYVUZZWEJHLNQF-RMRDIRSESA-N 0 0 348.874 3.533 10 0 EHAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151508821 1040195100 /nfs/dbraw/zinc/19/51/00/1040195100.db2.gz JZMDGTQDQYKXKL-IFXJQAMLSA-N 0 0 346.858 3.517 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H](C)C1 ZINC000155402377 1040401698 /nfs/dbraw/zinc/40/16/98/1040401698.db2.gz NUNOTQDTLDZDJG-LSDHHAIUSA-N 0 0 329.444 3.713 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1ccccc1Cl ZINC000330243512 1040692816 /nfs/dbraw/zinc/69/28/16/1040692816.db2.gz JURBTBWDXNHZLW-DZGCQCFKSA-N 0 0 344.846 3.662 10 0 EHAERN C[C@@H](NC(=O)N(C)C1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000043481912 1041576569 /nfs/dbraw/zinc/57/65/69/1041576569.db2.gz RDJMUYAVEZRYGR-CQSZACIVSA-N 0 0 332.444 3.883 10 0 EHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000106225601 1041631395 /nfs/dbraw/zinc/63/13/95/1041631395.db2.gz PEFXVDSUEXDQFS-WMLDXEAASA-N 0 0 346.862 3.509 10 0 EHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000106225413 1041631502 /nfs/dbraw/zinc/63/15/02/1041631502.db2.gz OSJSAIJZZDBQAG-WMLDXEAASA-N 0 0 346.862 3.509 10 0 EHAERN CCCN1c2ccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)cc2CCC1=O ZINC000330282558 1042805977 /nfs/dbraw/zinc/80/59/77/1042805977.db2.gz VLNGECHCFYZSFP-WMLDXEAASA-N 0 0 341.455 3.782 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@@H](C2CCOCC2)C1 ZINC000408253985 1042869679 /nfs/dbraw/zinc/86/96/79/1042869679.db2.gz BETGCVYGGQAOHQ-LLVKDONJSA-N 0 0 344.242 3.669 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000408340890 1043354309 /nfs/dbraw/zinc/35/43/09/1043354309.db2.gz PPTARMAXWCTUQS-LQENNFSXSA-N 0 0 343.467 3.660 10 0 EHAERN O=C(c1cc(-c2ccccc2)ns1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408350574 1043599017 /nfs/dbraw/zinc/59/90/17/1043599017.db2.gz SKVHNLJWARXNBU-KXBFYZLASA-N 0 0 342.464 3.577 10 0 EHAERN C[C@@H](CNC(=O)N(C)C[C@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000102905671 1127780186 /nfs/dbraw/zinc/78/01/86/1127780186.db2.gz IFIKRAHQAQYZKB-NWDGAFQWSA-N 0 0 345.270 3.917 10 0 EHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1sccc1-c1ccccc1 ZINC000104908764 1127902910 /nfs/dbraw/zinc/90/29/10/1127902910.db2.gz QDFRPDXMNUECLD-KRWDZBQOSA-N 0 0 337.444 3.749 10 0 EHAERN Cc1[nH]nc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1C ZINC000268940548 1128729464 /nfs/dbraw/zinc/72/94/64/1128729464.db2.gz PETWQCKJGZIUBB-OAHLLOKOSA-N 0 0 325.412 3.593 10 0 EHAERN Cc1[nH]nc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1C ZINC000268940539 1128729614 /nfs/dbraw/zinc/72/96/14/1128729614.db2.gz PETWQCKJGZIUBB-HNNXBMFYSA-N 0 0 325.412 3.593 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCc1ccc(Cl)cc1 ZINC000105072683 1120314658 /nfs/dbraw/zinc/31/46/58/1120314658.db2.gz NGLFBTGFIRDWCU-UHFFFAOYSA-N 0 0 345.874 3.942 10 0 EHAERN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCc4cc(C)ccc43)C2)[nH]n1 ZINC000282555504 1131091644 /nfs/dbraw/zinc/09/16/44/1131091644.db2.gz XNPZNTHVAVTNFU-SJLPKXTDSA-N 0 0 338.455 3.603 10 0 EHAERN CC[C@@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000103378917 1132852117 /nfs/dbraw/zinc/85/21/17/1132852117.db2.gz OIOBKUGBERJEGW-HNNXBMFYSA-N 0 0 325.408 3.878 10 0 EHAERN C/C=C/c1ccc(OCC(=O)OCc2cccnc2Cl)c(OC)c1 ZINC000103810797 1133552344 /nfs/dbraw/zinc/55/23/44/1133552344.db2.gz GNUNELUOWWDMPN-HWKANZROSA-N 0 0 347.798 3.899 10 0 EHAERN CCC[C@H](OC(=O)c1ccc(CS(C)(=O)=O)o1)c1ccccc1 ZINC000102134008 1135462816 /nfs/dbraw/zinc/46/28/16/1135462816.db2.gz ZDZWICBYNVHFEK-HNNXBMFYSA-N 0 0 336.409 3.522 10 0 EHAERN C[C@@H](CC(=O)Nc1cc(Cl)ccc1C(N)=O)c1ccccc1F ZINC000102603933 1135602124 /nfs/dbraw/zinc/60/21/24/1135602124.db2.gz PLFLDODQVKNXJL-JTQLQIEISA-N 0 0 334.778 3.710 10 0 EHAERN CCOCCOCC(=O)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000105766959 1135975973 /nfs/dbraw/zinc/97/59/73/1135975973.db2.gz RZSMEXZMJDSOIS-LJQANCHMSA-N 0 0 332.371 3.511 10 0 EHAERN COc1cccc(N2CC[C@H](CNC(=O)C3CCCCCC3)C2)c1 ZINC000102383874 1137872920 /nfs/dbraw/zinc/87/29/20/1137872920.db2.gz LLUMVWBUICAFFC-MRXNPFEDSA-N 0 0 330.472 3.608 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000102877516 1137874431 /nfs/dbraw/zinc/87/44/31/1137874431.db2.gz DYAKEMAAPJJBGE-FSPWUOQZSA-N 0 0 326.440 3.686 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)[C@H](C)c3ccncc3)c21 ZINC000103317579 1137875980 /nfs/dbraw/zinc/87/59/80/1137875980.db2.gz WDADZUNQFOPIDW-OAHLLOKOSA-N 0 0 336.439 3.816 10 0 EHAERN COc1ccc(C(C)(C)CNC(=O)Cc2ccc(C)s2)cc1OC ZINC000105989630 1137882490 /nfs/dbraw/zinc/88/24/90/1137882490.db2.gz AYQLLVYRLKXNPT-UHFFFAOYSA-N 0 0 347.480 3.710 10 0 EHAERN COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186882756 1140226538 /nfs/dbraw/zinc/22/65/38/1140226538.db2.gz WSJBFOGRTHNTMD-FZMZJTMJSA-N 0 0 325.478 3.502 10 0 EHAERN Cc1ccccc1S(=O)(=O)Cc1noc(-c2ccccc2Cl)n1 ZINC000052619378 214136765 /nfs/dbraw/zinc/13/67/65/214136765.db2.gz QJLJFWRWQAYKFE-UHFFFAOYSA-N 0 0 348.811 3.672 10 0 EHAERN Cc1nn(-c2nc(Cl)nc3ccccc32)c(C)c1Br ZINC000052811939 214147565 /nfs/dbraw/zinc/14/75/65/214147565.db2.gz YRVLGBYMDFCPBI-UHFFFAOYSA-N 0 0 337.608 3.848 10 0 EHAERN CC(=O)Nc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C)c1 ZINC000054625236 214247756 /nfs/dbraw/zinc/24/77/56/214247756.db2.gz NBXPSLGTKDMVJN-CYBMUJFWSA-N 0 0 347.418 3.886 10 0 EHAERN CCn1cc(CN(C)C(=O)c2cc3cc(C)ccc3nc2C)c(C)n1 ZINC000055414804 214322324 /nfs/dbraw/zinc/32/23/24/214322324.db2.gz HUXFORFRWBVEIO-UHFFFAOYSA-N 0 0 336.439 3.649 10 0 EHAERN O=C(Nc1ccccc1)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 ZINC000059711644 214622682 /nfs/dbraw/zinc/62/26/82/214622682.db2.gz FAFLPEQLNNCPRC-NRFANRHFSA-N 0 0 349.434 3.738 10 0 EHAERN O=C1c2ccccc2C(=O)N1N1[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004521451 210213891 /nfs/dbraw/zinc/21/38/91/210213891.db2.gz AADFBKFELOITOB-WOJBJXKFSA-N 0 0 340.382 3.996 10 0 EHAERN C(=C\c1ncnc2c1ncn2Cc1ccccc1)\NC1CCCCC1 ZINC000100214250 219094141 /nfs/dbraw/zinc/09/41/41/219094141.db2.gz FSBUBKGROFDRMP-QXMHVHEDSA-N 0 0 333.439 3.768 10 0 EHAERN Cc1c(C(=O)NC2CCCCCC2)cccc1-n1nnc2cccnc21 ZINC000064925700 214813380 /nfs/dbraw/zinc/81/33/80/214813380.db2.gz OPJFPFYITUHQCW-UHFFFAOYSA-N 0 0 349.438 3.577 10 0 EHAERN CN(C)C(=O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC000065344345 214872526 /nfs/dbraw/zinc/87/25/26/214872526.db2.gz SLPQQAQDIYGVIE-UHFFFAOYSA-N 0 0 325.286 3.660 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-n1cccn1 ZINC000045062989 213704846 /nfs/dbraw/zinc/70/48/46/213704846.db2.gz XVZGHMDZPOKTLT-QWHCGFSZSA-N 0 0 337.345 3.723 10 0 EHAERN CC(C)N(CC(=O)c1ccccc1Br)CC(F)(F)F ZINC000042776774 213532501 /nfs/dbraw/zinc/53/25/01/213532501.db2.gz ARJGKVQRSLERPY-UHFFFAOYSA-N 0 0 338.167 3.905 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)c1cc2c([nH]c1=O)CCCC2 ZINC000068071887 215274719 /nfs/dbraw/zinc/27/47/19/215274719.db2.gz HSCGYHDBWIIZRX-UHFFFAOYSA-N 0 0 337.206 3.813 10 0 EHAERN CCCC[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1C ZINC000104027455 219340641 /nfs/dbraw/zinc/34/06/41/219340641.db2.gz LJGSODLQNKQLHA-LLVKDONJSA-N 0 0 334.279 3.615 10 0 EHAERN CC(=O)c1sc(NC(=O)COc2ccc(Cl)c(C)c2)nc1C ZINC000040870392 213395710 /nfs/dbraw/zinc/39/57/10/213395710.db2.gz CUQABJWUMKIDPT-UHFFFAOYSA-N 0 0 338.816 3.633 10 0 EHAERN COc1ccc(Nc2ncnc(Oc3ccccc3OC)c2N)cc1 ZINC000040782642 213387108 /nfs/dbraw/zinc/38/71/08/213387108.db2.gz VZEMRAUFEMVHKU-UHFFFAOYSA-N 0 0 338.367 3.612 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040758186 213383308 /nfs/dbraw/zinc/38/33/08/213383308.db2.gz KHFNUHUIVMNEIJ-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN Nc1c(Oc2cccnc2)ncnc1Oc1cccc2cccnc21 ZINC000040752202 213382524 /nfs/dbraw/zinc/38/25/24/213382524.db2.gz GVSIKXHFLDFRHE-UHFFFAOYSA-N 0 0 331.335 3.587 10 0 EHAERN CCC(CC)[C@@H](C)NS(=O)(=O)c1ccccc1Br ZINC000104434702 219387602 /nfs/dbraw/zinc/38/76/02/219387602.db2.gz PIYQNRUNBGDANS-SNVBAGLBSA-N 0 0 334.279 3.552 10 0 EHAERN CC(C)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000040280073 213286542 /nfs/dbraw/zinc/28/65/42/213286542.db2.gz IQGPVMVLRREICF-UHFFFAOYSA-N 0 0 325.387 3.761 10 0 EHAERN Cc1ccc([C@H]2SCCN2C(=O)COc2ccccc2)cc1C ZINC000038149959 213203995 /nfs/dbraw/zinc/20/39/95/213203995.db2.gz CVJWPKIGDLZJDR-LJQANCHMSA-N 0 0 327.449 3.956 10 0 EHAERN O=Cc1cn(-c2ccccn2)nc1-c1ccc(Br)s1 ZINC000038002042 213185989 /nfs/dbraw/zinc/18/59/89/213185989.db2.gz BMKBYUMHTGLXMB-UHFFFAOYSA-N 0 0 334.198 3.571 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCC1)c1ccccc1Br ZINC000037970858 213177151 /nfs/dbraw/zinc/17/71/51/213177151.db2.gz WTIWGFVCPDVOQX-AWEZNQCLSA-N 0 0 326.234 3.586 10 0 EHAERN CCOC(=O)Cc1nc(-c2ccc(Br)s2)cs1 ZINC000037977990 213180012 /nfs/dbraw/zinc/18/00/12/213180012.db2.gz SRYFDUKAGARWTI-UHFFFAOYSA-N 0 0 332.244 3.740 10 0 EHAERN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000037979312 213179729 /nfs/dbraw/zinc/17/97/29/213179729.db2.gz HDRBVRZQZHZICG-QMMMGPOBSA-N 0 0 327.133 3.803 10 0 EHAERN CCOC(=O)[C@H](CCSC)Nc1ccc(Br)cc1 ZINC000037960580 213175764 /nfs/dbraw/zinc/17/57/64/213175764.db2.gz LVFLQDCUFPKIEB-LBPRGKRZSA-N 0 0 332.263 3.546 10 0 EHAERN C[C@@](Nc1ccc(Br)cc1)(C(N)=O)C1CCCCC1 ZINC000037944360 213174978 /nfs/dbraw/zinc/17/49/78/213174978.db2.gz NARLZGLGZZQJRW-HNNXBMFYSA-N 0 0 325.250 3.685 10 0 EHAERN COC(=O)[C@@H](Nc1ccccc1Br)C1CCCCC1 ZINC000037960008 213176686 /nfs/dbraw/zinc/17/66/86/213176686.db2.gz VORKJSMLHORLSL-AWEZNQCLSA-N 0 0 326.234 3.983 10 0 EHAERN Cc1ccc2n1CCN(C(=O)c1csc(Br)c1)[C@@H]2C ZINC000037845009 213169280 /nfs/dbraw/zinc/16/92/80/213169280.db2.gz JAAQJDOWUUYXOT-SNVBAGLBSA-N 0 0 339.258 3.838 10 0 EHAERN Clc1nsnc1Nc1ccccc1I ZINC000037372101 213142118 /nfs/dbraw/zinc/14/21/18/213142118.db2.gz VWDJUMPKEIKZIT-UHFFFAOYSA-N 0 0 337.573 3.540 10 0 EHAERN CCC(CC)NC(=O)[C@@H](C)Nc1cc(Br)ccc1F ZINC000036751902 213116463 /nfs/dbraw/zinc/11/64/63/213116463.db2.gz RNXFKANKKCILRA-SECBINFHSA-N 0 0 331.229 3.693 10 0 EHAERN Cc1cc(Br)cc(N)c1NC(=O)Cc1cccs1 ZINC000036739013 213115294 /nfs/dbraw/zinc/11/52/94/213115294.db2.gz OVWHHIAQPTUPAA-UHFFFAOYSA-N 0 0 325.231 3.582 10 0 EHAERN O=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccccc1 ZINC000035681310 213046078 /nfs/dbraw/zinc/04/60/78/213046078.db2.gz HFABAFLOKYUVIT-TWGQIWQCSA-N 0 0 331.165 3.880 10 0 EHAERN O=C(c1ccsc1)c1cc2c(cc1Br)OCCCO2 ZINC000035369585 213023522 /nfs/dbraw/zinc/02/35/22/213023522.db2.gz SEWYEXKHKULEMZ-UHFFFAOYSA-N 0 0 339.210 3.903 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000035143595 213010410 /nfs/dbraw/zinc/01/04/10/213010410.db2.gz FQMZLAVLESUBAY-UHFFFAOYSA-N 0 0 343.789 3.679 10 0 EHAERN Nc1ccc(F)cc1-c1nc(-c2cccc(Br)c2)no1 ZINC000034973424 213003762 /nfs/dbraw/zinc/00/37/62/213003762.db2.gz GRGQNKUQHOZIDK-UHFFFAOYSA-N 0 0 334.148 3.887 10 0 EHAERN CC(C)CCN1C(=O)C(=O)c2cc(Cl)cc(Br)c21 ZINC000033494362 212942251 /nfs/dbraw/zinc/94/22/51/212942251.db2.gz BURRIYLHHOZELP-UHFFFAOYSA-N 0 0 330.609 3.678 10 0 EHAERN CN[C@@H](c1ccc(Br)o1)c1c(F)cc(OC)cc1F ZINC000037903426 213172600 /nfs/dbraw/zinc/17/26/00/213172600.db2.gz DNBXNOQTUFFBNI-ZDUSSCGKSA-N 0 0 332.144 3.638 10 0 EHAERN CC(=O)N[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1Cl ZINC000000051823 209390041 /nfs/dbraw/zinc/39/00/41/209390041.db2.gz WONMTAHPQOUZSL-OAHLLOKOSA-N 0 0 337.206 3.809 10 0 EHAERN COc1cccc(NC(=O)c2ccc(-c3ccc(C)cc3)[nH]c2=O)c1 ZINC000072451030 216238840 /nfs/dbraw/zinc/23/88/40/216238840.db2.gz ZWROAQXYKNRVGG-UHFFFAOYSA-N 0 0 334.375 3.611 10 0 EHAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)c(F)c3)c(=O)[nH]2)cc1 ZINC000072451050 216238844 /nfs/dbraw/zinc/23/88/44/216238844.db2.gz KGXCTDXNXZHJEX-UHFFFAOYSA-N 0 0 340.329 3.881 10 0 EHAERN CCc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)cc1 ZINC000072450924 216239102 /nfs/dbraw/zinc/23/91/02/216239102.db2.gz LBZADTRFCUOXDP-UHFFFAOYSA-N 0 0 336.366 3.996 10 0 EHAERN O=c1[nH]c(NCCc2ccccc2)nc2nccc(-c3cccs3)c12 ZINC000072441154 216235419 /nfs/dbraw/zinc/23/54/19/216235419.db2.gz WWLZZBYWFTWFKX-UHFFFAOYSA-N 0 0 348.431 3.701 10 0 EHAERN Cc1ccc(OCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1C ZINC000027836503 212580577 /nfs/dbraw/zinc/58/05/77/212580577.db2.gz XUMJZZXBYFRMBC-KBPBESRZSA-N 0 0 329.362 3.920 10 0 EHAERN O=C1Cc2cc(Nc3nccc(Oc4ccc(F)cc4)n3)ccc2N1 ZINC000072945523 216330359 /nfs/dbraw/zinc/33/03/59/216330359.db2.gz IZUYRRXCUHUPBJ-UHFFFAOYSA-N 0 0 336.326 3.646 10 0 EHAERN O=C([O-])[C@@H](c1cc(Br)ccc1F)[NH+]1CCCCCC1 ZINC000038086466 213200693 /nfs/dbraw/zinc/20/06/93/213200693.db2.gz HESSRLNHGVQNEF-CYBMUJFWSA-N 0 0 330.197 3.590 10 0 EHAERN O=C1C=C(Nc2cccc3ccccc32)C(=O)N1CCc1ccccc1 ZINC000021945807 212265495 /nfs/dbraw/zinc/26/54/95/212265495.db2.gz RSPJIVJPENEQHA-UHFFFAOYSA-N 0 0 342.398 3.747 10 0 EHAERN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cnc4cccnc43)cc2)[C@H]1C ZINC000245245970 243102055 /nfs/dbraw/zinc/10/20/55/243102055.db2.gz XVJMVGZRYKVTQV-RVKKMQEKSA-N 0 0 348.450 3.975 10 0 EHAERN COc1ccc(OCCCC(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000020344583 212121680 /nfs/dbraw/zinc/12/16/80/212121680.db2.gz QVOFNCOKCHXZAG-UHFFFAOYSA-N 0 0 334.803 3.729 10 0 EHAERN CCOC(=O)Cc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000020311738 212118028 /nfs/dbraw/zinc/11/80/28/212118028.db2.gz VBDKEXPYLBDRSB-UHFFFAOYSA-N 0 0 340.242 3.987 10 0 EHAERN O=C1C(=O)N(C/C=C/c2ccccc2)c2cccc(Br)c21 ZINC000019966775 212091966 /nfs/dbraw/zinc/09/19/66/212091966.db2.gz RJOHCPVKTKOELM-VMPITWQZSA-N 0 0 342.192 3.692 10 0 EHAERN COc1ccc(CSc2ccc(N)cn2)cc1Br ZINC000049596400 214021890 /nfs/dbraw/zinc/02/18/90/214021890.db2.gz KKBBVLXVJUSGLC-UHFFFAOYSA-N 0 0 325.231 3.727 10 0 EHAERN Cc1nc(C)c([C@@H](C)Nc2ncc(Br)cc2N)s1 ZINC000049533781 214015438 /nfs/dbraw/zinc/01/54/38/214015438.db2.gz ITBQJWVDDANNPE-SSDOTTSWSA-N 0 0 327.251 3.673 10 0 EHAERN CC(C)NC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000017301316 211963527 /nfs/dbraw/zinc/96/35/27/211963527.db2.gz BXTGNFWRPIKQLF-UHFFFAOYSA-N 0 0 327.815 3.881 10 0 EHAERN Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2Br)cn1 ZINC000079981094 217268883 /nfs/dbraw/zinc/26/88/83/217268883.db2.gz OJNKMDIZXBFKLM-LBPRGKRZSA-N 0 0 333.229 3.572 10 0 EHAERN CC(=O)N1CCc2c(c(-c3cccs3)nn2Cc2ccccc2)C1 ZINC000012219442 211321881 /nfs/dbraw/zinc/32/18/81/211321881.db2.gz DFRXJXURMJACJZ-UHFFFAOYSA-N 0 0 337.448 3.565 10 0 EHAERN O=c1[nH]c(Nc2ccc(OCc3ccccc3)cc2)nc2c1CCCC2 ZINC000011991456 211275853 /nfs/dbraw/zinc/27/58/53/211275853.db2.gz XZFSJYFCQUAVCY-UHFFFAOYSA-N 0 0 347.418 3.971 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](COc2nsc3ccccc32)C1 ZINC000095084129 218275626 /nfs/dbraw/zinc/27/56/26/218275626.db2.gz CRMNILNKTAHLDS-GFCCVEGCSA-N 0 0 334.441 3.932 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2ncc(Cl)cn2)C1 ZINC000095085130 218276397 /nfs/dbraw/zinc/27/63/97/218276397.db2.gz YWPKPTKSCCVZQW-GFCCVEGCSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nccc(Cl)n2)C1 ZINC000095085137 218276732 /nfs/dbraw/zinc/27/67/32/218276732.db2.gz CHDLAHGGQFQIGB-LBPRGKRZSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2ccc(Cl)nn2)C1 ZINC000095085119 218276824 /nfs/dbraw/zinc/27/68/24/218276824.db2.gz GSQALGSBVBSGRG-LBPRGKRZSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1ncccc1O ZINC000095086241 218277457 /nfs/dbraw/zinc/27/74/57/218277457.db2.gz FDRRUXGGOPWJSI-AWEZNQCLSA-N 0 0 336.432 3.736 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1ncc(Cl)cn1 ZINC000095086330 218277472 /nfs/dbraw/zinc/27/74/72/218277472.db2.gz WWESQIFRTLEGHZ-CYBMUJFWSA-N 0 0 341.839 3.689 10 0 EHAERN C[C@H](OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089457 218278996 /nfs/dbraw/zinc/27/89/96/218278996.db2.gz WRPYOORPZWWDES-LSDHHAIUSA-N 0 0 335.448 3.734 10 0 EHAERN CCn1cc2c(n1)-c1c(C)c(C(=O)Nc3ccc(F)cc3)oc1CC2 ZINC000006871838 210732084 /nfs/dbraw/zinc/73/20/84/210732084.db2.gz WIHMGSFHOJITJO-UHFFFAOYSA-N 0 0 339.370 3.961 10 0 EHAERN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(O)c1 ZINC000006736678 210695933 /nfs/dbraw/zinc/69/59/33/210695933.db2.gz XNFYSRBUVSZTBS-VMPITWQZSA-N 0 0 348.196 3.815 10 0 EHAERN CC(=O)[C@H]1C[C@H](C)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC[C@H](O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000118913370 221202539 /nfs/dbraw/zinc/20/25/39/221202539.db2.gz BUDKLYQSLDHSFY-LMZDSGTISA-N 0 0 346.511 3.973 10 0 EHAERN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(=O)C2CC=CC2)C3)c1 ZINC000247904955 257673907 /nfs/dbraw/zinc/67/39/07/257673907.db2.gz JQNLHLOOLLJVNR-PZJWPPBQSA-N 0 0 340.467 3.502 10 0 EHAERN COc1ccccc1OC(=O)c1ccccc1OC(=O)c1cccnc1 ZINC000001743908 257911428 /nfs/dbraw/zinc/91/14/28/257911428.db2.gz AGOSKLDLMXRQQO-UHFFFAOYSA-N 0 0 349.342 3.529 10 0 EHAERN Cc1n[nH]c(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000036733992 526500622 /nfs/dbraw/zinc/50/06/22/526500622.db2.gz CZWZRSRYXQYFGJ-SECBINFHSA-N 0 0 328.199 3.739 10 0 EHAERN CCOc1ccccc1C(=O)N1CCc2[nH]cnc2C12CCCCC2 ZINC000065293156 563853609 /nfs/dbraw/zinc/85/36/09/563853609.db2.gz RYGCXKRMRHIGAC-UHFFFAOYSA-N 0 0 339.439 3.666 10 0 EHAERN CCn1c(=S)[nH]nc1[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000048512905 563930469 /nfs/dbraw/zinc/93/04/69/563930469.db2.gz BIPMNOJKTPHBCX-GFCCVEGCSA-N 0 0 338.864 3.741 10 0 EHAERN CCn1c(=S)[nH]nc1[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000048512908 563930514 /nfs/dbraw/zinc/93/05/14/563930514.db2.gz BIPMNOJKTPHBCX-LBPRGKRZSA-N 0 0 338.864 3.741 10 0 EHAERN CC[C@H](C)NC(=O)COc1cc(C)c(Br)c(C)c1C ZINC000006934230 564018392 /nfs/dbraw/zinc/01/83/92/564018392.db2.gz MVNZFDICPUNPSU-JTQLQIEISA-N 0 0 328.250 3.668 10 0 EHAERN CC(C)(C)OC(=O)N1CC(C)(C)c2ncc(Br)cc21 ZINC000143092893 564051032 /nfs/dbraw/zinc/05/10/32/564051032.db2.gz UGSOPAQTNLDTAN-UHFFFAOYSA-N 0 0 327.222 3.877 10 0 EHAERN Cc1nc(CO[C@H]2CCN(c3nc4cc(F)ccc4o3)C2)cs1 ZINC000170601914 564109334 /nfs/dbraw/zinc/10/93/34/564109334.db2.gz MVVVONORYYVSHW-ZDUSSCGKSA-N 0 0 333.388 3.527 10 0 EHAERN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000015785467 564173937 /nfs/dbraw/zinc/17/39/37/564173937.db2.gz JJGAVFYLUUJFNZ-UHFFFAOYSA-N 0 0 346.434 3.567 10 0 EHAERN CC(C)=C[C@H]1[C@@H](C(=O)OCC(=O)c2ccc3c(c2)CCO3)C1(C)C ZINC000071796014 564175383 /nfs/dbraw/zinc/17/53/83/564175383.db2.gz RLCPWWCSGXBYPJ-YJBOKZPZSA-N 0 0 328.408 3.586 10 0 EHAERN CC(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685962200 564177234 /nfs/dbraw/zinc/17/72/34/564177234.db2.gz XYUOZSRDGPXCCM-GDBMZVCRSA-N 0 0 335.444 3.710 10 0 EHAERN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000716231258 977820743 /nfs/dbraw/zinc/82/07/43/977820743.db2.gz QIBVCWIKHDZXLX-AOCRQIFASA-N 0 0 331.456 3.557 10 0 EHAERN C/C(=C\c1ccc(C)cc1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000182576723 1032109837 /nfs/dbraw/zinc/10/98/37/1032109837.db2.gz LCGUDTYCNKKKFW-SAPNQHFASA-N 0 0 337.467 3.613 10 0 EHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@H](C)c1cnn(C)c1)CC2 ZINC000188130425 1015650207 /nfs/dbraw/zinc/65/02/07/1015650207.db2.gz YYXSIBKLTYXGKA-AUUYWEPGSA-N 0 0 340.471 3.933 10 0 EHAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000155293787 1016425806 /nfs/dbraw/zinc/42/58/06/1016425806.db2.gz RDMLJQWYXOSFOM-AWEZNQCLSA-N 0 0 341.455 3.874 10 0 EHAERN Cc1oc2nc(CN3CC[C@@H](C(F)(F)F)C3(C)C)nc(N)c2c1C ZINC000407951304 1016473301 /nfs/dbraw/zinc/47/33/01/1016473301.db2.gz CQJITFBZQBQMBG-SNVBAGLBSA-N 0 0 342.365 3.585 10 0 EHAERN O=C(c1cc2cc(F)ccc2s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000177985432 1016509185 /nfs/dbraw/zinc/50/91/85/1016509185.db2.gz INUJHHZYRHVGSK-ACJLOTCBSA-N 0 0 333.428 3.808 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000407982404 1016703744 /nfs/dbraw/zinc/70/37/44/1016703744.db2.gz GHTPVEOYHRFSSU-ONIAQPFYSA-N 0 0 344.455 3.646 10 0 EHAERN c1csc(-c2cc(CN3CCCN(c4ccccn4)CC3)no2)c1 ZINC000183800050 1032206198 /nfs/dbraw/zinc/20/61/98/1032206198.db2.gz MAUYFHILTIINSJ-UHFFFAOYSA-N 0 0 340.452 3.510 10 0 EHAERN CC(C)(C)c1csc(CN2CCCN(c3ccccn3)CC2)n1 ZINC000183841015 1032232785 /nfs/dbraw/zinc/23/27/85/1032232785.db2.gz XTGKTDPICPJXQD-UHFFFAOYSA-N 0 0 330.501 3.548 10 0 EHAERN Cc1cc2cc(NC(=O)N3CCCN(c4ccccn4)CC3)ccc2[nH]1 ZINC000184101998 1032253415 /nfs/dbraw/zinc/25/34/15/1032253415.db2.gz NSPYODQUJBZDIT-UHFFFAOYSA-N 0 0 349.438 3.616 10 0 EHAERN CCCC(CCC)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185539483 1032440819 /nfs/dbraw/zinc/44/08/19/1032440819.db2.gz XWMLHIVPELBDHF-IBGZPJMESA-N 0 0 348.462 3.952 10 0 EHAERN CC1CCC(O)(CS(=O)(=O)[C@H]2CCc3c2cccc3Cl)CC1 ZINC000182384460 1017088136 /nfs/dbraw/zinc/08/81/36/1017088136.db2.gz YFBYGFSEBNDZHH-PDOTXMHQSA-N 0 0 342.888 3.683 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Cc3ccc(C)s3)C2)c1 ZINC000081642161 1032615605 /nfs/dbraw/zinc/61/56/05/1032615605.db2.gz XOSSWXZPOOFXMD-CQSZACIVSA-N 0 0 345.464 3.632 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc4cc[nH]c(=O)c4c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333357042 1019398089 /nfs/dbraw/zinc/39/80/89/1019398089.db2.gz GNZSSZRCTHNEMS-BAGFXWCHSA-N 0 0 337.423 3.840 10 0 EHAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000093129261 1032877084 /nfs/dbraw/zinc/87/70/84/1032877084.db2.gz IYQCGHNGZHNSGY-MISXGVKJSA-N 0 0 330.881 3.823 10 0 EHAERN C[C@H]1CCCN(C(=O)Nc2ccccc2N2CCCCCC2)[C@H]1CO ZINC000089856644 1020317646 /nfs/dbraw/zinc/31/76/46/1020317646.db2.gz CVGXTALUCIFZJF-LPHOPBHVSA-N 0 0 345.487 3.692 10 0 EHAERN COCc1ccsc1C(=O)n1ccccc1=NC1CCCCC1 ZINC000588402385 1020529708 /nfs/dbraw/zinc/52/97/08/1020529708.db2.gz ANHLQTMRWLIRRG-UHFFFAOYSA-N 0 0 330.453 3.618 10 0 EHAERN C[C@@H](OC(=O)/C=C\c1ccncn1)c1nc2ccccc2n1C(F)F ZINC000588403024 1020548024 /nfs/dbraw/zinc/54/80/24/1020548024.db2.gz SCOJWNCBSIYAOP-JMEBYUIHSA-N 0 0 344.321 3.539 10 0 EHAERN O=C1OC(c2cccnc2)=N/C1=C\c1ccc(SC(F)F)cc1 ZINC000588419755 1021198907 /nfs/dbraw/zinc/19/89/07/1021198907.db2.gz ZYMSFLRYMVVQPK-JYRVWZFOSA-N 0 0 332.331 3.741 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c2ccccc21 ZINC000246528611 1021213529 /nfs/dbraw/zinc/21/35/29/1021213529.db2.gz CLBKFYKBDFOVJI-WHUJPVCOSA-N 0 0 328.456 3.882 10 0 EHAERN O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)N1Cc2ccccc2CO1 ZINC000334100714 1022282985 /nfs/dbraw/zinc/28/29/85/1022282985.db2.gz WCOPSDNQINPXTB-JKSUJKDBSA-N 0 0 344.436 3.625 10 0 EHAERN CC(C)CCO[C@H]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000122904836 1022294088 /nfs/dbraw/zinc/29/40/88/1022294088.db2.gz CKJFXMRYUPZXRY-INIZCTEOSA-N 0 0 333.476 3.735 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128209187 1022420059 /nfs/dbraw/zinc/42/00/59/1022420059.db2.gz WYYQAEZQKGBTLQ-LRDDRELGSA-N 0 0 342.361 3.864 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)CC[C@H](C)c2ccccc2)[nH]1 ZINC000328750524 1022480029 /nfs/dbraw/zinc/48/00/29/1022480029.db2.gz RGRJPDICRUMNIM-WMLDXEAASA-N 0 0 326.444 3.751 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccc3c(c2)OCO3)cc1C ZINC000101603937 1022567423 /nfs/dbraw/zinc/56/74/23/1022567423.db2.gz WTHUSBBSQDFCSO-UHFFFAOYSA-N 0 0 342.395 3.705 10 0 EHAERN CC(=O)Nc1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)ccc1F ZINC000126087883 1022752111 /nfs/dbraw/zinc/75/21/11/1022752111.db2.gz QGHGLDJMPCSGTN-UHFFFAOYSA-N 0 0 345.418 3.730 10 0 EHAERN CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588450968 1022997556 /nfs/dbraw/zinc/99/75/56/1022997556.db2.gz MWMBHISBOWUPMV-DOOKAGJSSA-N 0 0 346.471 3.623 10 0 EHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247007108 1023290088 /nfs/dbraw/zinc/29/00/88/1023290088.db2.gz LYJGRXCXMVLIPI-POZUXBRTSA-N 0 0 348.874 3.664 10 0 EHAERN C/C(=C/C(=O)N(C)c1nncs1)c1cccc(C(F)(F)F)c1 ZINC000588469533 1023592979 /nfs/dbraw/zinc/59/29/79/1023592979.db2.gz VVLGWLOIIHDPKV-TWGQIWQCSA-N 0 0 327.331 3.623 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000180845343 1023965150 /nfs/dbraw/zinc/96/51/50/1023965150.db2.gz DZJCFBUKEUNHOU-RDTXWAMCSA-N 0 0 340.471 3.836 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC(C)(C)C1 ZINC000329861875 1024226791 /nfs/dbraw/zinc/22/67/91/1024226791.db2.gz QOVDZASBBPGDNS-QLFBSQMISA-N 0 0 333.476 3.715 10 0 EHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000329936795 1024256862 /nfs/dbraw/zinc/25/68/62/1024256862.db2.gz RTRHNMJPJVEMSB-XJKSGUPXSA-N 0 0 340.452 3.952 10 0 EHAERN C[C@H]1C[C@H](C(=O)Nc2cnn(Cc3ccncc3)c2)CC(C)(C)C1 ZINC000183557094 1024274672 /nfs/dbraw/zinc/27/46/72/1024274672.db2.gz MNLQLDGBOLDCHI-HOCLYGCPSA-N 0 0 326.444 3.727 10 0 EHAERN Cc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1N1C(=O)CNC1=O ZINC000330007503 1024285873 /nfs/dbraw/zinc/28/58/73/1024285873.db2.gz DPYJUQVTRMONEY-IUODEOHRSA-N 0 0 329.444 3.882 10 0 EHAERN COC1(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)CCCCC1 ZINC000185899228 1024693807 /nfs/dbraw/zinc/69/38/07/1024693807.db2.gz GJUAISKOXRRYJA-UHFFFAOYSA-N 0 0 347.440 3.543 10 0 EHAERN C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000151808416 1024713049 /nfs/dbraw/zinc/71/30/49/1024713049.db2.gz DBHFJXLBSDXZRY-BYIUCRAPSA-N 0 0 342.418 3.595 10 0 EHAERN Cc1csc(C2CCN(C(=O)C[C@H](C)c3c(C)noc3C)CC2)n1 ZINC000152192388 1025297279 /nfs/dbraw/zinc/29/72/79/1025297279.db2.gz ZFBWZDGLSGPXQL-NSHDSACASA-N 0 0 347.484 3.956 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)no1 ZINC000329355905 1025777531 /nfs/dbraw/zinc/77/75/31/1025777531.db2.gz FQMBKQHUHBVRBH-OTWHNJEPSA-N 0 0 347.418 3.998 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@@H](C)Oc3cccc(F)c3)c21 ZINC000103128710 1026064537 /nfs/dbraw/zinc/06/45/37/1026064537.db2.gz ZXHZLIFVYGQGLI-CQSZACIVSA-N 0 0 340.398 3.742 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)CCOc3ccccc3F)c21 ZINC000103129151 1026065609 /nfs/dbraw/zinc/06/56/09/1026065609.db2.gz JKIHAPWPFDNPAJ-UHFFFAOYSA-N 0 0 340.398 3.743 10 0 EHAERN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(F)c(C)c1 ZINC000103432895 1026086426 /nfs/dbraw/zinc/08/64/26/1026086426.db2.gz BMZLMKDGVYUWCR-QGZVFWFLSA-N 0 0 327.399 3.990 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000152530131 1026288382 /nfs/dbraw/zinc/28/83/82/1026288382.db2.gz SHRBAWAGVMCRFD-SMDDNHRTSA-N 0 0 333.457 3.648 10 0 EHAERN COc1ccc(C)cc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000152970692 1026898095 /nfs/dbraw/zinc/89/80/95/1026898095.db2.gz OPDKRSIBEFSOJP-KRWDZBQOSA-N 0 0 330.384 3.510 10 0 EHAERN CCCc1nc([C@@H](Nc2ncnc(CC)c2F)c2ccccc2)no1 ZINC000301971951 1027010687 /nfs/dbraw/zinc/01/06/87/1027010687.db2.gz SUFAXBSRSAUUOC-INIZCTEOSA-N 0 0 341.390 3.715 10 0 EHAERN Cc1c([C@H]2CCCN2c2ccc(Br)c(C)n2)cnn1C ZINC000302152757 1027071933 /nfs/dbraw/zinc/07/19/33/1027071933.db2.gz MGQHZRGBVGJZSH-CQSZACIVSA-N 0 0 335.249 3.536 10 0 EHAERN CCc1cc(C(=O)NC2CCN(c3cccc(C)n3)CC2)oc1CC ZINC000126400126 1027200434 /nfs/dbraw/zinc/20/04/34/1027200434.db2.gz MFIQTTRNYDOVTH-UHFFFAOYSA-N 0 0 341.455 3.507 10 0 EHAERN Cc1cnc2c(c1)N(C(=O)c1csc(-c3ccsc3)n1)CCO2 ZINC000126618990 1027222855 /nfs/dbraw/zinc/22/28/55/1027222855.db2.gz RNYIKGMIDQPWHS-UHFFFAOYSA-N 0 0 343.433 3.614 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CCc2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000127717064 1027347858 /nfs/dbraw/zinc/34/78/58/1027347858.db2.gz HCPALQWJLXXKIV-FQEVSTJZSA-N 0 0 348.450 3.568 10 0 EHAERN c1cnn([C@@H]2CCCC[C@@H]2NCc2noc(C3CCCCC3)n2)c1 ZINC000128451531 1027438497 /nfs/dbraw/zinc/43/84/97/1027438497.db2.gz WGLPVXUNOCSBQM-JKSUJKDBSA-N 0 0 329.448 3.587 10 0 EHAERN O=C(CNc1ccc(F)c(F)c1F)N1CCC[C@@H]1c1cccs1 ZINC000198662741 1027850113 /nfs/dbraw/zinc/85/01/13/1027850113.db2.gz AEWDAQHCTYIVEX-GFCCVEGCSA-N 0 0 340.370 3.941 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000105136380 1027943958 /nfs/dbraw/zinc/94/39/58/1027943958.db2.gz PBJILKVPIAGVMG-MJGOQNOKSA-N 0 0 347.503 3.641 10 0 EHAERN CCOC(=O)c1cc2cc(C(=O)N3CCCC(C)(C)C3)ccc2[nH]1 ZINC000112682961 1027951784 /nfs/dbraw/zinc/95/17/84/1027951784.db2.gz BZXKINLEAMNVDV-UHFFFAOYSA-N 0 0 328.412 3.607 10 0 EHAERN Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113890577 1027967199 /nfs/dbraw/zinc/96/71/99/1027967199.db2.gz GPLPRYOCDGOGOE-AWEZNQCLSA-N 0 0 332.473 3.741 10 0 EHAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000078574351 1027975865 /nfs/dbraw/zinc/97/58/65/1027975865.db2.gz ARCHFAKTTSQLCQ-ZIAGYGMSSA-N 0 0 328.391 3.665 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1c(F)cccc1NC1CC1 ZINC000132989124 1027986711 /nfs/dbraw/zinc/98/67/11/1027986711.db2.gz HXLTXPYXXVZIIM-VOJFVSQTSA-N 0 0 326.371 3.903 10 0 EHAERN C[C@H]1C[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@@H](C)C1 ZINC000246221844 1028013644 /nfs/dbraw/zinc/01/36/44/1028013644.db2.gz QPTITDQXPBIXRL-FOLVSLTJSA-N 0 0 348.512 3.541 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246248829 1028072521 /nfs/dbraw/zinc/07/25/21/1028072521.db2.gz IZWURHUDOVAFPB-LNLFQRSKSA-N 0 0 348.531 3.985 10 0 EHAERN CC1(C)CCc2sc(NC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)nc21 ZINC000333581204 1028096641 /nfs/dbraw/zinc/09/66/41/1028096641.db2.gz UFGIPRLHWCZXIJ-SGTLLEGYSA-N 0 0 349.500 3.526 10 0 EHAERN Cc1cc(C)c(NC(=O)N2CCC3(CCC(O)CC3)CC2)c(C)n1 ZINC000455494355 1028225549 /nfs/dbraw/zinc/22/55/49/1028225549.db2.gz DTGHOPPCZGHWNI-UHFFFAOYSA-N 0 0 331.460 3.556 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000054652479 1028244530 /nfs/dbraw/zinc/24/45/30/1028244530.db2.gz MNUHPGFITAGHCM-NLWGTHIKSA-N 0 0 337.419 3.794 10 0 EHAERN CN1CC[C@H](CNC(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC000056045454 1028307646 /nfs/dbraw/zinc/30/76/46/1028307646.db2.gz GTOMGCDFXJIEHE-GFCCVEGCSA-N 0 0 332.806 3.833 10 0 EHAERN CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000588562167 1028422455 /nfs/dbraw/zinc/42/24/55/1028422455.db2.gz MYXKPUYLLQMKQU-YAEJEKNGSA-N 0 0 326.234 3.991 10 0 EHAERN O=C(c1ccc(F)c(F)c1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062555269 1028449190 /nfs/dbraw/zinc/44/91/90/1028449190.db2.gz GONRVXBZXNAXPG-AWEZNQCLSA-N 0 0 331.362 3.896 10 0 EHAERN CC1(C)CCCC[C@H]1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000194104548 1028490395 /nfs/dbraw/zinc/49/03/95/1028490395.db2.gz PQYWVJNEQYZGMR-HNNXBMFYSA-N 0 0 348.512 3.639 10 0 EHAERN O=C1CCCc2cc(N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)ccc2N1 ZINC000194161614 1028497082 /nfs/dbraw/zinc/49/70/82/1028497082.db2.gz UIEWQJYEHBRAKZ-ATZDWAIDSA-N 0 0 326.440 3.721 10 0 EHAERN C[C@@H](c1ccco1)N(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000195059568 1028571984 /nfs/dbraw/zinc/57/19/84/1028571984.db2.gz ZDGUOOZGBJKMFW-GJZGRUSLSA-N 0 0 327.428 3.606 10 0 EHAERN Fc1ccc(-c2noc(CN3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000195355326 1028599030 /nfs/dbraw/zinc/59/90/30/1028599030.db2.gz ITHHOPPWIGLTLL-CYBMUJFWSA-N 0 0 344.415 3.712 10 0 EHAERN Cc1cc(C)cc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000195351797 1028636787 /nfs/dbraw/zinc/63/67/87/1028636787.db2.gz MLXBFQUCKHXDAU-OAHLLOKOSA-N 0 0 329.469 3.578 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1csc(-c2ccsc2)n1 ZINC000246575713 1028662979 /nfs/dbraw/zinc/66/29/79/1028662979.db2.gz ARBVBVHXQGKKKC-SCRDCRAPSA-N 0 0 334.466 3.559 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN([C@H](C)c3nc(C(C)C)no3)C2)c1 ZINC000246580463 1028663570 /nfs/dbraw/zinc/66/35/70/1028663570.db2.gz WBWVBGBGVGNJQY-ZIAGYGMSSA-N 0 0 345.443 3.761 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)[C@@H](C)C1 ZINC000246617219 1028669714 /nfs/dbraw/zinc/66/97/14/1028669714.db2.gz BPTDKURRXMOCGX-IJEWVQPXSA-N 0 0 348.512 3.541 10 0 EHAERN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000246675261 1028674803 /nfs/dbraw/zinc/67/48/03/1028674803.db2.gz JPIMSPZICTWRAR-WDBKCZKBSA-N 0 0 346.229 3.698 10 0 EHAERN Cc1cccc(-c2cncc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c2)c1 ZINC000246837101 1028699440 /nfs/dbraw/zinc/69/94/40/1028699440.db2.gz SSBLOXWQGLXZCB-GUDVDZBRSA-N 0 0 336.435 3.600 10 0 EHAERN COc1cccc([C@H](C)CC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000247191934 1028757065 /nfs/dbraw/zinc/75/70/65/1028757065.db2.gz YJFLNIXJXYTHQY-IXMYUCAJSA-N 0 0 343.467 3.653 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2ccc(OC3CCC3)c(F)c2)[C@H]2CCO[C@H]21 ZINC000247387868 1028785187 /nfs/dbraw/zinc/78/51/87/1028785187.db2.gz VIGDAIAXTLZSJF-KBRIMQKVSA-N 0 0 348.418 3.692 10 0 EHAERN O=C(/C=C/c1cc(Cl)ccc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000153814351 1028789639 /nfs/dbraw/zinc/78/96/39/1028789639.db2.gz FUZOBXSZLJCJBQ-JHBSALDVSA-N 0 0 326.223 3.646 10 0 EHAERN COc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OC(C)C ZINC000248860665 1028957532 /nfs/dbraw/zinc/95/75/32/1028957532.db2.gz GCZZQDZXHGAQDI-XHSDSOJGSA-N 0 0 348.443 3.562 10 0 EHAERN Brc1ccc([C@@H]2CN(C[C@H]3CCC=CO3)CCO2)cc1 ZINC000249044049 1028978553 /nfs/dbraw/zinc/97/85/53/1028978553.db2.gz VMXXEVOXNGXYOL-CVEARBPZSA-N 0 0 338.245 3.515 10 0 EHAERN Cc1nc(C(C)(C)NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)sc1C ZINC000076476018 1028990990 /nfs/dbraw/zinc/99/09/90/1028990990.db2.gz LQYLBWSKBBDISR-BONVTDFDSA-N 0 0 330.453 3.676 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@@H](C)C1 ZINC000249483865 1029004569 /nfs/dbraw/zinc/00/45/69/1029004569.db2.gz XOJPGZSTKWLFHE-TYNCELHUSA-N 0 0 330.432 3.610 10 0 EHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 ZINC000249582785 1029010908 /nfs/dbraw/zinc/01/09/08/1029010908.db2.gz RUZLSCRCVHOWIU-HFBAOOFYSA-N 0 0 330.453 3.595 10 0 EHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000249775061 1029021654 /nfs/dbraw/zinc/02/16/54/1029021654.db2.gz CBXBOQUUWOBHFO-MAZHCROVSA-N 0 0 330.453 3.739 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc4ccccc4c3O)CCO2)o1 ZINC000154297482 1029087865 /nfs/dbraw/zinc/08/78/65/1029087865.db2.gz FWGWUMFXIGSRNH-SFHVURJKSA-N 0 0 337.375 3.661 10 0 EHAERN CC1CCN(c2ccc(NC(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)cc2)CC1 ZINC000251436928 1029124138 /nfs/dbraw/zinc/12/41/38/1029124138.db2.gz AWSHHYMONHXNEO-OTWHNJEPSA-N 0 0 343.471 3.612 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3sc(C)nc3C)C2)cc1 ZINC000078185668 1029222105 /nfs/dbraw/zinc/22/21/05/1029222105.db2.gz XPBWHGCBSSXOKX-IAQYHMDHSA-N 0 0 330.453 3.787 10 0 EHAERN Fc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1C(F)(F)F ZINC000245740835 1029223559 /nfs/dbraw/zinc/22/35/59/1029223559.db2.gz GEXSWNCYXJMONK-ZIAGYGMSSA-N 0 0 335.366 3.551 10 0 EHAERN C[C@]1(C(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1(Cl)Cl ZINC000078772565 1029441089 /nfs/dbraw/zinc/44/10/89/1029441089.db2.gz AHRKVIOXDFOPQW-OAHLLOKOSA-N 0 0 326.223 3.592 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@@H](C)c3cccnc3)C2)cc1 ZINC000155457236 1029543164 /nfs/dbraw/zinc/54/31/64/1029543164.db2.gz GHQYYKCFMOSIGY-RLFYNMQTSA-N 0 0 339.439 3.739 10 0 EHAERN O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246076087 1029631316 /nfs/dbraw/zinc/63/13/16/1029631316.db2.gz BVNKLTCLALUYFA-DJIMGWMZSA-N 0 0 325.412 3.637 10 0 EHAERN CN(C)c1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114807807 1029834754 /nfs/dbraw/zinc/83/47/54/1029834754.db2.gz HXVACMYLOYERCH-CYBMUJFWSA-N 0 0 330.457 3.621 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156418666 1029840751 /nfs/dbraw/zinc/84/07/51/1029840751.db2.gz CBTUUZXRVXRCRQ-UHFFFAOYSA-N 0 0 346.862 3.869 10 0 EHAERN CCc1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000114823416 1029854266 /nfs/dbraw/zinc/85/42/66/1029854266.db2.gz VAOUVVQEOSLTPC-GFCCVEGCSA-N 0 0 335.498 3.856 10 0 EHAERN Cc1ccc(Cl)cc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156560361 1029872166 /nfs/dbraw/zinc/87/21/66/1029872166.db2.gz YALRDZZYDISTPX-UHFFFAOYSA-N 0 0 346.862 3.869 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3ccc(C)c(O)c3)C2)cc1 ZINC000089452908 1029913889 /nfs/dbraw/zinc/91/38/89/1029913889.db2.gz KRBCXOVANJPTHM-CRAIPNDOSA-N 0 0 339.435 3.656 10 0 EHAERN Cc1nc([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)sc1C ZINC000329246114 1030110655 /nfs/dbraw/zinc/11/06/55/1030110655.db2.gz AMCYFSTUTPIBRA-AWEZNQCLSA-N 0 0 342.530 3.602 10 0 EHAERN COc1ccc([C@H](N[C@H](C)c2cnc(C)s2)c2nccn2C)cc1 ZINC000090401983 1030113182 /nfs/dbraw/zinc/11/31/82/1030113182.db2.gz XCELSZJAZONVLT-PXAZEXFGSA-N 0 0 342.468 3.634 10 0 EHAERN O=C(C1CCCCC1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678277 1030156655 /nfs/dbraw/zinc/15/66/55/1030156655.db2.gz YMHZMLCWFZXTSZ-UHFFFAOYSA-N 0 0 339.439 3.580 10 0 EHAERN O=C(Nc1ccc2c(c1)COC2)N1CCC[C@@H](c2nccs2)C1 ZINC000092163910 1030392523 /nfs/dbraw/zinc/39/25/23/1030392523.db2.gz ARKDKXXTCDZFHH-GFCCVEGCSA-N 0 0 329.425 3.585 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnn(C(C)C)c3C)C2)cc1 ZINC000092465327 1030458085 /nfs/dbraw/zinc/45/80/85/1030458085.db2.gz SIKXDZANAQXSIB-PBHICJAKSA-N 0 0 341.455 3.799 10 0 EHAERN Cc1c(C(=O)N2CCC[C@H](c3nccs3)C2)oc2c1C(=O)CCC2 ZINC000170890064 1030712222 /nfs/dbraw/zinc/71/22/22/1030712222.db2.gz LMQVKRAUJLMDLF-LBPRGKRZSA-N 0 0 344.436 3.583 10 0 EHAERN O=C(Nc1nc2c(s1)COCC2)c1csc(-c2ccsc2)n1 ZINC000171020465 1030760415 /nfs/dbraw/zinc/76/04/15/1030760415.db2.gz CMXZGIHDQBUTQE-UHFFFAOYSA-N 0 0 349.462 3.653 10 0 EHAERN C[C@H](c1ccccc1F)[S@](=O)Cc1nc(-c2ccsc2)no1 ZINC000171497781 1030785244 /nfs/dbraw/zinc/78/52/44/1030785244.db2.gz IEJDGYTZTYOXSQ-ZQJOYCHOSA-N 0 0 336.413 3.947 10 0 EHAERN CCCc1nc(C)c(C(=O)N2CCC(Cc3ccccn3)CC2)s1 ZINC000171610480 1030799146 /nfs/dbraw/zinc/79/91/46/1030799146.db2.gz ROAYPWWFOCWWBO-UHFFFAOYSA-N 0 0 343.496 3.894 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)cc1OC(F)F ZINC000172725034 1030985921 /nfs/dbraw/zinc/98/59/21/1030985921.db2.gz CZURTVOUSQTQKR-RFAUZJTJSA-N 0 0 337.297 3.930 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(F)cc2)cc1 ZINC000172846155 1031010727 /nfs/dbraw/zinc/01/07/27/1031010727.db2.gz JZYZRHPHPPOIOG-GOSISDBHSA-N 0 0 328.387 3.610 10 0 EHAERN Cc1nnc([C@H](NC(=O)C[C@@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000116189178 1031019991 /nfs/dbraw/zinc/01/99/91/1031019991.db2.gz LVEIBSDSVHVGNZ-FOIQADDNSA-N 0 0 348.450 3.821 10 0 EHAERN CCN(C(=O)c1cccc(N2CCNC2=O)c1C)[C@H]1CCCC[C@H]1C ZINC000173456865 1031089872 /nfs/dbraw/zinc/08/98/72/1031089872.db2.gz QBFPHZOPCPZFHL-PBHICJAKSA-N 0 0 343.471 3.565 10 0 EHAERN C[C@H](C1CC1)N(C(=O)NC[C@H]1CCN(C)c2ccccc21)C1CC1 ZINC000174218170 1031178541 /nfs/dbraw/zinc/17/85/41/1031178541.db2.gz PHOQKMKPMUJCDQ-GDBMZVCRSA-N 0 0 327.472 3.583 10 0 EHAERN O=C(Nc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174396353 1031211059 /nfs/dbraw/zinc/21/10/59/1031211059.db2.gz BGKXNUGXRKABIR-HUUCEWRRSA-N 0 0 336.798 3.981 10 0 EHAERN O=C(c1ncncc1Cl)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000175111252 1031276144 /nfs/dbraw/zinc/27/61/44/1031276144.db2.gz PMSUZCZAJHMJER-UHFFFAOYSA-N 0 0 340.814 3.631 10 0 EHAERN CC(C)CCO[C@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000175162839 1031280872 /nfs/dbraw/zinc/28/08/72/1031280872.db2.gz PLMURVNINYOWSS-IRXDYDNUSA-N 0 0 331.456 3.606 10 0 EHAERN CCc1nnc(-c2cccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2)o1 ZINC000175364773 1031298261 /nfs/dbraw/zinc/29/82/61/1031298261.db2.gz XGISFFVTTPLIRZ-CQSZACIVSA-N 0 0 340.210 3.821 10 0 EHAERN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(Cc2nccn2C)CC1 ZINC000175198531 1031310839 /nfs/dbraw/zinc/31/08/39/1031310839.db2.gz SPJVEYKBKLMQAH-CQSZACIVSA-N 0 0 330.476 3.721 10 0 EHAERN C[C@@H]1CN(C(=O)NC[C@@H](CCO)c2ccccc2)[C@@H]1c1ccccc1 ZINC000175235456 1031312302 /nfs/dbraw/zinc/31/23/02/1031312302.db2.gz FJKVCSJQGOYTGC-AHRSYUTCSA-N 0 0 338.451 3.555 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)nc1 ZINC000175277171 1031321037 /nfs/dbraw/zinc/32/10/37/1031321037.db2.gz NRLQIJLJOPGJKO-SJLPKXTDSA-N 0 0 344.503 3.579 10 0 EHAERN Cc1cc(CCCC(=O)N2CCC[C@@H]2Cn2ccnc2)c(C)s1 ZINC000175465784 1031338929 /nfs/dbraw/zinc/33/89/29/1031338929.db2.gz FUBJDRHLVOWXNC-QGZVFWFLSA-N 0 0 331.485 3.575 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000175914095 1031367047 /nfs/dbraw/zinc/36/70/47/1031367047.db2.gz RXSLCXNMUUVEFD-ORAYPTAESA-N 0 0 347.374 3.772 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCC(C)(C)CC(C)C ZINC000175914988 1031368388 /nfs/dbraw/zinc/36/83/88/1031368388.db2.gz JDLWFSMTWOMVDV-MRXNPFEDSA-N 0 0 334.508 3.956 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000176151434 1031417989 /nfs/dbraw/zinc/41/79/89/1031417989.db2.gz WSIIYSKPWPMNKL-VUDPSUQNSA-N 0 0 348.446 3.998 10 0 EHAERN CCC1(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCC1 ZINC000176337271 1031426655 /nfs/dbraw/zinc/42/66/55/1031426655.db2.gz UCBJKXLIRLHJLS-UHFFFAOYSA-N 0 0 334.504 3.598 10 0 EHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCCn3ccnc32)C1 ZINC000176459727 1031441949 /nfs/dbraw/zinc/44/19/49/1031441949.db2.gz MNRHGLAANRBGNU-KBRIMQKVSA-N 0 0 327.403 3.509 10 0 EHAERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCCn3ccnc32)C1 ZINC000176459755 1031442083 /nfs/dbraw/zinc/44/20/83/1031442083.db2.gz MNRHGLAANRBGNU-XYPHTWIQSA-N 0 0 327.403 3.509 10 0 EHAERN Cc1nc(NC(=O)NC2CCN(c3cccs3)CC2)sc1C ZINC000176493935 1031445121 /nfs/dbraw/zinc/44/51/21/1031445121.db2.gz FQSDQFAWZMPOHJ-UHFFFAOYSA-N 0 0 336.486 3.612 10 0 EHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000176746648 1031455290 /nfs/dbraw/zinc/45/52/90/1031455290.db2.gz MLNNGUWRLKFZGN-CSHXORCISA-N 0 0 341.407 3.680 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3csc(-c4ccco4)n3)CCO2)o1 ZINC000158604422 1031491846 /nfs/dbraw/zinc/49/18/46/1031491846.db2.gz ZBYVLFZONFCPBV-INIZCTEOSA-N 0 0 330.409 3.878 10 0 EHAERN CC(C)[C@@H](NC(=O)[C@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000176851022 1031495917 /nfs/dbraw/zinc/49/59/17/1031495917.db2.gz ZLNPGGPXESJHMJ-GOEBONIOSA-N 0 0 333.382 3.552 10 0 EHAERN CCCOc1cccc(CC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000178532468 1031678281 /nfs/dbraw/zinc/67/82/81/1031678281.db2.gz UAQDPIYPTSIEEJ-MRXNPFEDSA-N 0 0 344.480 3.881 10 0 EHAERN O=C(c1ncncc1Cl)N1CCCSc2ccc(Cl)cc21 ZINC000178310994 1031680795 /nfs/dbraw/zinc/68/07/95/1031680795.db2.gz VIJIWQYTHBJYAG-UHFFFAOYSA-N 0 0 340.235 3.926 10 0 EHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cc(C2CC2)n[nH]1 ZINC000178340778 1031682880 /nfs/dbraw/zinc/68/28/80/1031682880.db2.gz WQQHPGZGVQWWDX-QGZVFWFLSA-N 0 0 337.423 3.854 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NCc3ccc(Cl)s3)CCO2)o1 ZINC000179074491 1031729911 /nfs/dbraw/zinc/72/99/11/1031729911.db2.gz GMWFBGCSRJDZSM-ZDUSSCGKSA-N 0 0 340.832 3.586 10 0 EHAERN CCn1c(CN2CCO[C@@H](c3ccc(C)o3)C2)nc2c1cccc2F ZINC000158915098 1031733778 /nfs/dbraw/zinc/73/37/78/1031733778.db2.gz HKDFKYFTBCHBSH-QGZVFWFLSA-N 0 0 343.402 3.670 10 0 EHAERN Cn1ncnc1-c1ccc(OC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000588587675 1031757563 /nfs/dbraw/zinc/75/75/63/1031757563.db2.gz NFHUDUPCUQEDEU-IHWYPQMZSA-N 0 0 337.354 3.630 10 0 EHAERN C[C@H](C(=O)N1CCC(Cc2ccccn2)CC1)c1c(F)cccc1F ZINC000179241005 1031760197 /nfs/dbraw/zinc/76/01/97/1031760197.db2.gz RPUMFCVUFONBBY-AWEZNQCLSA-N 0 0 344.405 3.945 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Oc1cccc(Oc2ncccn2)c1 ZINC000117641935 1031784720 /nfs/dbraw/zinc/78/47/20/1031784720.db2.gz RRUHMLULDOBTFL-ACJLOTCBSA-N 0 0 348.358 3.739 10 0 EHAERN COc1cccc(CCCNC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000117647123 1031786995 /nfs/dbraw/zinc/78/69/95/1031786995.db2.gz CBYGVYPSWNGFEJ-KRWDZBQOSA-N 0 0 339.435 3.700 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C4CCCCC4)n[nH]3)CCO2)o1 ZINC000179561752 1031788122 /nfs/dbraw/zinc/78/81/22/1031788122.db2.gz ISANDKXVNBISKH-SFHVURJKSA-N 0 0 343.427 3.573 10 0 EHAERN COc1c(C)cc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1C ZINC000180025380 1031832207 /nfs/dbraw/zinc/83/22/07/1031832207.db2.gz SONGSJXTASBVQN-AWEZNQCLSA-N 0 0 330.453 3.788 10 0 EHAERN O=C(C(=O)N1CC=C(c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000117721928 1031841232 /nfs/dbraw/zinc/84/12/32/1031841232.db2.gz VZDZITSSPCKFPV-UHFFFAOYSA-N 0 0 331.824 3.900 10 0 EHAERN Cc1ccc(C[C@H](C)c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)cc1 ZINC000329707473 1031889959 /nfs/dbraw/zinc/88/99/59/1031889959.db2.gz KNZFOJLSQUDJBK-JQHSSLGASA-N 0 0 341.455 3.650 10 0 EHAERN Clc1cccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000329704226 1031892350 /nfs/dbraw/zinc/89/23/50/1031892350.db2.gz IQTMMDWAFBHOIJ-YHUYYLMFSA-N 0 0 345.830 3.530 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cn(C)nc3-c3cccs3)CCO2)o1 ZINC000180644006 1031895574 /nfs/dbraw/zinc/89/55/74/1031895574.db2.gz HTHFMHFEBHMSSE-MRXNPFEDSA-N 0 0 343.452 3.624 10 0 EHAERN Cc1occc1-c1cc(NC2CC(c3ccccc3)C2)n(CCO)n1 ZINC000180712405 1031901614 /nfs/dbraw/zinc/90/16/14/1031901614.db2.gz KNWDHPZKXVBEMF-UHFFFAOYSA-N 0 0 337.423 3.802 10 0 EHAERN O=C(CC1CCC(C(F)(F)F)CC1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000180738774 1031904645 /nfs/dbraw/zinc/90/46/45/1031904645.db2.gz RQXMHJNZLRLZSI-OLTDWBEKSA-N 0 0 341.373 3.520 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3nc4ccccc4n3C(F)F)CCO2)o1 ZINC000159205777 1031938653 /nfs/dbraw/zinc/93/86/53/1031938653.db2.gz ACTHPTBRDJMBBF-MRXNPFEDSA-N 0 0 347.365 3.906 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NCCCCOC(C)C)C2)cc1 ZINC000181946860 1032044813 /nfs/dbraw/zinc/04/48/13/1032044813.db2.gz IYDUKPNDLMXJQX-FUHWJXTLSA-N 0 0 348.487 3.788 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000105199504 1033407465 /nfs/dbraw/zinc/40/74/65/1033407465.db2.gz JGRJYAJWBIJBQQ-CQSZACIVSA-N 0 0 330.428 3.850 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3ncon3)c2)s1 ZINC000101525996 1033739100 /nfs/dbraw/zinc/73/91/00/1033739100.db2.gz ADGPHLPVGUWWQT-UHFFFAOYSA-N 0 0 341.392 3.708 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCC(=O)C(C)(C)C)cc1 ZINC000083120405 1033848942 /nfs/dbraw/zinc/84/89/42/1033848942.db2.gz BWMDPCGVFJWHCK-INIZCTEOSA-N 0 0 349.496 3.707 10 0 EHAERN CC(C)CC(C)(C)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000084578993 1033918797 /nfs/dbraw/zinc/91/87/97/1033918797.db2.gz HKWHIKOMAAMPIN-UHFFFAOYSA-N 0 0 336.520 3.700 10 0 EHAERN C[C@@H]1CC(CNC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C[C@@H](C)O1 ZINC000282079079 1034057210 /nfs/dbraw/zinc/05/72/10/1034057210.db2.gz ZWYQCIYQQYTNTO-CPUCHLNUSA-N 0 0 346.471 3.792 10 0 EHAERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccncc2)cc1 ZINC000086340130 1034072472 /nfs/dbraw/zinc/07/24/72/1034072472.db2.gz GICYGZRTLRLGKF-HUUCEWRRSA-N 0 0 349.438 3.697 10 0 EHAERN O=C(NCc1cscn1)NCc1ccccc1Oc1ccccc1 ZINC000102008380 1034372531 /nfs/dbraw/zinc/37/25/31/1034372531.db2.gz UNHAYVVCDZIFNL-UHFFFAOYSA-N 0 0 339.420 3.935 10 0 EHAERN Cc1cnccc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000121390868 1034852359 /nfs/dbraw/zinc/85/23/59/1034852359.db2.gz WWXMIVNENAERRD-UHFFFAOYSA-N 0 0 328.391 3.638 10 0 EHAERN O=C(Nc1ccc(Cl)cc1OC(F)F)[C@H]1CCCn2ccnc21 ZINC000186021915 1035567704 /nfs/dbraw/zinc/56/77/04/1035567704.db2.gz RWRLLILXTJOXKY-JTQLQIEISA-N 0 0 341.745 3.654 10 0 EHAERN C[C@@]1(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)CC1(Cl)Cl ZINC000186179537 1035597490 /nfs/dbraw/zinc/59/74/90/1035597490.db2.gz ZVGUVCIKBDPXQV-XPTSAGLGSA-N 0 0 334.193 3.865 10 0 EHAERN CC(C)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186657199 1035679056 /nfs/dbraw/zinc/67/90/56/1035679056.db2.gz MIAPKEUENCRJII-CQSZACIVSA-N 0 0 344.459 3.954 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2CCC(=O)c2ccc(F)cc2F)no1 ZINC000186908254 1035719162 /nfs/dbraw/zinc/71/91/62/1035719162.db2.gz SHMSWDFRKQNMEB-OAHLLOKOSA-N 0 0 349.381 3.881 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000186950182 1035726936 /nfs/dbraw/zinc/72/69/36/1035726936.db2.gz SGQHAMZMYLWTFI-MRXNPFEDSA-N 0 0 347.365 3.879 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(-n3ccnc3)c2)cs1 ZINC000187005622 1035738344 /nfs/dbraw/zinc/73/83/44/1035738344.db2.gz URCKFVSYLYUXQC-KRWDZBQOSA-N 0 0 338.436 3.615 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)co1 ZINC000186963238 1035754227 /nfs/dbraw/zinc/75/42/27/1035754227.db2.gz CTXINNFZIXJXMC-MRXNPFEDSA-N 0 0 335.407 3.998 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(-n3cccn3)c2)cs1 ZINC000187122831 1035765230 /nfs/dbraw/zinc/76/52/30/1035765230.db2.gz ZICRXPZPUWEHAR-KRWDZBQOSA-N 0 0 338.436 3.615 10 0 EHAERN C[C@H](CCc1ccc(O)cc1)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000187470296 1035829533 /nfs/dbraw/zinc/82/95/33/1035829533.db2.gz NDAJZRKBQMZBSK-CYBMUJFWSA-N 0 0 325.412 3.803 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000188093547 1035893021 /nfs/dbraw/zinc/89/30/21/1035893021.db2.gz FDWBHQGTJFMIKC-HNNXBMFYSA-N 0 0 342.439 3.853 10 0 EHAERN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C3)c1 ZINC000188781475 1035972661 /nfs/dbraw/zinc/97/26/61/1035972661.db2.gz JZNILYNDOBOVHV-LJQANCHMSA-N 0 0 334.419 3.775 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000332711317 1036008063 /nfs/dbraw/zinc/00/80/63/1036008063.db2.gz MHELAWQKZGSUAH-LZBKUMLDSA-N 0 0 343.471 3.570 10 0 EHAERN C[C@@H](C(=O)N1CC2(CCOCC2)c2ccccc21)c1cccs1 ZINC000189817679 1036149569 /nfs/dbraw/zinc/14/95/69/1036149569.db2.gz FUFREZSXOHVSFN-CQSZACIVSA-N 0 0 327.449 3.947 10 0 EHAERN C[C@@]1(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCCOC1 ZINC000332792622 1036160425 /nfs/dbraw/zinc/16/04/25/1036160425.db2.gz FFXKNPUGYSFQBG-QFBILLFUSA-N 0 0 344.455 3.691 10 0 EHAERN FC(F)Oc1ccccc1CN1CCC(Nc2nccs2)CC1 ZINC000189951493 1036166690 /nfs/dbraw/zinc/16/66/90/1036166690.db2.gz FZXADKFWMMJHPF-UHFFFAOYSA-N 0 0 339.411 3.821 10 0 EHAERN Cc1cccc(OCCc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c1 ZINC000190388658 1036231184 /nfs/dbraw/zinc/23/11/84/1036231184.db2.gz YGTAJEMBPCSNLY-RDJZCZTQSA-N 0 0 330.428 3.918 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000190635540 1036271094 /nfs/dbraw/zinc/27/10/94/1036271094.db2.gz ZKXKXZMARKTFCA-ZDUSSCGKSA-N 0 0 336.313 3.662 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCOCc1ccccc1 ZINC000190660689 1036271603 /nfs/dbraw/zinc/27/16/03/1036271603.db2.gz HMGFOESFORWQCT-SFHVURJKSA-N 0 0 325.408 3.542 10 0 EHAERN CC(=O)Nc1ccccc1CN1CC2(CCOCC2)c2ccccc21 ZINC000191615767 1036399368 /nfs/dbraw/zinc/39/93/68/1036399368.db2.gz XRSSMXUGFMDNRR-UHFFFAOYSA-N 0 0 336.435 3.713 10 0 EHAERN CCCn1c(C)nnc1CN1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191680617 1036406174 /nfs/dbraw/zinc/40/61/74/1036406174.db2.gz WKRPKGOKNZUKQF-CQSZACIVSA-N 0 0 334.414 3.654 10 0 EHAERN O=C(NC[C@H]1CC=CCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000191687898 1036432092 /nfs/dbraw/zinc/43/20/92/1036432092.db2.gz PDMGQYCLTLGUFG-INIZCTEOSA-N 0 0 326.440 3.621 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCC(=O)OC(C)(C)C)C2)cc1 ZINC000192316240 1036495978 /nfs/dbraw/zinc/49/59/78/1036495978.db2.gz HRFROKKJZFJFKX-GOEBONIOSA-N 0 0 347.455 3.522 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnc([C@H]2CCCO2)s1 ZINC000089658314 1036551946 /nfs/dbraw/zinc/55/19/46/1036551946.db2.gz DMAQGVNCGDWMLW-HBNTYKKESA-N 0 0 348.390 3.846 10 0 EHAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157820659 1036629278 /nfs/dbraw/zinc/62/92/78/1036629278.db2.gz AGKLZQFKABXUAF-UWWQBHOKSA-N 0 0 341.451 3.945 10 0 EHAERN Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)s1 ZINC000102735747 1036757296 /nfs/dbraw/zinc/75/72/96/1036757296.db2.gz UBPORNLMLSNFNW-SJKOYZFVSA-N 0 0 342.464 3.923 10 0 EHAERN COc1ccc([C@@H](C)NC(=O)[C@H]2CCOc3ccccc32)cc1F ZINC000102849179 1036778830 /nfs/dbraw/zinc/77/88/30/1036778830.db2.gz IKKHCTOPJXGDAT-DOMZBBRYSA-N 0 0 329.371 3.578 10 0 EHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000103076672 1036832704 /nfs/dbraw/zinc/83/27/04/1036832704.db2.gz ZWHMSMPEDPVEQH-AWEZNQCLSA-N 0 0 349.352 3.960 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@H]1CCOC2(CCCC2)C1 ZINC000133041220 1036921485 /nfs/dbraw/zinc/92/14/85/1036921485.db2.gz LZYXLMCJCLRULA-RUXDESIVSA-N 0 0 348.409 3.899 10 0 EHAERN CCC(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 ZINC000003611640 1037028168 /nfs/dbraw/zinc/02/81/68/1037028168.db2.gz KBAIJKMLPIQFAL-UHFFFAOYSA-N 0 0 331.799 3.628 10 0 EHAERN CC(C)NC(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000104836357 1037113311 /nfs/dbraw/zinc/11/33/11/1037113311.db2.gz QAITXVOJKRXECR-GOSISDBHSA-N 0 0 336.863 3.602 10 0 EHAERN Cc1ccsc1C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000103975118 1037143193 /nfs/dbraw/zinc/14/31/93/1037143193.db2.gz MJULZPBGDOCOMK-AWEZNQCLSA-N 0 0 332.444 3.715 10 0 EHAERN CN(CCCOc1cccc(Cl)c1)Cc1nc(-c2ccoc2)no1 ZINC000105608269 1037204100 /nfs/dbraw/zinc/20/41/00/1037204100.db2.gz BBWXNAZHPGGJSX-UHFFFAOYSA-N 0 0 347.802 3.884 10 0 EHAERN Cc1cc(C)c(C[S@@](=O)Cc2nc(-c3ccoc3)no2)c(C)c1 ZINC000105698678 1037239571 /nfs/dbraw/zinc/23/95/71/1037239571.db2.gz IMEUMEFPGIHQSL-QHCPKHFHSA-N 0 0 330.409 3.704 10 0 EHAERN COc1ccc(-c2cnc(C[S@@](=O)Cc3csc(C)n3)o2)cc1 ZINC000105702187 1037243535 /nfs/dbraw/zinc/24/35/35/1037243535.db2.gz HWYUMSNMSOULKQ-HSZRJFAPSA-N 0 0 348.449 3.564 10 0 EHAERN C[C@H](NC(=O)N1CCC(C)(O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000177466653 1037542666 /nfs/dbraw/zinc/54/26/66/1037542666.db2.gz WPPYYMVTAIKMSR-VIFPVBQESA-N 0 0 349.233 3.750 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1sccc1OC(F)F ZINC000104365149 1037595907 /nfs/dbraw/zinc/59/59/07/1037595907.db2.gz QPZLLMQNNDMNRH-UHFFFAOYSA-N 0 0 337.307 3.652 10 0 EHAERN O=C(NCc1cscn1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000105371062 1037601550 /nfs/dbraw/zinc/60/15/50/1037601550.db2.gz UKCLRJAPSUEHOP-IBGZPJMESA-N 0 0 349.459 3.563 10 0 EHAERN O=C1NCCCC[C@@H]1SCc1ccc(OCC(F)(F)F)cc1 ZINC000105632994 1037602839 /nfs/dbraw/zinc/60/28/39/1037602839.db2.gz AFOBFSSKIKRXQX-ZDUSSCGKSA-N 0 0 333.375 3.530 10 0 EHAERN Cc1cc(N2CCC[C@@H](c3nccs3)C2)nc(-c2ccncc2)n1 ZINC000112078502 1037749397 /nfs/dbraw/zinc/74/93/97/1037749397.db2.gz QBMCNSFJKFBZQN-OAHLLOKOSA-N 0 0 337.452 3.688 10 0 EHAERN C[C@H](c1ccc(F)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112351998 1037761366 /nfs/dbraw/zinc/76/13/66/1037761366.db2.gz RGZBNUCWMXAFDG-CQSZACIVSA-N 0 0 332.444 3.796 10 0 EHAERN CCc1csc([C@H]2CCCN(C(=O)[C@]3(C)CC3(Cl)Cl)C2)n1 ZINC000113206361 1037779438 /nfs/dbraw/zinc/77/94/38/1037779438.db2.gz LVYHMANFFHJFQP-HZMBPMFUSA-N 0 0 347.311 3.995 10 0 EHAERN CC(C)Oc1ncccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114809987 1037810788 /nfs/dbraw/zinc/81/07/88/1037810788.db2.gz ONUUGZHWUQZPMN-ZDUSSCGKSA-N 0 0 346.456 3.737 10 0 EHAERN COCc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114808932 1037811806 /nfs/dbraw/zinc/81/18/06/1037811806.db2.gz UCERWXHVVNUGDX-CYBMUJFWSA-N 0 0 331.441 3.701 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000117591226 1037855186 /nfs/dbraw/zinc/85/51/86/1037855186.db2.gz YUYABNYTHHFFGX-MGPUTAFESA-N 0 0 348.402 3.768 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117652088 1037858796 /nfs/dbraw/zinc/85/87/96/1037858796.db2.gz CTCHCMHEEGRWBF-XIKOKIGWSA-N 0 0 327.380 3.597 10 0 EHAERN O=C(CN1CC=C(c2cccs2)CC1)Nc1cc(F)ccc1F ZINC000117894004 1037863269 /nfs/dbraw/zinc/86/32/69/1037863269.db2.gz CLZZBLLRSLHLBK-UHFFFAOYSA-N 0 0 334.391 3.754 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccncc3C)C2)cc1 ZINC000122049427 1037974961 /nfs/dbraw/zinc/97/49/61/1037974961.db2.gz HNLMTRAKZXZTGD-GOEBONIOSA-N 0 0 325.412 3.809 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC(OC2CCCC2)CC1 ZINC000195263030 1038841563 /nfs/dbraw/zinc/84/15/63/1038841563.db2.gz HFMSZGGJGLCPHE-GOSISDBHSA-N 0 0 344.455 3.643 10 0 EHAERN CC(=O)NC1(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CCCCC1 ZINC000125052428 1039132021 /nfs/dbraw/zinc/13/20/21/1039132021.db2.gz BXBVCNALEIIKIO-KBXCAEBGSA-N 0 0 328.456 3.580 10 0 EHAERN Cc1ccc2c(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)coc2c1C ZINC000151080019 1039725271 /nfs/dbraw/zinc/72/52/71/1039725271.db2.gz VXBDHMOMPBTCBF-UWJYYQICSA-N 0 0 341.451 3.746 10 0 EHAERN O=C(c1ccc(Br)s1)N1CCC[C@H]1c1nccs1 ZINC000364241323 1040551232 /nfs/dbraw/zinc/55/12/32/1040551232.db2.gz SOQFPRFCASAOQK-QMMMGPOBSA-N 0 0 343.271 3.944 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249037992 1040894777 /nfs/dbraw/zinc/89/47/77/1040894777.db2.gz YDIWFSVVXRGOFV-IUIKQTSFSA-N 0 0 335.835 3.597 10 0 EHAERN O=C(Nc1cccc2c1CCO2)NC1CCC(C(F)(F)F)CC1 ZINC000333063493 1041180089 /nfs/dbraw/zinc/18/00/89/1041180089.db2.gz SWNKAMPKGOTZNO-UHFFFAOYSA-N 0 0 328.334 3.864 10 0 EHAERN O=C(NC[C@@H]1CCCC1(F)F)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333158870 1041384819 /nfs/dbraw/zinc/38/48/19/1041384819.db2.gz GWRIXTCDRATDIA-RWMBFGLXSA-N 0 0 344.427 3.703 10 0 EHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)[C@]1(C)CC1(Cl)Cl)CCC2 ZINC000110526067 1041515939 /nfs/dbraw/zinc/51/59/39/1041515939.db2.gz WEUSLRUODGJZPL-MFKMUULPSA-N 0 0 333.284 3.871 10 0 EHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)[C@@]1(C)CC1(Cl)Cl)CCC2 ZINC000110526074 1041515972 /nfs/dbraw/zinc/51/59/72/1041515972.db2.gz WEUSLRUODGJZPL-ZWNOBZJWSA-N 0 0 333.284 3.871 10 0 EHAERN C[C@H](NC(=O)N(C)C1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000043481671 1041576231 /nfs/dbraw/zinc/57/62/31/1041576231.db2.gz OIKAXCPNNRYHEU-BBBYJDLNSA-N 0 0 332.444 3.739 10 0 EHAERN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000330257043 1042599147 /nfs/dbraw/zinc/59/91/47/1042599147.db2.gz QLPPTYPTZKRCRA-JLSDUUJJSA-N 0 0 330.428 3.651 10 0 EHAERN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CC[C@H]4CCC[C@@H]43)ccc12 ZINC000330257260 1042600439 /nfs/dbraw/zinc/60/04/39/1042600439.db2.gz QPDIFWOTTIPIHZ-BEFAXECRSA-N 0 0 346.434 3.744 10 0 EHAERN COc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c(F)c1 ZINC000162481233 1042730160 /nfs/dbraw/zinc/73/01/60/1042730160.db2.gz IUAPVHVRZXGSGX-SGTLLEGYSA-N 0 0 340.402 3.701 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(C)cc1 ZINC000408351859 1043611741 /nfs/dbraw/zinc/61/17/41/1043611741.db2.gz JNPUSPONBLIVJF-CMKODMSKSA-N 0 0 330.472 3.783 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1F ZINC000247646061 1043981640 /nfs/dbraw/zinc/98/16/40/1043981640.db2.gz OVQAHHPZUKRLPS-MPGHIAIKSA-N 0 0 344.434 3.684 10 0 EHAERN CCOc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1C ZINC000268898630 1128724887 /nfs/dbraw/zinc/72/48/87/1128724887.db2.gz KZMGOOHDYMIUQC-BEFAXECRSA-N 0 0 332.444 3.553 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCc3c2cnn3C)c2ccccc21 ZINC000269854725 1128795603 /nfs/dbraw/zinc/79/56/03/1128795603.db2.gz UVLFYRFLGOJMPL-XWIAVFTESA-N 0 0 338.455 3.735 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc21 ZINC000269873696 1128795800 /nfs/dbraw/zinc/79/58/00/1128795800.db2.gz VXBLLZLDICZTBR-RKVPGOIHSA-N 0 0 338.455 3.937 10 0 EHAERN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCc4cc(C)ccc43)C2)[nH]n1 ZINC000282555488 1131091173 /nfs/dbraw/zinc/09/11/73/1131091173.db2.gz XNPZNTHVAVTNFU-AEFFLSMTSA-N 0 0 338.455 3.603 10 0 EHAERN Cc1cc([C@H]2CCCN(C(=O)N[C@H]3CCc4cc(C)ccc43)C2)[nH]n1 ZINC000282555510 1131091787 /nfs/dbraw/zinc/09/17/87/1131091787.db2.gz XNPZNTHVAVTNFU-WMZOPIPTSA-N 0 0 338.455 3.603 10 0 EHAERN Cc1ccc(CCC(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000103152534 1132507379 /nfs/dbraw/zinc/50/73/79/1132507379.db2.gz WVAXTNSGIRGLRR-YVMONPNESA-N 0 0 348.490 3.785 10 0 EHAERN Cc1nn2cc(CCCOC(=O)CCc3ccsc3)cnc2c1C ZINC000103817539 1133586191 /nfs/dbraw/zinc/58/61/91/1133586191.db2.gz NKOKCFVCHXECIU-UHFFFAOYSA-N 0 0 343.452 3.516 10 0 EHAERN CSc1cccc(N(C)S(=O)(=O)c2cccc3ncccc32)c1 ZINC000101924631 1135423781 /nfs/dbraw/zinc/42/37/81/1135423781.db2.gz OSVDAYLVVPIMRB-UHFFFAOYSA-N 0 0 344.461 3.782 10 0 EHAERN Cc1cc(C(=O)OCc2ccnc(Cl)c2)nn1-c1ccccc1 ZINC000101964718 1135434722 /nfs/dbraw/zinc/43/47/22/1135434722.db2.gz SZHUITPNRLNNSF-UHFFFAOYSA-N 0 0 327.771 3.586 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CCC3CCCC3)C2)o1 ZINC000102143069 1135464830 /nfs/dbraw/zinc/46/48/30/1135464830.db2.gz AQZHVNYQCHZOJE-KRWDZBQOSA-N 0 0 347.455 3.954 10 0 EHAERN COc1cc(OC)c(NCc2nc(-c3ccoc3)no2)cc1Cl ZINC000105606338 1135957458 /nfs/dbraw/zinc/95/74/58/1135957458.db2.gz ROJZIGAAKMTLFG-UHFFFAOYSA-N 0 0 335.747 3.612 10 0 EHAERN CC[C@@H](COC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 ZINC000105775470 1135976259 /nfs/dbraw/zinc/97/62/59/1135976259.db2.gz DTDJTVRZMCRATO-INIZCTEOSA-N 0 0 346.448 3.582 10 0 EHAERN COCCCOC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000103661438 1137466758 /nfs/dbraw/zinc/46/67/58/1137466758.db2.gz KMVDTYXJNWEABE-KGLIPLIRSA-N 0 0 331.437 3.926 10 0 EHAERN Cc1noc(C)c1CC(=O)OCCCc1ccc(OC(C)C)cc1 ZINC000103674633 1137470872 /nfs/dbraw/zinc/47/08/72/1137470872.db2.gz FUBYEQIPYNHPQV-UHFFFAOYSA-N 0 0 331.412 3.797 10 0 EHAERN COc1ccc(OC)c([C@@H](C)NCc2nc(-c3cccs3)no2)c1 ZINC000102695928 1137873730 /nfs/dbraw/zinc/87/37/30/1137873730.db2.gz YXEUSFDVTNYPGM-LLVKDONJSA-N 0 0 345.424 3.666 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)c(OC)c1OC ZINC000102954466 1137874590 /nfs/dbraw/zinc/87/45/90/1137874590.db2.gz UYCBALVFCQRYKE-CQSZACIVSA-N 0 0 334.416 3.509 10 0 EHAERN CC[C@H](C)Sc1ccc(NC(=O)NCCc2nc(C)no2)c(C)c1 ZINC000105026929 1137879930 /nfs/dbraw/zinc/87/99/30/1137879930.db2.gz IRKDUMRGKQVJPC-LBPRGKRZSA-N 0 0 348.472 3.941 10 0 EHAERN CC[C@H](NC(=O)N(C)CCOc1ccc(C)cc1)c1nc(C)cs1 ZINC000105305471 1137880661 /nfs/dbraw/zinc/88/06/61/1137880661.db2.gz IRWZQNROKSVEQD-INIZCTEOSA-N 0 0 347.484 3.931 10 0 EHAERN CC(C)(C)NC(=O)CSCc1nn(-c2ccccc2)c2c1CCC2 ZINC000105635994 1137881391 /nfs/dbraw/zinc/88/13/91/1137881391.db2.gz DEPGIQSWBCYZRE-UHFFFAOYSA-N 0 0 343.496 3.509 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCCC[C@H]2c2ncon2)cc1 ZINC000333322021 1138276595 /nfs/dbraw/zinc/27/65/95/1138276595.db2.gz UQKDMCDIEXBLHS-ULQDDVLXSA-N 0 0 325.412 3.625 10 0 EHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333330394 1138277858 /nfs/dbraw/zinc/27/78/58/1138277858.db2.gz CORBZZPQCXUMPL-HNNXBMFYSA-N 0 0 349.862 3.856 10 0 EHAERN C[C@@H]1CCCC[C@@H]1OCc1noc([C@@H]2CCCN2c2nccs2)n1 ZINC000333497102 1138297135 /nfs/dbraw/zinc/29/71/35/1138297135.db2.gz VQLJGPOPCYDPIH-RDBSUJKOSA-N 0 0 348.472 3.963 10 0 EHAERN CC[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333668432 1138317336 /nfs/dbraw/zinc/31/73/36/1138317336.db2.gz XSAVMNZRJGILFU-ZACQAIPSSA-N 0 0 344.455 3.690 10 0 EHAERN O=C(N[C@H]1CCCc2ccccc21)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333968893 1138355833 /nfs/dbraw/zinc/35/58/33/1138355833.db2.gz UDRKHGKVDUKQNR-SLFFLAALSA-N 0 0 342.483 3.647 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCSC(F)(F)F)cs1 ZINC000186324999 1140198304 /nfs/dbraw/zinc/19/83/04/1140198304.db2.gz WCXNZEJSPRZEPC-JTQLQIEISA-N 0 0 339.408 3.551 10 0 EHAERN COc1ccc(F)cc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189264357 1140331571 /nfs/dbraw/zinc/33/15/71/1140331571.db2.gz LDZNAIJXLKCIJU-AWEZNQCLSA-N 0 0 335.404 3.968 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2ccc(N3CCCC3)nc2)cs1 ZINC000189934357 1140372855 /nfs/dbraw/zinc/37/28/55/1140372855.db2.gz RYFSXHYWUUSEJD-KRWDZBQOSA-N 0 0 328.485 3.784 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Cl)cc2Cl)C1 ZINC000190101359 1140386856 /nfs/dbraw/zinc/38/68/56/1140386856.db2.gz CQGUFKZDEAINGG-TZMCWYRMSA-N 0 0 342.226 3.647 10 0 EHAERN C[N@H+](Cc1csc(Br)c1)CC1(C(=O)[O-])CCCCC1 ZINC000051290422 214086069 /nfs/dbraw/zinc/08/60/69/214086069.db2.gz NOXNBRYSYBSPOB-UHFFFAOYSA-N 0 0 346.290 3.978 10 0 EHAERN COc1ccc([C@@H](O)Cc2ccc(Br)s2)cc1OC ZINC000053781542 214197503 /nfs/dbraw/zinc/19/75/03/214197503.db2.gz QHUIVGVQPXQHNC-NSHDSACASA-N 0 0 343.242 3.804 10 0 EHAERN Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000003913576 210094319 /nfs/dbraw/zinc/09/43/19/210094319.db2.gz ZVIJEARYXZKJCJ-UHFFFAOYSA-N 0 0 334.803 3.600 10 0 EHAERN CCS[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000102308948 219193578 /nfs/dbraw/zinc/19/35/78/219193578.db2.gz JBLPBDSENSVAIL-SNVBAGLBSA-N 0 0 337.750 3.744 10 0 EHAERN COc1ccc([C@H](C)NC(=O)c2ccc3ccccc3n2)cc1OC ZINC000045382442 213732204 /nfs/dbraw/zinc/73/22/04/213732204.db2.gz NDMHDUGFLSIQOU-ZDUSSCGKSA-N 0 0 336.391 3.743 10 0 EHAERN FC1(F)Oc2ccc(Nc3ncccc3Br)cc2O1 ZINC000103985795 219336260 /nfs/dbraw/zinc/33/62/60/219336260.db2.gz SLDKQGYZVIFDOB-UHFFFAOYSA-N 0 0 329.100 3.909 10 0 EHAERN O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CCCCC1 ZINC000040883228 213397656 /nfs/dbraw/zinc/39/76/56/213397656.db2.gz QLGCSIYTJCKFIP-UHFFFAOYSA-N 0 0 349.386 3.973 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Oc3ccc(Cl)c(C)c3)c2N)n1 ZINC000040798222 213388462 /nfs/dbraw/zinc/38/84/62/213388462.db2.gz SKKBYHFDCXILEK-UHFFFAOYSA-N 0 0 329.791 3.615 10 0 EHAERN Nc1c(NCc2ccco2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040761393 213384634 /nfs/dbraw/zinc/38/46/34/213384634.db2.gz HEBVJASIIFZTJS-UHFFFAOYSA-N 0 0 333.754 3.800 10 0 EHAERN Cc1ccc2cccc(Nc3ncnc(Oc4cccnc4)c3N)c2n1 ZINC000040758724 213383328 /nfs/dbraw/zinc/38/33/28/213383328.db2.gz MACBPCSADBDETC-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN CCOc1ccccc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040757930 213383230 /nfs/dbraw/zinc/38/32/30/213383230.db2.gz UANKLMOBEVPFBI-UHFFFAOYSA-N 0 0 335.411 3.969 10 0 EHAERN CCOc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687376 213369437 /nfs/dbraw/zinc/36/94/37/213369437.db2.gz MZGHECYZARIPJT-UHFFFAOYSA-N 0 0 347.422 3.895 10 0 EHAERN Cc1c(Cl)ccc2c(O)c(C(=O)NCCc3cccs3)cnc12 ZINC000040359440 213293875 /nfs/dbraw/zinc/29/38/75/213293875.db2.gz LGZUWKWJUDGFQT-UHFFFAOYSA-N 0 0 346.839 3.524 10 0 EHAERN COc1ccc([C@H](O)c2ccc(Br)s2)c(OC)c1 ZINC000040248113 213284751 /nfs/dbraw/zinc/28/47/51/213284751.db2.gz DQPMRMLWCXTMNC-ZDUSSCGKSA-N 0 0 329.215 3.610 10 0 EHAERN Cc1c2nc(NCc3ccc(C(N)=O)cc3)sc2c(C)c(O)c1C ZINC000039129808 213232011 /nfs/dbraw/zinc/23/20/11/213232011.db2.gz WVCIPRKQKCTRGD-UHFFFAOYSA-N 0 0 341.436 3.638 10 0 EHAERN COC(=O)[C@](C)(NC1CCCCC1)c1cccc(Br)c1 ZINC000037971910 213177914 /nfs/dbraw/zinc/17/79/14/213177914.db2.gz KTAJSFKWARLRBD-MRXNPFEDSA-N 0 0 340.261 3.760 10 0 EHAERN COC(=O)[C@](C)(NC1CCCCC1)c1ccccc1Br ZINC000037971919 213177672 /nfs/dbraw/zinc/17/76/72/213177672.db2.gz SQBVARYDQHKKLV-MRXNPFEDSA-N 0 0 340.261 3.760 10 0 EHAERN CCOC(=O)[C@](CC)(NCC1CC1)c1ccc(Br)cc1 ZINC000037968042 213177755 /nfs/dbraw/zinc/17/77/55/213177755.db2.gz UXXXCUAKPYGXIC-MRXNPFEDSA-N 0 0 340.261 3.617 10 0 EHAERN NC(=O)[C@H](Nc1ccccc1Cl)c1ccccc1Br ZINC000037942385 213175111 /nfs/dbraw/zinc/17/51/11/213175111.db2.gz YCNBDPFNVASINS-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN CC[C@H](C)C[C@](CC)(Nc1ccccc1Br)C(N)=O ZINC000037943985 213174966 /nfs/dbraw/zinc/17/49/66/213174966.db2.gz UVFZLIQTVFGJEI-NHYWBVRUSA-N 0 0 327.266 3.931 10 0 EHAERN CCn1cc(Br)cc1C(=O)Nc1cc(C(C)C)no1 ZINC000037843775 213169836 /nfs/dbraw/zinc/16/98/36/213169836.db2.gz HIYXOKLWPSSKBW-UHFFFAOYSA-N 0 0 326.194 3.634 10 0 EHAERN CCN(Cc1ccco1)C(=O)c1ccc(F)cc1Br ZINC000037502048 213151683 /nfs/dbraw/zinc/15/16/83/213151683.db2.gz HKVSZKKRNKBGRQ-UHFFFAOYSA-N 0 0 326.165 3.844 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2F)o1 ZINC000037493714 213149395 /nfs/dbraw/zinc/14/93/95/213149395.db2.gz UJUQWZKRRYBYHA-VIFPVBQESA-N 0 0 326.165 3.981 10 0 EHAERN Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2Cl)cn1 ZINC000037192296 213135416 /nfs/dbraw/zinc/13/54/16/213135416.db2.gz XQLODIHXACCDGF-UHFFFAOYSA-N 0 0 328.224 3.701 10 0 EHAERN CN(C(=O)c1cn2cccnc2n1)c1ccccc1Oc1ccccc1 ZINC000069920346 215632016 /nfs/dbraw/zinc/63/20/16/215632016.db2.gz MRHQBKABOARHAC-UHFFFAOYSA-N 0 0 344.374 3.798 10 0 EHAERN Nc1ccccc1NC(=O)CSc1ccccc1Br ZINC000037381115 213143077 /nfs/dbraw/zinc/14/30/77/213143077.db2.gz WWUSJGZSKSYVQO-UHFFFAOYSA-N 0 0 337.242 3.762 10 0 EHAERN Brc1csc(CNc2ccc(-n3cccn3)nc2)c1 ZINC000037019943 213129898 /nfs/dbraw/zinc/12/98/98/213129898.db2.gz FHWAWYNZRUFJGQ-UHFFFAOYSA-N 0 0 335.230 3.703 10 0 EHAERN COc1cc(CNc2cc(Br)ccc2F)ccc1O ZINC000036751567 213116249 /nfs/dbraw/zinc/11/62/49/213116249.db2.gz PDSBEUWOZPTNAT-UHFFFAOYSA-N 0 0 326.165 3.915 10 0 EHAERN COc1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1OC ZINC000035636621 213044296 /nfs/dbraw/zinc/04/42/96/213044296.db2.gz ASGQPSLNQQAJOW-UHFFFAOYSA-N 0 0 349.427 3.534 10 0 in-vitro EHAERN Cc1c(N)cccc1COc1cccc(I)c1 ZINC000035649491 213044142 /nfs/dbraw/zinc/04/41/42/213044142.db2.gz CPGIDGRLHSMQLF-UHFFFAOYSA-N 0 0 339.176 3.761 10 0 EHAERN COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1 ZINC000035075438 213006367 /nfs/dbraw/zinc/00/63/67/213006367.db2.gz LAFUMJMKVVCEGP-UHFFFAOYSA-N 0 0 338.451 3.571 10 0 EHAERN NC(=O)c1ccccc1NC(=O)/C=C\c1c(Cl)cccc1Cl ZINC000033289631 212917507 /nfs/dbraw/zinc/91/75/07/212917507.db2.gz RKPDMZPXIYYKGR-HJWRWDBZSA-N 0 0 335.190 3.744 10 0 EHAERN N[C@@H](c1cc(Br)cc(Br)c1)C(F)(F)F ZINC000072190916 216068194 /nfs/dbraw/zinc/06/81/94/216068194.db2.gz PNRZORCSHBAQIY-ZETCQYMHSA-N 0 0 332.945 3.774 10 0 EHAERN Cc1ccsc1CN1CC(=O)N(c2ccc(Cl)cc2)C1=S ZINC000000216364 209489491 /nfs/dbraw/zinc/48/94/91/209489491.db2.gz VVLWCGKSQHFLQJ-UHFFFAOYSA-N 0 0 336.869 3.844 10 0 EHAERN CCCCCN1CN(c2cccc(C)c2)c2nc(C)c(C)c(=O)n2C1 ZINC000072442635 216234998 /nfs/dbraw/zinc/23/49/98/216234998.db2.gz KGYKWGGWDRVZTD-UHFFFAOYSA-N 0 0 340.471 3.727 10 0 EHAERN COC(=O)[C@H](NCc1cccs1)c1ccccc1Br ZINC000037966921 213175882 /nfs/dbraw/zinc/17/58/82/213175882.db2.gz HORUIZJSOMOYCE-CYBMUJFWSA-N 0 0 340.242 3.515 10 0 EHAERN CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073654662 216407397 /nfs/dbraw/zinc/40/73/97/216407397.db2.gz JJDJFNDGNPBIQU-KBPBESRZSA-N 0 0 342.480 3.889 10 0 EHAERN Nc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1Cl ZINC000022177653 212280678 /nfs/dbraw/zinc/28/06/78/212280678.db2.gz PZARRXYOEPYGKI-UHFFFAOYSA-N 0 0 339.620 3.866 10 0 EHAERN Cc1n2c(c[n+]1[O-])CN=C(c1ccccc1F)c1cc(Cl)ccc1-2 ZINC000022064200 212274006 /nfs/dbraw/zinc/27/40/06/212274006.db2.gz QVPQNEQZMOGERL-UHFFFAOYSA-N 0 0 341.773 3.563 10 0 in-vitro EHAERN Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)o1 ZINC000021839820 212256238 /nfs/dbraw/zinc/25/62/38/212256238.db2.gz UWRUAKOGZCWFKT-LLVKDONJSA-N 0 0 338.201 3.607 10 0 EHAERN CCCCNC(=O)[C@H](C)Nc1c(C)cc(Br)cc1C ZINC000020420377 212128212 /nfs/dbraw/zinc/12/82/12/212128212.db2.gz BOPBFUSMWRDTOF-LBPRGKRZSA-N 0 0 327.266 3.783 10 0 EHAERN Cc1ccc(OCc2cc(C(N)=O)ccc2F)c(Br)c1 ZINC000020077684 212099704 /nfs/dbraw/zinc/09/97/04/212099704.db2.gz HOPGOIAYZVKLPD-UHFFFAOYSA-N 0 0 338.176 3.575 10 0 EHAERN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Br)s1 ZINC000019966974 212091320 /nfs/dbraw/zinc/09/13/20/212091320.db2.gz XQHFLIVQRAEOHL-UHFFFAOYSA-N 0 0 336.210 3.549 10 0 EHAERN COC(=O)c1c(C)nc(-c2cccc(Br)c2)[nH]c1=S ZINC000019514573 212035598 /nfs/dbraw/zinc/03/55/98/212035598.db2.gz XRQRNNGDRBOASV-UHFFFAOYSA-N 0 0 339.214 3.664 10 0 EHAERN COc1ccc(CSc2ncccc2N)cc1Br ZINC000049596398 214021922 /nfs/dbraw/zinc/02/19/22/214021922.db2.gz OJKQLCWKGVDFJN-UHFFFAOYSA-N 0 0 325.231 3.727 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C)c1ccccc1Br ZINC000078519854 217067802 /nfs/dbraw/zinc/06/78/02/217067802.db2.gz CJWCIVOJDVZNAD-COPLHBTASA-N 0 0 325.250 3.998 10 0 EHAERN COc1cccc2c1C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000079027424 217176675 /nfs/dbraw/zinc/17/66/75/217176675.db2.gz GQKPDPRVAFSCRM-UHFFFAOYSA-N 0 0 331.412 3.550 10 0 EHAERN CC(=O)c1ccc(-c2ccccc2)n1S(=O)(=O)c1ccc(C)cc1 ZINC000090395646 217926994 /nfs/dbraw/zinc/92/69/94/217926994.db2.gz VBLJBXRZMJSCOF-UHFFFAOYSA-N 0 0 339.416 3.903 10 0 EHAERN CCOc1cc(C=O)ccc1Oc1nc(SC)nc2c1CCC2 ZINC000011849596 211258226 /nfs/dbraw/zinc/25/82/26/211258226.db2.gz IZNNQOAZUBQATO-UHFFFAOYSA-N 0 0 330.409 3.691 10 0 EHAERN COc1ccc(-c2cc(-c3ccco3)c3c(N)ncnc3n2)c(OC)c1 ZINC000009694558 211116880 /nfs/dbraw/zinc/11/68/80/211116880.db2.gz RDGNPRCKGJNQFA-UHFFFAOYSA-N 0 0 348.362 3.551 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1cnc2ccccc2n1 ZINC000095086610 218277509 /nfs/dbraw/zinc/27/75/09/218277509.db2.gz KXHKGNMXAODRSZ-CQSZACIVSA-N 0 0 343.427 3.798 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccccc2[nH]1 ZINC000095086619 218277619 /nfs/dbraw/zinc/27/76/19/218277619.db2.gz MBASCFSERDLLRL-ZDUSSCGKSA-N 0 0 331.416 3.731 10 0 EHAERN Cc1ccccc1Cn1c2ccccc2nc1N1CCCC[C@H]1CO ZINC000095090265 218280158 /nfs/dbraw/zinc/28/01/58/218280158.db2.gz WJOYGTJAUMGQQQ-SFHVURJKSA-N 0 0 335.451 3.744 10 0 EHAERN Cc1ccnc(OCCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090550 218280224 /nfs/dbraw/zinc/28/02/24/218280224.db2.gz OJDQMBDLEKPHSP-HNNXBMFYSA-N 0 0 335.448 3.591 10 0 EHAERN C[C@@H](Sc1nc2ccccc2n1C)C(=O)N[C@@H](C)c1ccccc1 ZINC000008808041 211007383 /nfs/dbraw/zinc/00/73/83/211007383.db2.gz JCIJKYXGIQGPDI-UONOGXRCSA-N 0 0 339.464 3.931 10 0 EHAERN FC(F)(F)c1ccc(OC2CC2)cc1I ZINC000095733913 218446501 /nfs/dbraw/zinc/44/65/01/218446501.db2.gz WHDZTMXZSNHQTL-UHFFFAOYSA-N 0 0 328.071 3.851 10 0 EHAERN CCOC(=O)N[C@H](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000504746298 257704880 /nfs/dbraw/zinc/70/48/80/257704880.db2.gz AVPRDXYGWYKLQK-OAHLLOKOSA-N 0 0 343.423 3.951 10 0 EHAERN CCOC(=O)N[C@@H](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000504746297 257705169 /nfs/dbraw/zinc/70/51/69/257705169.db2.gz AVPRDXYGWYKLQK-HNNXBMFYSA-N 0 0 343.423 3.951 10 0 EHAERN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccnc1Cl ZINC000299889126 257917215 /nfs/dbraw/zinc/91/72/15/257917215.db2.gz DTJPYVDSXFZJDH-UHFFFAOYSA-N 0 0 329.784 3.807 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3CC34CCOCC4)o2)cc1 ZINC000299748514 258007900 /nfs/dbraw/zinc/00/79/00/258007900.db2.gz HIGWNXDSOQQSIE-ARFHVFGLSA-N 0 0 326.396 3.599 10 0 EHAERN CC(C)(C)C1CCN(c2ncc(Br)cc2CO)CC1 ZINC000050347808 534558608 /nfs/dbraw/zinc/55/86/08/534558608.db2.gz PXSJUJDZCFYJLM-UHFFFAOYSA-N 0 0 327.266 3.599 10 0 EHAERN C[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000027871612 524931000 /nfs/dbraw/zinc/93/10/00/524931000.db2.gz CFPZXZJWKHJPQI-DZGCQCFKSA-N 0 0 332.469 3.693 10 0 EHAERN C[C@@H](NC(=O)CCCc1ccc(Br)s1)[C@H]1CCCO1 ZINC000027881581 525084556 /nfs/dbraw/zinc/08/45/56/525084556.db2.gz PYHOLOWEXYYLTK-ZYHUDNBSSA-N 0 0 346.290 3.517 10 0 EHAERN C[C@@H](O)Cn1c2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000057326681 525844131 /nfs/dbraw/zinc/84/41/31/525844131.db2.gz HURPLSSUODVMHK-GFCCVEGCSA-N 0 0 338.436 3.586 10 0 EHAERN O=C(c1cccc2c1OCC(=O)N2)N1CCCC2(CCCCC2)CC1 ZINC000188571564 526783043 /nfs/dbraw/zinc/78/30/43/526783043.db2.gz YLJHCLYJDMDZPY-UHFFFAOYSA-N 0 0 342.439 3.594 10 0 EHAERN CCCn1c2ccccc2nc1NCCCNC(=O)C1CCCCC1 ZINC000034906852 563481363 /nfs/dbraw/zinc/48/13/63/563481363.db2.gz MMXSOKQKGLLERW-UHFFFAOYSA-N 0 0 342.487 3.945 10 0 EHAERN COc1ccc(-c2nc(Cl)nc(OC)c2Br)cc1 ZINC000090411262 563974928 /nfs/dbraw/zinc/97/49/28/563974928.db2.gz DORDQKNSZKEDQN-UHFFFAOYSA-N 0 0 329.581 3.577 10 0 EHAERN CCc1c(C)cc2nc(C3CC(F)(F)C3)nn2c1Br ZINC000725248187 563976241 /nfs/dbraw/zinc/97/62/41/563976241.db2.gz NAFFTKJDBQMWHA-UHFFFAOYSA-N 0 0 330.176 3.875 10 0 EHAERN CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1C(=O)OCc1ccccc1 ZINC000101738629 564013143 /nfs/dbraw/zinc/01/31/43/564013143.db2.gz KZZMJOKJLCEOBW-OAHLLOKOSA-N 0 0 331.412 3.519 10 0 EHAERN C[C@H]1Cc2nc(-c3ccc(OCc4ccccc4)cc3)cc(=O)n2C1 ZINC000536951781 564091744 /nfs/dbraw/zinc/09/17/44/564091744.db2.gz WSGWCIYRPMAURG-HNNXBMFYSA-N 0 0 332.403 3.682 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)n1nnc2cc(C)c(C)cc21 ZINC000048546932 564129370 /nfs/dbraw/zinc/12/93/70/564129370.db2.gz XLSKVARWZZVBGX-UHFFFAOYSA-N 0 0 330.775 3.790 10 0 EHAERN CCCC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685962101 564177236 /nfs/dbraw/zinc/17/72/36/564177236.db2.gz UMIXXVWGASKUEK-WMLDXEAASA-N 0 0 335.444 3.854 10 0 EHAERN C[C@@H]1CCN(Cc2cc(C(=O)[O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000711407849 977544859 /nfs/dbraw/zinc/54/48/59/977544859.db2.gz RSDKUVNCNQPXMH-OAHLLOKOSA-N 0 0 344.480 3.543 10 0 EHAERN O=C(c1cnc(-c2ccsc2)s1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000112280722 1015297718 /nfs/dbraw/zinc/29/77/18/1015297718.db2.gz AHDVUHPWDDIFEE-GFCCVEGCSA-N 0 0 344.465 3.962 10 0 EHAERN CC[C@@]1(c2ccc(N[C@H](C)c3ccoc3)cc2)CCC(=O)NC1=O ZINC000182740463 1032126095 /nfs/dbraw/zinc/12/60/95/1032126095.db2.gz PSBCZTWNIHVMOE-YJYMSZOUSA-N 0 0 326.396 3.537 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000246171461 1015789983 /nfs/dbraw/zinc/78/99/83/1015789983.db2.gz LKPUSMXKLPODSX-KFWWJZLASA-N 0 0 332.492 3.644 10 0 EHAERN Cc1ccc2c(c1)OCCC[C@@H]2Nc1cccc(NS(C)(=O)=O)c1 ZINC000182772785 1032128883 /nfs/dbraw/zinc/12/88/83/1032128883.db2.gz XFWPRYDXIDHJJC-KRWDZBQOSA-N 0 0 346.452 3.692 10 0 EHAERN CCn1cnnc1C1CCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000407963940 1016517648 /nfs/dbraw/zinc/51/76/48/1016517648.db2.gz FMNFCMSCLZNXJC-JKSUJKDBSA-N 0 0 346.519 3.857 10 0 EHAERN C[C@@H](CC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)C(C)(C)C ZINC000108771543 1016633588 /nfs/dbraw/zinc/63/35/88/1016633588.db2.gz LAMBRPADWOYQFD-HOTGVXAUSA-N 0 0 346.519 3.783 10 0 EHAERN c1coc([C@@H](NCc2cccnc2-n2ccnc2)c2ccccc2)c1 ZINC000183344463 1032162086 /nfs/dbraw/zinc/16/20/86/1032162086.db2.gz GPPBSDCFNKNBGF-IBGZPJMESA-N 0 0 330.391 3.740 10 0 EHAERN O=C(CCc1ccc2[nH]ccc2c1)Nc1cccc(-c2ncon2)c1 ZINC000183381099 1032164374 /nfs/dbraw/zinc/16/43/74/1032164374.db2.gz DGQVUTZCSBTKIX-UHFFFAOYSA-N 0 0 332.363 3.789 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)N2CCC(c3nc(C)cs3)CC2)CCO1 ZINC000183597045 1032209717 /nfs/dbraw/zinc/20/97/17/1032209717.db2.gz RIUFFCMDFJUWOR-HZPDHXFCSA-N 0 0 336.501 3.753 10 0 EHAERN Cn1cnc2cc(C(=O)N3CCC[C@H]3c3ccccc3Cl)cnc21 ZINC000183637073 1032214321 /nfs/dbraw/zinc/21/43/21/1032214321.db2.gz RMNSMESABORWES-INIZCTEOSA-N 0 0 340.814 3.599 10 0 EHAERN Cc1cccc([C@@H]2CCCCN2C(=O)NC2CCC(O)CC2)c1C ZINC000080630132 1032219058 /nfs/dbraw/zinc/21/90/58/1032219058.db2.gz BHYGZHCHDGSSAW-TVPLGVNVSA-N 0 0 330.472 3.844 10 0 EHAERN CCC[C@H]1C[C@H](C(=O)N2CCC(Nc3ccccc3F)CC2)CCO1 ZINC000184007751 1032223437 /nfs/dbraw/zinc/22/34/37/1032223437.db2.gz AQQGOQJWRKSPBA-WBVHZDCISA-N 0 0 348.462 3.824 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183885261 1032236234 /nfs/dbraw/zinc/23/62/34/1032236234.db2.gz BBOMROUGSUZPIO-WOJBJXKFSA-N 0 0 343.430 3.872 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1)c1ccncc1 ZINC000184391412 1032289403 /nfs/dbraw/zinc/28/94/03/1032289403.db2.gz ANWOTMFMABHQLE-GXTWGEPZSA-N 0 0 331.366 3.620 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](c2c(F)cccc2F)C1)c1ccncc1 ZINC000184391397 1032289607 /nfs/dbraw/zinc/28/96/07/1032289607.db2.gz ANWOTMFMABHQLE-OCCSQVGLSA-N 0 0 331.366 3.620 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000083740938 1032422115 /nfs/dbraw/zinc/42/21/15/1032422115.db2.gz SOPMNUWJIJRXLB-DLBZAZTESA-N 0 0 345.491 3.566 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C2CCCCCC2)c2ccc(F)cc2C1 ZINC000185505303 1032437090 /nfs/dbraw/zinc/43/70/90/1032437090.db2.gz KSSQLNYOPXURKV-IBGZPJMESA-N 0 0 346.446 3.706 10 0 EHAERN C[C@H]1CC(=O)Oc2cc(OC(=O)/C=C\c3ccnc(Cl)c3)ccc21 ZINC000588602100 1032494634 /nfs/dbraw/zinc/49/46/34/1032494634.db2.gz UBXRYDRFCAUSSI-SROOVFNMSA-N 0 0 343.766 3.766 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3ccc(C)s3)C2)c1 ZINC000081642156 1032615562 /nfs/dbraw/zinc/61/55/62/1032615562.db2.gz XOSSWXZPOOFXMD-AWEZNQCLSA-N 0 0 345.464 3.632 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(C)oc3C)C2)c1 ZINC000081638659 1032616235 /nfs/dbraw/zinc/61/62/35/1032616235.db2.gz ZIPIKXMFYSQYEM-CQSZACIVSA-N 0 0 329.396 3.543 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)NCC[C@@H]2c3ccccc3NC2=O)CC(C)(C)C1 ZINC000182600035 1017128775 /nfs/dbraw/zinc/12/87/75/1017128775.db2.gz LDSZZWZSGKDTDD-IIAWOOMASA-N 0 0 328.456 3.691 10 0 EHAERN O=C(N[C@H]1CCO[C@H]1c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000176129660 1017319648 /nfs/dbraw/zinc/31/96/48/1017319648.db2.gz IYYPZHYVQHRREB-ZETIMSEASA-N 0 0 340.467 3.785 10 0 EHAERN Clc1cncc(N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000091483288 1032704120 /nfs/dbraw/zinc/70/41/20/1032704120.db2.gz JARDDMOSDLNARE-AWEZNQCLSA-N 0 0 339.830 3.904 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000176291578 1018145966 /nfs/dbraw/zinc/14/59/66/1018145966.db2.gz TXTIIGRNXWXROT-CLVCIHKQSA-N 0 0 325.412 3.575 10 0 EHAERN CCCc1nc([C@H](Nc2nc(CC)ns2)c2ccccc2)no1 ZINC000092684336 1032811954 /nfs/dbraw/zinc/81/19/54/1032811954.db2.gz FXOBEYGDXZUADF-CQSZACIVSA-N 0 0 329.429 3.638 10 0 EHAERN NC(=O)C[C@H]1CCCN(c2ncnc3sc4ccccc4c32)C1 ZINC000333341087 1019279334 /nfs/dbraw/zinc/27/93/34/1019279334.db2.gz SUUFGARJQMONPV-LLVKDONJSA-N 0 0 326.425 3.986 10 0 EHAERN Cc1nc(NC(=O)N[C@H]2CCO[C@H]2C)sc1Cc1ccc(C)cc1 ZINC000333435079 1019565559 /nfs/dbraw/zinc/56/55/59/1019565559.db2.gz INMDENWBBFASJL-ZFWWWQNUSA-N 0 0 345.468 3.650 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)[C@H]2CCCO2)cs1 ZINC000333470727 1019666716 /nfs/dbraw/zinc/66/67/16/1019666716.db2.gz QWQVCMHECYVQBN-MEDUHNTESA-N 0 0 331.441 3.808 10 0 EHAERN CCOc1cc2c(cc1/C=C\C(=O)OCc1cncs1)O[C@H](C)C2 ZINC000588402918 1020541315 /nfs/dbraw/zinc/54/13/15/1020541315.db2.gz CZJVERXBJLSPSI-QMAVJUDZSA-N 0 0 345.420 3.622 10 0 EHAERN Cc1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1Cl ZINC000119370667 1032915731 /nfs/dbraw/zinc/91/57/31/1032915731.db2.gz YXMVLJUTPFEDDC-AWEZNQCLSA-N 0 0 331.803 3.729 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000093156136 1020878760 /nfs/dbraw/zinc/87/87/60/1020878760.db2.gz CNNYIMLJYWZYNC-OZVIIMIRSA-N 0 0 342.892 3.799 10 0 EHAERN C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)C1(C)C ZINC000333968170 1021553034 /nfs/dbraw/zinc/55/30/34/1021553034.db2.gz SPXONKUVIWXTMG-CTASWTNQSA-N 0 0 349.496 3.726 10 0 EHAERN O=C(/C=C\c1ccco1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000588426674 1021591235 /nfs/dbraw/zinc/59/12/35/1021591235.db2.gz NNVLDSLMUIUOSF-AFNCTOJWSA-N 0 0 331.240 3.991 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C)c1 ZINC000333760653 1021927727 /nfs/dbraw/zinc/92/77/27/1021927727.db2.gz PBNUYDZRHGHREG-FFZOFVMBSA-N 0 0 344.499 3.947 10 0 EHAERN C[C@H]1CC(C(=O)Nc2nnc(CC3CCCCC3)s2)C[C@H](C)O1 ZINC000094120112 1022101966 /nfs/dbraw/zinc/10/19/66/1022101966.db2.gz WHTKEXYOPNCQGA-RYUDHWBXSA-N 0 0 337.489 3.803 10 0 EHAERN CC[C@]1(CO)CCCN(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000187694133 1022217432 /nfs/dbraw/zinc/21/74/32/1022217432.db2.gz WNMDTYVSZXNTKO-QSFXBCCZSA-N 0 0 330.472 3.819 10 0 EHAERN Cc1nc(C(C)C)oc1C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 ZINC000333834198 1022233965 /nfs/dbraw/zinc/23/39/65/1022233965.db2.gz LWVOBTHAOMZTQB-UHFFFAOYSA-N 0 0 328.416 3.664 10 0 EHAERN CC(C)c1cc(Br)ccc1OC(=O)/C=C\c1ccncn1 ZINC000588440481 1022457872 /nfs/dbraw/zinc/45/78/72/1022457872.db2.gz SOWMAFMDEZMWLL-XQRVVYSFSA-N 0 0 347.212 3.981 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)C[C@H]2CCCc3ccccc32)[nH]1 ZINC000328748607 1022480945 /nfs/dbraw/zinc/48/09/45/1022480945.db2.gz QMVVKOSFSLORNB-AEFFLSMTSA-N 0 0 338.455 3.677 10 0 EHAERN Cc1cc(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)nn1C1CCCCC1 ZINC000328945748 1022538431 /nfs/dbraw/zinc/53/84/31/1022538431.db2.gz VFMLCDRZMMRLOD-HUUCEWRRSA-N 0 0 333.476 3.630 10 0 EHAERN CCc1nc(CCNC(=O)[C@@]2(C)CCCc3ccccc32)cs1 ZINC000102378507 1022915248 /nfs/dbraw/zinc/91/52/48/1022915248.db2.gz QQMAXXJLPJIHPB-IBGZPJMESA-N 0 0 328.481 3.658 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000588451978 1023020474 /nfs/dbraw/zinc/02/04/74/1023020474.db2.gz QCGJIRRPOTZCIU-HJWRWDBZSA-N 0 0 336.313 3.983 10 0 EHAERN Cc1nc2cc(NC(=O)[C@@H]3C[C@]34CCOc3ccccc34)ccc2o1 ZINC000276909174 1023340429 /nfs/dbraw/zinc/34/04/29/1023340429.db2.gz JQWJEQPJUUHFPN-YWZLYKJASA-N 0 0 334.375 3.815 10 0 EHAERN CN(C)C(=O)c1cc(F)ccc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000588474693 1023782677 /nfs/dbraw/zinc/78/26/77/1023782677.db2.gz PNHCIGOTNAXKGC-XQRVVYSFSA-N 0 0 344.361 3.709 10 0 EHAERN CCOCCC1(C(=O)Nc2cccc(-c3ncon3)c2)CCCC1 ZINC000151485718 1024116200 /nfs/dbraw/zinc/11/62/00/1024116200.db2.gz KUSOMUIHWHAADZ-UHFFFAOYSA-N 0 0 329.400 3.662 10 0 EHAERN Cc1nn(C)c2ncc(-c3nc([C@H]4C[C@H](C)C[C@H](C)C4)no3)cc12 ZINC000329747467 1024173815 /nfs/dbraw/zinc/17/38/15/1024173815.db2.gz ZKULTEWQWPHXRQ-PJXYFTJBSA-N 0 0 325.416 3.866 10 0 EHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000329910683 1024246626 /nfs/dbraw/zinc/24/66/26/1024246626.db2.gz ACJKAUXSBSLZPT-YJBOKZPZSA-N 0 0 330.428 3.508 10 0 EHAERN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000330204231 1024353873 /nfs/dbraw/zinc/35/38/73/1024353873.db2.gz BMCCWLZPZFGILO-LKTVYLICSA-N 0 0 333.819 3.608 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3ccccc3OC(C)C)CCO2)o1 ZINC000151685823 1024409829 /nfs/dbraw/zinc/40/98/29/1024409829.db2.gz ZMVUNPSPKKZZDG-IBGZPJMESA-N 0 0 343.423 3.518 10 0 EHAERN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(Oc2ccccc2)CC1 ZINC000098137042 1024580832 /nfs/dbraw/zinc/58/08/32/1024580832.db2.gz YNWHHTUEQUFVIK-AWEZNQCLSA-N 0 0 329.444 3.972 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000588490075 1024593087 /nfs/dbraw/zinc/59/30/87/1024593087.db2.gz KDRQHKXPLOODRV-OKULMJQMSA-N 0 0 337.394 3.887 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)/C=C/SCc3ccco3)CCO2)o1 ZINC000151783587 1024625343 /nfs/dbraw/zinc/62/53/43/1024625343.db2.gz WHNQTHAUVZEPAY-VGZDNEPHSA-N 0 0 333.409 3.528 10 0 EHAERN O=C1N[C@H](CC2CC2)C(=O)N1[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330353981 1025101041 /nfs/dbraw/zinc/10/10/41/1025101041.db2.gz PBQOZUWKYHSPHC-HZPDHXFCSA-N 0 0 340.423 3.748 10 0 EHAERN CC1(C)C(CNC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1(C)C ZINC000333252533 1025109630 /nfs/dbraw/zinc/10/96/30/1025109630.db2.gz SGFDPUXZQQZTER-QWHCGFSZSA-N 0 0 336.501 3.950 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC1CCCCCCC1 ZINC000152054573 1025129710 /nfs/dbraw/zinc/12/97/10/1025129710.db2.gz PLYQBZZRTJWVSH-HNNXBMFYSA-N 0 0 333.480 3.649 10 0 EHAERN O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@@H]1c1ccco1 ZINC000121790614 1025775711 /nfs/dbraw/zinc/77/57/11/1025775711.db2.gz QDTVGBSZIKCDCR-KBPBESRZSA-N 0 0 339.313 3.641 10 0 EHAERN CC(C)[C@@H]1NC(=O)N([C@H]2CC3(CCCC3)Oc3ccccc32)C1=O ZINC000329377889 1025791806 /nfs/dbraw/zinc/79/18/06/1025791806.db2.gz OTEHVZIDTAIPKM-HOCLYGCPSA-N 0 0 328.412 3.604 10 0 EHAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCO[C@H](C2CCCCC2)C1 ZINC000329443128 1025855641 /nfs/dbraw/zinc/85/56/41/1025855641.db2.gz NIURXDGNMRJSLN-WMZOPIPTSA-N 0 0 342.439 3.570 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccc(N(C)C)cc3F)CC2)n1 ZINC000122122643 1026248136 /nfs/dbraw/zinc/24/81/36/1026248136.db2.gz ZPSYZTDSAVUPIG-UHFFFAOYSA-N 0 0 347.459 3.676 10 0 EHAERN COc1ccsc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122326886 1026409577 /nfs/dbraw/zinc/40/95/77/1026409577.db2.gz XRYCJCMKWYPYSA-JSGCOSHPSA-N 0 0 331.437 3.784 10 0 EHAERN Cc1cc(F)cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 ZINC000152691897 1026538765 /nfs/dbraw/zinc/53/87/65/1026538765.db2.gz LXGKULVDZQQOBQ-OAHLLOKOSA-N 0 0 330.384 3.576 10 0 EHAERN CC(F)(F)c1cccc(NC=C2C(=O)NC(=O)c3ccccc32)c1 ZINC000588534381 1026752768 /nfs/dbraw/zinc/75/27/68/1026752768.db2.gz JIHYQXCCMVNILD-GDNBJRDFSA-N 0 0 328.318 3.521 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(F)c(Cl)c3)CCO2)o1 ZINC000152957901 1026887977 /nfs/dbraw/zinc/88/79/77/1026887977.db2.gz WCRNCDAPZAMZHU-HNNXBMFYSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1nccn1-c1cncc(NCc2ccccc2N2CCCCC2)n1 ZINC000302085217 1027047801 /nfs/dbraw/zinc/04/78/01/1027047801.db2.gz ZBTAOFBTZSWXFH-UHFFFAOYSA-N 0 0 348.454 3.573 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1ccc2ccccc2c1 ZINC000333622816 1027255038 /nfs/dbraw/zinc/25/50/38/1027255038.db2.gz ZSHNKJPCVYKPLS-KXBFYZLASA-N 0 0 338.451 3.990 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)cc1C ZINC000127208771 1027286808 /nfs/dbraw/zinc/28/68/08/1027286808.db2.gz UAUFLKCDEBZLCT-OAHLLOKOSA-N 0 0 342.266 3.867 10 0 EHAERN CC(=O)Nc1cccc(C[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000128904972 1027496906 /nfs/dbraw/zinc/49/69/06/1027496906.db2.gz AAKFIPSRZUDUND-UHFFFAOYSA-N 0 0 341.430 3.861 10 0 EHAERN CCNc1ncc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)s1 ZINC000129122387 1027523803 /nfs/dbraw/zinc/52/38/03/1027523803.db2.gz GBWVHUFXEHYSOB-GXTWGEPZSA-N 0 0 345.468 3.602 10 0 EHAERN O=C(c1cccnc1OCC(F)F)N1CC=C(c2ccccc2)CC1 ZINC000131061576 1027732081 /nfs/dbraw/zinc/73/20/81/1027732081.db2.gz IAGLVTHVHPSDES-UHFFFAOYSA-N 0 0 344.361 3.655 10 0 EHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)CCO1 ZINC000246189670 1027927859 /nfs/dbraw/zinc/92/78/59/1027927859.db2.gz SGVYMUGFAQZCIA-UAFONNFLSA-N 0 0 331.456 3.651 10 0 EHAERN CC(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114806596 1027975715 /nfs/dbraw/zinc/97/57/15/1027975715.db2.gz DSMNHGRWZFHVMG-ZDUSSCGKSA-N 0 0 344.440 3.513 10 0 EHAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000078574358 1027976042 /nfs/dbraw/zinc/97/60/42/1027976042.db2.gz ARCHFAKTTSQLCQ-KBPBESRZSA-N 0 0 328.391 3.665 10 0 EHAERN COc1cc(C)cc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000132935386 1027980549 /nfs/dbraw/zinc/98/05/49/1027980549.db2.gz YWUACXAGEYASLQ-HNNXBMFYSA-N 0 0 345.468 3.549 10 0 EHAERN Cc1cc2c(cc1NC(=O)N1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C1)OCO2 ZINC000333578461 1027995317 /nfs/dbraw/zinc/99/53/17/1027995317.db2.gz ZICUJYCRAQHBCT-ZYKCCNLVSA-N 0 0 328.412 3.624 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)CCc3ccccc3F)CCO2)o1 ZINC000133658379 1028050718 /nfs/dbraw/zinc/05/07/18/1028050718.db2.gz YQUNRQFVTPEGNB-IFXJQAMLSA-N 0 0 345.414 3.896 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000133820619 1028071093 /nfs/dbraw/zinc/07/10/93/1028071093.db2.gz RGXOAWDLGXYFHK-XUDAUXSOSA-N 0 0 341.407 3.600 10 0 EHAERN CC(=O)Nc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1F ZINC000053091493 1028151807 /nfs/dbraw/zinc/15/18/07/1028151807.db2.gz XDNSGJIXHWVZAA-UHFFFAOYSA-N 0 0 338.382 3.714 10 0 EHAERN CCCOc1ccccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000136950706 1028280122 /nfs/dbraw/zinc/28/01/22/1028280122.db2.gz YFAGAVOEWVHXOM-INIZCTEOSA-N 0 0 341.411 3.556 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3)[C@@H]2CCCC[C@H]21 ZINC000248425443 1028296310 /nfs/dbraw/zinc/29/63/10/1028296310.db2.gz NYEQIDACXNGJDT-ISTRZQFTSA-N 0 0 327.428 3.614 10 0 EHAERN Cc1[nH]c(=S)sc1CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000137346205 1028309083 /nfs/dbraw/zinc/30/90/83/1028309083.db2.gz OTLYJXXDLNNUIO-UHFFFAOYSA-N 0 0 348.468 3.738 10 0 EHAERN COCc1ccccc1NC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000056606143 1028336593 /nfs/dbraw/zinc/33/65/93/1028336593.db2.gz FYNGFGLOYRWBGS-HNNXBMFYSA-N 0 0 339.439 3.578 10 0 EHAERN CC(C)(C)C(=O)N1CCCN(C(=O)c2cccc3ccccc32)CC1 ZINC000066731411 1028336746 /nfs/dbraw/zinc/33/67/46/1028336746.db2.gz OXBXQIZPJOXBIZ-UHFFFAOYSA-N 0 0 338.451 3.560 10 0 EHAERN C[C@H]1CC=CC[C@H]1COC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000060914966 1028421286 /nfs/dbraw/zinc/42/12/86/1028421286.db2.gz RBJRLGCILDRZNO-HOCLYGCPSA-N 0 0 347.480 3.746 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccccc2N2CCCC2=O)[C@H]2CCCC[C@@H]12 ZINC000248431121 1028490472 /nfs/dbraw/zinc/49/04/72/1028490472.db2.gz PYKDCJVNAFAKES-VYDXJSESSA-N 0 0 341.455 3.856 10 0 EHAERN CC[C@@H](NC(=O)C1CCN(c2ccc(C)cn2)CC1)c1cccs1 ZINC000194188912 1028498311 /nfs/dbraw/zinc/49/83/11/1028498311.db2.gz NRBJIJTYUCLYLY-MRXNPFEDSA-N 0 0 343.496 3.935 10 0 EHAERN Cc1nnc([C@H]2Cc3ccccc3CN2c2cnc3ccccc3n2)o1 ZINC000194219755 1028500848 /nfs/dbraw/zinc/50/08/48/1028500848.db2.gz KZFSMVYZCOFUOV-GOSISDBHSA-N 0 0 343.390 3.625 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3CCCCC3(C)C)CC2)n1 ZINC000194327159 1028506676 /nfs/dbraw/zinc/50/66/76/1028506676.db2.gz OPKGTHWYWQKPOJ-QGZVFWFLSA-N 0 0 329.488 3.691 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)NC(=O)CS3)[C@@H]2CCCC[C@H]21 ZINC000248433488 1028532396 /nfs/dbraw/zinc/53/23/96/1028532396.db2.gz QTQBHMQCFZVHST-OSAQELSMSA-N 0 0 345.468 3.773 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000074435472 1028613973 /nfs/dbraw/zinc/61/39/73/1028613973.db2.gz HFFIJLYCQKQUOK-YJBOKZPZSA-N 0 0 344.503 3.579 10 0 EHAERN C[C@H]1CN(CCC(=O)Nc2ccccc2F)C[C@@H](c2ccsc2)O1 ZINC000246570541 1028660209 /nfs/dbraw/zinc/66/02/09/1028660209.db2.gz RTLNWVAFEGGYTJ-GUYCJALGSA-N 0 0 348.443 3.678 10 0 EHAERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[C@H]2CSCCS2)C1 ZINC000246572667 1028660861 /nfs/dbraw/zinc/66/08/61/1028660861.db2.gz FOWXDUUYMYVJBZ-KCXAZCMYSA-N 0 0 339.501 3.974 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000246642804 1028673091 /nfs/dbraw/zinc/67/30/91/1028673091.db2.gz CKXKCLNHSMMOSW-GLQYFDAESA-N 0 0 325.861 3.749 10 0 EHAERN CC(C)=C(F)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000153740491 1028678706 /nfs/dbraw/zinc/67/87/06/1028678706.db2.gz XVXWPESVESGKHB-MRXNPFEDSA-N 0 0 325.811 3.875 10 0 EHAERN CCN1CCc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3C)sc2C1 ZINC000246775823 1028689009 /nfs/dbraw/zinc/68/90/09/1028689009.db2.gz BQXJICYMHNWMGI-GJZGRUSLSA-N 0 0 341.480 3.572 10 0 EHAERN COc1cc(Cl)c(CN2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000246801175 1028693748 /nfs/dbraw/zinc/69/37/48/1028693748.db2.gz QTPPRJVLTWOHKW-UKRRQHHQSA-N 0 0 348.295 3.708 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(SC(F)F)cc2)[C@H]2CCO[C@H]21 ZINC000247299319 1028774503 /nfs/dbraw/zinc/77/45/03/1028774503.db2.gz VAAYDHCUINSJAU-JHJVBQTASA-N 0 0 327.396 3.545 10 0 EHAERN CCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1OCC ZINC000247403740 1028785574 /nfs/dbraw/zinc/78/55/74/1028785574.db2.gz MGIGFZHZSAAWCJ-GVDBMIGSSA-N 0 0 347.455 3.562 10 0 EHAERN O=C(Nc1ccc(-c2nccs2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247674705 1028809397 /nfs/dbraw/zinc/80/93/97/1028809397.db2.gz YZJPSROZWRDUQK-ARFHVFGLSA-N 0 0 343.452 3.889 10 0 EHAERN CCN(C(C)=O)c1nc(CN2C[C@@H](C)[C@H]2c2ccccc2)cs1 ZINC000248345608 1028868467 /nfs/dbraw/zinc/86/84/67/1028868467.db2.gz MYSVSJMIBAQVIO-DYVFJYSZSA-N 0 0 329.469 3.709 10 0 EHAERN CC(C)C[C@H](C)S(=O)(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000114214957 1028874921 /nfs/dbraw/zinc/87/49/21/1028874921.db2.gz HMQGMKNQUIEHPH-AWEZNQCLSA-N 0 0 349.500 3.507 10 0 EHAERN C[C@H]1C[C@H](C(=O)NCc2nnc(-c3ccccc3)s2)C[C@@H](C)C1 ZINC000248550274 1028888466 /nfs/dbraw/zinc/88/84/66/1028888466.db2.gz KIBYKSNTLUONIS-NHAGDIPZSA-N 0 0 329.469 3.894 10 0 EHAERN c1ccc(-c2cnc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)nc2)cc1 ZINC000248404120 1028894857 /nfs/dbraw/zinc/89/48/57/1028894857.db2.gz ZVSLNBONXCYBID-DFQSSKMNSA-N 0 0 335.451 3.581 10 0 EHAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000248880510 1028960401 /nfs/dbraw/zinc/96/04/01/1028960401.db2.gz FDBCUPLWDJLFQA-IOASZLSFSA-N 0 0 335.394 3.676 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)[C@@H]2CCCC[C@H]21 ZINC000248445246 1029098042 /nfs/dbraw/zinc/09/80/42/1029098042.db2.gz WJIGDZKHLBXSTR-XLMAVXFVSA-N 0 0 344.455 3.897 10 0 EHAERN C[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C[C@@H](C)C1 ZINC000245731159 1029185403 /nfs/dbraw/zinc/18/54/03/1029185403.db2.gz QFGVJKHOEYUUSZ-VQFNDLOPSA-N 0 0 342.483 3.936 10 0 EHAERN C[C@@H](CC(=O)N(C)[C@H]1CCCc2c1cnn2C)Cc1cccc(F)c1 ZINC000154501571 1029194178 /nfs/dbraw/zinc/19/41/78/1029194178.db2.gz LEOXNZXMVJQGIN-KDOFPFPSSA-N 0 0 343.446 3.664 10 0 EHAERN CC[C@H](NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)c1cccs1 ZINC000252657553 1029217166 /nfs/dbraw/zinc/21/71/66/1029217166.db2.gz ZZTYGUXHGJGMNW-XEZPLFJOSA-N 0 0 340.514 3.553 10 0 EHAERN COc1cccc(C2(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CCCC2)c1 ZINC000252663135 1029220049 /nfs/dbraw/zinc/22/00/49/1029220049.db2.gz FYWPYVWKCBQXTB-OTWHNJEPSA-N 0 0 343.467 3.581 10 0 EHAERN COc1cccc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1OC ZINC000245743635 1029226581 /nfs/dbraw/zinc/22/65/81/1029226581.db2.gz MIKICXDVLAMBCX-GUYCJALGSA-N 0 0 333.453 3.727 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3ccccc3O)C2)cc1 ZINC000078187564 1029240397 /nfs/dbraw/zinc/24/03/97/1029240397.db2.gz CTQSBOZKHHTXAD-CRAIPNDOSA-N 0 0 339.435 3.738 10 0 EHAERN O=C(CCC1CCCCC1)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000044453873 1029505391 /nfs/dbraw/zinc/50/53/91/1029505391.db2.gz POJSSLSIRFIUCP-UHFFFAOYSA-N 0 0 349.500 3.681 10 0 EHAERN CC(C)CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000078948083 1029507156 /nfs/dbraw/zinc/50/71/56/1029507156.db2.gz ZLFMXHWAVDWZLR-CQSZACIVSA-N 0 0 336.501 3.541 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245982392 1029544756 /nfs/dbraw/zinc/54/47/56/1029544756.db2.gz DJYLFWGIEUMMPP-SUHUHFCYSA-N 0 0 328.334 3.785 10 0 EHAERN Cc1nccn1-c1ccc([C@@H](C)Nc2cc(Cl)nc(N)n2)cc1F ZINC000080249487 1029753714 /nfs/dbraw/zinc/75/37/14/1029753714.db2.gz GGORFAFMMNMZEF-SECBINFHSA-N 0 0 346.797 3.519 10 0 EHAERN Cc1nccn1-c1ccc([C@H](C)Nc2cc(Cl)nc(N)n2)cc1F ZINC000080249491 1029753866 /nfs/dbraw/zinc/75/38/66/1029753866.db2.gz GGORFAFMMNMZEF-VIFPVBQESA-N 0 0 346.797 3.519 10 0 EHAERN O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@H](c2nccs2)C1 ZINC000114804827 1029828194 /nfs/dbraw/zinc/82/81/94/1029828194.db2.gz MGHRSNHYKDVDIT-VIFPVBQESA-N 0 0 341.358 3.972 10 0 EHAERN Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408340372 1029988334 /nfs/dbraw/zinc/98/83/34/1029988334.db2.gz NYMOAQHXIXGMBA-FZKQIMNGSA-N 0 0 336.501 3.516 10 0 EHAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000408365681 1030162760 /nfs/dbraw/zinc/16/27/60/1030162760.db2.gz IAULTMMTUPVUSJ-AXTRIDKLSA-N 0 0 333.190 3.822 10 0 EHAERN C[C@H](NC(=O)NC[C@H]1CCC[C@@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000245655688 1030207354 /nfs/dbraw/zinc/20/73/54/1030207354.db2.gz CMHVTELXTHTILH-RLFYNMQTSA-N 0 0 332.488 3.895 10 0 EHAERN CC(C)(C)NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000157286339 1030426534 /nfs/dbraw/zinc/42/65/34/1030426534.db2.gz QRBSSKVWTCBOKS-HNNXBMFYSA-N 0 0 326.444 3.764 10 0 EHAERN CCCC(=CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)CCC ZINC000092394384 1030445630 /nfs/dbraw/zinc/44/56/30/1030445630.db2.gz RLFZESHAGPTTMK-SFHVURJKSA-N 0 0 326.444 3.845 10 0 EHAERN O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170671484 1030692974 /nfs/dbraw/zinc/69/29/74/1030692974.db2.gz KMESFLNSCJFHGR-PSKZRQQASA-N 0 0 349.356 3.848 10 0 EHAERN CCOc1ccccc1CCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171645624 1030771206 /nfs/dbraw/zinc/77/12/06/1030771206.db2.gz IUEXIPOJZWPTLV-INIZCTEOSA-N 0 0 344.480 3.881 10 0 EHAERN O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000171646121 1030771271 /nfs/dbraw/zinc/77/12/71/1030771271.db2.gz GRMSZQCVXYWNEX-LLVKDONJSA-N 0 0 338.835 3.884 10 0 EHAERN C[C@]1(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1(Cl)Cl ZINC000171463086 1030783013 /nfs/dbraw/zinc/78/30/13/1030783013.db2.gz SWEFFQRJIOKKMV-KCQAQPDRSA-N 0 0 328.239 3.607 10 0 EHAERN CCSc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cn1 ZINC000171613774 1030800537 /nfs/dbraw/zinc/80/05/37/1030800537.db2.gz GJWGTHPDKZRSQQ-UHFFFAOYSA-N 0 0 341.480 3.684 10 0 EHAERN CCO[C@@H](C(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000171722783 1030813523 /nfs/dbraw/zinc/81/35/23/1030813523.db2.gz RKKMOVVZQMALDT-HZPDHXFCSA-N 0 0 330.453 3.627 10 0 EHAERN CC[C@@H](NC(=O)N1CCOC[C@H]1c1ccc(C)o1)c1cccs1 ZINC000172126537 1030837939 /nfs/dbraw/zinc/83/79/39/1030837939.db2.gz BMSXSHDJOOIVTR-KGLIPLIRSA-N 0 0 334.441 3.884 10 0 EHAERN CSc1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000172226907 1030873031 /nfs/dbraw/zinc/87/30/31/1030873031.db2.gz ZTPYWBNINPDRTJ-CQSZACIVSA-N 0 0 347.509 3.954 10 0 EHAERN Cn1cccc1[C@@H]1CCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000172251929 1030877501 /nfs/dbraw/zinc/87/75/01/1030877501.db2.gz CUBPRQAHKBFBGE-CVTTXWKISA-N 0 0 331.419 3.950 10 0 EHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC2(CC2)c2ccccc21 ZINC000172432468 1030944988 /nfs/dbraw/zinc/94/49/88/1030944988.db2.gz PREAKQHWWOCUEB-UHFFFAOYSA-N 0 0 346.430 3.501 10 0 EHAERN C[C@@H]1CCC[C@@H](C)N(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000172706658 1030980035 /nfs/dbraw/zinc/98/00/35/1030980035.db2.gz RJBZDAPQFDXHTN-HUUCEWRRSA-N 0 0 348.512 3.637 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2F)cc1 ZINC000172847645 1031010951 /nfs/dbraw/zinc/01/09/51/1031010951.db2.gz MLFXVDVYQJVGGA-SFHVURJKSA-N 0 0 328.387 3.610 10 0 EHAERN Cc1csc([C@H]2CCCN(C(=O)[C@]3(C)CC3(Cl)Cl)C2)n1 ZINC000173423791 1031089237 /nfs/dbraw/zinc/08/92/37/1031089237.db2.gz UTDWWYWPHXLJFI-GWCFXTLKSA-N 0 0 333.284 3.741 10 0 EHAERN COCc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174088461 1031162981 /nfs/dbraw/zinc/16/29/81/1031162981.db2.gz LDIZHZNQVSHSOO-UHFFFAOYSA-N 0 0 342.414 3.689 10 0 EHAERN Cc1ccc(CCNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000116555430 1031217856 /nfs/dbraw/zinc/21/78/56/1031217856.db2.gz HAMJQLPRBCADKR-MRXNPFEDSA-N 0 0 329.469 3.583 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]2C ZINC000249233002 1031239497 /nfs/dbraw/zinc/23/94/97/1031239497.db2.gz VUBPOIZELSZBNA-KFWWJZLASA-N 0 0 332.492 3.767 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000155957119 1031272556 /nfs/dbraw/zinc/27/25/56/1031272556.db2.gz DTFHZVBFNVDDLE-GJZGRUSLSA-N 0 0 332.492 3.959 10 0 EHAERN O=C(c1occc1Br)N1CCC[C@H](c2nccs2)C1 ZINC000175976559 1031401660 /nfs/dbraw/zinc/40/16/60/1031401660.db2.gz NSVJZXZEWQVPQG-VIFPVBQESA-N 0 0 341.230 3.518 10 0 EHAERN C[C@@H]1C[C@H](Cc2nc([C@H]3CN4CCC[C@@H]4CO3)no2)CC(C)(C)C1 ZINC000329641987 1031569490 /nfs/dbraw/zinc/56/94/90/1031569490.db2.gz CUIAGBFGDOCNSV-KLHDSHLOSA-N 0 0 333.476 3.610 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3csc(-c4ccccn4)n3)CCO2)o1 ZINC000158794621 1031629326 /nfs/dbraw/zinc/62/93/26/1031629326.db2.gz FNCGQQJOLGGOIL-KRWDZBQOSA-N 0 0 341.436 3.680 10 0 EHAERN O=C(NCCCc1ccccn1)N1CC=C(c2cccs2)CC1 ZINC000178409739 1031695236 /nfs/dbraw/zinc/69/52/36/1031695236.db2.gz GXECWODQJHSJEX-UHFFFAOYSA-N 0 0 327.453 3.575 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NCc3cccc(Cl)c3)CCO2)o1 ZINC000179037153 1031728304 /nfs/dbraw/zinc/72/83/04/1031728304.db2.gz WNSPOICCSIKZMV-INIZCTEOSA-N 0 0 334.803 3.525 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)c2ccccc2)[nH]1 ZINC000178854456 1031736429 /nfs/dbraw/zinc/73/64/29/1031736429.db2.gz PHORZEICLWBFHU-CVEARBPZSA-N 0 0 326.444 3.535 10 0 EHAERN CCOc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1OC ZINC000117577915 1031756179 /nfs/dbraw/zinc/75/61/79/1031756179.db2.gz YRWAQPHEFVIZGX-KPZWWZAWSA-N 0 0 327.380 3.597 10 0 EHAERN CC[C@H](NC(=O)Nc1c[nH]nc1-c1ccccc1)c1c(C)noc1C ZINC000179497244 1031778711 /nfs/dbraw/zinc/77/87/11/1031778711.db2.gz LHENUXJTIPUSFR-AWEZNQCLSA-N 0 0 339.399 3.954 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)Nc2c[nH]nc2-c2ccccc2)n1 ZINC000179484911 1031780233 /nfs/dbraw/zinc/78/02/33/1031780233.db2.gz ICVWCAOBWDMIRW-LLVKDONJSA-N 0 0 327.413 3.724 10 0 EHAERN CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCn3ccnc32)c2ccccc21 ZINC000180092512 1031841147 /nfs/dbraw/zinc/84/11/47/1031841147.db2.gz VWODUEXVJOQZFO-RDJZCZTQSA-N 0 0 337.467 3.732 10 0 EHAERN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117794798 1031855018 /nfs/dbraw/zinc/85/50/18/1031855018.db2.gz GALPITDZKBKLMQ-BIENJYKASA-N 0 0 349.434 3.798 10 0 EHAERN Cc1cccc(C)c1CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000180595082 1031888958 /nfs/dbraw/zinc/88/89/58/1031888958.db2.gz NGMOAYUIVZLHDH-FUHWJXTLSA-N 0 0 327.424 3.554 10 0 EHAERN CCCc1csc(NC(=O)N2CCC[C@H](c3nccs3)C2)n1 ZINC000180663924 1031894662 /nfs/dbraw/zinc/89/46/62/1031894662.db2.gz VKUACETWYWUDNQ-NSHDSACASA-N 0 0 336.486 3.964 10 0 EHAERN CCCc1csc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)n1 ZINC000180680467 1031897467 /nfs/dbraw/zinc/89/74/67/1031897467.db2.gz GJKIEGXZRCZTLR-AWEZNQCLSA-N 0 0 335.429 3.602 10 0 EHAERN Cc1cc([C@@H](C)N[C@H]2CCCn3ncnc32)ccc1Br ZINC000180731145 1031902908 /nfs/dbraw/zinc/90/29/08/1031902908.db2.gz IVXMRYSIEISPLJ-RISCZKNCSA-N 0 0 335.249 3.535 10 0 EHAERN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC=C(c2cccs2)CC1 ZINC000117894625 1031920817 /nfs/dbraw/zinc/92/08/17/1031920817.db2.gz AOOOSZSTRRRZGJ-CYBMUJFWSA-N 0 0 337.448 3.835 10 0 EHAERN CC(=O)c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nc1 ZINC000181145199 1031987489 /nfs/dbraw/zinc/98/74/89/1031987489.db2.gz HTASDUNISBOSSU-UHFFFAOYSA-N 0 0 328.759 3.600 10 0 EHAERN Cc1cccc(C)c1CC(=O)NC1CCN(c2cccs2)CC1 ZINC000181551689 1032004688 /nfs/dbraw/zinc/00/46/88/1032004688.db2.gz WEOPSNNWRUMMEJ-UHFFFAOYSA-N 0 0 328.481 3.693 10 0 EHAERN O=C(Nc1ccnc(Cl)c1)NC1CCN(c2cccs2)CC1 ZINC000181862558 1032040170 /nfs/dbraw/zinc/04/01/70/1032040170.db2.gz RKTPUKRUNXPINY-UHFFFAOYSA-N 0 0 336.848 3.587 10 0 EHAERN Cc1cc(C)c(C(=O)NC[C@H]2CCOc3ccccc32)c(Cl)n1 ZINC000181978014 1032050953 /nfs/dbraw/zinc/05/09/53/1032050953.db2.gz KVJWHTMICXRTGQ-CYBMUJFWSA-N 0 0 330.815 3.648 10 0 EHAERN CC[C@@](C)(O)CNC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000105184293 1033404088 /nfs/dbraw/zinc/40/40/88/1033404088.db2.gz FGCZTQBZGVKTBI-LJQANCHMSA-N 0 0 348.393 3.514 10 0 EHAERN CCN(C(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000105907069 1033519460 /nfs/dbraw/zinc/51/94/60/1033519460.db2.gz UUCROPPWBLVXDO-GFCCVEGCSA-N 0 0 335.350 3.794 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc3nc(C)ccc3o2)C12CCCC2 ZINC000172587255 1033539773 /nfs/dbraw/zinc/53/97/73/1033539773.db2.gz SINMJZVQGLLHEM-QZTJIDSGSA-N 0 0 342.439 3.946 10 0 EHAERN CCOc1ccc2cc(C(=O)Nc3cccc(-c4ncon4)c3)[nH]c2c1 ZINC000101525132 1033739917 /nfs/dbraw/zinc/73/99/17/1033739917.db2.gz MOMTYXJPZDHJCH-UHFFFAOYSA-N 0 0 348.362 3.869 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N([C@H](C)C(C)C)C3CC3)CC2)n1 ZINC000086400388 1034076138 /nfs/dbraw/zinc/07/61/38/1034076138.db2.gz FXVFFIHJPNNRRI-MRXNPFEDSA-N 0 0 344.503 3.577 10 0 EHAERN Cc1csc(C2CCN(C(=O)CCO[C@H](C)CC(C)C)CC2)n1 ZINC000087253400 1034123988 /nfs/dbraw/zinc/12/39/88/1034123988.db2.gz KUDCMPXPODHYTN-OAHLLOKOSA-N 0 0 338.517 3.999 10 0 EHAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H](C)c1nccs1 ZINC000088560431 1034206018 /nfs/dbraw/zinc/20/60/18/1034206018.db2.gz ACRKZQRVEYFXQP-ZFWWWQNUSA-N 0 0 344.484 3.644 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2csc(C3CC3)n2)no1 ZINC000173593822 1034578112 /nfs/dbraw/zinc/57/81/12/1034578112.db2.gz FHELFMXDKRNIKT-GFCCVEGCSA-N 0 0 332.429 3.504 10 0 EHAERN O=Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000186318794 1035615470 /nfs/dbraw/zinc/61/54/70/1035615470.db2.gz OYCPLRWGWWEYFX-QGZVFWFLSA-N 0 0 347.773 3.505 10 0 EHAERN Cc1cc2[nH]c(C(=O)N3CCCN(c4ccccn4)CC3)cc2c(C)c1 ZINC000186415745 1035630135 /nfs/dbraw/zinc/63/01/35/1035630135.db2.gz HXAULHHKRVMBOH-UHFFFAOYSA-N 0 0 348.450 3.532 10 0 EHAERN Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)s1 ZINC000186576168 1035660329 /nfs/dbraw/zinc/66/03/29/1035660329.db2.gz GEKFKVGLPJCLCT-UHFFFAOYSA-N 0 0 344.440 3.698 10 0 EHAERN CC1CCC(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186590602 1035663332 /nfs/dbraw/zinc/66/33/32/1035663332.db2.gz PDJFVJHOLHOAEV-UHFFFAOYSA-N 0 0 330.432 3.612 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186631728 1035675326 /nfs/dbraw/zinc/67/53/26/1035675326.db2.gz KDYSPVYRFFFGMQ-ZDUSSCGKSA-N 0 0 338.411 3.855 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](C)C1 ZINC000186677534 1035685726 /nfs/dbraw/zinc/68/57/26/1035685726.db2.gz MPNITYXRYZOMQL-OLZOCXBDSA-N 0 0 330.432 3.564 10 0 EHAERN O=C(Nc1cccc(Cl)c1)N1CCC(Nc2nccs2)CC1 ZINC000186951697 1035721131 /nfs/dbraw/zinc/72/11/31/1035721131.db2.gz IDMUKMFRDOIQAG-UHFFFAOYSA-N 0 0 336.848 3.905 10 0 EHAERN CC(C)(C)[C@H]1CCC[C@H](NC(=O)N2CCC(n3cncn3)CC2)CC1 ZINC000187049292 1035745251 /nfs/dbraw/zinc/74/52/51/1035745251.db2.gz YWKWUISDDHZODE-HOTGVXAUSA-N 0 0 347.507 3.620 10 0 EHAERN Cc1ccc([C@H]2COCCN2CCC(=O)c2ccc(F)cc2F)o1 ZINC000187051102 1035745748 /nfs/dbraw/zinc/74/57/48/1035745748.db2.gz DUIIDYVYROEKBH-MRXNPFEDSA-N 0 0 335.350 3.513 10 0 EHAERN COc1cnccc1[C@H](C)N[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000187110779 1035764582 /nfs/dbraw/zinc/76/45/82/1035764582.db2.gz BPXQDBQXSPEFPD-KBPBESRZSA-N 0 0 338.411 3.860 10 0 EHAERN Cc1cc(C)c(NC(=O)[C@@H]2CCCn3ccnc32)cc1Br ZINC000187599112 1035846180 /nfs/dbraw/zinc/84/61/80/1035846180.db2.gz OKIAJVBGSMCCKF-GFCCVEGCSA-N 0 0 348.244 3.779 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1c(Cl)nc2ccccn21 ZINC000188098129 1035894680 /nfs/dbraw/zinc/89/46/80/1035894680.db2.gz GWHATFUZFZXWPF-ZDUSSCGKSA-N 0 0 341.798 3.550 10 0 EHAERN O=C(Nc1ccc2c(c1)CCC2)N1CCC(Nc2nccs2)CC1 ZINC000188384194 1035917623 /nfs/dbraw/zinc/91/76/23/1035917623.db2.gz LCWKKKLPRMLEPQ-UHFFFAOYSA-N 0 0 342.468 3.740 10 0 EHAERN Cc1cc(F)ccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188393997 1035918885 /nfs/dbraw/zinc/91/88/85/1035918885.db2.gz IDCWMLUGGZTALL-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188529966 1035948199 /nfs/dbraw/zinc/94/81/99/1035948199.db2.gz NHXYNGNEYYXOJS-QGZVFWFLSA-N 0 0 338.407 3.704 10 0 EHAERN C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000188982876 1036000406 /nfs/dbraw/zinc/00/04/06/1036000406.db2.gz QYCUTLVKHURHBM-KGLIPLIRSA-N 0 0 346.504 3.575 10 0 EHAERN CCc1nc2sccc2c(N2CCOC[C@@H]2c2nc(C)cs2)n1 ZINC000189132702 1036020359 /nfs/dbraw/zinc/02/03/59/1036020359.db2.gz BLQBBGGDMFKCMJ-GFCCVEGCSA-N 0 0 346.481 3.597 10 0 EHAERN CCc1nc2sccc2c(N2CCOC[C@H]2c2nc(C)cs2)n1 ZINC000189132722 1036021592 /nfs/dbraw/zinc/02/15/92/1036021592.db2.gz BLQBBGGDMFKCMJ-LBPRGKRZSA-N 0 0 346.481 3.597 10 0 EHAERN COc1cccc2c1OC[C@H](NC(=O)Nc1ccsc1Cl)C2 ZINC000189391521 1036064178 /nfs/dbraw/zinc/06/41/78/1036064178.db2.gz JZXVZUUWPHWWNL-SNVBAGLBSA-N 0 0 338.816 3.535 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCC1=O ZINC000332766422 1036088445 /nfs/dbraw/zinc/08/84/45/1036088445.db2.gz BBRRMGALHDHPEN-VYDXJSESSA-N 0 0 341.451 3.945 10 0 EHAERN COc1ccc(F)c(NC(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189740517 1036134254 /nfs/dbraw/zinc/13/42/54/1036134254.db2.gz MAEJHDSUHODDCG-HNNXBMFYSA-N 0 0 330.359 3.788 10 0 EHAERN CC(C)C[C@@H](C)OCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189819144 1036150071 /nfs/dbraw/zinc/15/00/71/1036150071.db2.gz QXTOUUTYAHNOEH-QGZVFWFLSA-N 0 0 345.483 3.923 10 0 EHAERN O=C(c1ccc2ccccc2n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189843615 1036156750 /nfs/dbraw/zinc/15/67/50/1036156750.db2.gz CCYIIUPGTNJXBP-UHFFFAOYSA-N 0 0 344.414 3.943 10 0 EHAERN Cc1[nH]nc(C(C)C)c1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189851290 1036156811 /nfs/dbraw/zinc/15/68/11/1036156811.db2.gz BIGCIVVQFKWCEG-UHFFFAOYSA-N 0 0 339.439 3.550 10 0 EHAERN COc1cc(C)c(C(=O)N[C@H]2CCOc3c(C)cccc32)cc1OC ZINC000189959806 1036167630 /nfs/dbraw/zinc/16/76/30/1036167630.db2.gz IKGYOICAYYDOKV-INIZCTEOSA-N 0 0 341.407 3.574 10 0 EHAERN C[C@H](Cc1cccc(F)c1)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190393674 1036236088 /nfs/dbraw/zinc/23/60/88/1036236088.db2.gz XVSHHCHBUWUGCH-CYBMUJFWSA-N 0 0 347.459 3.564 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1coc(Br)c1 ZINC000190628488 1036268469 /nfs/dbraw/zinc/26/84/69/1036268469.db2.gz WBXWAHKQOHIDQY-LBPRGKRZSA-N 0 0 336.185 3.604 10 0 EHAERN COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000102343299 1036299004 /nfs/dbraw/zinc/29/90/04/1036299004.db2.gz SOKQLLRPRVITOH-CQSZACIVSA-N 0 0 331.362 3.821 10 0 EHAERN O=C([C@@H]1CC1(Cl)Cl)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191207143 1036348084 /nfs/dbraw/zinc/34/80/84/1036348084.db2.gz ZBLGEWUWTOGQPA-CABZTGNLSA-N 0 0 334.193 3.865 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000191533089 1036408151 /nfs/dbraw/zinc/40/81/51/1036408151.db2.gz UCDGPVFWMCXDAR-SFHVURJKSA-N 0 0 339.439 3.702 10 0 EHAERN COC(=O)[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C[C@@H]1C ZINC000191825508 1036447238 /nfs/dbraw/zinc/44/72/38/1036447238.db2.gz LKGYVKUFELGJRA-STQMWFEESA-N 0 0 348.830 3.626 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)c1cc2sccc2[nH]1 ZINC000192160250 1036481871 /nfs/dbraw/zinc/48/18/71/1036481871.db2.gz QLWDAHDWFWLZOA-UHFFFAOYSA-N 0 0 331.466 3.690 10 0 EHAERN CC(C)c1noc([C@@H](C)N2CC3(CCOCC3)c3ccccc32)n1 ZINC000192290403 1036492649 /nfs/dbraw/zinc/49/26/49/1036492649.db2.gz KHRVOHFPBCJYIC-CQSZACIVSA-N 0 0 327.428 3.822 10 0 EHAERN CC[C@](C)(NC(=O)[C@H]1CCCc2cccnc21)c1nc(C)cs1 ZINC000192623184 1036518563 /nfs/dbraw/zinc/51/85/63/1036518563.db2.gz SIWLPECQEPOCHR-KSSFIOAISA-N 0 0 329.469 3.708 10 0 EHAERN COCc1ccc(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000192545826 1036527184 /nfs/dbraw/zinc/52/71/84/1036527184.db2.gz WHXHCZHTRYHHNB-SUMWQHHRSA-N 0 0 326.396 3.519 10 0 EHAERN CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000193293798 1036585889 /nfs/dbraw/zinc/58/58/89/1036585889.db2.gz AEINCQJVQFURJG-MOPGFXCFSA-N 0 0 342.414 3.879 10 0 EHAERN COc1ccc(-c2nsc(NC(=O)Cc3ccc(C)s3)n2)cc1 ZINC000103034869 1036809474 /nfs/dbraw/zinc/80/94/74/1036809474.db2.gz PDKXIHPSKQAUMR-UHFFFAOYSA-N 0 0 345.449 3.765 10 0 EHAERN COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000103076674 1036832684 /nfs/dbraw/zinc/83/26/84/1036832684.db2.gz ZWHMSMPEDPVEQH-CQSZACIVSA-N 0 0 349.352 3.960 10 0 EHAERN CC(C)c1noc(-c2ccc(NC(=O)N(C)C[C@H]3CCCO3)cc2)n1 ZINC000103291364 1036881528 /nfs/dbraw/zinc/88/15/28/1036881528.db2.gz YGQMPNWUMZWUSO-OAHLLOKOSA-N 0 0 344.415 3.503 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCc2sccc21 ZINC000126027180 1036987613 /nfs/dbraw/zinc/98/76/13/1036987613.db2.gz UJSBWTGKMTWIHK-ZIAGYGMSSA-N 0 0 344.484 3.534 10 0 EHAERN Cc1ccncc1NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000104454272 1037041035 /nfs/dbraw/zinc/04/10/35/1037041035.db2.gz KFGKTOWACBRYSB-UHFFFAOYSA-N 0 0 327.771 3.609 10 0 EHAERN CCOCCOCC(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000105588954 1037218381 /nfs/dbraw/zinc/21/83/81/1037218381.db2.gz YNEWLVHSLMTNRB-UHFFFAOYSA-N 0 0 349.377 3.551 10 0 EHAERN Cc1ccc(CC(=O)Nc2ccnn2Cc2ccccc2F)s1 ZINC000105972437 1037267872 /nfs/dbraw/zinc/26/78/72/1037267872.db2.gz AQQWDVKIWXOASY-UHFFFAOYSA-N 0 0 329.400 3.622 10 0 EHAERN CN(C)C(=O)c1cccc(C(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000102979597 1037584890 /nfs/dbraw/zinc/58/48/90/1037584890.db2.gz LELHYEVLXRFCDL-IBGZPJMESA-N 0 0 348.402 3.501 10 0 EHAERN Cc1nnc([C@H](NC(=O)N[C@@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000105067552 1037597919 /nfs/dbraw/zinc/59/79/19/1037597919.db2.gz ROWJIGITMFRHQO-KBXCAEBGSA-N 0 0 349.438 3.571 10 0 EHAERN CC(C)(C)NC(=O)CSCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000105636720 1037602797 /nfs/dbraw/zinc/60/27/97/1037602797.db2.gz PEOAWIQWHJFMQW-UHFFFAOYSA-N 0 0 340.395 3.768 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000112721363 1037768819 /nfs/dbraw/zinc/76/88/19/1037768819.db2.gz GYWKPPIJHRXCIQ-OAHLLOKOSA-N 0 0 340.471 3.839 10 0 EHAERN O=C(NCCc1cccc(Cl)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114819821 1037810244 /nfs/dbraw/zinc/81/02/44/1037810244.db2.gz MLDLLOHILMVGIG-CQSZACIVSA-N 0 0 349.887 3.928 10 0 EHAERN COc1cc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1C ZINC000114825496 1037811061 /nfs/dbraw/zinc/81/10/61/1037811061.db2.gz NOSFCDDNBGQASC-OAHLLOKOSA-N 0 0 345.468 3.549 10 0 EHAERN COc1cc(OC)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1Cl ZINC000117570676 1037854904 /nfs/dbraw/zinc/85/49/04/1037854904.db2.gz PDLLWCLHTBUMRD-QGHHPUGFSA-N 0 0 347.798 3.860 10 0 EHAERN CCOC(=O)Nc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1 ZINC000117611215 1037855279 /nfs/dbraw/zinc/85/52/79/1037855279.db2.gz SBKUSJKNNNCWJF-SJCJKPOMSA-N 0 0 340.379 3.758 10 0 EHAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000119094953 1037882207 /nfs/dbraw/zinc/88/22/07/1037882207.db2.gz AKSYYSOWNVLHKK-CYBMUJFWSA-N 0 0 341.430 3.975 10 0 EHAERN COc1cccc(C2CCN(C(=O)C[C@H](O)c3ccccc3)CC2)c1 ZINC000179767097 1037917859 /nfs/dbraw/zinc/91/78/59/1037917859.db2.gz RRYCYQLVPCKUGI-FQEVSTJZSA-N 0 0 339.435 3.525 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)nc21 ZINC000120282457 1037928863 /nfs/dbraw/zinc/92/88/63/1037928863.db2.gz PRABHZXBWRIOSP-QGCDCVKKSA-N 0 0 345.446 3.649 10 0 EHAERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H]1CCc2ccccc21 ZINC000332999590 1037969245 /nfs/dbraw/zinc/96/92/45/1037969245.db2.gz GUZXGPBWBVAKLP-HOCLYGCPSA-N 0 0 342.464 3.763 10 0 EHAERN CSc1ccsc1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000107121726 1038284126 /nfs/dbraw/zinc/28/41/26/1038284126.db2.gz SBZINLXRYXHQFQ-LBPRGKRZSA-N 0 0 332.494 3.824 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC(c2cc[nH]n2)CC1 ZINC000125158698 1038286726 /nfs/dbraw/zinc/28/67/26/1038286726.db2.gz HFKKFBONFBGDAN-UHFFFAOYSA-N 0 0 344.465 3.615 10 0 EHAERN Cc1cccc(C)c1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000043358173 1038310634 /nfs/dbraw/zinc/31/06/34/1038310634.db2.gz WEWMEXPIPLDOQR-MRXNPFEDSA-N 0 0 349.438 3.758 10 0 EHAERN C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc2c(c1)CC(=O)N2 ZINC000245772534 1038836211 /nfs/dbraw/zinc/83/62/11/1038836211.db2.gz XMHHVTXLAFBJEI-IOASZLSFSA-N 0 0 328.456 3.821 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCC[C@@H](C(C)C)C3)C2)no1 ZINC000245825578 1039004868 /nfs/dbraw/zinc/00/48/68/1039004868.db2.gz OHMCKQNCFNOPOQ-BBWFWOEESA-N 0 0 348.491 3.557 10 0 EHAERN NC(=O)N1CCc2cc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)ccc21 ZINC000245925011 1039486149 /nfs/dbraw/zinc/48/61/49/1039486149.db2.gz PHWOIDSNKPHLOL-OFQRWUPVSA-N 0 0 341.455 3.673 10 0 EHAERN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000150951462 1039594553 /nfs/dbraw/zinc/59/45/53/1039594553.db2.gz URVWSLWROMYXIC-MPGHIAIKSA-N 0 0 344.455 3.516 10 0 EHAERN O=C(Nc1cccc2c1OCO2)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000332825750 1040140056 /nfs/dbraw/zinc/14/00/56/1040140056.db2.gz JAQXPVKUBJEJMI-UWVGGRQHSA-N 0 0 330.306 3.658 10 0 EHAERN O=C(Nc1cccc2c1OCO2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000332825751 1040140158 /nfs/dbraw/zinc/14/01/58/1040140158.db2.gz JAQXPVKUBJEJMI-ZJUUUORDSA-N 0 0 330.306 3.658 10 0 EHAERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000332941737 1040214344 /nfs/dbraw/zinc/21/43/44/1040214344.db2.gz WNXIEMMJEACIPD-RYUDHWBXSA-N 0 0 330.350 3.786 10 0 EHAERN Cc1ccc([C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C2CC2)cc1 ZINC000332973230 1040600694 /nfs/dbraw/zinc/60/06/94/1040600694.db2.gz GMHZNXNZTFDVCU-DYXWJJEUSA-N 0 0 342.483 3.783 10 0 EHAERN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3nccnc3n2)cc1C ZINC000333156270 1041374974 /nfs/dbraw/zinc/37/49/74/1041374974.db2.gz BNZHJKHNCXFGSV-SFHVURJKSA-N 0 0 332.407 3.619 10 0 EHAERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3cccc(C(C)C)c3)C2)c1 ZINC000106222466 1041631851 /nfs/dbraw/zinc/63/18/51/1041631851.db2.gz WLDHLMXZVOYZFB-IBGZPJMESA-N 0 0 340.471 3.591 10 0 EHAERN C[C@H]1CC[C@@H](NC(=O)N(C)C2CCC(CO)CC2)c2ccccc21 ZINC000153116589 1042560778 /nfs/dbraw/zinc/56/07/78/1042560778.db2.gz FMBHFQKZRKSYLI-YHRBYZFPSA-N 0 0 330.472 3.818 10 0 EHAERN COCc1ccc([C@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)o1 ZINC000162028124 1042706109 /nfs/dbraw/zinc/70/61/09/1042706109.db2.gz SEPFPYMAIWGHEK-BXUZGUMPSA-N 0 0 332.227 3.673 10 0 EHAERN C[C@H](CC1CCCCC1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162412781 1042727799 /nfs/dbraw/zinc/72/77/99/1042727799.db2.gz HBIJADAVWQHVSR-MRXNPFEDSA-N 0 0 331.504 3.808 10 0 EHAERN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CC[C@H]2CCC[C@@H]21 ZINC000330322522 1042901375 /nfs/dbraw/zinc/90/13/75/1042901375.db2.gz SNRZAKXYKVNOSU-RISCZKNCSA-N 0 0 342.420 3.553 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1cc2cccc(F)c2o1 ZINC000408287316 1042971292 /nfs/dbraw/zinc/97/12/92/1042971292.db2.gz QEUUEKLNLDBCAQ-SGTLLEGYSA-N 0 0 334.391 3.579 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(C)cc1 ZINC000408351858 1043611860 /nfs/dbraw/zinc/61/18/60/1043611860.db2.gz JNPUSPONBLIVJF-BJLQDIEVSA-N 0 0 330.472 3.783 10 0 EHAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CCC[C@@H]2CCC[C@H]21 ZINC000408359139 1043693844 /nfs/dbraw/zinc/69/38/44/1043693844.db2.gz SICAZCHPXBXZKW-XJKSGUPXSA-N 0 0 328.391 3.808 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1n1ccnc1 ZINC000247645028 1043981366 /nfs/dbraw/zinc/98/13/66/1043981366.db2.gz OSZZVBHIMJPGRW-MNEFBYGVSA-N 0 0 338.455 3.553 10 0 EHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)C[C@@H]2CCCC(C)(C)C2)o1 ZINC000408385876 1044489109 /nfs/dbraw/zinc/48/91/09/1044489109.db2.gz MMJTVMQYWNGEKB-LSDHHAIUSA-N 0 0 349.475 3.699 10 0 EHAERN CC(C)c1nnc([C@H]2CN(C(=O)C[C@H]3CCCC(C)(C)C3)CCO2)o1 ZINC000408385344 1044489223 /nfs/dbraw/zinc/48/92/23/1044489223.db2.gz JZIYDQNPDKTWGH-HUUCEWRRSA-N 0 0 349.475 3.699 10 0 EHAERN CC1(C)CCN(C(=O)Nc2cc(F)ccc2-n2cccn2)CCS1 ZINC000408396427 1044862551 /nfs/dbraw/zinc/86/25/51/1044862551.db2.gz PZLXOAJAFACFHV-UHFFFAOYSA-N 0 0 348.447 3.761 10 0 EHAERN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)C[C@H]1CCCO1 ZINC000102905491 1127780295 /nfs/dbraw/zinc/78/02/95/1127780295.db2.gz PWYXVVUQAWMUEU-SMDDNHRTSA-N 0 0 345.270 3.745 10 0 EHAERN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104908538 1127902925 /nfs/dbraw/zinc/90/29/25/1127902925.db2.gz MPQDQTZICKOGGF-HNNXBMFYSA-N 0 0 343.810 3.728 10 0 EHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@]1(C)CCOC1 ZINC000270230752 1128860962 /nfs/dbraw/zinc/86/09/62/1128860962.db2.gz QERNHWYFYZCFSH-BEFAXECRSA-N 0 0 331.460 3.674 10 0 EHAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@H](C)[C@@H](C)C3CCCCC3)C2)n1 ZINC000370103474 1120899190 /nfs/dbraw/zinc/89/91/90/1120899190.db2.gz XKGKYWUSPMYSFX-CKEIUWERSA-N 0 0 348.491 3.872 10 0 EHAERN C[C@@H](NC(=O)N[C@H]1CCCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000282689513 1131141410 /nfs/dbraw/zinc/14/14/10/1131141410.db2.gz WXBAJFQXTKQEJG-WBMJQRKESA-N 0 0 338.398 3.674 10 0 EHAERN CCn1c(SCC(=O)OCC(C)(C)C)nnc1-c1ccccc1C ZINC000103700767 1131785175 /nfs/dbraw/zinc/78/51/75/1131785175.db2.gz MZOZUDGKQBHPOI-UHFFFAOYSA-N 0 0 347.484 3.955 10 0 EHAERN COc1cc(OC)cc(OC(=O)C[C@H](C)c2ccccc2OC)c1 ZINC000102977435 1132571754 /nfs/dbraw/zinc/57/17/54/1132571754.db2.gz PPNPZMONZZZUTD-ZDUSSCGKSA-N 0 0 330.380 3.812 10 0 EHAERN COc1cc(OC)cc(OC(=O)C[C@@H](C)c2ccccc2OC)c1 ZINC000102977437 1132572092 /nfs/dbraw/zinc/57/20/92/1132572092.db2.gz PPNPZMONZZZUTD-CYBMUJFWSA-N 0 0 330.380 3.812 10 0 EHAERN CC(C)[C@@H](CC(=O)OCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000103220324 1132754733 /nfs/dbraw/zinc/75/47/33/1132754733.db2.gz QIYYJUFIHIOGPH-MRXNPFEDSA-N 0 0 327.428 3.566 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)C3CCCCCC3)C2)o1 ZINC000102141749 1135464402 /nfs/dbraw/zinc/46/44/02/1135464402.db2.gz BIPUIMIHSPHGOW-MRXNPFEDSA-N 0 0 347.455 3.954 10 0 EHAERN CCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 ZINC000102744493 1135639368 /nfs/dbraw/zinc/63/93/68/1135639368.db2.gz KDJXOQPDUUUYFH-GHMZBOCLSA-N 0 0 330.350 3.668 10 0 EHAERN CCC[C@@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 ZINC000105765465 1135975534 /nfs/dbraw/zinc/97/55/34/1135975534.db2.gz CGTSOWKALVYBHM-QZTJIDSGSA-N 0 0 329.440 3.720 10 0 EHAERN CC1(C)CCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000102918538 1137874556 /nfs/dbraw/zinc/87/45/56/1137874556.db2.gz DIPAEGOQLYVPTC-UHFFFAOYSA-N 0 0 348.244 3.649 10 0 EHAERN O=C(Cc1cc2c(ccc3ccccc23)o1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333696194 1138321374 /nfs/dbraw/zinc/32/13/74/1138321374.db2.gz BKDRGRFTNTWGCV-BBWFWOEESA-N 0 0 349.430 3.748 10 0 EHAERN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333923032 1138348041 /nfs/dbraw/zinc/34/80/41/1138348041.db2.gz RXCXIEYNJIGPNO-WDYCEAGBSA-N 0 0 348.446 3.883 10 0 EHAERN CC(C)(C)c1csc(N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)n1 ZINC000333938806 1138350412 /nfs/dbraw/zinc/35/04/12/1138350412.db2.gz MUNGAFKOXFPMJY-UTUOFQBUSA-N 0 0 333.457 3.540 10 0 EHAERN COC[C@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(C)o1 ZINC000187399634 1140253700 /nfs/dbraw/zinc/25/37/00/1140253700.db2.gz CTLOGYOEKMWTPF-ZFWWWQNUSA-N 0 0 349.456 3.587 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2c(Cl)nc3ccccn32)cs1 ZINC000188119222 1140283728 /nfs/dbraw/zinc/28/37/28/1140283728.db2.gz KKYRWCMJRLQCMK-LBPRGKRZSA-N 0 0 346.843 3.730 10 0 EHAERN COc1ccc(CN2CCC[C@H]2c2csc(C)n2)c(OC)c1OC ZINC000189920757 1140372048 /nfs/dbraw/zinc/37/20/48/1140372048.db2.gz VARKZCZWLZHRFJ-HNNXBMFYSA-N 0 0 348.468 3.814 10 0 EHAERN CC(C)[C@H](NC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1F ZINC000190823933 1140419250 /nfs/dbraw/zinc/41/92/50/1140419250.db2.gz LYZHZENFGVJTNI-TZDAIYRESA-N 0 0 342.842 3.589 10 0 EHAERN CCNc1snnc1COc1ccc(Cl)cc1Br ZINC000050831294 214071961 /nfs/dbraw/zinc/07/19/61/214071961.db2.gz HCVXHGKEGDGZEX-UHFFFAOYSA-N 0 0 348.653 3.965 10 0 EHAERN CCc1ccc([C@H](NC)c2ccccc2I)o1 ZINC000051727158 214102466 /nfs/dbraw/zinc/10/24/66/214102466.db2.gz TTZPTFFAUUULMG-CQSZACIVSA-N 0 0 341.192 3.755 10 0 EHAERN Cc1nc(N(C)Cc2cc(Br)cs2)sc1C=O ZINC000054966893 214261357 /nfs/dbraw/zinc/26/13/57/214261357.db2.gz LGBXVFHJCQLVNU-UHFFFAOYSA-N 0 0 331.260 3.724 10 0 EHAERN Cc1ccc(CN(Cc2ccc(CO)o2)Cc2ccncc2)s1 ZINC000055568805 214330522 /nfs/dbraw/zinc/33/05/22/214330522.db2.gz PZUYVUYIOOSNJO-UHFFFAOYSA-N 0 0 328.437 3.739 10 0 EHAERN CC(C)(C)OC(=O)N1C[C@H](CO)[C@H](c2ccccc2C(F)(F)F)C1 ZINC000098089115 219082125 /nfs/dbraw/zinc/08/21/25/219082125.db2.gz YLLMJWZDOOUCRJ-DGCLKSJQSA-N 0 0 345.361 3.648 10 0 EHAERN CCn1cc(CCNC(=O)Nc2ccc(F)cc2)c2cccnc21 ZINC000065156301 214834251 /nfs/dbraw/zinc/83/42/51/214834251.db2.gz BEAKEUZUWLMPPJ-UHFFFAOYSA-N 0 0 326.375 3.560 10 0 EHAERN Cc1ccc(NC(=S)NC(=O)C(C)(C)C)c(Br)c1 ZINC000003072142 209961178 /nfs/dbraw/zinc/96/11/78/209961178.db2.gz SBKZZKQRGGBLBW-UHFFFAOYSA-N 0 0 329.263 3.617 10 0 EHAERN CCCCc1nc(Cl)c(C=O)n1Cc1cc2c(cc1C)OCO2 ZINC000103291659 219285707 /nfs/dbraw/zinc/28/57/07/219285707.db2.gz AQNXJODAMGXRBS-UHFFFAOYSA-N 0 0 334.803 3.777 10 0 EHAERN N[C@H]1C(=O)Nc2cc(Sc3cccc(Br)c3)ccc21 ZINC000103708108 219320454 /nfs/dbraw/zinc/32/04/54/219320454.db2.gz TYLLEDBOXRAZIC-CYBMUJFWSA-N 0 0 335.226 3.552 10 0 EHAERN CN[C@@H](c1sccc1Br)c1cc(OC)ccc1OC ZINC000104302265 219373316 /nfs/dbraw/zinc/37/33/16/219373316.db2.gz NFWYKUZNKZCXKF-CYBMUJFWSA-N 0 0 342.258 3.837 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 ZINC000040782619 213387171 /nfs/dbraw/zinc/38/71/71/213387171.db2.gz NLGNITSXJSGFQN-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN Cc1ccnc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1 ZINC000040701437 213371899 /nfs/dbraw/zinc/37/18/99/213371899.db2.gz SAAMXZUCLBHARZ-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN CC(C)Nc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N ZINC000040708380 213371652 /nfs/dbraw/zinc/37/16/52/213371652.db2.gz CVNKGJHJYCURIN-UHFFFAOYSA-N 0 0 346.744 3.690 10 0 EHAERN Cc1cccc(OCc2nc3ccc(Cl)cc3n2CCO)c1C ZINC000040401091 213298024 /nfs/dbraw/zinc/29/80/24/213298024.db2.gz OJCOTEALCZQQNF-UHFFFAOYSA-N 0 0 330.815 3.878 10 0 EHAERN O=C(Cn1c(/C=C/c2ccco2)nc2ccccc21)N1CCCCC1 ZINC000040238732 213284334 /nfs/dbraw/zinc/28/43/34/213284334.db2.gz KOSNPUKRQRKIRW-ZHACJKMWSA-N 0 0 335.407 3.812 10 0 EHAERN C=CC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000040203636 213281611 /nfs/dbraw/zinc/28/16/11/213281611.db2.gz XNLIFAMWUNMHIZ-UHFFFAOYSA-N 0 0 339.826 3.583 10 0 EHAERN CCOC(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000040225919 213282783 /nfs/dbraw/zinc/28/27/83/213282783.db2.gz REJMEBZSSMZBJW-UHFFFAOYSA-N 0 0 328.799 3.844 10 0 EHAERN C[C@H](NC(=O)/C=C\c1ccccc1F)c1ccc2c(c1)NCCO2 ZINC000038151889 213203880 /nfs/dbraw/zinc/20/38/80/213203880.db2.gz KJKISBSTHVUMEV-JWJUJFCLSA-N 0 0 326.371 3.521 10 0 EHAERN C[C@H](NC(=O)c1ccnc(Cl)c1)c1cccc(Br)c1 ZINC000037983347 213182136 /nfs/dbraw/zinc/18/21/36/213182136.db2.gz QDSBGXZNULLIAK-VIFPVBQESA-N 0 0 339.620 3.989 10 0 EHAERN CCOC(=O)[C@](C)(NCC1CC1)c1cc(F)c(Cl)cc1Cl ZINC000037968338 213177866 /nfs/dbraw/zinc/17/78/66/213177866.db2.gz OTNYJRZLQWKMJE-OAHLLOKOSA-N 0 0 334.218 3.910 10 0 EHAERN COC(=O)[C@H](NC1CCCCCC1)c1cccc(Br)c1 ZINC000037972644 213177933 /nfs/dbraw/zinc/17/79/33/213177933.db2.gz IUSCFCBQJGHWOL-OAHLLOKOSA-N 0 0 340.261 3.976 10 0 EHAERN CCOC(=O)[C@@](CC)(NCC1CC1)c1ccc(Br)cc1 ZINC000037968043 213177541 /nfs/dbraw/zinc/17/75/41/213177541.db2.gz UXXXCUAKPYGXIC-INIZCTEOSA-N 0 0 340.261 3.617 10 0 EHAERN NC(=O)[C@H](Nc1ccccc1Cl)c1cccc(Br)c1 ZINC000037942330 213175009 /nfs/dbraw/zinc/17/50/09/213175009.db2.gz MKRJXJRALKRTPM-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=S)c1ccccc1COc1ccc(Br)cc1F ZINC000034957321 213002239 /nfs/dbraw/zinc/00/22/39/213002239.db2.gz GZPUQYNFRRDSBH-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(F)c(C)c3)C2=O)cc1C ZINC000034697059 212983724 /nfs/dbraw/zinc/98/37/24/212983724.db2.gz SLJUEFYCHWEGGY-QGZVFWFLSA-N 0 0 340.398 3.743 10 0 EHAERN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C3CC3)cc2c1 ZINC000000416695 209581292 /nfs/dbraw/zinc/58/12/92/209581292.db2.gz YPISYNNVZIYECP-UHFFFAOYSA-N 0 0 346.430 3.950 10 0 EHAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)OCc1ccccc1 ZINC000032530730 212808229 /nfs/dbraw/zinc/80/82/29/212808229.db2.gz VLAZJHLVVVAAGZ-UHFFFAOYSA-N 0 0 335.403 3.670 10 0 EHAERN C[C@H]1C[C@H]1NC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000072094655 216007693 /nfs/dbraw/zinc/00/76/93/216007693.db2.gz BJIKFYPIILMSBS-SMDDNHRTSA-N 0 0 339.420 3.653 10 0 EHAERN CCSc1ncc(-c2nccn2-c2cccc3ncccc32)cn1 ZINC000072132187 216021615 /nfs/dbraw/zinc/02/16/15/216021615.db2.gz KMWAIGUIOIPBMC-UHFFFAOYSA-N 0 0 333.420 3.990 10 0 EHAERN COc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)cn1 ZINC000072161754 216049898 /nfs/dbraw/zinc/04/98/98/216049898.db2.gz KMDHONGLRNNUKX-UHFFFAOYSA-N 0 0 331.379 3.641 10 0 EHAERN CC1CCN(c2nc(Br)c(Br)s2)CC1 ZINC000072192924 216068329 /nfs/dbraw/zinc/06/83/29/216068329.db2.gz YUMSSWMJMDBIID-UHFFFAOYSA-N 0 0 340.084 3.904 10 0 EHAERN CSc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1 ZINC000000044245 209386521 /nfs/dbraw/zinc/38/65/21/209386521.db2.gz AQOBMOJESPQNPD-UHFFFAOYSA-N 0 0 337.404 3.853 10 0 EHAERN O=C(NC1CCCCCC1)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450971 216239044 /nfs/dbraw/zinc/23/90/44/216239044.db2.gz JMKMUDSQGANWTN-UHFFFAOYSA-N 0 0 328.387 3.634 10 0 EHAERN Cc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1cccc(Cl)c1 ZINC000072464998 216246220 /nfs/dbraw/zinc/24/62/20/216246220.db2.gz FQCSEQXHAGXYPC-UHFFFAOYSA-N 0 0 344.846 3.927 10 0 EHAERN Cc1cc(Br)cc(C)c1NC(=O)COc1ccccc1N ZINC000020030714 212095490 /nfs/dbraw/zinc/09/54/90/212095490.db2.gz JCNVNHKDWUELCR-UHFFFAOYSA-N 0 0 349.228 3.666 10 0 EHAERN Cc1cc(NC2CCC3(CC2)OCCO3)ccc1Br ZINC000019908153 212082445 /nfs/dbraw/zinc/08/24/45/212082445.db2.gz GEJMLLNUOZVEAH-UHFFFAOYSA-N 0 0 326.234 3.855 10 0 EHAERN NC(=S)c1ccc(COc2ccc(Br)cc2)c(F)c1 ZINC000019806088 212071102 /nfs/dbraw/zinc/07/11/02/212071102.db2.gz HMBDGMQRFWQKNT-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN NC(=S)c1ccc(Oc2ccc(Cl)cc2Br)nc1 ZINC000019425688 212027405 /nfs/dbraw/zinc/02/74/05/212027405.db2.gz GKEPBHDKSRKXBI-UHFFFAOYSA-N 0 0 343.633 3.924 10 0 EHAERN Fc1cccc(CCNc2nncc(-c3ccc(Cl)cc3)n2)c1 ZINC000012430026 211377418 /nfs/dbraw/zinc/37/74/18/211377418.db2.gz HYRNNOHUOIHOLZ-UHFFFAOYSA-N 0 0 328.778 3.986 10 0 EHAERN Fc1ccc(-c2cnnc(NCCn3ccc4ccccc43)n2)cc1 ZINC000012319752 211344759 /nfs/dbraw/zinc/34/47/59/211344759.db2.gz YEELZCQQHJFDLG-UHFFFAOYSA-N 0 0 333.370 3.745 10 0 EHAERN COc1ccc(CN2Cc3ccccc3O[C@@H](C)C2)c(OC)c1C ZINC000012149330 211307549 /nfs/dbraw/zinc/30/75/49/211307549.db2.gz DPNWFJFWDOJSNU-AWEZNQCLSA-N 0 0 327.424 3.795 10 0 EHAERN CC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000011997358 211278511 /nfs/dbraw/zinc/27/85/11/211278511.db2.gz FHIJJWGFMTUMAL-INIZCTEOSA-N 0 0 341.407 3.597 10 0 EHAERN O=C(NCCc1ccccc1)c1ncoc1-c1cccc(Cl)c1 ZINC000009527383 211097990 /nfs/dbraw/zinc/09/79/90/211097990.db2.gz MHNHAHJGACUIRF-UHFFFAOYSA-N 0 0 326.783 3.968 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2ncc(Cl)cn2)C1 ZINC000095085131 218276529 /nfs/dbraw/zinc/27/65/29/218276529.db2.gz YWPKPTKSCCVZQW-LBPRGKRZSA-N 0 0 341.839 3.546 10 0 EHAERN CN(c1nsc2ccccc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074219 218271728 /nfs/dbraw/zinc/27/17/28/218271728.db2.gz JFGQEPWUPKYKJB-LBPRGKRZSA-N 0 0 333.457 3.742 10 0 EHAERN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2o1 ZINC000095075177 218272533 /nfs/dbraw/zinc/27/25/33/218272533.db2.gz LLPJXQWAUXSAKP-CQSZACIVSA-N 0 0 345.443 3.911 10 0 EHAERN Cc1ccccc1CNc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000008120189 210896757 /nfs/dbraw/zinc/89/67/57/210896757.db2.gz PURFQWPARBDFDU-UHFFFAOYSA-N 0 0 325.799 3.806 10 0 EHAERN CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)c2ccc(F)cc2)C3)n1 ZINC000328605715 258040532 /nfs/dbraw/zinc/04/05/32/258040532.db2.gz OWXLRICQALNECU-AUUYWEPGSA-N 0 0 343.402 3.526 10 0 EHAERN Cc1cccc(NC[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000057340613 258003837 /nfs/dbraw/zinc/00/38/37/258003837.db2.gz CWBVFSJULYXMLH-CQSZACIVSA-N 0 0 349.356 3.837 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3C[C@H]3c3cccnc3)o2)cc1 ZINC000299743504 258009082 /nfs/dbraw/zinc/00/90/82/258009082.db2.gz NVQIPYDWEVFQTE-XLAORIBOSA-N 0 0 333.391 3.981 10 0 EHAERN O=C(Nc1ccccc1NC(=O)N1CCCC1)[C@H]1C[C@H]1c1ccco1 ZINC000123731946 222325286 /nfs/dbraw/zinc/32/52/86/222325286.db2.gz SFFAJZDHOMFEMB-KGLIPLIRSA-N 0 0 339.395 3.650 10 0 EHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2)c1 ZINC000125376359 222554475 /nfs/dbraw/zinc/55/44/75/222554475.db2.gz YJQRZNFMDXUJBU-KGLIPLIRSA-N 0 0 337.345 3.723 10 0 EHAERN CC[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccccc1OC(F)F ZINC000031122886 522472418 /nfs/dbraw/zinc/47/24/18/522472418.db2.gz YRFMBRDHFPGTSW-XBFCOCLRSA-N 0 0 342.386 3.606 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cs1 ZINC000187013810 527047479 /nfs/dbraw/zinc/04/74/79/527047479.db2.gz IDWMLIWXQNHDSN-DXBFTMOHSA-N 0 0 332.469 3.510 10 0 EHAERN COc1ccc(C)cc1N1CCCN(c2cc(C)ccc2O)C1=O ZINC000032105906 563913492 /nfs/dbraw/zinc/91/34/92/563913492.db2.gz FFMMGRQHBUTBSF-UHFFFAOYSA-N 0 0 326.396 3.854 10 0 EHAERN Cn1cccc1-c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 ZINC000072271718 563970859 /nfs/dbraw/zinc/97/08/59/563970859.db2.gz NTHBCJWIDBFAQN-UHFFFAOYSA-N 0 0 343.346 3.945 10 0 EHAERN Cc1nc(C)c(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)s1 ZINC000328631887 564052859 /nfs/dbraw/zinc/05/28/59/564052859.db2.gz RNPZEBNDTXEGLP-LBPRGKRZSA-N 0 0 335.498 3.717 10 0 EHAERN Cc1nc(C)c(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)s1 ZINC000328631886 564137066 /nfs/dbraw/zinc/13/70/66/564137066.db2.gz RNPZEBNDTXEGLP-GFCCVEGCSA-N 0 0 335.498 3.717 10 0 EHAERN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2Br)C[C@]1(C)C(=O)[O-] ZINC000710182426 977490451 /nfs/dbraw/zinc/49/04/51/977490451.db2.gz XCYCBHGQAIIVCG-XPTSAGLGSA-N 0 0 346.652 3.645 10 0 EHAERN O=C([O-])c1sccc1C[NH2+]CCc1sccc1Br ZINC000713066226 977629980 /nfs/dbraw/zinc/62/99/80/977629980.db2.gz VUJHREPEOXKWFH-UHFFFAOYSA-N 0 0 346.271 3.603 10 0 EHAERN O=C([O-])c1csc(C[NH2+]CCc2sccc2Br)c1 ZINC000713087155 977630186 /nfs/dbraw/zinc/63/01/86/977630186.db2.gz NADDUMLRWCLZDT-UHFFFAOYSA-N 0 0 346.271 3.603 10 0 EHAERN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000716231261 977820425 /nfs/dbraw/zinc/82/04/25/977820425.db2.gz QIBVCWIKHDZXLX-WWDZGPRUSA-N 0 0 331.456 3.557 10 0 EHAERN CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000003448931 1014467634 /nfs/dbraw/zinc/46/76/34/1014467634.db2.gz RGQOKYHEZHGYBN-UHFFFAOYSA-N 0 0 337.423 3.888 10 0 EHAERN C[C@]1(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)CC1(Cl)Cl ZINC000182822720 1032099100 /nfs/dbraw/zinc/09/91/00/1032099100.db2.gz JOYUJNWDMZPBAL-BXUZGUMPSA-N 0 0 332.202 3.740 10 0 EHAERN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175864904 1015049584 /nfs/dbraw/zinc/04/95/84/1015049584.db2.gz WZFCCVMAKKCQAW-WBVHZDCISA-N 0 0 332.492 3.520 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1 ZINC000246337327 1016544608 /nfs/dbraw/zinc/54/46/08/1016544608.db2.gz HQSHLKWVKXUDAG-NCOADZHNSA-N 0 0 332.444 3.782 10 0 EHAERN Cc1cc(F)ccc1-n1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)nn1 ZINC000179268180 1016863939 /nfs/dbraw/zinc/86/39/39/1016863939.db2.gz UGQXOGWHACEYMW-KBXCAEBGSA-N 0 0 342.418 3.510 10 0 EHAERN C[C@@H]1CCCC[C@@H]1OCc1noc(-c2cccc3c2OCCO3)n1 ZINC000329766880 1032168361 /nfs/dbraw/zinc/16/83/61/1032168361.db2.gz YRXXYTHWEVMVGV-OCCSQVGLSA-N 0 0 330.384 3.603 10 0 EHAERN Cn1cnc2cc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cnc21 ZINC000183637057 1032214402 /nfs/dbraw/zinc/21/44/02/1032214402.db2.gz RMNSMESABORWES-MRXNPFEDSA-N 0 0 340.814 3.599 10 0 EHAERN Cc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)c(Cl)c1 ZINC000184024481 1032225093 /nfs/dbraw/zinc/22/50/93/1032225093.db2.gz ZQEGIJAPFURAOB-UHFFFAOYSA-N 0 0 344.846 3.788 10 0 EHAERN Cc1c(-c2cc(CN3CC=C(c4cccs4)CC3)on2)cnn1C ZINC000184562285 1032297743 /nfs/dbraw/zinc/29/77/43/1032297743.db2.gz FGAKMEMKFNCAAH-UHFFFAOYSA-N 0 0 340.452 3.734 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000081521184 1032573456 /nfs/dbraw/zinc/57/34/56/1032573456.db2.gz UAKIDFPKXNZUGY-ZDUSSCGKSA-N 0 0 344.386 3.864 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H](C)c3cccs3)C2)c1 ZINC000081640538 1032615801 /nfs/dbraw/zinc/61/58/01/1032615801.db2.gz DQZUPQCRQQVHGG-ZIAGYGMSSA-N 0 0 345.464 3.885 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3sccc3C)C2)c1 ZINC000081640658 1032616345 /nfs/dbraw/zinc/61/63/45/1032616345.db2.gz FGYNYNTWTXGFRN-CYBMUJFWSA-N 0 0 331.437 3.703 10 0 EHAERN Cc1nc2c(c(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)n1)CCCC2 ZINC000275635974 1017846914 /nfs/dbraw/zinc/84/69/14/1017846914.db2.gz NGILRLGZJVNWQO-SFHVURJKSA-N 0 0 337.471 3.607 10 0 EHAERN Cc1nc([C@@H](C)N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cs1 ZINC000330134782 1018012715 /nfs/dbraw/zinc/01/27/15/1018012715.db2.gz SEHNIJHXYGAHGD-RLCCDNCMSA-N 0 0 341.436 3.680 10 0 EHAERN O=C(c1noc2c1CCCCC2)N1CCCC[C@@H]1c1nccs1 ZINC000275819708 1018979841 /nfs/dbraw/zinc/97/98/41/1018979841.db2.gz MOWKETSPHCGTBX-CYBMUJFWSA-N 0 0 331.441 3.767 10 0 EHAERN Cc1ccc([C@H]2C[C@H](C)CCN2c2ccc3nnc(C(F)F)n3n2)o1 ZINC000092659004 1032806366 /nfs/dbraw/zinc/80/63/66/1032806366.db2.gz XJUZGHCOOQCKBP-ZYHUDNBSSA-N 0 0 347.369 3.941 10 0 EHAERN Cc1cc(C)c(NC(=O)N2CCC(c3nccs3)CC2)c(C)n1 ZINC000408472137 1019360740 /nfs/dbraw/zinc/36/07/40/1019360740.db2.gz ZCBFXZOVXLJZDX-UHFFFAOYSA-N 0 0 330.457 3.875 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000588389553 1020065101 /nfs/dbraw/zinc/06/51/01/1020065101.db2.gz PLAOBHALYHERMH-IDWGIVCRSA-N 0 0 335.375 3.744 10 0 EHAERN Cc1cncc(/C=C\C(=O)OCCCN(CC(F)(F)F)C(C)C)c1 ZINC000588411882 1020903081 /nfs/dbraw/zinc/90/30/81/1020903081.db2.gz WZXKVFBBARDOQV-WAYWQWQTSA-N 0 0 344.377 3.609 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@H]1CCCC(F)(F)C1 ZINC000333999661 1021570571 /nfs/dbraw/zinc/57/05/71/1021570571.db2.gz QNHPAIRZGVCNPW-AGIUHOORSA-N 0 0 344.427 3.845 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1F ZINC000247941477 1021631493 /nfs/dbraw/zinc/63/14/93/1021631493.db2.gz DBADSGLCGHSQJG-URLQWDBASA-N 0 0 334.435 3.532 10 0 EHAERN C[C@@H]1CC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H](C)O1 ZINC000093905297 1021996712 /nfs/dbraw/zinc/99/67/12/1021996712.db2.gz MVEWBBKKFFIBNV-CHWSQXEVSA-N 0 0 331.412 3.870 10 0 EHAERN O=C(c1ccc(Cl)cc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000126292214 1022194969 /nfs/dbraw/zinc/19/49/69/1022194969.db2.gz RTQGQZSWWIBQEN-BZNIZROVSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(N1CC[C@@]2(O)CCCC[C@@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000127658599 1022394871 /nfs/dbraw/zinc/39/48/71/1022394871.db2.gz ZAHJHQYPMYACTM-BEFAXECRSA-N 0 0 333.859 3.525 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128208947 1022420045 /nfs/dbraw/zinc/42/00/45/1022420045.db2.gz WYYQAEZQKGBTLQ-BLLLJJGKSA-N 0 0 342.361 3.864 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)C[C@H]2CCCc3ccccc32)[nH]1 ZINC000328748609 1022481077 /nfs/dbraw/zinc/48/10/77/1022481077.db2.gz QMVVKOSFSLORNB-SJLPKXTDSA-N 0 0 338.455 3.677 10 0 EHAERN O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)N[C@H]1CCCC[C@H]1O ZINC000334112874 1022482705 /nfs/dbraw/zinc/48/27/05/1022482705.db2.gz DMUHTRVRSUIPMC-PQEBFOHHSA-N 0 0 336.863 3.579 10 0 EHAERN O=C(/C=C\c1ccccc1Cl)OC1CCN(CC(F)F)CC1 ZINC000588448277 1022874386 /nfs/dbraw/zinc/87/43/86/1022874386.db2.gz FUCIJIVYCSGIAJ-WAYWQWQTSA-N 0 0 329.774 3.626 10 0 EHAERN Cc1cccnc1C=CC(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000588453550 1023041070 /nfs/dbraw/zinc/04/10/70/1023041070.db2.gz AOYHSSCIXMODQX-SREVYHEPSA-N 0 0 346.312 3.937 10 0 EHAERN CCCCCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164413767 1023228517 /nfs/dbraw/zinc/22/85/17/1023228517.db2.gz TZXWUERBRSYLSI-RDJZCZTQSA-N 0 0 334.504 3.595 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000180308078 1023267235 /nfs/dbraw/zinc/26/72/35/1023267235.db2.gz FNGFHOAVFDBXQX-KBXCAEBGSA-N 0 0 340.471 3.935 10 0 EHAERN O=C(Nc1cc(Cl)ccc1F)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000080738752 1023280486 /nfs/dbraw/zinc/28/04/86/1023280486.db2.gz GTPLFTDLRMKUPR-UKRRQHHQSA-N 0 0 336.798 3.981 10 0 EHAERN C[C@H](NC(=O)N(C)[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000180323963 1023280771 /nfs/dbraw/zinc/28/07/71/1023280771.db2.gz RRAUKAKDUFGXNB-UWVGGRQHSA-N 0 0 326.853 3.599 10 0 EHAERN CN(C)C(=O)c1cc(F)ccc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000588474919 1023782738 /nfs/dbraw/zinc/78/27/38/1023782738.db2.gz YZZXVWKTJQALGR-ARJAWSKDSA-N 0 0 344.361 3.709 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)NCc1nc2cc(C)ccc2n1C ZINC000588484283 1023943516 /nfs/dbraw/zinc/94/35/16/1023943516.db2.gz ICUHLGQUTUQHTR-KAMYIIQDSA-N 0 0 337.398 3.741 10 0 EHAERN Cc1cc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)ccc1F ZINC000103025323 1024018828 /nfs/dbraw/zinc/01/88/28/1024018828.db2.gz VXIXEIFAKAOYOW-BDJLRTHQSA-N 0 0 326.371 3.981 10 0 EHAERN Cc1nc(CCNC(=O)N2CC=C(c3ccccc3)CC2)sc1C ZINC000151152912 1024065504 /nfs/dbraw/zinc/06/55/04/1024065504.db2.gz WXCBSILAXXMADL-UHFFFAOYSA-N 0 0 341.480 3.801 10 0 EHAERN CC(C)c1cc(C(=O)N2CCCc3c(N)cccc32)nn1C(C)(C)C ZINC000236682036 1024087928 /nfs/dbraw/zinc/08/79/28/1024087928.db2.gz UHCBRIOZAHPCIW-UHFFFAOYSA-N 0 0 340.471 3.937 10 0 EHAERN Cn1ncc2c1C[C@H](c1nc(C(C)(C)C3CCCCC3)no1)CC2 ZINC000329700518 1024103662 /nfs/dbraw/zinc/10/36/62/1024103662.db2.gz ZVSJEZJWWIXJFL-CYBMUJFWSA-N 0 0 328.460 3.934 10 0 EHAERN CC(C)c1nnc([C@@H]2CCCCN2Cc2nc(C3CCCC3)no2)[nH]1 ZINC000329801158 1024201245 /nfs/dbraw/zinc/20/12/45/1024201245.db2.gz YQNLFCYABCMQSP-AWEZNQCLSA-N 0 0 344.463 3.696 10 0 EHAERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[C@@H]1CCCCNC1=O ZINC000329818532 1024208866 /nfs/dbraw/zinc/20/88/66/1024208866.db2.gz FURSGZKEAXXURQ-OLZOCXBDSA-N 0 0 345.468 3.962 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2oc(CC3CC3)nc2C)C12CCCC2 ZINC000330005095 1024283504 /nfs/dbraw/zinc/28/35/04/1024283504.db2.gz DAZJXALYURMSIP-JKSUJKDBSA-N 0 0 346.471 3.745 10 0 EHAERN Cc1oc2ccccc2c1CN1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O ZINC000330252744 1024374124 /nfs/dbraw/zinc/37/41/24/1024374124.db2.gz AGBYCHWCAUATNA-COXVUDFISA-N 0 0 338.407 3.837 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CCO2)o1 ZINC000151668574 1024375035 /nfs/dbraw/zinc/37/50/35/1024375035.db2.gz SPPFKULZINJSKV-LBTNJELSSA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)N[C@@H]3CCO[C@@H]3C3CC3)o2)cc1C ZINC000330271749 1024379759 /nfs/dbraw/zinc/37/97/59/1024379759.db2.gz WLUNILSILUANAI-IAOVAPTHSA-N 0 0 327.428 3.572 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CCO2)o1 ZINC000151696037 1024429211 /nfs/dbraw/zinc/42/92/11/1024429211.db2.gz RRHAJOSFPNPZHS-RKVPGOIHSA-N 0 0 345.826 3.945 10 0 EHAERN CC(C)(C)c1nc(CSc2n[nH]c(-c3cccnc3)n2)cs1 ZINC000102829590 1024494032 /nfs/dbraw/zinc/49/40/32/1024494032.db2.gz LRCPHPVTZPGLPZ-UHFFFAOYSA-N 0 0 331.470 3.913 10 0 EHAERN Cc1cccc(NC2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000151783857 1024624547 /nfs/dbraw/zinc/62/45/47/1024624547.db2.gz RJCKCBLXEQIAIX-INIZCTEOSA-N 0 0 341.282 3.982 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)Nc1ccnn1-c1cccc(F)c1 ZINC000588491022 1024668847 /nfs/dbraw/zinc/66/88/47/1024668847.db2.gz GXVUMUOIRMKJKV-PLNGDYQASA-N 0 0 342.761 3.712 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000153605453 1025216513 /nfs/dbraw/zinc/21/65/13/1025216513.db2.gz IENGHFDXOAQSLQ-JKSUJKDBSA-N 0 0 347.507 3.704 10 0 EHAERN O=C(C1CC1)N1CCC[C@H](c2nc(C(C3CCC3)C3CCC3)no2)C1 ZINC000329000978 1025566826 /nfs/dbraw/zinc/56/68/26/1025566826.db2.gz LCQMLHDLEJXNLC-INIZCTEOSA-N 0 0 343.471 3.869 10 0 EHAERN O=C(c1csc([C@@H]2CCCO2)n1)N1CC=C(c2cccs2)CC1 ZINC000152402090 1025917752 /nfs/dbraw/zinc/91/77/52/1025917752.db2.gz ZMLZZSBYVWHEFU-AWEZNQCLSA-N 0 0 346.477 3.986 10 0 EHAERN CC(C)C(=O)N1CCC(c2nc(CO[C@H]3CCCC[C@H]3C)no2)CC1 ZINC000329549156 1025981955 /nfs/dbraw/zinc/98/19/55/1025981955.db2.gz BKRGXOUAGXXCEW-ZBFHGGJFSA-N 0 0 349.475 3.527 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)/C=C\c2ccco2)CC1 ZINC000588522919 1026379092 /nfs/dbraw/zinc/37/90/92/1026379092.db2.gz RYZVAGXMVOLKCJ-CDNLZTBQSA-N 0 0 335.400 3.626 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000588525985 1026454039 /nfs/dbraw/zinc/45/40/39/1026454039.db2.gz WEPVFDQKDAZTLV-HMZRMUTASA-N 0 0 327.399 3.643 10 0 EHAERN O=C(c1ccnc(OCC(F)F)c1)N1CC=C(c2ccccc2)CC1 ZINC000122689279 1026647432 /nfs/dbraw/zinc/64/74/32/1026647432.db2.gz RJJVRXHLYYBSEC-UHFFFAOYSA-N 0 0 344.361 3.655 10 0 EHAERN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCC1(CCO)CC1 ZINC000588532011 1026710690 /nfs/dbraw/zinc/71/06/90/1026710690.db2.gz KWKBMAHJHWWIAY-UKTHLTGXSA-N 0 0 347.764 3.565 10 0 EHAERN COc1ccc(C)cc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000152970812 1026898418 /nfs/dbraw/zinc/89/84/18/1026898418.db2.gz OPDKRSIBEFSOJP-QGZVFWFLSA-N 0 0 330.384 3.510 10 0 EHAERN CCCOc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000153072051 1027003282 /nfs/dbraw/zinc/00/32/82/1027003282.db2.gz JISPGMQVACGLQE-SFHVURJKSA-N 0 0 344.411 3.982 10 0 EHAERN O=C(C1CCCCC1)N1CC[C@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000301982600 1027014935 /nfs/dbraw/zinc/01/49/35/1027014935.db2.gz YEVFPUSCPSZVJW-AWEZNQCLSA-N 0 0 348.878 3.601 10 0 EHAERN CC(=O)N1CC[C@@H](Nc2ccnc(Cl)c2)c2ccc(F)cc2C1 ZINC000302204406 1027089298 /nfs/dbraw/zinc/08/92/98/1027089298.db2.gz VESFNWCWLIKKLH-MRXNPFEDSA-N 0 0 333.794 3.780 10 0 EHAERN Cc1c(/C=C/C(=O)N2CCc3cc(-c4ccccc4)oc3C2)cnn1C ZINC000126393942 1027197125 /nfs/dbraw/zinc/19/71/25/1027197125.db2.gz GKDCNBMKKBYXJA-CMDGGOBGSA-N 0 0 347.418 3.587 10 0 EHAERN O=C(C=Cc1ccnc(Cl)c1)Nc1ccc(Cl)c(Cl)n1 ZINC000588545705 1027249918 /nfs/dbraw/zinc/24/99/18/1027249918.db2.gz IMHDLKWRMSBXGJ-RJRFIUFISA-N 0 0 328.586 3.511 10 0 EHAERN Cc1cc([C@H]2CN(C(=O)[C@@]3(C)CC3(Cl)Cl)CCO2)ccc1F ZINC000129033491 1027513601 /nfs/dbraw/zinc/51/36/01/1027513601.db2.gz XIXYPTABTOPKKP-UKRRQHHQSA-N 0 0 346.229 3.618 10 0 EHAERN CCNc1ncc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)s1 ZINC000129122850 1027524220 /nfs/dbraw/zinc/52/42/20/1027524220.db2.gz GBWVHUFXEHYSOB-TZMCWYRMSA-N 0 0 345.468 3.602 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2cccc(C=O)c2)o1 ZINC000129145304 1027526341 /nfs/dbraw/zinc/52/63/41/1027526341.db2.gz SBRYRSSCPLKHIA-YJBOKZPZSA-N 0 0 341.407 3.922 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-n1ccnc1 ZINC000129196952 1027531122 /nfs/dbraw/zinc/53/11/22/1027531122.db2.gz XBSZFZMHFFATMX-OALUTQOASA-N 0 0 331.419 3.601 10 0 EHAERN CN1CC[C@@H](CNC(=O)Cc2cnc3ccccc3c2)c2ccccc21 ZINC000129993118 1027625378 /nfs/dbraw/zinc/62/53/78/1027625378.db2.gz VBKNYEDUPAXCDZ-SFHVURJKSA-N 0 0 345.446 3.517 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3cncc(C)c3)C2)cc1 ZINC000130277735 1027652050 /nfs/dbraw/zinc/65/20/50/1027652050.db2.gz AXLDSPMBMROPFA-QCKLZESPSA-N 0 0 336.435 3.816 10 0 EHAERN O=C(c1cccc(OCc2ccccc2)c1)N1CC[C@]2(CCOC2)C1 ZINC000153363138 1027755408 /nfs/dbraw/zinc/75/54/08/1027755408.db2.gz KQABBWTXQXOYJN-NRFANRHFSA-N 0 0 337.419 3.518 10 0 EHAERN Cc1csc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1 ZINC000246135495 1027802759 /nfs/dbraw/zinc/80/27/59/1027802759.db2.gz ALFMZHJVHXQVHQ-UKRRQHHQSA-N 0 0 343.279 3.848 10 0 EHAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](C)c3cc(C)oc3C)C2)c1 ZINC000111843647 1027937555 /nfs/dbraw/zinc/93/75/55/1027937555.db2.gz WADDNZOKSAFYIL-GDBMZVCRSA-N 0 0 330.432 3.509 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1csc(-c2ccsc2)n1 ZINC000246232299 1028040631 /nfs/dbraw/zinc/04/06/31/1028040631.db2.gz WSCJBEBIXAHINR-IACUBPJLSA-N 0 0 346.477 3.559 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)o1 ZINC000133813579 1028071750 /nfs/dbraw/zinc/07/17/50/1028071750.db2.gz KRVNENKENWIXKS-LJQANCHMSA-N 0 0 338.407 3.602 10 0 EHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)n1 ZINC000135427673 1028192224 /nfs/dbraw/zinc/19/22/24/1028192224.db2.gz NQXVEANBUHYBCV-VNQPRFMTSA-N 0 0 345.393 3.545 10 0 EHAERN O=C(c1cccc(Br)n1)N1CC=C(c2cccs2)CC1 ZINC000137139664 1028294334 /nfs/dbraw/zinc/29/43/34/1028294334.db2.gz NPHSWNWPJNGCLW-UHFFFAOYSA-N 0 0 349.253 3.835 10 0 EHAERN CN(C(=O)[C@H](c1ccccc1)N1CCc2ccccc21)c1nccs1 ZINC000105367603 1028348544 /nfs/dbraw/zinc/34/85/44/1028348544.db2.gz ZXDNCISUNREUGA-SFHVURJKSA-N 0 0 349.459 3.910 10 0 EHAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048810 1028354293 /nfs/dbraw/zinc/35/42/93/1028354293.db2.gz IXHYUJAPXXYTFO-CQSZACIVSA-N 0 0 339.464 3.882 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 ZINC000062130916 1028440909 /nfs/dbraw/zinc/44/09/09/1028440909.db2.gz NJJSUOXZZKUTGF-UHFFFAOYSA-N 0 0 345.874 3.635 10 0 EHAERN O=C(Nc1ccccc1Br)[C@@H]1CCCc2cccnc21 ZINC000193754232 1028462898 /nfs/dbraw/zinc/46/28/98/1028462898.db2.gz CDTXFNZVGASWMV-GFCCVEGCSA-N 0 0 331.213 3.903 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@H]2CCCCC2(C)C)c2ccccc2)[nH]1 ZINC000194011356 1028484697 /nfs/dbraw/zinc/48/46/97/1028484697.db2.gz LDHJAVHTOLKCSP-HZPDHXFCSA-N 0 0 326.444 3.535 10 0 EHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCc3cccnc32)c1 ZINC000194101318 1028490997 /nfs/dbraw/zinc/49/09/97/1028490997.db2.gz MVOHYNWVIRASRJ-CQSZACIVSA-N 0 0 343.814 3.752 10 0 EHAERN C[C@@H](OC(=O)[C@H]1CCCc2cccnc21)c1nc2ccccc2n1C ZINC000194532496 1028540071 /nfs/dbraw/zinc/54/00/71/1028540071.db2.gz RJDZLDCELCATLW-HIFRSBDPSA-N 0 0 335.407 3.693 10 0 EHAERN COc1cccc(C2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)c1 ZINC000195003032 1028567685 /nfs/dbraw/zinc/56/76/85/1028567685.db2.gz FUJNQXTVOHCTKI-OAHLLOKOSA-N 0 0 339.439 3.740 10 0 EHAERN O[C@H](C[C@@H]1CCCN1c1cnc2ccccc2n1)c1cccs1 ZINC000246498559 1028630839 /nfs/dbraw/zinc/63/08/39/1028630839.db2.gz MYKNJFFDBNIXSY-XJKSGUPXSA-N 0 0 325.437 3.784 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CSCCS2)o1 ZINC000246543706 1028654674 /nfs/dbraw/zinc/65/46/74/1028654674.db2.gz JYJKEZDWLUYDOL-OSAQELSMSA-N 0 0 325.499 3.736 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000246635295 1028669729 /nfs/dbraw/zinc/66/97/29/1028669729.db2.gz JGXIQBVRYYJWQL-UHZRXMQZSA-N 0 0 327.468 3.927 10 0 EHAERN O=C(Nc1cccc2[nH]ccc21)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246998512 1028723512 /nfs/dbraw/zinc/72/35/12/1028723512.db2.gz UDHBPLSBCDPICV-KBRIMQKVSA-N 0 0 325.412 3.637 10 0 EHAERN COCc1ccsc1C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000245535998 1028777496 /nfs/dbraw/zinc/77/74/96/1028777496.db2.gz XCMNBCMSEMDDER-CPUCHLNUSA-N 0 0 345.464 3.885 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N(C)C1CCCCCCC1 ZINC000153814060 1028786995 /nfs/dbraw/zinc/78/69/95/1028786995.db2.gz NGCMYJHOEFALQW-MRXNPFEDSA-N 0 0 347.507 3.991 10 0 EHAERN O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247469374 1028793447 /nfs/dbraw/zinc/79/34/47/1028793447.db2.gz QCIGMBBPDQDMOX-SUHUHFCYSA-N 0 0 346.324 3.924 10 0 EHAERN O=C(c1ccc(Cl)cc1O)N1CCC(Nc2ccccc2F)CC1 ZINC000075805820 1028794748 /nfs/dbraw/zinc/79/47/48/1028794748.db2.gz AEPDIIKIDALCLK-UHFFFAOYSA-N 0 0 348.805 3.901 10 0 EHAERN Cc1ccccc1[C@@H]1CN(Cc2ncn(-c3ccccc3)n2)[C@@H](C)CO1 ZINC000245546211 1028806304 /nfs/dbraw/zinc/80/63/04/1028806304.db2.gz WCEOYZOTBGUQQY-PXNSSMCTSA-N 0 0 348.450 3.538 10 0 EHAERN Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248395871 1028892757 /nfs/dbraw/zinc/89/27/57/1028892757.db2.gz JQJIKBJTBWOTMK-ARFHVFGLSA-N 0 0 341.411 3.729 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248645932 1028933937 /nfs/dbraw/zinc/93/39/37/1028933937.db2.gz OVPAJOFDDBYHBR-MUKKUYKPSA-N 0 0 346.446 3.562 10 0 EHAERN CCC[C@@H]1C[C@@H](C(=O)Oc2ccc3c(c2)OC(=O)C[C@H]3C)CCO1 ZINC000248735447 1028944252 /nfs/dbraw/zinc/94/42/52/1028944252.db2.gz NXPZWSFKWGLRJP-HZSPNIEDSA-N 0 0 332.396 3.600 10 0 EHAERN Cc1ccccc1[C@@H]1CN(C(=O)N[C@H](C)c2ccncc2)[C@H](C)CO1 ZINC000245656900 1028980196 /nfs/dbraw/zinc/98/01/96/1028980196.db2.gz CRIZSQSYUNNAAF-MDZRGWNJSA-N 0 0 339.439 3.623 10 0 EHAERN COc1ccc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1O ZINC000245710699 1029105215 /nfs/dbraw/zinc/10/52/15/1029105215.db2.gz FVZWGCJTOKVWMP-DJJJIMSYSA-N 0 0 331.387 3.502 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@H]1c1cccs1 ZINC000077854462 1029163223 /nfs/dbraw/zinc/16/32/23/1029163223.db2.gz XTEMXOBJVDSLOJ-SJORKVTESA-N 0 0 344.480 3.761 10 0 EHAERN O=C(Nc1ccccc1SC(F)(F)F)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251898634 1029168180 /nfs/dbraw/zinc/16/81/80/1029168180.db2.gz QUVUPMKBZUAMKI-MVWJERBFSA-N 0 0 346.374 3.988 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3sc(C)nc3C)C2)cc1 ZINC000078185664 1029223524 /nfs/dbraw/zinc/22/35/24/1029223524.db2.gz XPBWHGCBSSXOKX-XHDPSFHLSA-N 0 0 330.453 3.787 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(c3nnc(C(F)(F)F)s3)C2)cc1 ZINC000154761104 1029306429 /nfs/dbraw/zinc/30/64/29/1029306429.db2.gz OKMBHTJFDGRXHS-GXSJLCMTSA-N 0 0 343.374 3.948 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000245955861 1029515428 /nfs/dbraw/zinc/51/54/28/1029515428.db2.gz QOOXEDXRKCMYDI-BQDHKBFISA-N 0 0 333.428 3.537 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H](c3ccccc3)C3CC3)CC2)n1 ZINC000155481455 1029551812 /nfs/dbraw/zinc/55/18/12/1029551812.db2.gz AIXNORAPMQKBJW-NRFANRHFSA-N 0 0 349.478 3.669 10 0 EHAERN O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1csc(C3CCCCC3)n1)C2 ZINC000262250922 1029576048 /nfs/dbraw/zinc/57/60/48/1029576048.db2.gz ZHYBUVXDOPAGPK-KBXCAEBGSA-N 0 0 334.485 3.878 10 0 EHAERN Cc1nc([C@H](NC(=O)C=C2CCC(C)CC2)c2ccccc2F)no1 ZINC000114651601 1029580976 /nfs/dbraw/zinc/58/09/76/1029580976.db2.gz SBONHCSPNLDLRT-VMHBGOFLSA-N 0 0 343.402 3.859 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(F)ccc3O)C2)cc1 ZINC000080029378 1029812179 /nfs/dbraw/zinc/81/21/79/1029812179.db2.gz BNEYGWWINRLCMS-TZMCWYRMSA-N 0 0 329.371 3.558 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)CC2)n1 ZINC000156328095 1029815047 /nfs/dbraw/zinc/81/50/47/1029815047.db2.gz NPYGAWNLUMYYHK-MOPGFXCFSA-N 0 0 341.499 3.691 10 0 EHAERN Cc1csc2nc(C)nc(N3CCC[C@@H]3C[C@@H](O)c3ccco3)c12 ZINC000274651322 1029844862 /nfs/dbraw/zinc/84/48/62/1029844862.db2.gz GKNIVRSBOGRFDA-ZIAGYGMSSA-N 0 0 343.452 3.994 10 0 EHAERN CC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1C ZINC000089446738 1029911706 /nfs/dbraw/zinc/91/17/06/1029911706.db2.gz NPTCARGBZXXTIK-GOSISDBHSA-N 0 0 342.395 3.704 10 0 EHAERN CCOc1ccc([C@H]2CCCN2C(=O)C[C@H](O)c2ccccc2)cc1 ZINC000091031043 1030211791 /nfs/dbraw/zinc/21/17/91/1030211791.db2.gz HEAMHDLXZTVDIH-UXHICEINSA-N 0 0 339.435 3.873 10 0 EHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000091080055 1030219422 /nfs/dbraw/zinc/21/94/22/1030219422.db2.gz XXGDKTMGWMBBIF-DOJUMQAQSA-N 0 0 346.434 3.952 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3c(Cl)n(C)nc3C(C)C)CCO2)o1 ZINC000093864915 1030686789 /nfs/dbraw/zinc/68/67/89/1030686789.db2.gz RFASDPKIZYLNBC-HNNXBMFYSA-N 0 0 337.851 3.672 10 0 EHAERN COc1cccc(NC(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000171247182 1030751012 /nfs/dbraw/zinc/75/10/12/1030751012.db2.gz ZMPYTLYLVSLFNJ-UHFFFAOYSA-N 0 0 331.441 3.872 10 0 EHAERN O=Cc1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1 ZINC000171379076 1030755319 /nfs/dbraw/zinc/75/53/19/1030755319.db2.gz FTQPCTYNRQBWMX-UHFFFAOYSA-N 0 0 345.402 3.951 10 0 EHAERN Cc1ccc2cc(C(=O)N3CCC[C@H](c4nccs4)C3)[nH]c2c1 ZINC000171647314 1030773043 /nfs/dbraw/zinc/77/30/43/1030773043.db2.gz BKNLFEZQDLIMAF-AWEZNQCLSA-N 0 0 325.437 3.953 10 0 EHAERN CC(C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000171599584 1030799877 /nfs/dbraw/zinc/79/98/77/1030799877.db2.gz QWUWOBUOIGEIBH-JKIFEVAISA-N 0 0 346.496 3.821 10 0 EHAERN CCn1cc(C2CCN(C(=O)c3cc4cccc(C)c4o3)CC2)cn1 ZINC000329454518 1030804505 /nfs/dbraw/zinc/80/45/05/1030804505.db2.gz PNJQUCVVCCPRPA-UHFFFAOYSA-N 0 0 337.423 3.977 10 0 EHAERN COc1cccc(NC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171807720 1030822852 /nfs/dbraw/zinc/82/28/52/1030822852.db2.gz BMQPRRGQRBWTNJ-UHFFFAOYSA-N 0 0 325.412 3.577 10 0 EHAERN CCOC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000171922641 1030851040 /nfs/dbraw/zinc/85/10/40/1030851040.db2.gz JRZJXMUKTJQDRJ-JKSUJKDBSA-N 0 0 330.453 3.627 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000172039566 1030866452 /nfs/dbraw/zinc/86/64/52/1030866452.db2.gz ZJUXQEZWTZGNTH-BONVTDFDSA-N 0 0 325.393 3.641 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ncccc3C)C2)cc1 ZINC000172637730 1030951992 /nfs/dbraw/zinc/95/19/92/1030951992.db2.gz KUKUVSIOLCNKLJ-GOEBONIOSA-N 0 0 325.412 3.809 10 0 EHAERN CCCOc1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c(C)c1 ZINC000172471503 1030963701 /nfs/dbraw/zinc/96/37/01/1030963701.db2.gz UDYZATKDQAPJSU-OALUTQOASA-N 0 0 340.423 3.564 10 0 EHAERN O=C(NCCC1CC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000173305219 1031076742 /nfs/dbraw/zinc/07/67/42/1031076742.db2.gz BLXFKFALCLTSNH-KRWDZBQOSA-N 0 0 338.455 3.766 10 0 EHAERN CCN(C(=O)c1cccc(N2CCNC2=O)c1C)[C@H]1CCCC[C@@H]1C ZINC000173456840 1031091225 /nfs/dbraw/zinc/09/12/25/1031091225.db2.gz QBFPHZOPCPZFHL-YOEHRIQHSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1nc([C@H](C)NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cs1 ZINC000329560175 1031117453 /nfs/dbraw/zinc/11/74/53/1031117453.db2.gz RCUNOLKZQPPQJU-BLLLJJGKSA-N 0 0 330.453 3.837 10 0 EHAERN C[C@@H](CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)Cc1cccc(F)c1 ZINC000174305567 1031228650 /nfs/dbraw/zinc/22/86/50/1031228650.db2.gz PNPZWSFBWXDLFK-GDBMZVCRSA-N 0 0 329.419 3.524 10 0 EHAERN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(C=O)cc3)c2)n1 ZINC000175100105 1031273861 /nfs/dbraw/zinc/27/38/61/1031273861.db2.gz CEJVJUUECXZLAP-UHFFFAOYSA-N 0 0 335.363 3.672 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(SC)o3)C2)c1 ZINC000175413373 1031307241 /nfs/dbraw/zinc/30/72/41/1031307241.db2.gz PGDTVIPDNJZZKI-LBPRGKRZSA-N 0 0 347.436 3.648 10 0 EHAERN O=C(CC1CCCCCC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000176471205 1031442012 /nfs/dbraw/zinc/44/20/12/1031442012.db2.gz QDHIVMNFAWNHOE-UHFFFAOYSA-N 0 0 348.512 3.783 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000176691519 1031474674 /nfs/dbraw/zinc/47/46/74/1031474674.db2.gz QIFYNTJINXXOKU-BJRSVTDJSA-N 0 0 325.412 3.575 10 0 EHAERN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177797332 1031569245 /nfs/dbraw/zinc/56/92/45/1031569245.db2.gz IUDGWEPQXMGMSZ-HNNXBMFYSA-N 0 0 341.342 3.672 10 0 EHAERN CO[C@H]1CCCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000178233032 1031645277 /nfs/dbraw/zinc/64/52/77/1031645277.db2.gz WTGYBBNAXYOKNQ-RDJZCZTQSA-N 0 0 344.455 3.643 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cc(Cl)cc4c3OCOC4)CCO2)o1 ZINC000158891840 1031696027 /nfs/dbraw/zinc/69/60/27/1031696027.db2.gz WBECYXHLWZPUBO-QGZVFWFLSA-N 0 0 349.814 3.681 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)c2ccccc2)[nH]1 ZINC000178854475 1031735164 /nfs/dbraw/zinc/73/51/64/1031735164.db2.gz PHORZEICLWBFHU-HOTGVXAUSA-N 0 0 326.444 3.535 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2ccc(Cl)nc2)c2ccccc2)[nH]1 ZINC000179119504 1031751411 /nfs/dbraw/zinc/75/14/11/1031751411.db2.gz LTDRONJLEJQRKL-BZNIZROVSA-N 0 0 327.819 3.602 10 0 EHAERN O=C(c1cnc2ccc(F)cc2c1)N1CCC[C@H](c2nccs2)C1 ZINC000179320681 1031766032 /nfs/dbraw/zinc/76/60/32/1031766032.db2.gz CFEGLVVADBXTGL-LBPRGKRZSA-N 0 0 341.411 3.850 10 0 EHAERN CCn1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c2ccccc21 ZINC000179344373 1031767054 /nfs/dbraw/zinc/76/70/54/1031767054.db2.gz BEGNDUXMFOXDTD-LJQANCHMSA-N 0 0 338.407 3.776 10 0 EHAERN CCCO[C@H]1CCCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179494639 1031779684 /nfs/dbraw/zinc/77/96/84/1031779684.db2.gz XQTUPKIZAGLWMW-INIZCTEOSA-N 0 0 342.443 3.890 10 0 EHAERN O=C(C[C@H]1CCOc2ccccc21)NCC(=O)c1ccc(Cl)cc1 ZINC000179556287 1031784144 /nfs/dbraw/zinc/78/41/44/1031784144.db2.gz UXEJRJXSAPUFAH-CQSZACIVSA-N 0 0 343.810 3.595 10 0 EHAERN CC(C)c1noc(CCC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000117723528 1031842348 /nfs/dbraw/zinc/84/23/48/1031842348.db2.gz ZQNVKLNFTOLIQU-UHFFFAOYSA-N 0 0 331.441 3.503 10 0 EHAERN CCO[C@@H](C)c1nc(CN2CCO[C@H](c3ccc(C)o3)C2)cs1 ZINC000159079626 1031842428 /nfs/dbraw/zinc/84/24/28/1031842428.db2.gz PEPBVDLCZXFCGO-BBRMVZONSA-N 0 0 336.457 3.716 10 0 EHAERN Cc1ccc([C@H]2CN(CC(=O)Nc3cc(Cl)ccc3C)CCO2)o1 ZINC000159085506 1031865329 /nfs/dbraw/zinc/86/53/29/1031865329.db2.gz XOOUZEKTHPXQID-QGZVFWFLSA-N 0 0 348.830 3.562 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)CCCc3cccs3)CC2)nc1 ZINC000180862355 1031915572 /nfs/dbraw/zinc/91/55/72/1031915572.db2.gz XYEAONKGLSGGDP-UHFFFAOYSA-N 0 0 344.480 3.844 10 0 EHAERN Cc1ccnc2c1NC(=O)CN2C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000180863152 1031916808 /nfs/dbraw/zinc/91/68/08/1031916808.db2.gz MZKHLZAPCQDLTB-AWEZNQCLSA-N 0 0 345.402 3.632 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)C(C)(C)c3cccs3)CC2)nc1 ZINC000181567996 1032005560 /nfs/dbraw/zinc/00/55/60/1032005560.db2.gz CRWIKLUMKONKRC-UHFFFAOYSA-N 0 0 344.480 3.799 10 0 EHAERN CCn1cc(C2CCN(C(=O)NC3C[C@H](C)C[C@@H](C)C3)CC2)cn1 ZINC000172514335 1033298758 /nfs/dbraw/zinc/29/87/58/1033298758.db2.gz AFBYJULNKAKBPB-HUUCEWRRSA-N 0 0 332.492 3.617 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000105376376 1033470930 /nfs/dbraw/zinc/47/09/30/1033470930.db2.gz JHVVSTRSAMNNMO-UHFFFAOYSA-N 0 0 329.371 3.903 10 0 EHAERN CCOc1ccc(CCC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000101525009 1033738421 /nfs/dbraw/zinc/73/84/21/1033738421.db2.gz MMHDTAOBAAFTPF-UHFFFAOYSA-N 0 0 337.379 3.707 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(-c2ccccc2)no1 ZINC000101525221 1033739532 /nfs/dbraw/zinc/73/95/32/1033739532.db2.gz WACBNVQCEFNEMD-UHFFFAOYSA-N 0 0 332.319 3.644 10 0 EHAERN CCN(Cc1nnc(-c2ccccc2)n1C)Cc1c(F)cccc1F ZINC000101561630 1033787652 /nfs/dbraw/zinc/78/76/52/1033787652.db2.gz BQQHEBCOYKVGPW-UHFFFAOYSA-N 0 0 342.393 3.782 10 0 EHAERN CC(=O)Nc1cccc(CSCC(=O)Nc2ccccc2F)c1 ZINC000101586419 1033834245 /nfs/dbraw/zinc/83/42/45/1033834245.db2.gz JVQRQYLBJCOATA-UHFFFAOYSA-N 0 0 332.400 3.656 10 0 EHAERN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101843201 1034280698 /nfs/dbraw/zinc/28/06/98/1034280698.db2.gz PIQPSGFBKPEYSG-CYBMUJFWSA-N 0 0 348.406 3.755 10 0 EHAERN COc1ccc([C@@H](C)NCc2noc(-c3ccccc3)n2)cc1F ZINC000102184947 1034425865 /nfs/dbraw/zinc/42/58/65/1034425865.db2.gz KMTCEABIXWNVPL-GFCCVEGCSA-N 0 0 327.359 3.735 10 0 EHAERN CCN(C(=O)c1ccc(C)nc1C)c1ccc(Br)cn1 ZINC000102256401 1034461522 /nfs/dbraw/zinc/46/15/22/1034461522.db2.gz VEONNOASTAATMV-UHFFFAOYSA-N 0 0 334.217 3.523 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3[nH]nc4ccccc43)C2)cc1 ZINC000121300199 1034647052 /nfs/dbraw/zinc/64/70/52/1034647052.db2.gz GFGFCQCEVAJOQJ-GDBMZVCRSA-N 0 0 349.434 3.519 10 0 EHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000121396462 1034854954 /nfs/dbraw/zinc/85/49/54/1034854954.db2.gz JFMVXPABOMFXQC-ZERCDLRSSA-N 0 0 329.440 3.515 10 0 EHAERN Cc1oc2ccccc2c1C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000185877267 1035555007 /nfs/dbraw/zinc/55/50/07/1035555007.db2.gz FHQRZTRBWZXUKF-OAHLLOKOSA-N 0 0 337.423 3.570 10 0 EHAERN Cc1ccc(/C=C/CC(=O)N2CCCN(c3ccccn3)CC2)cc1 ZINC000186494191 1035643611 /nfs/dbraw/zinc/64/36/11/1035643611.db2.gz GJNLTDZNABHJNO-GQCTYLIASA-N 0 0 335.451 3.532 10 0 EHAERN COc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1OC ZINC000186525832 1035655219 /nfs/dbraw/zinc/65/52/19/1035655219.db2.gz MVGXMUSXCDAOBH-GFCCVEGCSA-N 0 0 341.411 3.854 10 0 EHAERN COc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1F ZINC000186556747 1035657554 /nfs/dbraw/zinc/65/75/54/1035657554.db2.gz SATRMVGWFGXWSI-LLVKDONJSA-N 0 0 329.375 3.985 10 0 EHAERN CN1Cc2cc(NC(=O)NCCCC3CCCC3)ccc2NC1=O ZINC000186574187 1035660458 /nfs/dbraw/zinc/66/04/58/1035660458.db2.gz UQTHZGNXRDIBLZ-UHFFFAOYSA-N 0 0 330.432 3.756 10 0 EHAERN O=C(c1c[nH]nc1-c1ccsc1)N1CCC[C@H](c2nccs2)C1 ZINC000186560506 1035660873 /nfs/dbraw/zinc/66/08/73/1035660873.db2.gz LDNFVVDREWFHBZ-NSHDSACASA-N 0 0 344.465 3.615 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186638498 1035676274 /nfs/dbraw/zinc/67/62/74/1035676274.db2.gz VLDHMEMISWMOEC-IGCXYCKISA-N 0 0 342.443 3.849 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3ccc(OC(C)C)cc3)CCO2)o1 ZINC000187218915 1035790813 /nfs/dbraw/zinc/79/08/13/1035790813.db2.gz MZNUZWARZROLGJ-LJQANCHMSA-N 0 0 343.423 3.518 10 0 EHAERN Cc1nn(C)cc1N[C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000187784681 1035859439 /nfs/dbraw/zinc/85/94/39/1035859439.db2.gz YEVNCFQKZMNSAP-INMHGKMJSA-N 0 0 348.491 3.709 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)/C=C/c2ccccc2)cs1 ZINC000188001660 1035883948 /nfs/dbraw/zinc/88/39/48/1035883948.db2.gz CVMRUQDSNKNQHN-SOGBHIHOSA-N 0 0 334.466 3.589 10 0 EHAERN Cc1ccc([C@@H]2COCCN2C(=O)Cc2ccc(OC(C)C)cc2)o1 ZINC000188071191 1035889386 /nfs/dbraw/zinc/88/93/86/1035889386.db2.gz NJCIPCXOQIJMEN-SFHVURJKSA-N 0 0 343.423 3.518 10 0 EHAERN CCOc1ccccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188362325 1035914434 /nfs/dbraw/zinc/91/44/34/1035914434.db2.gz MRIXYDUVVSKXLH-UHFFFAOYSA-N 0 0 346.456 3.650 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000188386816 1035918858 /nfs/dbraw/zinc/91/88/58/1035918858.db2.gz REYIXDWFSUSGAK-OALUTQOASA-N 0 0 341.455 3.513 10 0 EHAERN Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(Cl)n1 ZINC000188207679 1035921884 /nfs/dbraw/zinc/92/18/84/1035921884.db2.gz VKQCZCXCGMDUAQ-UHFFFAOYSA-N 0 0 348.855 3.521 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(C2SCCCS2)cc1 ZINC000188465213 1035939243 /nfs/dbraw/zinc/93/92/43/1035939243.db2.gz BYEGHFJZQKRINY-BZUAXINKSA-N 0 0 349.521 3.853 10 0 EHAERN COc1ccccc1/C=C/CN1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000188449324 1035940021 /nfs/dbraw/zinc/94/00/21/1035940021.db2.gz FRWKINYBGLCEQF-HEWZJLJBSA-N 0 0 326.444 3.500 10 0 EHAERN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188568409 1035950615 /nfs/dbraw/zinc/95/06/15/1035950615.db2.gz WOPSIHNJRGFGHH-SGTLLEGYSA-N 0 0 338.382 3.544 10 0 EHAERN C[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)[C@H]1c1cccc(F)c1 ZINC000188607232 1035963042 /nfs/dbraw/zinc/96/30/42/1035963042.db2.gz MDHWJKGIMMMVOK-HXPMCKFVSA-N 0 0 338.382 3.544 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)o1 ZINC000188664166 1035970337 /nfs/dbraw/zinc/97/03/37/1035970337.db2.gz YYAKFYYBVHBXPY-XLMAVXFVSA-N 0 0 332.444 3.782 10 0 EHAERN Cc1cc(NC(=O)[C@H](C)SC[C@H]2CCC3(CCCCC3)O2)on1 ZINC000188768300 1035980453 /nfs/dbraw/zinc/98/04/53/1035980453.db2.gz MDWIBIJGCRJAJG-UONOGXRCSA-N 0 0 338.473 3.925 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cnc(C(C)(C)C)nc2)cs1 ZINC000188762596 1035981438 /nfs/dbraw/zinc/98/14/38/1035981438.db2.gz YWLRNPGMDMNOJS-AWEZNQCLSA-N 0 0 345.472 3.908 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]2C ZINC000188755587 1035981469 /nfs/dbraw/zinc/98/14/69/1035981469.db2.gz VUBPOIZELSZBNA-ILXRZTDVSA-N 0 0 332.492 3.767 10 0 EHAERN COc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)c(C)c1 ZINC000188845546 1035990635 /nfs/dbraw/zinc/99/06/35/1035990635.db2.gz KSQXEMQWMLPHLE-UHFFFAOYSA-N 0 0 346.456 3.569 10 0 EHAERN Fc1ccccc1-c1noc(CN2CCC[C@@H](c3nccs3)C2)n1 ZINC000188988050 1036001430 /nfs/dbraw/zinc/00/14/30/1036001430.db2.gz HSMRYXOPKVPLJM-GFCCVEGCSA-N 0 0 344.415 3.712 10 0 EHAERN O=C(Nc1ccsc1Cl)N1CCCN(c2ccccn2)CC1 ZINC000189433288 1036077285 /nfs/dbraw/zinc/07/72/85/1036077285.db2.gz SNKWCYYJUZCLAY-UHFFFAOYSA-N 0 0 336.848 3.541 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)N2CC3(CCOCC3)c3ccccc32)CCO1 ZINC000189832898 1036152834 /nfs/dbraw/zinc/15/28/34/1036152834.db2.gz MWRAGKYBPWANPZ-IAGOWNOFSA-N 0 0 343.467 3.677 10 0 EHAERN Cc1csc([C@@H]2COCCN2C(=O)NC2CCCCCCC2)n1 ZINC000189957653 1036167536 /nfs/dbraw/zinc/16/75/36/1036167536.db2.gz UWSWWVHJZOPOHA-HNNXBMFYSA-N 0 0 337.489 3.647 10 0 EHAERN C[C@@H](NC(=O)CC(C)(C)C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190367995 1036229340 /nfs/dbraw/zinc/22/93/40/1036229340.db2.gz RFWIRDYRADSSFS-DYEKYZERSA-N 0 0 337.464 3.602 10 0 EHAERN CCCOc1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190373323 1036232426 /nfs/dbraw/zinc/23/24/26/1036232426.db2.gz LSFAHABNNWWUFB-UHFFFAOYSA-N 0 0 345.468 3.649 10 0 EHAERN O=C(NCCc1cccs1)N1CC2(CCOCC2)c2ccccc21 ZINC000190490999 1036246794 /nfs/dbraw/zinc/24/67/94/1036246794.db2.gz VUPYXEFHHKMZCP-UHFFFAOYSA-N 0 0 342.464 3.569 10 0 EHAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H]3CCc4cc(C)ccc43)C2)c1 ZINC000332833588 1036254270 /nfs/dbraw/zinc/25/42/70/1036254270.db2.gz WCOAQENEGJWNDL-PKOBYXMFSA-N 0 0 338.455 3.534 10 0 EHAERN CC[C@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1ccncc1 ZINC000190836640 1036282230 /nfs/dbraw/zinc/28/22/30/1036282230.db2.gz LVKBQVYFZOTFIW-IRXDYDNUSA-N 0 0 325.412 3.664 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2cnn(C(C)C)c2C)c2ccccc2)[nH]1 ZINC000191258791 1036355612 /nfs/dbraw/zinc/35/56/12/1036355612.db2.gz IZVBDVJMHOEVHM-ACJLOTCBSA-N 0 0 338.459 3.639 10 0 EHAERN O=C(/C=C\c1cccs1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000102675736 1036427089 /nfs/dbraw/zinc/42/70/89/1036427089.db2.gz SJIKCOCQCCOYNV-XQRVVYSFSA-N 0 0 326.396 3.967 10 0 EHAERN CO[C@@H](C)c1nc(CN2CC3(CCOCC3)c3ccccc32)cs1 ZINC000192278654 1036491317 /nfs/dbraw/zinc/49/13/17/1036491317.db2.gz MMYKIWJBDHYOMM-AWEZNQCLSA-N 0 0 344.480 3.919 10 0 EHAERN O=C(NC1(c2nccs2)CCCC1)[C@@H]1CCCc2cccnc21 ZINC000192583419 1036531953 /nfs/dbraw/zinc/53/19/53/1036531953.db2.gz SWRROGGAQCATGO-CQSZACIVSA-N 0 0 327.453 3.544 10 0 EHAERN Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cnn1C1CCCC1 ZINC000192699711 1036540088 /nfs/dbraw/zinc/54/00/88/1036540088.db2.gz CCAQNLLBUNJBOO-KPZWWZAWSA-N 0 0 325.412 3.810 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n1 ZINC000102646153 1036739277 /nfs/dbraw/zinc/73/92/77/1036739277.db2.gz LPWHNAJKCWMMTD-UHFFFAOYSA-N 0 0 325.437 3.953 10 0 EHAERN CN(C(N)=O)c1ccc(OCc2csc(Br)c2)cc1 ZINC000102921792 1036791448 /nfs/dbraw/zinc/79/14/48/1036791448.db2.gz QRBFZLSJLPXUGE-UHFFFAOYSA-N 0 0 341.230 3.605 10 0 EHAERN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cnc(C2CC2)nc1 ZINC000103089340 1036815100 /nfs/dbraw/zinc/81/51/00/1036815100.db2.gz JPWRNGNNZTXNQF-UHFFFAOYSA-N 0 0 349.434 3.834 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccn(-c4ccccc4)n3)c21 ZINC000103128552 1036846007 /nfs/dbraw/zinc/84/60/07/1036846007.db2.gz LZNMFZOUKZJNCF-UHFFFAOYSA-N 0 0 344.418 3.635 10 0 EHAERN c1csc(-c2nnc(SCc3nc(-c4ccoc4)no3)o2)c1 ZINC000105572218 1037212283 /nfs/dbraw/zinc/21/22/83/1037212283.db2.gz CFKNDDIHFVCVIG-UHFFFAOYSA-N 0 0 332.366 3.733 10 0 EHAERN CC[C@@H](CC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1)C(C)C ZINC000104325882 1037596029 /nfs/dbraw/zinc/59/60/29/1037596029.db2.gz ZGHHVYLJOFWENN-AWEZNQCLSA-N 0 0 327.428 3.756 10 0 EHAERN Cn1ccnc1CC1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000106163808 1037608210 /nfs/dbraw/zinc/60/82/10/1037608210.db2.gz YHOSZDXBLIKNOU-UHFFFAOYSA-N 0 0 332.517 3.629 10 0 EHAERN Cc1cccc(CCNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114827337 1037809291 /nfs/dbraw/zinc/80/92/91/1037809291.db2.gz JPKRBXVTDPAKRE-INIZCTEOSA-N 0 0 329.469 3.583 10 0 EHAERN CCOc1ccc(OC)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117652092 1037856920 /nfs/dbraw/zinc/85/69/20/1037856920.db2.gz CTCHCMHEEGRWBF-SGTLLEGYSA-N 0 0 327.380 3.597 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@]3(CC=CCC3)C1)CCC2 ZINC000332716577 1037949856 /nfs/dbraw/zinc/94/98/56/1037949856.db2.gz RUJYPHPBLIOORC-YLJYHZDGSA-N 0 0 342.487 3.601 10 0 EHAERN Clc1ccc(CN2CCCC[C@H]2c2nc[nH]n2)c2ncccc12 ZINC000121731726 1037972887 /nfs/dbraw/zinc/97/28/87/1037972887.db2.gz VZVVPBPQMVSHGJ-HNNXBMFYSA-N 0 0 327.819 3.734 10 0 EHAERN CC[C@@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)c1nccs1 ZINC000123502417 1038027541 /nfs/dbraw/zinc/02/75/41/1038027541.db2.gz ARUWXRAEDUBUFJ-UKRRQHHQSA-N 0 0 344.484 3.517 10 0 EHAERN CCn1cc(C2CCN(C(=O)c3cc(C)n(C4CC4)c3C)CC2)cn1 ZINC000123740753 1038065183 /nfs/dbraw/zinc/06/51/83/1038065183.db2.gz QCDCYEJDROHFJH-UHFFFAOYSA-N 0 0 340.471 3.676 10 0 EHAERN CC1(C)CCC(=CC(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000124609077 1038212471 /nfs/dbraw/zinc/21/24/71/1038212471.db2.gz USZIDAOCWZVWSH-SJLPKXTDSA-N 0 0 344.499 3.515 10 0 EHAERN CO[C@H]1CCC[C@H]1OC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000125121008 1038281696 /nfs/dbraw/zinc/28/16/96/1038281696.db2.gz MVQAJZLJGPOKFW-JKSUJKDBSA-N 0 0 346.814 3.830 10 0 EHAERN C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000408414767 1039737831 /nfs/dbraw/zinc/73/78/31/1039737831.db2.gz HDTOBVKHDXEECW-HZPDHXFCSA-N 0 0 343.471 3.965 10 0 EHAERN C[C@@]1(NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000332836514 1040158008 /nfs/dbraw/zinc/15/80/08/1040158008.db2.gz LBYADFYHSHIZJW-HGTKMLMNSA-N 0 0 348.409 3.612 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCSc3ccccc32)cn1 ZINC000171462210 1040488779 /nfs/dbraw/zinc/48/87/79/1040488779.db2.gz MKEMJLDCQPYMTP-HOTGVXAUSA-N 0 0 342.468 3.504 10 0 EHAERN Cc1ccccc1[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000332977825 1040666940 /nfs/dbraw/zinc/66/69/40/1040666940.db2.gz NHWZMRXOTUAWEU-DSKINZAPSA-N 0 0 342.483 3.783 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000128537441 1041520350 /nfs/dbraw/zinc/52/03/50/1041520350.db2.gz PXIFQIQHSZDGDJ-DZGCQCFKSA-N 0 0 339.439 3.519 10 0 EHAERN Cc1csc([C@@H]2CN(c3ncnc4sc(C)c(C)c43)CCO2)n1 ZINC000408157746 1041900482 /nfs/dbraw/zinc/90/04/82/1041900482.db2.gz KIUAHMFWJQVYHS-LBPRGKRZSA-N 0 0 346.481 3.651 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000162333687 1042722674 /nfs/dbraw/zinc/72/26/74/1042722674.db2.gz YFJBXJBLWLLFSZ-WEVVVXLNSA-N 0 0 337.467 3.695 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000408224734 1042758310 /nfs/dbraw/zinc/75/83/10/1042758310.db2.gz XGTAOBBDJAZCHI-TXPKVOOTSA-N 0 0 348.512 3.718 10 0 EHAERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H]2[C@H](C)C2(F)F)no1 ZINC000408232632 1042807198 /nfs/dbraw/zinc/80/71/98/1042807198.db2.gz VDNRWCAEIFBPIJ-SDDRHHMPSA-N 0 0 327.375 3.538 10 0 EHAERN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@H]2CCC[C@H]21 ZINC000330321837 1042899906 /nfs/dbraw/zinc/89/99/06/1042899906.db2.gz SGCSEKDNKKVVKX-SWLSCSKDSA-N 0 0 345.830 3.724 10 0 EHAERN C[C@@H](CC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)C(C)(C)C ZINC000408276372 1042931882 /nfs/dbraw/zinc/93/18/82/1042931882.db2.gz HVZFFXHQYNMCRM-GJZGRUSLSA-N 0 0 332.492 3.740 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)nn3C)C2)sc1C ZINC000408286028 1042964088 /nfs/dbraw/zinc/96/40/88/1042964088.db2.gz IXPUPORXQDKGNQ-AWEZNQCLSA-N 0 0 346.500 3.637 10 0 EHAERN C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)[C@@H]1C ZINC000247470539 1043046047 /nfs/dbraw/zinc/04/60/47/1043046047.db2.gz RUWDDUVQDHFLBG-ZACQAIPSSA-N 0 0 343.471 3.578 10 0 EHAERN CC(C)(C)c1cnc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000408349268 1043537204 /nfs/dbraw/zinc/53/72/04/1043537204.db2.gz OCIASBFYKDGMEG-YVEFUNNKSA-N 0 0 337.489 3.600 10 0 EHAERN CCc1cnc(CNC(=O)N2CC=C(c3ccccc3F)CC2)s1 ZINC000163219521 1043916864 /nfs/dbraw/zinc/91/68/64/1043916864.db2.gz USXISPXGVZWXBJ-UHFFFAOYSA-N 0 0 345.443 3.844 10 0 EHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)C[C@H]2CCCC(C)(C)C2)o1 ZINC000408385875 1044490183 /nfs/dbraw/zinc/49/01/83/1044490183.db2.gz MMJTVMQYWNGEKB-HUUCEWRRSA-N 0 0 349.475 3.699 10 0 EHAERN CN(C[C@@H]1CCCO1)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000102905494 1127780302 /nfs/dbraw/zinc/78/03/02/1127780302.db2.gz KWEVQXBUQIVPGM-IBGZPJMESA-N 0 0 340.423 3.799 10 0 EHAERN CC(C)[C@@H](CC(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000104911141 1127903213 /nfs/dbraw/zinc/90/32/13/1127903213.db2.gz OVWOYZOZJRKRFM-VQTJNVASSA-N 0 0 325.452 3.536 10 0 EHAERN Cc1csc(CCCNC(=O)[C@@]2(C)CCCc3ccccc32)n1 ZINC000102303326 1120198703 /nfs/dbraw/zinc/19/87/03/1120198703.db2.gz ZDDSNAMJORFGRU-IBGZPJMESA-N 0 0 328.481 3.795 10 0 EHAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H](C)[C@H](C)C3CCCCC3)C2)n1 ZINC000370103476 1120899596 /nfs/dbraw/zinc/89/95/96/1120899596.db2.gz XKGKYWUSPMYSFX-GRDNDAEWSA-N 0 0 348.491 3.872 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@@H](C)[C@H]2CCCO2)cs1 ZINC000189202520 1132443278 /nfs/dbraw/zinc/44/32/78/1132443278.db2.gz GJDPKNFFKOOSKJ-SWLSCSKDSA-N 0 0 331.441 3.808 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000189461498 1132446235 /nfs/dbraw/zinc/44/62/35/1132446235.db2.gz KACFVVWGQTXPJD-RYUDHWBXSA-N 0 0 331.441 3.760 10 0 EHAERN C[C@H](CC(=O)Nc1cc(Cl)ccc1C(N)=O)c1ccccc1F ZINC000102603936 1135601873 /nfs/dbraw/zinc/60/18/73/1135601873.db2.gz PLFLDODQVKNXJL-SNVBAGLBSA-N 0 0 334.778 3.710 10 0 EHAERN COc1ccc([C@H](CC(=O)OC2CCCCCCC2)NC(C)=O)cc1 ZINC000105438775 1135946343 /nfs/dbraw/zinc/94/63/43/1135946343.db2.gz IKSGWUHFEWRTGJ-IBGZPJMESA-N 0 0 347.455 3.919 10 0 EHAERN CCCCOC(=O)c1ccc(NCc2nc(-c3ccoc3)no2)cc1 ZINC000105606202 1135957434 /nfs/dbraw/zinc/95/74/34/1135957434.db2.gz ITBQHXYOROJSJC-UHFFFAOYSA-N 0 0 341.367 3.899 10 0 EHAERN CC[C@H](COC(=O)c1cccc(C[S@](C)=O)c1)c1ccccc1 ZINC000105775334 1135976230 /nfs/dbraw/zinc/97/62/30/1135976230.db2.gz GQAFCQJKJWGAOF-WAIKUNEKSA-N 0 0 330.449 3.916 10 0 EHAERN O=C(CCOCC(F)(F)F)OCCc1ccccc1C(F)(F)F ZINC000105776101 1135976314 /nfs/dbraw/zinc/97/63/14/1135976314.db2.gz YIFSGIRTOMZVDU-UHFFFAOYSA-N 0 0 344.251 3.760 10 0 EHAERN CC[C@@H](COC(=O)c1cccc(C[S@](C)=O)c1)c1ccccc1 ZINC000105775332 1135976412 /nfs/dbraw/zinc/97/64/12/1135976412.db2.gz GQAFCQJKJWGAOF-QMHKHESXSA-N 0 0 330.449 3.916 10 0 EHAERN COc1ccc(C(=O)CCCC(=O)O[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000103669314 1137469496 /nfs/dbraw/zinc/46/94/96/1137469496.db2.gz GRQVIVPDNAUVBD-IAGOWNOFSA-N 0 0 334.412 3.549 10 0 EHAERN Cc1ccccc1C(=O)NC1CCN(C(=O)C2CCCCCC2)CC1 ZINC000101814676 1137871606 /nfs/dbraw/zinc/87/16/06/1137871606.db2.gz DXXFPKTVXKCVFZ-UHFFFAOYSA-N 0 0 342.483 3.686 10 0 EHAERN CCCCN(CC)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567684 1137873389 /nfs/dbraw/zinc/87/33/89/1137873389.db2.gz ZPXIAOYCYNDTFZ-UHFFFAOYSA-N 0 0 333.407 3.855 10 0 EHAERN CC(C)CN(C(=O)NCCc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000102567255 1137873395 /nfs/dbraw/zinc/87/33/95/1137873395.db2.gz OXOITROBVAWLOE-UHFFFAOYSA-N 0 0 345.418 3.853 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000104807700 1137879429 /nfs/dbraw/zinc/87/94/29/1137879429.db2.gz AUBDCXJGYRMMAI-UHFFFAOYSA-N 0 0 349.475 3.964 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCc1cccc(Cl)c1 ZINC000105071642 1137880161 /nfs/dbraw/zinc/88/01/61/1137880161.db2.gz WMYWMRVPGWLKHJ-UHFFFAOYSA-N 0 0 331.847 3.899 10 0 EHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@H]2CCC[C@H]21 ZINC000333316680 1138276376 /nfs/dbraw/zinc/27/63/76/1138276376.db2.gz KIBYMHNNABMXGJ-ZWNOBZJWSA-N 0 0 333.338 3.852 10 0 EHAERN CC[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333668431 1138317732 /nfs/dbraw/zinc/31/77/32/1138317732.db2.gz XSAVMNZRJGILFU-IKGGRYGDSA-N 0 0 344.455 3.690 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)C1(C)C ZINC000333682760 1138319457 /nfs/dbraw/zinc/31/94/57/1138319457.db2.gz OYSQWGMLWCOFDM-HRLGVUPISA-N 0 0 333.476 3.709 10 0 EHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333917164 1138347523 /nfs/dbraw/zinc/34/75/23/1138347523.db2.gz BYHAVYIUOUUVMC-SVGFKBNWSA-N 0 0 339.435 3.554 10 0 EHAERN C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000334067482 1138367512 /nfs/dbraw/zinc/36/75/12/1138367512.db2.gz DUSORYLVZJRSNT-BVBHFADKSA-N 0 0 344.503 3.692 10 0 EHAERN O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)N[C@@H]1CCCCC[C@H]1O ZINC000334074106 1138368432 /nfs/dbraw/zinc/36/84/32/1138368432.db2.gz JCSCJBZHWWPFSA-BQGCOEIASA-N 0 0 336.863 3.579 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2F)cs1 ZINC000187029063 1140233245 /nfs/dbraw/zinc/23/32/45/1140233245.db2.gz SZOYOPRBFTXIDU-INIZCTEOSA-N 0 0 333.432 3.634 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCOC3)cs1 ZINC000187047885 1140234631 /nfs/dbraw/zinc/23/46/31/1140234631.db2.gz SZUDQDIZIQLZJZ-ZDUSSCGKSA-N 0 0 334.466 3.563 10 0 EHAERN Cc1cc(OCC(=O)OC(C)C)c2ccc(Br)cc2n1 ZINC000053994623 214210140 /nfs/dbraw/zinc/21/01/40/214210140.db2.gz ZHWYQJNGXPWHSU-UHFFFAOYSA-N 0 0 338.201 3.636 10 0 EHAERN FC(F)(F)c1cc(NCc2cncnc2)ccc1Br ZINC000054767362 214254190 /nfs/dbraw/zinc/25/41/90/214254190.db2.gz POYLLERNWNOVGV-UHFFFAOYSA-N 0 0 332.123 3.870 10 0 EHAERN CCC(=O)Nc1cccc(NC(=O)CN(CC)c2ccccc2)c1 ZINC000054654599 214248279 /nfs/dbraw/zinc/24/82/79/214248279.db2.gz CANUUKCJDHWXOU-UHFFFAOYSA-N 0 0 325.412 3.500 10 0 EHAERN CCCC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000054858886 214258850 /nfs/dbraw/zinc/25/88/50/214258850.db2.gz SKWLFQPQTLDSDZ-UHFFFAOYSA-N 0 0 342.361 3.683 10 0 EHAERN O=C1[C@H]2CCCN2[C@H](c2cccnc2)N1c1ccc(Cl)c(Cl)c1 ZINC000049669355 214026778 /nfs/dbraw/zinc/02/67/78/214026778.db2.gz YIFVYSKLNUMDFP-CVEARBPZSA-N 0 0 348.233 3.898 10 0 EHAERN COc1ccccc1C[C@H](O)c1cc(F)cc(Br)c1 ZINC000062141222 214702206 /nfs/dbraw/zinc/70/22/06/214702206.db2.gz YDQVLQXGGNHKFF-AWEZNQCLSA-N 0 0 325.177 3.873 10 0 EHAERN COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCSCC1)CC2 ZINC000004222626 210146719 /nfs/dbraw/zinc/14/67/19/210146719.db2.gz DIWWKDZLRUMTPS-GOEBONIOSA-N 0 0 347.524 3.628 10 0 biogenic EHAERN CCOC(=O)c1cc2c(cc(Br)cc2Br)[nH]1 ZINC000066354478 215035745 /nfs/dbraw/zinc/03/57/45/215035745.db2.gz HMPGIFCHAVWJIT-UHFFFAOYSA-N 0 0 347.006 3.870 10 0 EHAERN COc1ccc2c(CC(=O)Nc3ccc(OC)c(OC)c3)coc2c1 ZINC000003565499 210055500 /nfs/dbraw/zinc/05/55/00/210055500.db2.gz WBFJWLBPJLGGJM-UHFFFAOYSA-N 0 0 341.363 3.640 10 0 EHAERN CCCSc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1 ZINC000003542500 210050860 /nfs/dbraw/zinc/05/08/60/210050860.db2.gz GYGNUQXIMGMUSY-UHFFFAOYSA-N 0 0 336.420 3.536 10 0 EHAERN CC(C)(CO)N(Cc1ccccn1)C(=O)c1cc2ccccc2s1 ZINC000067541045 215159674 /nfs/dbraw/zinc/15/96/74/215159674.db2.gz ZEUNTEWWFCZSER-UHFFFAOYSA-N 0 0 340.448 3.710 10 0 EHAERN Cc1oc(-c2cccc(Cl)c2)nc1CN(C)Cc1cnccn1 ZINC000067885434 215240535 /nfs/dbraw/zinc/24/05/35/215240535.db2.gz RRODSJDMMWJQBW-UHFFFAOYSA-N 0 0 328.803 3.725 10 0 EHAERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)OC ZINC000040950159 213404065 /nfs/dbraw/zinc/40/40/65/213404065.db2.gz JFLLJJBQYSOMAP-OUKQBFOZSA-N 0 0 325.364 3.524 10 0 EHAERN CCCCC(=O)NC(=S)Nc1sc(C)c(C)c1C(=O)OCC ZINC000040898195 213398390 /nfs/dbraw/zinc/39/83/90/213398390.db2.gz WGBUBHDAAFDKGN-UHFFFAOYSA-N 0 0 342.486 3.545 10 0 EHAERN COc1ccc(NC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC000040883959 213397438 /nfs/dbraw/zinc/39/74/38/213397438.db2.gz SRUUBQMOCBYZJD-UHFFFAOYSA-N 0 0 327.380 3.899 10 0 EHAERN CC(=O)c1sc(NC(=O)COc2c(C)ccc(C)c2C)nc1C ZINC000040870972 213395787 /nfs/dbraw/zinc/39/57/87/213395787.db2.gz BLWDGDRQZVWQGR-UHFFFAOYSA-N 0 0 332.425 3.597 10 0 EHAERN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 ZINC000040847562 213392955 /nfs/dbraw/zinc/39/29/55/213392955.db2.gz SGOVLZDBTCLNQY-CMDGGOBGSA-N 0 0 333.727 3.815 10 0 EHAERN CSc1ncc(Cl)c(C(=O)OC23CC4CC(CC(C4)C2)C3)n1 ZINC000040803707 213389009 /nfs/dbraw/zinc/38/90/09/213389009.db2.gz UIJLLBIUVULYQF-UHFFFAOYSA-N 0 0 338.860 3.978 10 0 EHAERN Cc1ccc2c(cccc2Nc2ncnc(Oc3cccnc3)c2N)n1 ZINC000040798355 213388318 /nfs/dbraw/zinc/38/83/18/213388318.db2.gz VMODPGGFIJRHQE-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN CONC(=O)c1ccc(N2CCc3cc4ccc(C)cc4nc32)cc1 ZINC000040803358 213387899 /nfs/dbraw/zinc/38/78/99/213387899.db2.gz GTQLSNYUJKRQCS-UHFFFAOYSA-N 0 0 333.391 3.529 10 0 EHAERN Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1Oc1cccnc1 ZINC000040755815 213383775 /nfs/dbraw/zinc/38/37/75/213383775.db2.gz SDDFYCGXTQOXHG-UHFFFAOYSA-N 0 0 337.427 3.627 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Oc3cccc4ccc(C)nc43)c2N)n1 ZINC000040752421 213381939 /nfs/dbraw/zinc/38/19/39/213381939.db2.gz JMJFPRPCTSNKPF-UHFFFAOYSA-N 0 0 346.394 3.510 10 0 EHAERN Cc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)nc1 ZINC000040735857 213379578 /nfs/dbraw/zinc/37/95/78/213379578.db2.gz AWXIDBOWLJJRCT-UHFFFAOYSA-N 0 0 328.464 3.624 10 0 EHAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2cccnc2)c1N ZINC000040701551 213371327 /nfs/dbraw/zinc/37/13/27/213371327.db2.gz NAZCIIXUQIKSNO-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1ccnc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c1 ZINC000040701436 213372172 /nfs/dbraw/zinc/37/21/72/213372172.db2.gz QCFDIYZHOYWZEZ-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN COc1ccc(-c2nc3ccccc3n2CC(=O)NC2CCCC2)cc1 ZINC000040307119 213290212 /nfs/dbraw/zinc/29/02/12/213290212.db2.gz VKMKLGNHPXRQKQ-UHFFFAOYSA-N 0 0 349.434 3.771 10 0 EHAERN OCCCc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000040225283 213282913 /nfs/dbraw/zinc/28/29/13/213282913.db2.gz WILYCLGWAGSEFX-UHFFFAOYSA-N 0 0 345.240 3.772 10 0 EHAERN CCCC(=O)NCCCCCc1nc2ccccc2n1CCOCC ZINC000040211352 213281396 /nfs/dbraw/zinc/28/13/96/213281396.db2.gz MXFBCVUGVUVODA-UHFFFAOYSA-N 0 0 345.487 3.702 10 0 EHAERN CCOC(=O)c1cc2cc(I)ccc2s1 ZINC000038854246 213228633 /nfs/dbraw/zinc/22/86/33/213228633.db2.gz BZSXRTIPOXRLPU-UHFFFAOYSA-N 0 0 332.162 3.683 10 0 EHAERN Nc1cc(F)c(Oc2cccc(I)c2)c(F)c1 ZINC000038040369 213197067 /nfs/dbraw/zinc/19/70/67/213197067.db2.gz IVILZKBSMALESL-UHFFFAOYSA-N 0 0 347.102 3.944 10 0 EHAERN Oc1ccc2c(c1)OC[C@H]2NCc1cc(F)ccc1Br ZINC000038039001 213195948 /nfs/dbraw/zinc/19/59/48/213195948.db2.gz KYALCRSXZHAFKO-CQSZACIVSA-N 0 0 338.176 3.517 10 0 EHAERN NC(=O)[C@H](Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000037944262 213175321 /nfs/dbraw/zinc/17/53/21/213175321.db2.gz HJPLOEAKISWEKK-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN CCOC(=O)[C@H](CCSC)Nc1cccc(Br)c1 ZINC000037961021 213176124 /nfs/dbraw/zinc/17/61/24/213176124.db2.gz BIZZSFKRARKDIW-LBPRGKRZSA-N 0 0 332.263 3.546 10 0 EHAERN FC(F)Oc1cccc(-c2cn3nc(Br)sc3n2)c1 ZINC000037353247 213140740 /nfs/dbraw/zinc/14/07/40/213140740.db2.gz WTOOUWOIBKTWDC-UHFFFAOYSA-N 0 0 346.156 3.822 10 0 EHAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Br)cn2C2CC2)C1 ZINC000036859960 213123990 /nfs/dbraw/zinc/12/39/90/213123990.db2.gz UNKXDMJRGUNFIO-GHMZBOCLSA-N 0 0 325.250 3.704 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000036859866 213123594 /nfs/dbraw/zinc/12/35/94/213123594.db2.gz GWYLBEVDONCJEN-YPMHNXCESA-N 0 0 327.266 3.969 10 0 EHAERN Nc1cc(NC(=O)c2ccc(Br)s2)c(F)cc1F ZINC000036738851 213114572 /nfs/dbraw/zinc/11/45/72/213114572.db2.gz MTLWAKXTIVDHSO-UHFFFAOYSA-N 0 0 333.157 3.623 10 0 EHAERN Cc1c(C(=O)Oc2cccc(C)c2)nnn1-c1ccc(Cl)cc1 ZINC000036639036 213106247 /nfs/dbraw/zinc/10/62/47/213106247.db2.gz LWUYQAZNDCQZOB-UHFFFAOYSA-N 0 0 327.771 3.757 10 0 EHAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000071257219 215747791 /nfs/dbraw/zinc/74/77/91/215747791.db2.gz GSOWHJDTOKJWCJ-MRXNPFEDSA-N 0 0 348.443 3.560 10 0 EHAERN c1nc2ncnc(-c3ccccc3)c2n1[C@@H]1COc2ccccc2CO1 ZINC000035276960 213017244 /nfs/dbraw/zinc/01/72/44/213017244.db2.gz KUBZTGBNMLGQIB-KRWDZBQOSA-N 0 0 344.374 3.601 10 0 EHAERN CCn1nc(C(=O)NCc2cccnc2)cc1-c1ccc(Cl)s1 ZINC000034901108 212995152 /nfs/dbraw/zinc/99/51/52/212995152.db2.gz SIWRWMVZXXZURB-UHFFFAOYSA-N 0 0 346.843 3.610 10 0 EHAERN COc1ccc(/C=C\C(=O)NC(=S)Nc2cccc(C)c2C)cc1 ZINC000033593404 212955530 /nfs/dbraw/zinc/95/55/30/212955530.db2.gz GGNRREMJPYPKEC-XFXZXTDPSA-N 0 0 340.448 3.838 10 0 EHAERN Cc1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)c(C)c1 ZINC000032530482 212808872 /nfs/dbraw/zinc/80/88/72/212808872.db2.gz CKXMJAXXDZHIOS-UHFFFAOYSA-N 0 0 334.419 3.874 10 0 EHAERN COc1ccc(N)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000072237624 216076030 /nfs/dbraw/zinc/07/60/30/216076030.db2.gz IZFVVGFTIQCFBE-UHFFFAOYSA-N 0 0 334.301 3.748 10 0 EHAERN Cc1cc2c(nc(-c3cccnc3)nc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000072260799 216086000 /nfs/dbraw/zinc/08/60/00/216086000.db2.gz APAFPSDITZGWPU-VXGBXAGGSA-N 0 0 340.452 3.675 10 0 EHAERN COc1ccccc1Nc1nc2nccc(-c3ccccc3)c2c(=O)[nH]1 ZINC000072440039 216234248 /nfs/dbraw/zinc/23/42/48/216234248.db2.gz DTIJLDAMKDANCM-UHFFFAOYSA-N 0 0 344.374 3.737 10 0 EHAERN CC(C)C[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2ncccc12 ZINC000022661323 212314288 /nfs/dbraw/zinc/31/42/88/212314288.db2.gz OYPNUXVHLXDHDF-CYBMUJFWSA-N 0 0 340.402 3.724 10 0 EHAERN O=C1C=C(Nc2cccc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000021945748 212265507 /nfs/dbraw/zinc/26/55/07/212265507.db2.gz SKVUXOGJQWTCNM-UHFFFAOYSA-N 0 0 328.371 3.705 10 0 EHAERN CC[C@H](C)NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021944548 212264720 /nfs/dbraw/zinc/26/47/20/212264720.db2.gz CUKFPXZJZQEMLE-HNNXBMFYSA-N 0 0 338.455 3.702 10 0 EHAERN Cc1ccccc1-c1nnc(-c2ccc(NC(=O)[C@H]3CCCO3)cc2)o1 ZINC000021145050 212211692 /nfs/dbraw/zinc/21/16/92/212211692.db2.gz ZUIKQKIZGVJJTA-QGZVFWFLSA-N 0 0 349.390 3.830 10 0 EHAERN C[C@@H]1CCc2c(CCNC(=O)NCCc3ccccc3)csc2C1 ZINC000021088485 212204658 /nfs/dbraw/zinc/20/46/58/212204658.db2.gz MGAWLHKYYBYLKO-OAHLLOKOSA-N 0 0 342.508 3.957 10 0 EHAERN CCOC(=O)c1sc2ncnc(Nc3cc(C)ccc3O)c2c1C ZINC000019959971 212090703 /nfs/dbraw/zinc/09/07/03/212090703.db2.gz ROCXHTKAGGCGDX-UHFFFAOYSA-N 0 0 343.408 3.934 10 0 EHAERN O=C(CC1=CCCCC1)NC[C@@H]1CC(Cc2cccc(F)c2)=NO1 ZINC000012281629 211332633 /nfs/dbraw/zinc/33/26/33/211332633.db2.gz HYBNSPGAEYOKSX-SFHVURJKSA-N 0 0 330.403 3.520 10 0 EHAERN Cc1cc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)o2)c(C)o1 ZINC000011878216 211262485 /nfs/dbraw/zinc/26/24/85/211262485.db2.gz YHGUJJNEDUSDQD-ZDUSSCGKSA-N 0 0 339.395 3.756 10 0 EHAERN CCOc1ccccc1C(=O)n1c2cc(C(C)(C)C)ccc2oc1=O ZINC000009528535 211098495 /nfs/dbraw/zinc/09/84/95/211098495.db2.gz GOYJTYDKUAHNCO-UHFFFAOYSA-N 0 0 339.391 3.979 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](COc2nsc3ccccc32)C1 ZINC000095084128 218276089 /nfs/dbraw/zinc/27/60/89/218276089.db2.gz CRMNILNKTAHLDS-LBPRGKRZSA-N 0 0 334.441 3.932 10 0 EHAERN Cc1cc(C)nc(OCCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095089867 218279419 /nfs/dbraw/zinc/27/94/19/218279419.db2.gz WVPOCADVBMMPKO-INIZCTEOSA-N 0 0 349.475 3.900 10 0 EHAERN C[C@]1(c2ccccc2)NCC(=O)Nc2ccc(-c3ccc(O)cc3)cc21 ZINC000095092877 218280243 /nfs/dbraw/zinc/28/02/43/218280243.db2.gz HXJNZSXZFBNFLG-JOCHJYFZSA-N 0 0 344.414 3.864 10 0 EHAERN Cn1c(Br)c(Cn2nnc3ccccc32)c2ccccc21 ZINC000005331188 210440531 /nfs/dbraw/zinc/44/05/31/210440531.db2.gz WXYNLDOCLWKSPG-UHFFFAOYSA-N 0 0 341.212 3.734 10 0 EHAERN CC(=O)O[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913539 221203275 /nfs/dbraw/zinc/20/32/75/221203275.db2.gz AEFVYXKODUCZPV-ZVYQZPTGSA-N 0 0 346.467 3.675 10 0 EHAERN Cc1cc(C)nc(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000035567981 524596801 /nfs/dbraw/zinc/59/68/01/524596801.db2.gz WMBFGICKYPHQHG-LBPRGKRZSA-N 0 0 335.860 3.716 10 0 EHAERN COc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1OC ZINC000045382609 525307393 /nfs/dbraw/zinc/30/73/93/525307393.db2.gz OYZALKJWSCUART-ZDUSSCGKSA-N 0 0 338.407 3.605 10 0 EHAERN CC[C@H](C)c1nc2sc3c(c2c(N2CCOCC2)n1)CCCC3 ZINC000035892707 536026898 /nfs/dbraw/zinc/02/68/98/536026898.db2.gz CIQKKXBYCRQLEM-LBPRGKRZSA-N 0 0 331.485 3.920 10 0 EHAERN CC(C)(C)c1cc(C(=O)N2CCCCC2)n(Cc2ccc(F)cc2)n1 ZINC000001035944 563369619 /nfs/dbraw/zinc/36/96/19/563369619.db2.gz WDYBRBAFFUBRNN-UHFFFAOYSA-N 0 0 343.446 3.994 10 0 EHAERN CC(C)Cn1c2cnccc2nc1[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000075877544 563996586 /nfs/dbraw/zinc/99/65/86/563996586.db2.gz RCRCLUIANLOHIV-QGZVFWFLSA-N 0 0 348.450 3.717 10 0 EHAERN CC(=O)N1CC[C@@H](Nc2nc3ccccc3o2)c2ccc(F)cc2C1 ZINC000241231229 564051906 /nfs/dbraw/zinc/05/19/06/564051906.db2.gz KTEKIXKMDRARQP-MRXNPFEDSA-N 0 0 339.370 3.872 10 0 EHAERN Cc1csc([C@H]2CN(c3ncc(C(F)(F)F)s3)CCO2)n1 ZINC000241435195 564051995 /nfs/dbraw/zinc/05/19/95/564051995.db2.gz NLPJLKHWQQPYIN-MRVPVSSYSA-N 0 0 335.376 3.505 10 0 EHAERN Cc1ccc(C)c(-c2nnc(NC[C@H](O)c3ccccc3)s2)c1 ZINC000000389406 564082595 /nfs/dbraw/zinc/08/25/95/564082595.db2.gz JZXAMUITGZGGCN-INIZCTEOSA-N 0 0 325.437 3.967 10 0 EHAERN CC1CCN(C(=O)CCc2nc3cccnc3n2-c2ccccc2)CC1 ZINC000006737684 564096753 /nfs/dbraw/zinc/09/67/53/564096753.db2.gz HQNRADAVEVXVHJ-UHFFFAOYSA-N 0 0 348.450 3.612 10 0 EHAERN Cc1ccc(NC(=O)[C@H](C)N2Cc3ccccc3C2=O)cc1Cl ZINC000006876000 564100286 /nfs/dbraw/zinc/10/02/86/564100286.db2.gz KVGZBBDCQQPFRZ-LBPRGKRZSA-N 0 0 328.799 3.631 10 0 EHAERN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cnc4cccnc43)cc2)[C@@H]1C ZINC000006900652 564100985 /nfs/dbraw/zinc/10/09/85/564100985.db2.gz XVJMVGZRYKVTQV-IIDMSEBBSA-N 0 0 348.450 3.975 10 0 EHAERN Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CCC[C@H](C)C1 ZINC000065230295 564103137 /nfs/dbraw/zinc/10/31/37/564103137.db2.gz NTBBFCKXUAMAOI-ZDUSSCGKSA-N 0 0 346.496 3.900 10 0 EHAERN COC(=O)[C@@H](C)c1cc(Cl)nc2ccc(Br)cc21 ZINC000675069018 564112534 /nfs/dbraw/zinc/11/25/34/564112534.db2.gz VEPBTHMLCVCCEX-ZETCQYMHSA-N 0 0 328.593 3.927 10 0 EHAERN COc1ccc(-c2cn(-c3ccc(Br)cc3)c(=O)[nH]2)cc1 ZINC000002466194 564132553 /nfs/dbraw/zinc/13/25/53/564132553.db2.gz ANNJFAUCAZYFON-UHFFFAOYSA-N 0 0 345.196 3.604 10 0 EHAERN C[C@@](O)(C[C@](C)(O)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000077273462 564134169 /nfs/dbraw/zinc/13/41/69/564134169.db2.gz BUIQPLVQIGSHGP-CALCHBBNSA-N 0 0 328.305 3.748 10 0 in-vitro EHAERN Cc1cc(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)o1 ZINC000328639642 564137142 /nfs/dbraw/zinc/13/71/42/564137142.db2.gz WXOZWEBFYIUNFH-INIZCTEOSA-N 0 0 333.432 3.660 10 0 EHAERN C[C@@H](COCc1ccccc1)CC(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000685962023 564177255 /nfs/dbraw/zinc/17/72/55/564177255.db2.gz RBJDZEGWLJMZDQ-HUUCEWRRSA-N 0 0 335.444 3.712 10 0 EHAERN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405605058 564177603 /nfs/dbraw/zinc/17/76/03/564177603.db2.gz IOZONGSMKIHBMQ-MRXNPFEDSA-N 0 0 335.444 3.856 10 0 EHAERN C[C@@H](C(=O)[O-])[N@H+](Cc1cccc(Cl)c1Br)C1CC1 ZINC000719434012 955169181 /nfs/dbraw/zinc/16/91/81/955169181.db2.gz NGDINIURXMBIEP-QMMMGPOBSA-N 0 0 332.625 3.540 10 0 EHAERN Cc1nc(CC(=O)N[C@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000182123045 1032067615 /nfs/dbraw/zinc/06/76/15/1032067615.db2.gz VYRBVOWVXLYVRY-AWEZNQCLSA-N 0 0 336.844 3.678 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cc(C2CCCC2)nn1C ZINC000182325346 1032090547 /nfs/dbraw/zinc/09/05/47/1032090547.db2.gz SEBWRGOEJNNYKB-KPZWWZAWSA-N 0 0 325.412 3.581 10 0 EHAERN O=C([O-])c1cc(C[NH2+]Cc2csc(Br)c2)cs1 ZINC000701833359 977048213 /nfs/dbraw/zinc/04/82/13/977048213.db2.gz FFDAHGXBXPDVSZ-UHFFFAOYSA-N 0 0 332.244 3.560 10 0 EHAERN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2Br)[C@@H](C(=O)[O-])C1 ZINC000719421833 978003737 /nfs/dbraw/zinc/00/37/37/978003737.db2.gz MLHPOMMJDVHJTR-JOYOIKCWSA-N 0 0 346.652 3.788 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000246232231 1015890542 /nfs/dbraw/zinc/89/05/42/1015890542.db2.gz SNHSJWVIMVCFEQ-CKEIUWERSA-N 0 0 329.444 3.573 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1csc2c1CCCC2 ZINC000152182348 1016024374 /nfs/dbraw/zinc/02/43/74/1016024374.db2.gz PXEDIXWIRPGKKK-CQSZACIVSA-N 0 0 344.484 3.607 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1)C2 ZINC000112748906 1016045069 /nfs/dbraw/zinc/04/50/69/1016045069.db2.gz OHBNXNRDKWPQSS-HZPDHXFCSA-N 0 0 346.519 3.826 10 0 EHAERN CC(C)(C)c1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cs1 ZINC000407965978 1016530743 /nfs/dbraw/zinc/53/07/43/1016530743.db2.gz XMVJGTXTDZFNRC-YUELXQCFSA-N 0 0 336.501 3.596 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2oc(CC(C)C)nc2C)cs1 ZINC000330019736 1016836697 /nfs/dbraw/zinc/83/66/97/1016836697.db2.gz VOUMMLQBJNJQJX-AWEZNQCLSA-N 0 0 333.457 3.924 10 0 EHAERN CC1(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000180979431 1016912963 /nfs/dbraw/zinc/91/29/63/1016912963.db2.gz HSKHLHHBUOXIBV-JKSUJKDBSA-N 0 0 338.398 3.817 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)[C@H](c2ccco2)C1 ZINC000246352571 1017059164 /nfs/dbraw/zinc/05/91/64/1017059164.db2.gz PJJWJGVLRISTCO-KBMXLJTQSA-N 0 0 326.396 3.896 10 0 EHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183075112 1032159161 /nfs/dbraw/zinc/15/91/61/1032159161.db2.gz USHMPUDWBUMQFR-QGZVFWFLSA-N 0 0 347.422 3.816 10 0 EHAERN O=C(CC1CCC(C(F)(F)F)CC1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183225078 1032182849 /nfs/dbraw/zinc/18/28/49/1032182849.db2.gz NIVXCTYIXYCQDR-BPCQOVAHSA-N 0 0 344.381 3.617 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2cccc(F)c2F)c2ccccc2)[nH]1 ZINC000183255114 1032186419 /nfs/dbraw/zinc/18/64/19/1032186419.db2.gz DUZDZWBRBBNQON-PIGZYNQJSA-N 0 0 328.366 3.832 10 0 EHAERN Cc1c(NS(=O)(=O)/C=C\c2ccc(F)cc2)cnn1C1CCCC1 ZINC000588595987 1032188998 /nfs/dbraw/zinc/18/89/98/1032188998.db2.gz LJGLVEYVYBJTKG-KHPPLWFESA-N 0 0 349.431 3.858 10 0 EHAERN CCC[C@@H]1C[C@@H](C(=O)N2CCC(Nc3ccccc3F)CC2)CCO1 ZINC000184007766 1032222484 /nfs/dbraw/zinc/22/24/84/1032222484.db2.gz AQQGOQJWRKSPBA-DOTOQJQBSA-N 0 0 348.462 3.824 10 0 EHAERN Cc1cccc(C2(CNC(=O)[C@H]3CCCn4ccnc43)CCCC2)c1 ZINC000080635446 1032225080 /nfs/dbraw/zinc/22/50/80/1032225080.db2.gz YSYPBDJFUXUGHV-SFHVURJKSA-N 0 0 337.467 3.697 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)NCCC2=CCCCCC2)CC1 ZINC000184096583 1032253008 /nfs/dbraw/zinc/25/30/08/1032253008.db2.gz IQQSSUFWHRYBNX-UHFFFAOYSA-N 0 0 344.503 3.665 10 0 EHAERN CCC1(C(=O)N2CCCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000184166580 1032261095 /nfs/dbraw/zinc/26/10/95/1032261095.db2.gz RNPTVKWBWYLVLG-UHFFFAOYSA-N 0 0 348.512 3.783 10 0 EHAERN CC(C)(C)OC(=O)C1CCC(Nc2cccc3c2OCC[C@@H]3O)CC1 ZINC000184567821 1032297959 /nfs/dbraw/zinc/29/79/59/1032297959.db2.gz QDDVMQCVQJPFIA-KVULBXGLSA-N 0 0 347.455 3.815 10 0 EHAERN O=C(C/C=C/c1ccccc1F)Nc1cccc2c1OCC[C@H]2O ZINC000185283444 1032375303 /nfs/dbraw/zinc/37/53/03/1032375303.db2.gz AAUBWIBDRXYWDR-ZNNBYXKUSA-N 0 0 327.355 3.684 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccsc2)c2ccc(F)cc2C1 ZINC000185399918 1032389108 /nfs/dbraw/zinc/38/91/08/1032389108.db2.gz YKKVQXWQACNCSK-MRXNPFEDSA-N 0 0 347.415 3.502 10 0 EHAERN C[C@@H](NCCC(Cl)(Cl)Cl)c1cn(-c2ccccc2)nn1 ZINC000185447539 1032398148 /nfs/dbraw/zinc/39/81/48/1032398148.db2.gz ZFXHJKULFRUOLB-SNVBAGLBSA-N 0 0 333.650 3.678 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000083740931 1032422544 /nfs/dbraw/zinc/42/25/44/1032422544.db2.gz SOPMNUWJIJRXLB-IAGOWNOFSA-N 0 0 345.491 3.566 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccc(C)c3)C2)c1 ZINC000081642975 1032615257 /nfs/dbraw/zinc/61/52/57/1032615257.db2.gz IKXMCZKWLHAINQ-INIZCTEOSA-N 0 0 325.408 3.642 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3oc(C)cc3C)C2)c1 ZINC000081642378 1032615715 /nfs/dbraw/zinc/61/57/15/1032615715.db2.gz SZXZYHTWCNMYMS-AWEZNQCLSA-N 0 0 329.396 3.543 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc2O1 ZINC000249119396 1032741708 /nfs/dbraw/zinc/74/17/08/1032741708.db2.gz TUHXMUIXFZNBQV-ZSKVKKPNSA-N 0 0 346.427 3.519 10 0 EHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCCC[C@H]1c1ncc[nH]1 ZINC000119238743 1032768926 /nfs/dbraw/zinc/76/89/26/1032768926.db2.gz ZCKIDMUOTBIOPF-IRXDYDNUSA-N 0 0 342.418 3.863 10 0 EHAERN O=C(NC1CCC(F)(F)CC1)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333222889 1018888676 /nfs/dbraw/zinc/88/86/76/1018888676.db2.gz WKMQMXDEGKLWNJ-OLZOCXBDSA-N 0 0 344.427 3.845 10 0 EHAERN Cc1c(NC(=O)N2CC[C@@H]3CCC[C@H]32)noc1-c1ccccc1F ZINC000333460659 1019617978 /nfs/dbraw/zinc/61/79/78/1019617978.db2.gz PNXYHRMCOXUHIB-SWLSCSKDSA-N 0 0 329.375 3.617 10 0 EHAERN CC(C)n1ncc2cc(C(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cnc21 ZINC000333509991 1019813790 /nfs/dbraw/zinc/81/37/90/1019813790.db2.gz LVPDRNYKAUCIGS-CCVOSLTKSA-N 0 0 338.455 3.520 10 0 EHAERN CCNC(=O)CCCC(=O)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588391206 1020138910 /nfs/dbraw/zinc/13/89/10/1020138910.db2.gz DHTKLZKTIDKGCZ-ALCCZGGFSA-N 0 0 343.345 3.568 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(Cl)s1 ZINC000093156137 1032879325 /nfs/dbraw/zinc/87/93/25/1032879325.db2.gz CNNYIMLJYWZYNC-MQIPJXDCSA-N 0 0 342.892 3.799 10 0 EHAERN O=C(/C=C\c1cncc(O)c1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000588408424 1020787029 /nfs/dbraw/zinc/78/70/29/1020787029.db2.gz HYUSYIIDHHLMTM-PEMRVSMSSA-N 0 0 328.799 3.721 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)c1noc2c1CCCCC2 ZINC000333972886 1021555772 /nfs/dbraw/zinc/55/57/72/1021555772.db2.gz XLJNCHCMYFXISD-DOMZBBRYSA-N 0 0 346.452 3.655 10 0 EHAERN CCCCC[C@H](C)CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164616319 1021793585 /nfs/dbraw/zinc/79/35/85/1021793585.db2.gz GBNIIHLKHOBUJY-LZLYRXPVSA-N 0 0 334.504 3.595 10 0 EHAERN COc1cccc(/C(C)=C\C(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000588430223 1021870976 /nfs/dbraw/zinc/87/09/76/1021870976.db2.gz VHVUSQIWCSUDRN-KAMYIIQDSA-N 0 0 340.427 3.834 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc2ccccc2c1 ZINC000588433928 1022098448 /nfs/dbraw/zinc/09/84/48/1022098448.db2.gz MGXRQJDENZWHIM-SREVYHEPSA-N 0 0 340.423 3.651 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@@H]3CC(=O)N(CC4CCC4)C3)no2)C1(C)C ZINC000333855886 1022307176 /nfs/dbraw/zinc/30/71/76/1022307176.db2.gz OORWQGBXOWPAPV-AGKSTNPPSA-N 0 0 345.487 3.899 10 0 EHAERN C[C@]1(CNC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCCS1 ZINC000120939450 1022545792 /nfs/dbraw/zinc/54/57/92/1022545792.db2.gz YHOWZGSCSYTQFJ-KBXCAEBGSA-N 0 0 334.485 3.874 10 0 EHAERN C[C@@H]1CCC[C@H](CC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000328925846 1022548127 /nfs/dbraw/zinc/54/81/27/1022548127.db2.gz FAQWCWZAFCATHW-IXDOHACOSA-N 0 0 344.503 3.884 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)NCCCOC2CCCC2)cc1C ZINC000101609213 1022572575 /nfs/dbraw/zinc/57/25/75/1022572575.db2.gz BKUJPJPSXWZPQP-UHFFFAOYSA-N 0 0 348.487 3.803 10 0 EHAERN Cc1ccc(F)c(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000101738701 1022686980 /nfs/dbraw/zinc/68/69/80/1022686980.db2.gz IOXONLRLGLFEKP-AWEZNQCLSA-N 0 0 349.450 3.539 10 0 EHAERN C[C@]12CN(C(=O)Nc3ccc(-c4ncon4)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333877461 1022720527 /nfs/dbraw/zinc/72/05/27/1022720527.db2.gz VSNQBQZUERNFQK-QHHYFVSCSA-N 0 0 338.411 3.637 10 0 EHAERN C/C(=C/C(=O)OC1CCN(CC(F)F)CC1)c1ccc(F)cc1 ZINC000588448319 1022883375 /nfs/dbraw/zinc/88/33/75/1022883375.db2.gz VRIXWJBKHUICIY-BENRWUELSA-N 0 0 327.346 3.502 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000588452182 1023023323 /nfs/dbraw/zinc/02/33/23/1023023323.db2.gz BOPIVVWQBGMBGE-HJWRWDBZSA-N 0 0 338.798 3.881 10 0 EHAERN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)/C=C\c1ncccc1C ZINC000588453123 1023037685 /nfs/dbraw/zinc/03/76/85/1023037685.db2.gz WHVXWIRNOMQCSB-QXZJOVLGSA-N 0 0 344.842 3.949 10 0 EHAERN CCCOC(=O)[C@@H](OC(=O)/C=C\c1ncccc1C)c1ccccc1 ZINC000588456710 1023085233 /nfs/dbraw/zinc/08/52/33/1023085233.db2.gz LTHMDRRPCHCHPA-JZHDPFOFSA-N 0 0 339.391 3.641 10 0 EHAERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000190323214 1023274729 /nfs/dbraw/zinc/27/47/29/1023274729.db2.gz JNWUWCFDQCKUIL-FZMZJTMJSA-N 0 0 346.452 3.672 10 0 EHAERN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(N2CCNC2=O)c1C ZINC000138163970 1033137818 /nfs/dbraw/zinc/13/78/18/1033137818.db2.gz OTQAKPCAVHXITE-CRAIPNDOSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1cc(CNC(=O)N[C@@H]2CCCc3c(O)cccc32)ccc1F ZINC000190673863 1023958349 /nfs/dbraw/zinc/95/83/49/1023958349.db2.gz XCBIARQKWAAMFU-QGZVFWFLSA-N 0 0 328.387 3.717 10 0 EHAERN Cc1ccccc1[C@@H](C)NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000133965697 1024071294 /nfs/dbraw/zinc/07/12/94/1024071294.db2.gz MCHGAZSXFFOWIN-ZBFHGGJFSA-N 0 0 341.459 3.605 10 0 EHAERN C[C@H](NC(=O)c1cccn1C1CCCC1)c1nc(C(C)(C)C)no1 ZINC000182236139 1024077150 /nfs/dbraw/zinc/07/71/50/1024077150.db2.gz UHUFGOKLUIMLLB-LBPRGKRZSA-N 0 0 330.432 3.775 10 0 EHAERN CCc1nnc(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)s1 ZINC000151452326 1024109789 /nfs/dbraw/zinc/10/97/89/1024109789.db2.gz GCSFHSVTTDNKRB-AAEUAGOBSA-N 0 0 346.456 3.519 10 0 EHAERN Cc1csc(C2CCN(C(=O)/C=C/c3ccnc(Cl)c3)CC2)n1 ZINC000151509971 1024163064 /nfs/dbraw/zinc/16/30/64/1024163064.db2.gz PDSPBQWGUKMDPY-NSCUHMNNSA-N 0 0 347.871 3.919 10 0 EHAERN CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000191808229 1024168272 /nfs/dbraw/zinc/16/82/72/1024168272.db2.gz NVHJYAFEJSHPSZ-GOEBONIOSA-N 0 0 327.428 3.885 10 0 EHAERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[C@H]1CCCCNC1=O ZINC000329818531 1024207173 /nfs/dbraw/zinc/20/71/73/1024207173.db2.gz FURSGZKEAXXURQ-CHWSQXEVSA-N 0 0 345.468 3.962 10 0 EHAERN COc1ccc(NC(=O)N[C@@H]2CCCc3c(O)cccc32)c(C)c1 ZINC000192198055 1024241730 /nfs/dbraw/zinc/24/17/30/1024241730.db2.gz WVSQECUERJYOKL-QGZVFWFLSA-N 0 0 326.396 3.908 10 0 EHAERN CCO[C@@H]1C[C@@H](Nc2ncncc2-c2ccccc2)C12CCOCC2 ZINC000329989693 1024276630 /nfs/dbraw/zinc/27/66/30/1024276630.db2.gz VMLHBOUKTPKJBT-QZTJIDSGSA-N 0 0 339.439 3.530 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000588499523 1025218396 /nfs/dbraw/zinc/21/83/96/1025218396.db2.gz GBRAPCHIICMNBH-OBEJXRGXSA-N 0 0 343.471 3.560 10 0 EHAERN CN1CC[C@@H](CNC(=O)/C=C/SCc2ccco2)c2ccccc21 ZINC000152163378 1025250832 /nfs/dbraw/zinc/25/08/32/1025250832.db2.gz YGLAWHFOJYJZQH-RZXPCSSPSA-N 0 0 342.464 3.766 10 0 EHAERN Cc1cc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)ccc1F ZINC000103242455 1026061688 /nfs/dbraw/zinc/06/16/88/1026061688.db2.gz PFJSYMSSFASDOU-CQSZACIVSA-N 0 0 349.450 3.539 10 0 EHAERN COC(=O)c1cc(F)ccc1COc1ccc(CCC(C)=O)cc1 ZINC000103462743 1026090119 /nfs/dbraw/zinc/09/01/19/1026090119.db2.gz IBDKQHRJGQNMMN-UHFFFAOYSA-N 0 0 330.355 3.713 10 0 EHAERN CC(C)c1nc(CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cs1 ZINC000047354794 1026211486 /nfs/dbraw/zinc/21/14/86/1026211486.db2.gz DYJVPLRBXZMHNQ-RYUDHWBXSA-N 0 0 335.473 3.513 10 0 EHAERN COc1ccccc1CCN(C)C(=O)CCc1cccc(F)c1F ZINC000104461115 1026257185 /nfs/dbraw/zinc/25/71/85/1026257185.db2.gz KQEDCPFWTGLGEN-UHFFFAOYSA-N 0 0 333.378 3.607 10 0 EHAERN Clc1ccc([C@@H](NCc2cccnc2Cl)c2ncon2)cc1 ZINC000122533901 1026531292 /nfs/dbraw/zinc/53/12/92/1026531292.db2.gz HRJMGGVCSOEHMQ-CYBMUJFWSA-N 0 0 335.194 3.651 10 0 EHAERN c1cnn([C@H]2CCCN(c3ncnc4sc5c(c43)CCCC5)C2)c1 ZINC000301153846 1026704719 /nfs/dbraw/zinc/70/47/19/1026704719.db2.gz FIKLJXOCVKNXRU-ZDUSSCGKSA-N 0 0 339.468 3.608 10 0 EHAERN C[C@@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CC1(Cl)Cl ZINC000152928949 1026857434 /nfs/dbraw/zinc/85/74/34/1026857434.db2.gz XIHURFOKTBXSNP-INIZCTEOSA-N 0 0 335.234 3.949 10 0 EHAERN FC(F)(F)c1csc(N2CCC(c3noc(C4CC4)n3)CC2)n1 ZINC000302182938 1027083167 /nfs/dbraw/zinc/08/31/67/1027083167.db2.gz RPNCOBQFWQJIQS-UHFFFAOYSA-N 0 0 344.362 3.806 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1ccc2ccccc2c1 ZINC000333622811 1027245644 /nfs/dbraw/zinc/24/56/44/1027245644.db2.gz ZSHNKJPCVYKPLS-BEFAXECRSA-N 0 0 338.451 3.990 10 0 EHAERN Cc1cccc(OC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1C ZINC000128029551 1027389119 /nfs/dbraw/zinc/38/91/19/1027389119.db2.gz XKLRYTOZNNLPKC-CQSZACIVSA-N 0 0 329.421 3.575 10 0 EHAERN Fc1ccccc1NC1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000129065278 1027518601 /nfs/dbraw/zinc/51/86/01/1027518601.db2.gz FYPUVKVCNPGIDC-UHFFFAOYSA-N 0 0 342.374 3.545 10 0 EHAERN Cc1cccc([C@@H](NS(=O)(=O)[C@H](C)CC(C)C)c2ccccn2)c1 ZINC000129899928 1027613606 /nfs/dbraw/zinc/61/36/06/1027613606.db2.gz DFYGVSLQKQDBMP-VQIMIIECSA-N 0 0 346.496 3.833 10 0 EHAERN O=C(NCc1cscn1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000101993923 1027790463 /nfs/dbraw/zinc/79/04/63/1027790463.db2.gz RBQLFIJMWSVXHO-UHFFFAOYSA-N 0 0 347.459 3.984 10 0 EHAERN Cn1cc([C@@H]2CCCN2Cc2cccn2Cc2cccs2)cn1 ZINC000131818456 1027822249 /nfs/dbraw/zinc/82/22/49/1027822249.db2.gz AQAXKDAXWZABFF-SFHVURJKSA-N 0 0 326.469 3.669 10 0 EHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CCO1 ZINC000246189653 1027928738 /nfs/dbraw/zinc/92/87/38/1027928738.db2.gz SGVYMUGFAQZCIA-ARKSPBFVSA-N 0 0 331.456 3.651 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccccc3C)CC2)n1 ZINC000132516656 1027931980 /nfs/dbraw/zinc/93/19/80/1027931980.db2.gz ASDYOHUYIJUFQM-PMACEKPBSA-N 0 0 349.478 3.587 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3ccccc3Cl)CCO2)o1 ZINC000134109402 1028095665 /nfs/dbraw/zinc/09/56/65/1028095665.db2.gz FPMRCNSAFYPQER-KRWDZBQOSA-N 0 0 333.815 3.774 10 0 EHAERN Cc1cccc2nc(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)cn21 ZINC000246278372 1028147395 /nfs/dbraw/zinc/14/73/95/1028147395.db2.gz ATQYYCQCQUEWHS-WMLDXEAASA-N 0 0 327.453 3.666 10 0 EHAERN CSCCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134943802 1028157806 /nfs/dbraw/zinc/15/78/06/1028157806.db2.gz LZESJUPCBGXECQ-MRXNPFEDSA-N 0 0 343.496 3.926 10 0 EHAERN CCC1CCC(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000153577414 1028232409 /nfs/dbraw/zinc/23/24/09/1028232409.db2.gz PQIYNWDVASSVFT-NRXISQOPSA-N 0 0 333.480 3.504 10 0 EHAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067046790 1028351620 /nfs/dbraw/zinc/35/16/20/1028351620.db2.gz FMAXKIDFFLIMPM-INIZCTEOSA-N 0 0 344.480 3.879 10 0 EHAERN CCN(CC(=O)N1CCC[C@@H]1c1cccs1)Cc1cccs1 ZINC000060941963 1028423299 /nfs/dbraw/zinc/42/32/99/1028423299.db2.gz AOSRBCBZYIKJBC-OAHLLOKOSA-N 0 0 334.510 3.995 10 0 EHAERN COc1cccc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)c1 ZINC000062078782 1028440661 /nfs/dbraw/zinc/44/06/61/1028440661.db2.gz HNFRKOCMOCXPJL-MRXNPFEDSA-N 0 0 325.408 3.626 10 0 EHAERN COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(N(C)C)cn1 ZINC000193870210 1028473646 /nfs/dbraw/zinc/47/36/46/1028473646.db2.gz NFLCDAUDJHTUIV-INIZCTEOSA-N 0 0 340.427 3.525 10 0 EHAERN COc1ccc(NC(=O)[C@@H]2CCCc3cccnc32)c2cccnc12 ZINC000194134016 1028492724 /nfs/dbraw/zinc/49/27/24/1028492724.db2.gz CZPKNOCSZHWMMC-OAHLLOKOSA-N 0 0 333.391 3.697 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000194621469 1028527682 /nfs/dbraw/zinc/52/76/82/1028527682.db2.gz JFEGPMOTDZLGDE-KBPBESRZSA-N 0 0 333.823 3.545 10 0 EHAERN Clc1ccc2nc(CN3CCC[C@H](c4nccs4)C3)cn2c1 ZINC000195357972 1028598948 /nfs/dbraw/zinc/59/89/48/1028598948.db2.gz RBPJPVYBXIRMDJ-LBPRGKRZSA-N 0 0 332.860 3.824 10 0 EHAERN Cc1ccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000195351479 1028636692 /nfs/dbraw/zinc/63/66/92/1028636692.db2.gz OLPQJDXHIRANKZ-HNNXBMFYSA-N 0 0 329.469 3.578 10 0 EHAERN Cc1ccc([C@H]2CN([C@@H](C)C(=O)Nc3cccc(C)c3C)CCO2)o1 ZINC000247080461 1028740705 /nfs/dbraw/zinc/74/07/05/1028740705.db2.gz VXWNUEYTYBKVHG-QFBILLFUSA-N 0 0 342.439 3.605 10 0 EHAERN Cc1nc2cc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)ccc2o1 ZINC000247156117 1028752126 /nfs/dbraw/zinc/75/21/26/1028752126.db2.gz XMNZXQLLBFQFFR-IAOVAPTHSA-N 0 0 341.411 3.605 10 0 EHAERN Cc1nccn1-c1ccc(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)cn1 ZINC000245512474 1028755659 /nfs/dbraw/zinc/75/56/59/1028755659.db2.gz NSJCFGXPXCAKMF-IYARVYRRSA-N 0 0 340.471 3.654 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@H](C)c3cccnc3)C2)cc1 ZINC000247303378 1028775247 /nfs/dbraw/zinc/77/52/47/1028775247.db2.gz GHQYYKCFMOSIGY-HDMKZQKVSA-N 0 0 339.439 3.739 10 0 EHAERN Cc1c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1C(F)(F)F ZINC000247315382 1028777587 /nfs/dbraw/zinc/77/75/87/1028777587.db2.gz ILDQNWHPRDRYIG-LERXQTSPSA-N 0 0 342.361 3.949 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(-c2ccccc2F)o1 ZINC000247322313 1028777877 /nfs/dbraw/zinc/77/78/77/1028777877.db2.gz IRSBSANCYJJVQA-NUEKZKHPSA-N 0 0 329.371 3.773 10 0 EHAERN O=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247393006 1028786368 /nfs/dbraw/zinc/78/63/68/1028786368.db2.gz LRMVSALQVGWBAH-MJBXVCDLSA-N 0 0 344.333 3.664 10 0 EHAERN O=C(Nc1ccc(OC(F)F)c(F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247622664 1028840819 /nfs/dbraw/zinc/84/08/19/1028840819.db2.gz TZIXTVQAWNUWTK-UHTWSYAYSA-N 0 0 344.333 3.506 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000248517379 1028882430 /nfs/dbraw/zinc/88/24/30/1028882430.db2.gz AJIBAGTWKLEZNE-JFIYKMOQSA-N 0 0 337.504 3.635 10 0 EHAERN CC(C)N(C)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC000248907271 1028962957 /nfs/dbraw/zinc/96/29/57/1028962957.db2.gz UZUNXIWUYYGSLT-CRAIPNDOSA-N 0 0 349.450 3.749 10 0 EHAERN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000245693482 1029018399 /nfs/dbraw/zinc/01/83/99/1029018399.db2.gz PGVNMLRLUUBLLJ-HOCLYGCPSA-N 0 0 336.407 3.510 10 0 EHAERN CN1CC[C@H](NC(=O)Nc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714200 1029114053 /nfs/dbraw/zinc/11/40/53/1029114053.db2.gz UKVKSZGYEQTZOU-DLBZAZTESA-N 0 0 331.366 3.532 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc(OCc2ccccc2)c1 ZINC000251941308 1029171397 /nfs/dbraw/zinc/17/13/97/1029171397.db2.gz UQHSFHCUBNIQEC-XUVXKRRUSA-N 0 0 337.419 3.563 10 0 EHAERN COCc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000078185672 1029222624 /nfs/dbraw/zinc/22/26/24/1029222624.db2.gz YRVQUMLHYVYIRD-BEFAXECRSA-N 0 0 339.435 3.860 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3c(C)noc3C)C2)cc1 ZINC000078187805 1029239752 /nfs/dbraw/zinc/23/97/52/1029239752.db2.gz VXKDLMCQXCOKEB-DYVFJYSZSA-N 0 0 342.439 3.637 10 0 EHAERN C[C@@H]1Cc2ccccc2N1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155552529 1029571208 /nfs/dbraw/zinc/57/12/08/1029571208.db2.gz YONUMJWFTRGKRO-CQSZACIVSA-N 0 0 341.480 3.878 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CCO2)o1 ZINC000246037801 1029592704 /nfs/dbraw/zinc/59/27/04/1029592704.db2.gz AGGMLSJULWRVFG-JZXOWHBKSA-N 0 0 345.826 3.945 10 0 EHAERN Cc1csc(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)n1 ZINC000079925331 1029764839 /nfs/dbraw/zinc/76/48/39/1029764839.db2.gz DKPZZYQREOTINR-UHFFFAOYSA-N 0 0 336.407 3.678 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CCCC2CCCC2)c2ccccc2)[nH]1 ZINC000079960084 1029766974 /nfs/dbraw/zinc/76/69/74/1029766974.db2.gz ASUFHVRFSFFBAZ-SFHVURJKSA-N 0 0 326.444 3.679 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000114813948 1029839409 /nfs/dbraw/zinc/83/94/09/1029839409.db2.gz RKERCOYWFVWYQR-CYBMUJFWSA-N 0 0 331.441 3.872 10 0 EHAERN CSc1ccccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156507999 1029861316 /nfs/dbraw/zinc/86/13/16/1029861316.db2.gz DNLOPVJLWQWHMD-UHFFFAOYSA-N 0 0 344.484 3.629 10 0 EHAERN Cc1csc(C2CCN(CC(=O)NCCC3=CCCCC3)CC2)n1 ZINC000156738494 1029984835 /nfs/dbraw/zinc/98/48/35/1029984835.db2.gz SKWQSQOCIPOZHJ-UHFFFAOYSA-N 0 0 347.528 3.638 10 0 EHAERN Cc1csc(C2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1 ZINC000156773293 1030008399 /nfs/dbraw/zinc/00/83/99/1030008399.db2.gz OJTSNSMBLFQZQA-UHFFFAOYSA-N 0 0 343.496 3.886 10 0 EHAERN Cc1csc(S(=O)(=O)[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000156791171 1030019594 /nfs/dbraw/zinc/01/95/94/1030019594.db2.gz XJYPLCLWTOIGSD-NSHDSACASA-N 0 0 334.422 3.641 10 0 EHAERN C[S@](=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000245470873 1030092853 /nfs/dbraw/zinc/09/28/53/1030092853.db2.gz NKCGUADYEKDSQV-YHBNFXLMSA-N 0 0 348.390 3.667 10 0 EHAERN C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632049 1030689227 /nfs/dbraw/zinc/68/92/27/1030689227.db2.gz GKFMPAYIKGLKDY-GFCCVEGCSA-N 0 0 325.343 3.693 10 0 EHAERN O=C(CCSc1ccc(F)cc1)Nc1cccc(-c2ncon2)c1 ZINC000170632754 1030693848 /nfs/dbraw/zinc/69/38/48/1030693848.db2.gz TXOSLECLLWKLQT-UHFFFAOYSA-N 0 0 343.383 3.997 10 0 EHAERN CCCOc1ccc(C=CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000170679763 1030698312 /nfs/dbraw/zinc/69/83/12/1030698312.db2.gz BKYRHOCNDBKKGD-PYUISTEWSA-N 0 0 339.439 3.618 10 0 EHAERN COc1ccccc1CCC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000171222057 1030748380 /nfs/dbraw/zinc/74/83/80/1030748380.db2.gz ZNTKIZGSAVFVKT-UHFFFAOYSA-N 0 0 344.480 3.799 10 0 EHAERN O=C(CCC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000171645321 1030771182 /nfs/dbraw/zinc/77/11/82/1030771182.db2.gz GMECXNKYMFRBSX-OAHLLOKOSA-N 0 0 328.437 3.512 10 0 EHAERN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171644580 1030772185 /nfs/dbraw/zinc/77/21/85/1030772185.db2.gz MNVNMHNUDHJIFG-MRXNPFEDSA-N 0 0 337.448 3.954 10 0 EHAERN O=C(c1cccc(OC(F)F)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171609789 1030799346 /nfs/dbraw/zinc/79/93/46/1030799346.db2.gz JJWAWEUWNRBIMT-UHFFFAOYSA-N 0 0 346.377 3.778 10 0 EHAERN C[C@H](Cc1cccc(F)c1)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171613979 1030799945 /nfs/dbraw/zinc/79/99/45/1030799945.db2.gz LZTWRXGSZKCKFP-MRXNPFEDSA-N 0 0 340.442 3.881 10 0 EHAERN COc1ccc([C@@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171609217 1030799965 /nfs/dbraw/zinc/79/99/65/1030799965.db2.gz MTLGAHACJYCMAO-MRXNPFEDSA-N 0 0 338.451 3.675 10 0 EHAERN Cc1ncccc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172051533 1030868360 /nfs/dbraw/zinc/86/83/60/1030868360.db2.gz NMFOERYFMJZNTD-QGZVFWFLSA-N 0 0 346.434 3.800 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000172636411 1030951789 /nfs/dbraw/zinc/95/17/89/1030951789.db2.gz KXOKVZCAHKQDHH-FPOVZHCZSA-N 0 0 342.483 3.685 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172605678 1030978136 /nfs/dbraw/zinc/97/81/36/1030978136.db2.gz DXQYIQHRKUSRSP-LEWJYISDSA-N 0 0 334.463 3.975 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000172890063 1031027975 /nfs/dbraw/zinc/02/79/75/1031027975.db2.gz TUTPILLTGOKSAW-ZFWWWQNUSA-N 0 0 341.317 3.757 10 0 EHAERN CCOCOc1ccc(COC(=O)/C=C\c2cncc(C)c2)cc1 ZINC000588586023 1031056787 /nfs/dbraw/zinc/05/67/87/1031056787.db2.gz CNZWHFGGIMLCDK-TWGQIWQCSA-N 0 0 327.380 3.519 10 0 EHAERN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(N2CCNC2=O)c1C ZINC000173486346 1031094737 /nfs/dbraw/zinc/09/47/37/1031094737.db2.gz MXOUWWBVSSBCQF-WBVHZDCISA-N 0 0 343.471 3.613 10 0 EHAERN CCc1cccc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)c1 ZINC000174459322 1031221055 /nfs/dbraw/zinc/22/10/55/1031221055.db2.gz VANNYXPWMCJCIZ-UHFFFAOYSA-N 0 0 338.455 3.743 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(SC)o3)C2)c1 ZINC000175413352 1031306916 /nfs/dbraw/zinc/30/69/16/1031306916.db2.gz PGDTVIPDNJZZKI-GFCCVEGCSA-N 0 0 347.436 3.648 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000175914059 1031368189 /nfs/dbraw/zinc/36/81/89/1031368189.db2.gz RXSLCXNMUUVEFD-DJJJIMSYSA-N 0 0 347.374 3.772 10 0 EHAERN Cc1nc(CCCC(=O)NC[C@H]2CCN(C)c3ccccc32)cs1 ZINC000175742782 1031371952 /nfs/dbraw/zinc/37/19/52/1031371952.db2.gz HUADPFVCZMVLAA-OAHLLOKOSA-N 0 0 343.496 3.514 10 0 EHAERN C[S@@](=O)c1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000175773283 1031376269 /nfs/dbraw/zinc/37/62/69/1031376269.db2.gz MFWGSZUVEMGZRG-HSZRJFAPSA-N 0 0 346.477 3.807 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCS[C@H]4CCCC[C@@H]43)nc21 ZINC000176230133 1031398786 /nfs/dbraw/zinc/39/87/86/1031398786.db2.gz STEZCLYASSQIBY-HOTGVXAUSA-N 0 0 343.496 3.691 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)CC3CCCCCC3)CC2)nc1 ZINC000177008272 1031475608 /nfs/dbraw/zinc/47/56/08/1031475608.db2.gz NRDAVSJDSWHWIH-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177809983 1031571901 /nfs/dbraw/zinc/57/19/01/1031571901.db2.gz BOSPKZIVGBPTKV-HXUWFJFHSA-N 0 0 331.419 3.855 10 0 EHAERN COc1c(C)ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1C ZINC000179385634 1031746316 /nfs/dbraw/zinc/74/63/16/1031746316.db2.gz OZWUVSCTOUUTSD-KRWDZBQOSA-N 0 0 344.411 3.819 10 0 EHAERN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000102438623 1031757075 /nfs/dbraw/zinc/75/70/75/1031757075.db2.gz KLQCDMJRMLHORG-OAHLLOKOSA-N 0 0 345.830 3.749 10 0 EHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1csc([C@H]2CCCO2)n1 ZINC000179251245 1031763272 /nfs/dbraw/zinc/76/32/72/1031763272.db2.gz FFQLYNHTCYWNSO-LZZSGRCPSA-N 0 0 332.469 3.549 10 0 EHAERN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179341385 1031768355 /nfs/dbraw/zinc/76/83/55/1031768355.db2.gz WYDAUJLXBUWUMB-IBGZPJMESA-N 0 0 346.434 3.768 10 0 EHAERN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179339365 1031768870 /nfs/dbraw/zinc/76/88/70/1031768870.db2.gz WWASIJNOVPWMMJ-GOSISDBHSA-N 0 0 349.438 3.532 10 0 EHAERN COC(=O)Nc1cc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)ccc1F ZINC000117647459 1031787645 /nfs/dbraw/zinc/78/76/45/1031787645.db2.gz DCQZYFDMOHWNTC-MGPLVRAMSA-N 0 0 344.342 3.507 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000179623130 1031793005 /nfs/dbraw/zinc/79/30/05/1031793005.db2.gz SRMVMVBWZMHHFG-LJQANCHMSA-N 0 0 325.383 3.565 10 0 EHAERN O=C(/C=C/c1ccc(O)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000180070787 1031837440 /nfs/dbraw/zinc/83/74/40/1031837440.db2.gz MWFDUUDNSNVNQC-JXMROGBWSA-N 0 0 340.398 3.648 10 0 EHAERN O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2cccs2)CC1 ZINC000117720743 1031840874 /nfs/dbraw/zinc/84/08/74/1031840874.db2.gz MHHJCNMQJONQNJ-UHFFFAOYSA-N 0 0 337.404 3.728 10 0 EHAERN CC1(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCCCC1 ZINC000180342163 1031842416 /nfs/dbraw/zinc/84/24/16/1031842416.db2.gz PSDATLGNBLTDQD-UHFFFAOYSA-N 0 0 348.531 3.988 10 0 EHAERN COc1cc(CN[C@@H](c2cccc(F)c2)c2ccccn2)ccc1O ZINC000180169515 1031865483 /nfs/dbraw/zinc/86/54/83/1031865483.db2.gz YOPHKNVXMPUHHY-FQEVSTJZSA-N 0 0 338.382 3.814 10 0 EHAERN Clc1cccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000329704223 1031891806 /nfs/dbraw/zinc/89/18/06/1031891806.db2.gz IQTMMDWAFBHOIJ-FXUDXRNXSA-N 0 0 345.830 3.530 10 0 EHAERN CC[S@@](=O)c1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117856439 1031910288 /nfs/dbraw/zinc/91/02/88/1031910288.db2.gz VLVVWEFSVDFYOQ-QHCPKHFHSA-N 0 0 345.489 3.805 10 0 EHAERN Cc1ccc([C@@H]2CN(CC(=O)Nc3ccc(C)cc3Cl)CCO2)o1 ZINC000159189206 1031924367 /nfs/dbraw/zinc/92/43/67/1031924367.db2.gz SHMKBNKTAMVOPU-KRWDZBQOSA-N 0 0 348.830 3.562 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)c3c(C)cc(C)nc3Cl)c2)n[nH]1 ZINC000181818241 1032037567 /nfs/dbraw/zinc/03/75/67/1032037567.db2.gz GWIBFUUWHCFVEO-UHFFFAOYSA-N 0 0 341.802 3.698 10 0 EHAERN Cc1nnc([C@H](NC(=O)C/C=C/c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000084757218 1033923750 /nfs/dbraw/zinc/92/37/50/1033923750.db2.gz NQKWWGZYTMVCBQ-ROUKRRSUSA-N 0 0 346.434 3.731 10 0 EHAERN CCC(C)(C)C1CCC(NC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000173504230 1034000148 /nfs/dbraw/zinc/00/01/48/1034000148.db2.gz MGUNHCUGJYBOAW-JCYILVPMSA-N 0 0 347.507 3.620 10 0 EHAERN CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000159048772 1034136132 /nfs/dbraw/zinc/13/61/32/1034136132.db2.gz SCDIUYUCQBODKY-IRXDYDNUSA-N 0 0 332.492 3.524 10 0 EHAERN CCC[C@H](OC)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000450990966 1035003139 /nfs/dbraw/zinc/00/31/39/1035003139.db2.gz VTCOKZUUCQOIKX-INIZCTEOSA-N 0 0 330.428 3.657 10 0 EHAERN CCC1(C(=O)NC2CCN(c3cccc(C)n3)CC2)CCCCC1 ZINC000185879353 1035555241 /nfs/dbraw/zinc/55/52/41/1035555241.db2.gz CCSVZIMWKSMTNY-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN O=C(Cc1cccc2ccccc21)N1CCCN(c2ccccn2)CC1 ZINC000186424062 1035629985 /nfs/dbraw/zinc/62/99/85/1035629985.db2.gz FFPPOYJOLWGMMS-UHFFFAOYSA-N 0 0 345.446 3.516 10 0 EHAERN Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c(Cl)n1 ZINC000186428040 1035633927 /nfs/dbraw/zinc/63/39/27/1035633927.db2.gz COIQCQBWAWCTOC-IBGZPJMESA-N 0 0 342.826 3.623 10 0 EHAERN C/C(=C\C(C)(C)C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000186472179 1035640235 /nfs/dbraw/zinc/64/02/35/1035640235.db2.gz XEDDRJDMJQDZIF-AUECHBEKSA-N 0 0 331.391 3.715 10 0 EHAERN CC(=O)CCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000186370615 1035648693 /nfs/dbraw/zinc/64/86/93/1035648693.db2.gz DGJOYLSYDSFRGB-KRWDZBQOSA-N 0 0 339.439 3.542 10 0 EHAERN CC(C)C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186582396 1035662449 /nfs/dbraw/zinc/66/24/49/1035662449.db2.gz VVQYWOZWNZAAOB-CQSZACIVSA-N 0 0 344.459 3.954 10 0 EHAERN COc1cnccc1[C@@H](C)NCc1ncc(-c2ccccc2F)o1 ZINC000187049925 1035746030 /nfs/dbraw/zinc/74/60/30/1035746030.db2.gz OSWZMFOHSFBVKQ-GFCCVEGCSA-N 0 0 327.359 3.735 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1F ZINC000188346797 1035913226 /nfs/dbraw/zinc/91/32/26/1035913226.db2.gz VIOHPDOHMJQZRR-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN c1c[nH]c([C@@H](NCc2ncc(-c3ccccc3)cn2)c2ccccc2)n1 ZINC000188466857 1035943279 /nfs/dbraw/zinc/94/32/79/1035943279.db2.gz UTHUZAXAVBYJRS-FQEVSTJZSA-N 0 0 341.418 3.746 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000332717916 1036000604 /nfs/dbraw/zinc/00/06/04/1036000604.db2.gz USEHXGCUQITIRP-LEUOFYLZSA-N 0 0 345.487 3.816 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000189086118 1036013985 /nfs/dbraw/zinc/01/39/85/1036013985.db2.gz TUWCPWPOTYTPJN-MRXNPFEDSA-N 0 0 344.480 3.879 10 0 EHAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189641671 1036103721 /nfs/dbraw/zinc/10/37/21/1036103721.db2.gz FDBCUPLWDJLFQA-DVOMOZLQSA-N 0 0 335.394 3.676 10 0 EHAERN O=C(c1ccc2c(c1)CCC2)N1CC2(CCOCC2)c2ccccc21 ZINC000189782192 1036125055 /nfs/dbraw/zinc/12/50/55/1036125055.db2.gz LNTXVKQBCFIMHO-UHFFFAOYSA-N 0 0 333.431 3.884 10 0 EHAERN COC(=O)c1ccc(CN2CCC[C@H]2c2csc(C)n2)cc1F ZINC000189759564 1036138166 /nfs/dbraw/zinc/13/81/66/1036138166.db2.gz PYMBSWTVDPYYLI-INIZCTEOSA-N 0 0 334.416 3.714 10 0 EHAERN CC(C)CCO[C@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189857356 1036156602 /nfs/dbraw/zinc/15/66/02/1036156602.db2.gz NAXWGFXLZBYMMN-MRXNPFEDSA-N 0 0 331.456 3.533 10 0 EHAERN O=C(NCc1ccccc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000190373549 1036231800 /nfs/dbraw/zinc/23/18/00/1036231800.db2.gz KRODXBOKUUYVTC-UHFFFAOYSA-N 0 0 340.398 3.604 10 0 EHAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190393655 1036234825 /nfs/dbraw/zinc/23/48/25/1036234825.db2.gz XVSHHCHBUWUGCH-ZDUSSCGKSA-N 0 0 347.459 3.564 10 0 EHAERN Cc1c2ccccc2oc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190395754 1036235983 /nfs/dbraw/zinc/23/59/83/1036235983.db2.gz ZQXCBRDLGNYIKL-UHFFFAOYSA-N 0 0 341.436 3.914 10 0 EHAERN C[C@@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1F ZINC000190433509 1036240275 /nfs/dbraw/zinc/24/02/75/1036240275.db2.gz RGWJJQZFWDVBGK-ZDUSSCGKSA-N 0 0 347.459 3.879 10 0 EHAERN O=C(NC1CCSCC1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190456444 1036244339 /nfs/dbraw/zinc/24/43/39/1036244339.db2.gz RMXMSEKKGAXYOD-GFCCVEGCSA-N 0 0 340.439 3.749 10 0 EHAERN Cc1cnccc1CC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191534959 1036408723 /nfs/dbraw/zinc/40/87/23/1036408723.db2.gz PCGTVCQMULSGHN-OAHLLOKOSA-N 0 0 330.378 3.617 10 0 EHAERN COC(=O)[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C ZINC000191785669 1036430148 /nfs/dbraw/zinc/43/01/48/1036430148.db2.gz JMKLMFJNFKNSJE-WFASDCNBSA-N 0 0 348.830 3.626 10 0 EHAERN CCOC1CC(CCNC(=O)N2CC=C(c3cccs3)CC2)C1 ZINC000191702127 1036435479 /nfs/dbraw/zinc/43/54/79/1036435479.db2.gz RFGXXHMMKBDESQ-UHFFFAOYSA-N 0 0 334.485 3.752 10 0 EHAERN O[C@H](CN1CC2(CCOCC2)c2ccccc21)c1cc(F)ccc1F ZINC000192286470 1036492371 /nfs/dbraw/zinc/49/23/71/1036492371.db2.gz JUPWNOIMVOSSCL-LJQANCHMSA-N 0 0 345.389 3.567 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1cnc([C@@H]2CCCO2)s1 ZINC000089658761 1036550552 /nfs/dbraw/zinc/55/05/52/1036550552.db2.gz ZMRJFAPPZCMOHE-ILDUYXDCSA-N 0 0 348.390 3.846 10 0 EHAERN CC(=O)c1ccc(OCCC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000192886347 1036559597 /nfs/dbraw/zinc/55/95/97/1036559597.db2.gz SOBHSUDWHHJZDH-UHFFFAOYSA-N 0 0 349.390 3.687 10 0 EHAERN Cc1ccc(N)cc1NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000193471969 1036689244 /nfs/dbraw/zinc/68/92/44/1036689244.db2.gz MATAVEXSWBVYTG-UHFFFAOYSA-N 0 0 325.343 3.553 10 0 EHAERN CSc1cc(C(=O)NCCc2c[nH]c3cccc(C)c23)ccn1 ZINC000103127667 1036845537 /nfs/dbraw/zinc/84/55/37/1036845537.db2.gz OIXCZIQFQIPHKL-UHFFFAOYSA-N 0 0 325.437 3.566 10 0 EHAERN CC[C@H](CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000103522571 1036917840 /nfs/dbraw/zinc/91/78/40/1036917840.db2.gz SPDXYYWITNUHDL-OXQOHEQNSA-N 0 0 348.450 3.903 10 0 EHAERN CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)s1 ZINC000104423986 1037038515 /nfs/dbraw/zinc/03/85/15/1037038515.db2.gz YSLGLSKOGZGNED-SFHVURJKSA-N 0 0 342.464 3.655 10 0 EHAERN Cc1ccc(C(=O)C2CCN(C(=O)Cc3cccs3)CC2)cc1 ZINC000001336908 1037065004 /nfs/dbraw/zinc/06/50/04/1037065004.db2.gz JGJLJWTUKUKWKT-UHFFFAOYSA-N 0 0 327.449 3.721 10 0 EHAERN CCOc1ncccc1CNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105118357 1037138231 /nfs/dbraw/zinc/13/82/31/1037138231.db2.gz LDVSRDPJPGPVLC-UHFFFAOYSA-N 0 0 343.427 3.728 10 0 EHAERN Cc1nnc([C@@H](NC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000105163730 1037149875 /nfs/dbraw/zinc/14/98/75/1037149875.db2.gz LBJIXXGLGAGWFT-KSSFIOAISA-N 0 0 349.438 3.571 10 0 EHAERN O=[S@@](Cc1nc(-c2ccoc2)no1)Cc1cccc2ccccc21 ZINC000105671444 1037237656 /nfs/dbraw/zinc/23/76/56/1037237656.db2.gz JWVXUUCXHPCUHZ-DEOSSOPVSA-N 0 0 338.388 3.932 10 0 EHAERN Cc1cc(C)c(C[S@](=O)Cc2nc(-c3ccoc3)no2)c(C)c1 ZINC000105698681 1037240970 /nfs/dbraw/zinc/24/09/70/1037240970.db2.gz IMEUMEFPGIHQSL-HSZRJFAPSA-N 0 0 330.409 3.704 10 0 EHAERN O=C(Nc1ccnn1Cc1ccccc1F)c1cccc2ncccc21 ZINC000105973292 1037268499 /nfs/dbraw/zinc/26/84/99/1037268499.db2.gz VBZPDPKFROWFAX-UHFFFAOYSA-N 0 0 346.365 3.871 10 0 EHAERN CCCCCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164413420 1037495564 /nfs/dbraw/zinc/49/55/64/1037495564.db2.gz TZXWUERBRSYLSI-NVXWUHKLSA-N 0 0 334.504 3.595 10 0 EHAERN C[C@@H](NC(=O)N1CCC(C)(O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000177466669 1037543337 /nfs/dbraw/zinc/54/33/37/1037543337.db2.gz WPPYYMVTAIKMSR-SECBINFHSA-N 0 0 349.233 3.750 10 0 EHAERN Cc1nnc([C@H](NC(=O)N[C@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000105067549 1037598673 /nfs/dbraw/zinc/59/86/73/1037598673.db2.gz ROWJIGITMFRHQO-RDTXWAMCSA-N 0 0 349.438 3.571 10 0 EHAERN O=C1NCCCC[C@H]1SCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000105636684 1037602887 /nfs/dbraw/zinc/60/28/87/1037602887.db2.gz CCLMFWJIKXRDOZ-CQSZACIVSA-N 0 0 338.379 3.522 10 0 EHAERN COc1ccsc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000106022161 1037605331 /nfs/dbraw/zinc/60/53/31/1037605331.db2.gz IYMDFNMUZFRVFK-UHFFFAOYSA-N 0 0 346.383 3.523 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000117591224 1037854278 /nfs/dbraw/zinc/85/42/78/1037854278.db2.gz YUYABNYTHHFFGX-FOIQADDNSA-N 0 0 348.402 3.768 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000117652698 1037856634 /nfs/dbraw/zinc/85/66/34/1037856634.db2.gz ITEMYJMFTBVFKS-YVEFUNNKSA-N 0 0 344.480 3.664 10 0 EHAERN COc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1OC ZINC000117719684 1037861177 /nfs/dbraw/zinc/86/11/77/1037861177.db2.gz GWZQSBVONPTHIZ-UHFFFAOYSA-N 0 0 329.421 3.695 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000117791961 1037861325 /nfs/dbraw/zinc/86/13/25/1037861325.db2.gz DIANEJSIVNBFHR-MEDUHNTESA-N 0 0 330.453 3.622 10 0 EHAERN Cc1cc(C)n2ncc(-c3noc([C@@H]4Oc5ccccc5[C@H]4C)n3)c2n1 ZINC000118166305 1037870010 /nfs/dbraw/zinc/87/00/10/1037870010.db2.gz YBICZZIIJJPSPI-MLGOLLRUSA-N 0 0 347.378 3.633 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000121321179 1037959250 /nfs/dbraw/zinc/95/92/50/1037959250.db2.gz NKYADWNWEZPJSN-VBKZILBWSA-N 0 0 347.418 3.600 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCCC[C@@H]2c2nccs2)C[C@H](C)O1 ZINC000332931370 1037965647 /nfs/dbraw/zinc/96/56/47/1037965647.db2.gz RKFHYGCQAXSMFC-LXTVHRRPSA-N 0 0 337.489 3.583 10 0 EHAERN Cc1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1C ZINC000408398961 1038819191 /nfs/dbraw/zinc/81/91/91/1038819191.db2.gz DPIMJOJTBQUOCP-ZDUSSCGKSA-N 0 0 333.823 3.834 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1c(Cl)ccc(C)c1C ZINC000408399287 1038843954 /nfs/dbraw/zinc/84/39/54/1038843954.db2.gz GKIBKMJWFNWETQ-ZDUSSCGKSA-N 0 0 333.823 3.513 10 0 EHAERN CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000252733972 1038960766 /nfs/dbraw/zinc/96/07/66/1038960766.db2.gz XQMZCGCKONOSGA-JYJNAYRXSA-N 0 0 338.398 3.673 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccccc21 ZINC000152669078 1039240860 /nfs/dbraw/zinc/24/08/60/1039240860.db2.gz VNQAZRZJHSWQCT-YWMUFLPLSA-N 0 0 342.483 3.746 10 0 EHAERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)CC(C)(C)C)C2)n1 ZINC000408429952 1040029777 /nfs/dbraw/zinc/02/97/77/1040029777.db2.gz NMILAQWWADCSES-ZDUSSCGKSA-N 0 0 344.546 3.822 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000245510439 1040074605 /nfs/dbraw/zinc/07/46/05/1040074605.db2.gz LJCCVDQZHUZINP-BZUAXINKSA-N 0 0 332.492 3.815 10 0 EHAERN CS[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCc3c(O)cccc32)C1 ZINC000250744340 1040154484 /nfs/dbraw/zinc/15/44/84/1040154484.db2.gz QQVBUGNBPZEQPH-IOASZLSFSA-N 0 0 334.485 3.743 10 0 EHAERN C[C@@]1(NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000332836515 1040156817 /nfs/dbraw/zinc/15/68/17/1040156817.db2.gz LBYADFYHSHIZJW-IXYNUQLISA-N 0 0 348.409 3.612 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cs1 ZINC000333010355 1040919130 /nfs/dbraw/zinc/91/91/30/1040919130.db2.gz RWJYVUVMFJDEGG-TZMCWYRMSA-N 0 0 337.489 3.694 10 0 EHAERN CC(C)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)nn1C(C)(C)C ZINC000121012504 1041401832 /nfs/dbraw/zinc/40/18/32/1041401832.db2.gz ZLQKLPWBKWHZIM-QRWLVFNGSA-N 0 0 347.503 3.529 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000247244127 1042210500 /nfs/dbraw/zinc/21/05/00/1042210500.db2.gz VOZZVTNKJYPHDG-RZDIXWSQSA-N 0 0 343.471 3.625 10 0 EHAERN COc1cc(F)c(C(=O)N2CCC[C@@H]2c2ccccc2)cc1OC ZINC000161708845 1042683232 /nfs/dbraw/zinc/68/32/32/1042683232.db2.gz QUTUJGXOKZAKEV-MRXNPFEDSA-N 0 0 329.371 3.820 10 0 EHAERN COCc1ccc([C@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)o1 ZINC000162028247 1042706124 /nfs/dbraw/zinc/70/61/24/1042706124.db2.gz SEPFPYMAIWGHEK-RISCZKNCSA-N 0 0 332.227 3.673 10 0 EHAERN CC(C)CC1(C(=O)N2CCC(Cc3nccn3C)CC2)CCCC1 ZINC000162327122 1042722928 /nfs/dbraw/zinc/72/29/28/1042722928.db2.gz BYAOZZKUDFUZIA-UHFFFAOYSA-N 0 0 331.504 3.808 10 0 EHAERN CO[C@H](C)c1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000121413282 1042772127 /nfs/dbraw/zinc/77/21/27/1042772127.db2.gz RPYMHRAQIQVBFU-IDHHARJASA-N 0 0 332.444 3.553 10 0 EHAERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CCC[C@H]2CCC[C@@H]21 ZINC000408359137 1043692968 /nfs/dbraw/zinc/69/29/68/1043692968.db2.gz SICAZCHPXBXZKW-CJNGLKHVSA-N 0 0 328.391 3.808 10 0 EHAERN CC(C)[C@@H](NC(=O)N[C@H](C)C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000112451756 1044608179 /nfs/dbraw/zinc/60/81/79/1044608179.db2.gz UXZFARYMKHIBTH-TZMCWYRMSA-N 0 0 345.447 3.563 10 0 EHAERN CSc1ccccc1[C@H](C)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000282221748 1128100993 /nfs/dbraw/zinc/10/09/93/1128100993.db2.gz MXZOGIVKAFSQTG-DOXZYTNZSA-N 0 0 348.512 3.806 10 0 EHAERN COc1ccccc1[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C(N)=O ZINC000102987404 1132574380 /nfs/dbraw/zinc/57/43/80/1132574380.db2.gz QXZNUVWENNKTEX-NSHDSACASA-N 0 0 346.814 3.580 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000103745347 1132798221 /nfs/dbraw/zinc/79/82/21/1132798221.db2.gz STWFISFHQCFJIV-QMTHXVAHSA-N 0 0 329.787 3.582 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)OCc3nnc(-c4ccccc4)o3)c21 ZINC000103392386 1132854752 /nfs/dbraw/zinc/85/47/52/1132854752.db2.gz ZDXZOBLDWFQPTB-UHFFFAOYSA-N 0 0 347.374 3.812 10 0 EHAERN CCCCC[C@H](C)NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101768228 1135390434 /nfs/dbraw/zinc/39/04/34/1135390434.db2.gz NIWXIWXFDPNOIY-HOTGVXAUSA-N 0 0 339.524 3.538 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)C3CCCCC3)C2)o1 ZINC000102143135 1135465024 /nfs/dbraw/zinc/46/50/24/1135465024.db2.gz WLLDTQGWFYIYEU-OAHLLOKOSA-N 0 0 333.428 3.564 10 0 EHAERN CC[C@@H](OC(=O)CCn1cccn1)c1cccc(Br)c1 ZINC000102710883 1135628654 /nfs/dbraw/zinc/62/86/54/1135628654.db2.gz JQVZEPNAKGWTIJ-CQSZACIVSA-N 0 0 337.217 3.730 10 0 EHAERN CC(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102744503 1135639278 /nfs/dbraw/zinc/63/92/78/1135639278.db2.gz FFZKWAQJWMFGBM-RYUDHWBXSA-N 0 0 344.377 3.914 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(Cl)c(Cl)n1C ZINC000104458956 1135816522 /nfs/dbraw/zinc/81/65/22/1135816522.db2.gz SUQBGVFTJUEYCS-UHFFFAOYSA-N 0 0 341.238 3.655 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104837139 1135875984 /nfs/dbraw/zinc/87/59/84/1135875984.db2.gz QLUSYAGCGNPXNG-UHFFFAOYSA-N 0 0 343.789 3.937 10 0 EHAERN CC[C@@H](C)c1ccc(OC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 ZINC000105755245 1135969401 /nfs/dbraw/zinc/96/94/01/1135969401.db2.gz XNPHSCGBMDNBSB-PBHICJAKSA-N 0 0 329.440 3.754 10 0 EHAERN CC[C@@H](C)OC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000103666254 1137467644 /nfs/dbraw/zinc/46/76/44/1137467644.db2.gz WXCOUCPRZMORSB-CYBMUJFWSA-N 0 0 345.468 3.638 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc(F)c(F)cc1F ZINC000105044624 1137880020 /nfs/dbraw/zinc/88/00/20/1137880020.db2.gz PTDAWQNAIHQVNQ-UHFFFAOYSA-N 0 0 337.345 3.986 10 0 EHAERN O=C(NCc1cccc2c1OCO2)N(Cc1ccco1)C1CCCC1 ZINC000105173129 1137880329 /nfs/dbraw/zinc/88/03/29/1137880329.db2.gz GUZHFTXWZZIYLG-UHFFFAOYSA-N 0 0 342.395 3.663 10 0 EHAERN CC[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1nc(C)cs1 ZINC000105308137 1137880716 /nfs/dbraw/zinc/88/07/16/1137880716.db2.gz ITGJMWASCJIQTA-HNNXBMFYSA-N 0 0 335.448 3.926 10 0 EHAERN CC(C)c1ncc(CN(C)C(=O)NC2C3CC4CC(C3)CC2C4)cn1 ZINC000333099325 1137955352 /nfs/dbraw/zinc/95/53/52/1137955352.db2.gz PQFDHNRUNGPBBL-UHFFFAOYSA-N 0 0 342.487 3.566 10 0 EHAERN CC(C)c1noc(-c2ccc(NC(=O)N3C[C@@H]4CCC[C@H]43)cc2)n1 ZINC000333100724 1137955386 /nfs/dbraw/zinc/95/53/86/1137955386.db2.gz FQYGVEYDQALIFE-DZGCQCFKSA-N 0 0 326.400 3.876 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)cc1 ZINC000333350507 1138280092 /nfs/dbraw/zinc/28/00/92/1138280092.db2.gz BAOZNWFPDWGOAK-VSZNYVQBSA-N 0 0 339.439 3.575 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000333605914 1138310632 /nfs/dbraw/zinc/31/06/32/1138310632.db2.gz DIWKXXMWAYANDO-QIJZBDPFSA-N 0 0 336.863 3.531 10 0 EHAERN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333923031 1138347939 /nfs/dbraw/zinc/34/79/39/1138347939.db2.gz RXCXIEYNJIGPNO-VDZJLULYSA-N 0 0 348.446 3.883 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)c3cc4cccnc4[nH]3)C2)sc1C ZINC000333980701 1138357358 /nfs/dbraw/zinc/35/73/58/1138357358.db2.gz BMLLJQVKWOWAGF-AWEZNQCLSA-N 0 0 340.452 3.656 10 0 EHAERN CC1(C)C[C@H](C(=O)N[C@H]2CCc3ccccc3C2=O)c2ccccc2O1 ZINC000334116326 1138373109 /nfs/dbraw/zinc/37/31/09/1138373109.db2.gz HKQXWMAKWQTAED-ROUUACIJSA-N 0 0 349.430 3.645 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2c[nH]c3cc(F)ccc23)cs1 ZINC000187021922 1140233366 /nfs/dbraw/zinc/23/33/66/1140233366.db2.gz ZKVYUUINADDYGB-KRWDZBQOSA-N 0 0 343.427 3.978 10 0 EHAERN CCc1ccccc1OCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187078968 1140236740 /nfs/dbraw/zinc/23/67/40/1140236740.db2.gz JNFQOSBSVHZLFE-INIZCTEOSA-N 0 0 330.453 3.756 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000189768278 1140363075 /nfs/dbraw/zinc/36/30/75/1140363075.db2.gz YHWFLGAIAXJAIP-HNNXBMFYSA-N 0 0 335.860 3.881 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000190104703 1140386221 /nfs/dbraw/zinc/38/62/21/1140386221.db2.gz RFNOXOCFUGXEIJ-BXUZGUMPSA-N 0 0 342.226 3.647 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(CC(C)C)cc2)C1 ZINC000190098513 1140386774 /nfs/dbraw/zinc/38/67/74/1140386774.db2.gz HDMAJSHFFUQWBM-MSOLQXFVSA-N 0 0 329.444 3.539 10 0 EHAERN Cc1csc([C@H]2CN(C(=O)Nc3ccc(C)cc3C)CCO2)n1 ZINC000283089547 1141551185 /nfs/dbraw/zinc/55/11/85/1141551185.db2.gz WJKZIWACBINNMQ-OAHLLOKOSA-N 0 0 331.441 3.674 10 0 EHAERN O[C@H](Cc1cccc(F)c1)Cc1cc(Br)ccc1F ZINC000053785394 214197571 /nfs/dbraw/zinc/19/75/71/214197571.db2.gz MAWOSDURHYWMDB-CQSZACIVSA-N 0 0 327.168 3.873 10 0 EHAERN CN(Cc1cccc(I)c1)C(=O)OC(C)(C)C ZINC000098181524 219087645 /nfs/dbraw/zinc/08/76/45/219087645.db2.gz HBDUUHWRABPWGD-UHFFFAOYSA-N 0 0 347.196 3.658 10 0 EHAERN O=c1c2sccc2[n-]c(=S)n1Cc1ccc(F)c(Cl)c1 ZINC000100090754 219090467 /nfs/dbraw/zinc/09/04/67/219090467.db2.gz PCKBPEZWIWBAKK-UHFFFAOYSA-N 0 0 326.805 3.588 10 0 EHAERN O=C(c1cc(Br)cc(Br)c1)C(F)(F)F ZINC000100093171 219091069 /nfs/dbraw/zinc/09/10/69/219091069.db2.gz ZNBTWCALOYMPHK-UHFFFAOYSA-N 0 0 331.913 3.957 10 0 EHAERN O=c1[nH]nc(SCc2ccc(Cl)cc2)n1[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004394913 210187504 /nfs/dbraw/zinc/18/75/04/210187504.db2.gz RXFGXLAWXKSNCZ-MBNYWOFBSA-N 0 0 333.844 3.654 10 0 EHAERN CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000003611736 210065725 /nfs/dbraw/zinc/06/57/25/210065725.db2.gz JHXBPSKEYDAHNA-UHFFFAOYSA-N 0 0 332.208 3.771 10 0 EHAERN Cc1[nH]c2ccccc2c1SCCNC(=O)Cc1cccs1 ZINC000002721062 209895890 /nfs/dbraw/zinc/89/58/90/209895890.db2.gz ZZOQVLWUBZTZEK-UHFFFAOYSA-N 0 0 330.478 3.989 10 0 EHAERN O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1cc(Br)ccc1F ZINC000104096453 219347804 /nfs/dbraw/zinc/34/78/04/219347804.db2.gz YZELVQSNCXJAGM-HBNTYKKESA-N 0 0 326.209 3.754 10 0 EHAERN Cc1ccc(C(N)=S)c(Nc2ccc(Br)c(C)c2)n1 ZINC000104185913 219357283 /nfs/dbraw/zinc/35/72/83/219357283.db2.gz AAQNCTWODPAVFS-UHFFFAOYSA-N 0 0 336.258 3.839 10 0 EHAERN Cc1ccc(Br)c2c1nc(C(F)(F)F)c(C)c2NN ZINC000104209211 219360702 /nfs/dbraw/zinc/36/07/02/219360702.db2.gz RRCRTUFBMIHYDW-UHFFFAOYSA-N 0 0 334.139 3.919 10 0 EHAERN [NH3+][C@H](c1cnn(-c2ccccc2)c1)c1sccc1Br ZINC000104300186 219371552 /nfs/dbraw/zinc/37/15/52/219371552.db2.gz SGRSEIVVQSCAMR-CYBMUJFWSA-N 0 0 334.242 3.744 10 0 EHAERN CN[C@@H](c1sccc1Br)c1cc(F)ccc1OC ZINC000104285689 219371188 /nfs/dbraw/zinc/37/11/88/219371188.db2.gz ZBTCNGWCBSARHQ-GFCCVEGCSA-N 0 0 330.222 3.967 10 0 EHAERN CCOc1ccccc1Nc1ncnc(Nc2ccc(C)cn2)c1N ZINC000040798898 213388856 /nfs/dbraw/zinc/38/88/56/213388856.db2.gz XGYNRTWENBTAEA-UHFFFAOYSA-N 0 0 336.399 3.648 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040800289 213388445 /nfs/dbraw/zinc/38/84/45/213388445.db2.gz CWMPQQVVBIMEIQ-UHFFFAOYSA-N 0 0 344.321 3.882 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Sc3cccc4cccnc43)c2N)n1 ZINC000040802425 213388128 /nfs/dbraw/zinc/38/81/28/213388128.db2.gz DOCOIJYMNNUQBR-UHFFFAOYSA-N 0 0 348.435 3.561 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2nc(C)c(C)s2)c1N ZINC000040781517 213385907 /nfs/dbraw/zinc/38/59/07/213385907.db2.gz BQJNTWAJGLCKKC-UHFFFAOYSA-N 0 0 342.428 3.628 10 0 EHAERN CC(=O)c1ccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782448 213387392 /nfs/dbraw/zinc/38/73/92/213387392.db2.gz ZNJGUXYZBMJJSD-UHFFFAOYSA-N 0 0 337.358 3.888 10 0 EHAERN Cc1ccc(CNc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040783822 213387135 /nfs/dbraw/zinc/38/71/35/213387135.db2.gz YOBOEJNUTRJDQT-UHFFFAOYSA-N 0 0 340.818 3.771 10 0 EHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cc(F)ccc1F ZINC000040782514 213386951 /nfs/dbraw/zinc/38/69/51/213386951.db2.gz YOKLKRSESNWPTH-UHFFFAOYSA-N 0 0 331.301 3.963 10 0 EHAERN Nc1c(Nc2ccccc2Br)ncnc1NC1CCCC1 ZINC000040781470 213386214 /nfs/dbraw/zinc/38/62/14/213386214.db2.gz DTNQSYAPYNWQTB-UHFFFAOYSA-N 0 0 348.248 3.919 10 0 EHAERN Nc1c(Nc2ccc(F)c(F)c2)[nH]cnc1=NNc1ccccc1 ZINC000040757615 213383103 /nfs/dbraw/zinc/38/31/03/213383103.db2.gz NTODGCCZQQMGRF-UHFFFAOYSA-N 0 0 328.326 3.520 10 0 EHAERN Nc1c(Nc2ccccn2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040755668 213382906 /nfs/dbraw/zinc/38/29/06/213382906.db2.gz WEXJSRSGNGVUOF-UHFFFAOYSA-N 0 0 336.443 3.578 10 0 EHAERN Cc1cc2nc(CCO)n(CCOc3ccc(Cl)cc3)c2cc1C ZINC000040310806 213290568 /nfs/dbraw/zinc/29/05/68/213290568.db2.gz YMJMWRQTOWLMIO-UHFFFAOYSA-N 0 0 344.842 3.920 10 0 EHAERN CC(C)NC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040307319 213290343 /nfs/dbraw/zinc/29/03/43/213290343.db2.gz NMXYCDDZEYLJOW-UHFFFAOYSA-N 0 0 327.815 3.881 10 0 EHAERN CCC(=O)NCCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040197648 213280988 /nfs/dbraw/zinc/28/09/88/213280988.db2.gz ZTGRXMMVLCCOKO-UHFFFAOYSA-N 0 0 335.451 3.738 10 0 EHAERN OCc1ccc(-c2cc(Br)cc(Br)c2)nc1 ZINC000039927639 213243667 /nfs/dbraw/zinc/24/36/67/213243667.db2.gz QUBPDJDKHFZVHG-UHFFFAOYSA-N 0 0 343.018 3.766 10 0 EHAERN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1 ZINC000038008525 213188270 /nfs/dbraw/zinc/18/82/70/213188270.db2.gz WXSCUDMCGYOCMG-UHFFFAOYSA-N 0 0 336.722 3.555 10 0 EHAERN CCOC(=O)[C@@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000037973932 213178876 /nfs/dbraw/zinc/17/88/76/213178876.db2.gz MNEZUIRMGRXWGD-JTQLQIEISA-N 0 0 330.133 3.750 10 0 EHAERN COC(=O)[C@@](C)(NCC(F)(F)F)c1cc(F)c(Cl)cc1Cl ZINC000037973659 213177467 /nfs/dbraw/zinc/17/74/67/213177467.db2.gz BRASPXFHDDFAHV-NSHDSACASA-N 0 0 348.123 3.673 10 0 EHAERN CCOC(=O)[C@H](NC1CCCCC1)c1cccc(Br)c1 ZINC000037972219 213177156 /nfs/dbraw/zinc/17/71/56/213177156.db2.gz QIDUULXFYMCYJH-OAHLLOKOSA-N 0 0 340.261 3.976 10 0 EHAERN NC(=O)[C@@H](Nc1ccccc1Cl)c1ccccc1Br ZINC000037942384 213175167 /nfs/dbraw/zinc/17/51/67/213175167.db2.gz YCNBDPFNVASINS-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN COc1cccc(Cn2c(C(=O)N3CCCC3)cc3sccc32)c1 ZINC000037525708 213152748 /nfs/dbraw/zinc/15/27/48/213152748.db2.gz FRTXNKXBUAWCHF-UHFFFAOYSA-N 0 0 340.448 3.996 10 0 EHAERN COC(=O)c1sc(-c2ccc(F)cc2Br)cc1N ZINC000036929230 213125558 /nfs/dbraw/zinc/12/55/58/213125558.db2.gz QLYYVJCEAWBTFE-UHFFFAOYSA-N 0 0 330.178 3.686 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000035143633 213010370 /nfs/dbraw/zinc/01/03/70/213010370.db2.gz FKINMPPUQVVSPV-UHFFFAOYSA-N 0 0 349.434 3.534 10 0 EHAERN CC(C)[C@]1(C)CC(=O)N(c2ccc(Br)cc2F)C1=O ZINC000035084133 213007086 /nfs/dbraw/zinc/00/70/86/213007086.db2.gz SZGAAWWPYDRZQU-AWEZNQCLSA-N 0 0 328.181 3.514 10 0 EHAERN CCN(CC)c1cc(CNC(=O)Nc2cccc(Cl)c2)ccn1 ZINC000033280237 212914944 /nfs/dbraw/zinc/91/49/44/212914944.db2.gz VNPWPHMHHQQSSY-UHFFFAOYSA-N 0 0 332.835 3.903 10 0 EHAERN Clc1ccccc1-c1nnc(SCCC2OCCCO2)o1 ZINC000000290195 209520006 /nfs/dbraw/zinc/52/00/06/209520006.db2.gz YWLPKPYGSGOWHB-UHFFFAOYSA-N 0 0 326.805 3.635 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)c(C)c1 ZINC000072440990 216234766 /nfs/dbraw/zinc/23/47/66/216234766.db2.gz GGVYDZZXNWZXCS-UHFFFAOYSA-N 0 0 343.390 3.741 10 0 EHAERN O=c1[nH]c(NCCc2ccccc2)nc2nccc(-c3ccsc3)c12 ZINC000072441192 216235252 /nfs/dbraw/zinc/23/52/52/216235252.db2.gz SVQGYQUQVKLIJH-UHFFFAOYSA-N 0 0 348.431 3.701 10 0 EHAERN CCOC(=O)[C@](C)(NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000037973783 213177882 /nfs/dbraw/zinc/17/78/82/213177882.db2.gz RSSSNZLPNOTRES-GFCCVEGCSA-N 0 0 344.160 3.924 10 0 EHAERN CCOC(=O)[C@@H](N[C@@H](C)CC)c1cc(Br)ccc1F ZINC000038067593 213199993 /nfs/dbraw/zinc/19/99/93/213199993.db2.gz KDLJAZRDHPTYFK-ZANVPECISA-N 0 0 332.213 3.581 10 0 EHAERN Cc1noc(-c2cccnc2)c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000022661970 212314901 /nfs/dbraw/zinc/31/49/01/212314901.db2.gz CYAKMLQOILDTPO-UHFFFAOYSA-N 0 0 345.402 3.975 10 0 EHAERN Cc1noc(-c2cccs2)c1C(=O)NCCc1ccc(F)cc1 ZINC000022651867 212314573 /nfs/dbraw/zinc/31/45/73/212314573.db2.gz GMFZQFLNQASYIV-UHFFFAOYSA-N 0 0 330.384 3.823 10 0 EHAERN COC(=O)c1cn(C(=O)OCc2ccccc2)c2cc(OC)ccc12 ZINC000022001146 212268480 /nfs/dbraw/zinc/26/84/80/212268480.db2.gz SHACEZDXNVJBJJ-UHFFFAOYSA-N 0 0 339.347 3.621 10 0 EHAERN Cc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccccc1)CCC3 ZINC000075566894 216636433 /nfs/dbraw/zinc/63/64/33/216636433.db2.gz ZWXGCTPUXZNSDV-UHFFFAOYSA-N 0 0 340.448 3.613 10 0 EHAERN CCC(=O)Oc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000021127585 212210344 /nfs/dbraw/zinc/21/03/44/212210344.db2.gz TXSKPARSZDLHBE-UHFFFAOYSA-N 0 0 327.380 3.880 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)c1ccc(OC(C)=O)c(OC)c1 ZINC000021023887 212200253 /nfs/dbraw/zinc/20/02/53/212200253.db2.gz LWTFYFKTTWIEIC-UHFFFAOYSA-N 0 0 349.770 3.535 10 0 EHAERN NC(=S)c1ccc(OCc2cc(Br)ccc2F)cc1 ZINC000019485634 212032419 /nfs/dbraw/zinc/03/24/19/212032419.db2.gz OKAOOVZWCJJNPN-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN CCC(=O)Oc1c(C)s/c(=N\c2ccc(C)cc2)n1C(=O)CC ZINC000011638105 211227508 /nfs/dbraw/zinc/22/75/08/211227508.db2.gz AKOGYSCVQLJSEP-ZCXUNETKSA-N 0 0 332.425 3.764 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1ccnc(Cl)n1 ZINC000095086323 218277593 /nfs/dbraw/zinc/27/75/93/218277593.db2.gz ZCWNPMRCJWOTJX-LBPRGKRZSA-N 0 0 341.839 3.689 10 0 EHAERN Cc1ccc(Cn2c3ccccc3nc2N2CCC[C@H](CO)C2)cc1 ZINC000095090013 218279217 /nfs/dbraw/zinc/27/92/17/218279217.db2.gz CFDSDEPGHRMLML-SFHVURJKSA-N 0 0 335.451 3.602 10 0 EHAERN CC(C)(O)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000008785972 211008108 /nfs/dbraw/zinc/00/81/08/211008108.db2.gz HZZVXLBWGAYRMB-UHFFFAOYSA-N 0 0 330.815 3.996 10 0 EHAERN CC(C)OC(=O)N1CCCC(=O)c2cc(Br)ccc21 ZINC000095626880 218446151 /nfs/dbraw/zinc/44/61/51/218446151.db2.gz LXFPRXQEURERNM-UHFFFAOYSA-N 0 0 326.190 3.777 10 0 EHAERN CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1C(F)(F)F ZINC000095752128 218447772 /nfs/dbraw/zinc/44/77/72/218447772.db2.gz AKGATZMFXWSSBV-CYBMUJFWSA-N 0 0 330.350 3.587 10 0 EHAERN C[C@H](O)c1nc2ccccc2n1Cc1ccccc1Br ZINC000005586997 210496753 /nfs/dbraw/zinc/49/67/53/210496753.db2.gz JXYPRJXESJSZJX-NSHDSACASA-N 0 0 331.213 3.900 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)o1 ZINC000119795247 221402123 /nfs/dbraw/zinc/40/21/23/221402123.db2.gz WYSBXHLXELVXPU-CYBMUJFWSA-N 0 0 327.384 3.783 10 0 EHAERN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)C1CCC1 ZINC000037276177 132393707 /nfs/dbraw/zinc/39/37/07/132393707.db2.gz XJYKCGUBQJCUOU-INIZCTEOSA-N 0 0 348.446 3.717 10 0 EHAERN c1ccc(C2=CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 ZINC000006932837 135678726 /nfs/dbraw/zinc/67/87/26/135678726.db2.gz XHZUISBLQCVASK-UHFFFAOYSA-N 0 0 345.450 3.846 10 0 EHAERN Cc1cccc(NC[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000057340610 524678823 /nfs/dbraw/zinc/67/88/23/524678823.db2.gz CWBVFSJULYXMLH-AWEZNQCLSA-N 0 0 349.356 3.837 10 0 EHAERN Cc1nn(C)cc1CN(C)C(=O)c1cc2cn(C(C)C)cc2s1 ZINC000065285521 563844388 /nfs/dbraw/zinc/84/43/88/563844388.db2.gz RSVDRSHOUXOCBC-UHFFFAOYSA-N 0 0 330.457 3.598 10 0 EHAERN CCN(CC1CCC(C(N)=S)CC1)C(=O)OCc1ccccc1 ZINC000725243783 563975444 /nfs/dbraw/zinc/97/54/44/563975444.db2.gz HVJZMBREJPRINM-UHFFFAOYSA-N 0 0 334.485 3.738 10 0 EHAERN COc1ccc(-c2cn(-c3cccc(Cl)c3F)nn2)cc1OC ZINC000725263557 563986383 /nfs/dbraw/zinc/98/63/83/563986383.db2.gz PPPCVZFUUZYCTI-UHFFFAOYSA-N 0 0 333.750 3.744 10 0 EHAERN O[C@]1(c2cc(Br)cc(Br)c2)CCSC1 ZINC000521401987 564073858 /nfs/dbraw/zinc/07/38/58/564073858.db2.gz UUVMBUWQSJGSGM-SNVBAGLBSA-N 0 0 338.064 3.536 10 0 EHAERN O=C(Cc1c[nH]c2ccccc12)N1CCc2cc(-c3ccno3)ccc21 ZINC000075536558 564087917 /nfs/dbraw/zinc/08/79/17/564087917.db2.gz JOSIWOZBGDSGRU-UHFFFAOYSA-N 0 0 343.386 3.955 10 0 EHAERN CC(C)C(=O)[C@H]1CCCN(c2c(F)cccc2Br)C1=O ZINC000536950677 564091747 /nfs/dbraw/zinc/09/17/47/564091747.db2.gz KFCVSUIXZJDDEP-SNVBAGLBSA-N 0 0 342.208 3.556 10 0 EHAERN O=C(Cn1cc2c(n1)CCCCC2)Nc1cccc(C(F)(F)F)c1 ZINC000005148639 564111772 /nfs/dbraw/zinc/11/17/72/564111772.db2.gz ABIPSGNHDJAEQS-UHFFFAOYSA-N 0 0 337.345 3.810 10 0 EHAERN CCOC(=O)/C(C#N)=C/c1ccc(-c2c(C)cccc2[N+](=O)[O-])o1 ZINC000048545674 564129351 /nfs/dbraw/zinc/12/93/51/564129351.db2.gz SJDBCKIZLLOYOL-FMIVXFBMSA-N 0 0 326.308 3.633 10 0 EHAERN O=C(CSc1nnc(Cc2ccc(F)cc2)o1)c1ccccc1 ZINC000048554359 564129412 /nfs/dbraw/zinc/12/94/12/564129412.db2.gz LPCZMBLBGDVWRS-UHFFFAOYSA-N 0 0 328.368 3.775 10 0 EHAERN O=C([O-])C[N@H+](Cc1ccccc1)Cc1ccc(Cl)c2cccnc12 ZINC000692439229 976478562 /nfs/dbraw/zinc/47/85/62/976478562.db2.gz FPDDWLAUFWWPJH-UHFFFAOYSA-N 0 0 340.810 3.975 10 0 EHAERN COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(C)o3)s2)C[C@H]1C ZINC000188015392 1015632885 /nfs/dbraw/zinc/63/28/85/1015632885.db2.gz QKPYUHAELITSMB-YPMHNXCESA-N 0 0 347.436 3.588 10 0 EHAERN CC1(C)CCC[C@H](CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000407995282 1016785721 /nfs/dbraw/zinc/78/57/21/1016785721.db2.gz ICPMGERNOIGUNR-GDBMZVCRSA-N 0 0 349.496 3.628 10 0 EHAERN CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000408028110 1017057061 /nfs/dbraw/zinc/05/70/61/1017057061.db2.gz OJPQUFCFZSDREA-NJAFHUGGSA-N 0 0 330.472 3.957 10 0 EHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183885222 1032237039 /nfs/dbraw/zinc/23/70/39/1032237039.db2.gz BBOMROUGSUZPIO-UXHICEINSA-N 0 0 343.430 3.872 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3ccc(O)cc3)C2)cc1 ZINC000183918035 1032242491 /nfs/dbraw/zinc/24/24/91/1032242491.db2.gz CHICFXSXDYOWKB-QAPCUYQASA-N 0 0 339.435 3.738 10 0 EHAERN CC(C)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1F ZINC000184444888 1032272782 /nfs/dbraw/zinc/27/27/82/1032272782.db2.gz QBEFLZRNTSHCEX-OAHLLOKOSA-N 0 0 331.395 3.826 10 0 EHAERN C[C@@H]1C[C@H](C(=O)N2CCC(Cc3nccn3C)CC2)CC(C)(C)C1 ZINC000184242266 1032275904 /nfs/dbraw/zinc/27/59/04/1032275904.db2.gz WYIITWJHLWEEKO-WBVHZDCISA-N 0 0 331.504 3.664 10 0 EHAERN C[C@H]1C[C@H](C(=O)N2CCC(Cc3nccn3C)CC2)CC(C)(C)C1 ZINC000184242281 1032276179 /nfs/dbraw/zinc/27/61/79/1032276179.db2.gz WYIITWJHLWEEKO-RDJZCZTQSA-N 0 0 331.504 3.664 10 0 EHAERN C[C@H](CCc1ccc2c(c1)OCO2)Nc1cccc2c1OCC[C@@H]2O ZINC000184574744 1032299014 /nfs/dbraw/zinc/29/90/14/1032299014.db2.gz PSAFQDWEDMTHCW-DYVFJYSZSA-N 0 0 341.407 3.664 10 0 EHAERN CCCn1c2ccccc2nc1CN1CCCN(c2ccccn2)CC1 ZINC000184808260 1032322284 /nfs/dbraw/zinc/32/22/84/1032322284.db2.gz QTZFHPMRGKOQIM-UHFFFAOYSA-N 0 0 349.482 3.554 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)nc21 ZINC000184780883 1032332962 /nfs/dbraw/zinc/33/29/62/1032332962.db2.gz ZNEHQNBDTDFQQV-RDTXWAMCSA-N 0 0 348.450 3.809 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000081521182 1032573342 /nfs/dbraw/zinc/57/33/42/1032573342.db2.gz UAKIDFPKXNZUGY-CYBMUJFWSA-N 0 0 344.386 3.864 10 0 EHAERN O=C([C@@H]1CCCn2ccnc21)N1CC2(CCCC2)c2c1cccc2F ZINC000081623179 1032609158 /nfs/dbraw/zinc/60/91/58/1032609158.db2.gz JJEYPPCMWCORMN-CQSZACIVSA-N 0 0 339.414 3.758 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCc3cccs3)C2)c1 ZINC000081642533 1032616471 /nfs/dbraw/zinc/61/64/71/1032616471.db2.gz RRYKBWJSUCAXDI-AWEZNQCLSA-N 0 0 345.464 3.714 10 0 EHAERN FC(F)(F)c1nsc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 ZINC000408031541 1017211669 /nfs/dbraw/zinc/21/16/69/1017211669.db2.gz NTCKSPAAUCGWMV-JTQLQIEISA-N 0 0 343.378 3.500 10 0 EHAERN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000046544061 1017382903 /nfs/dbraw/zinc/38/29/03/1017382903.db2.gz XFLLKPLOSZGCPR-OAHLLOKOSA-N 0 0 342.464 3.856 10 0 EHAERN CCc1cc(C)c(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)o1 ZINC000408037452 1017453229 /nfs/dbraw/zinc/45/32/29/1017453229.db2.gz DRARHOKKQAODIG-QGZVFWFLSA-N 0 0 341.455 3.740 10 0 EHAERN Cc1c(C(=O)N[C@@H]2CCCc3cc(F)ccc32)[nH]c2c1C(=O)CCC2 ZINC000408055228 1018494770 /nfs/dbraw/zinc/49/47/70/1018494770.db2.gz XBRWSFMIGNZWCS-OAHLLOKOSA-N 0 0 340.398 3.789 10 0 EHAERN CCC[C@@H](C)C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000052166654 1018772499 /nfs/dbraw/zinc/77/24/99/1018772499.db2.gz MOMDPXIMOZSQEU-CYBMUJFWSA-N 0 0 343.393 3.575 10 0 EHAERN Cc1c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)oc2c1C(=O)CCC2 ZINC000333482649 1019726285 /nfs/dbraw/zinc/72/62/85/1019726285.db2.gz HNVTXJDBTMBPHD-HFUQMLBGSA-N 0 0 327.424 3.615 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333497165 1019781599 /nfs/dbraw/zinc/78/15/99/1019781599.db2.gz JTVTUZOQZDQLQM-WNJKXWAASA-N 0 0 336.439 3.977 10 0 EHAERN Cc1nc(Cl)ccc1NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000588610565 1032952224 /nfs/dbraw/zinc/95/22/24/1032952224.db2.gz BUIVQNPJNVQLNP-HJWRWDBZSA-N 0 0 326.780 3.595 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000246570870 1021598907 /nfs/dbraw/zinc/59/89/07/1021598907.db2.gz VMTOEJFVHKRETI-IIDMSEBBSA-N 0 0 341.455 3.998 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Nc1ccccc1Cl ZINC000588611816 1033044609 /nfs/dbraw/zinc/04/46/09/1033044609.db2.gz IQRXMLMVICHMSY-SREVYHEPSA-N 0 0 339.823 3.542 10 0 EHAERN O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)CC2 ZINC000128425243 1022435410 /nfs/dbraw/zinc/43/54/10/1022435410.db2.gz JQCOLBDYQKIXNA-DNVCBOLYSA-N 0 0 330.403 3.608 10 0 EHAERN O=C(/C=C\c1ccncn1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000588441060 1022460132 /nfs/dbraw/zinc/46/01/32/1022460132.db2.gz VJAQRGUVEHRIHX-ARJAWSKDSA-N 0 0 334.206 3.776 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCc3ccccc32)[nH]1 ZINC000328748610 1022480927 /nfs/dbraw/zinc/48/09/27/1022480927.db2.gz QMVVKOSFSLORNB-WMZOPIPTSA-N 0 0 338.455 3.677 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)c2cc(-c3ccccc3)ns2)C[C@H](C)O1 ZINC000328948461 1022539280 /nfs/dbraw/zinc/53/92/80/1022539280.db2.gz WDMCIVAGTRQQQJ-BTTYYORXSA-N 0 0 330.453 3.744 10 0 EHAERN C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)C1(C)C ZINC000333728723 1022877360 /nfs/dbraw/zinc/87/73/60/1022877360.db2.gz JLFGPWASXCOQIN-REGYPHIPSA-N 0 0 330.472 3.880 10 0 EHAERN Cc1cc(C)n(-c2ccccc2NC(=O)/C=C\c2ncccc2C)n1 ZINC000588451848 1023021350 /nfs/dbraw/zinc/02/13/50/1023021350.db2.gz LACFSUIWYFLNJD-KHPPLWFESA-N 0 0 332.407 3.844 10 0 EHAERN Cn1cnc(-c2ccc(NC(=O)/C=C\c3ccccc3Cl)cc2)n1 ZINC000588458916 1023207623 /nfs/dbraw/zinc/20/76/23/1023207623.db2.gz HLBRQPLWIIGCDN-FLIBITNWSA-N 0 0 338.798 3.787 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000080740198 1023279675 /nfs/dbraw/zinc/27/96/75/1023279675.db2.gz RGZAQGPYEPXTLS-ZFWWWQNUSA-N 0 0 348.834 3.851 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N(C)[C@@H](C)c3cnn(C)c3)cc2O1 ZINC000190425096 1023285640 /nfs/dbraw/zinc/28/56/40/1023285640.db2.gz WKDJFXSWLJPKAC-KPZWWZAWSA-N 0 0 344.415 3.542 10 0 EHAERN Cc1ccc(Cl)cc1CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190502742 1023293417 /nfs/dbraw/zinc/29/34/17/1023293417.db2.gz KDJBQEHCMRBVMZ-INIZCTEOSA-N 0 0 332.835 3.808 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000091153794 1023296842 /nfs/dbraw/zinc/29/68/42/1023296842.db2.gz USBUEQHDKPKOKK-GOEBONIOSA-N 0 0 336.794 3.684 10 0 EHAERN C[C@H]1CC(c2noc([C@H]3CCCN(C(=O)C4CC4)C3)n2)C[C@H](C)C1 ZINC000329648268 1023977974 /nfs/dbraw/zinc/97/79/74/1023977974.db2.gz FBUQOQHGYUUQNC-NFAWXSAZSA-N 0 0 331.460 3.725 10 0 EHAERN CC(C)[C@H](C)CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181332979 1024007959 /nfs/dbraw/zinc/00/79/59/1024007959.db2.gz ICUZSSILENTBDC-WBVHZDCISA-N 0 0 340.471 3.860 10 0 EHAERN Cc1cc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)ccc1F ZINC000103025314 1024017579 /nfs/dbraw/zinc/01/75/79/1024017579.db2.gz JDJBIRIIOCCGMC-BZNIZROVSA-N 0 0 326.371 3.981 10 0 EHAERN CC1CCN(C(=O)c2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000329922187 1024250873 /nfs/dbraw/zinc/25/08/73/1024250873.db2.gz HWLTWTZGKZGLRG-WMZOPIPTSA-N 0 0 341.455 3.575 10 0 EHAERN Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]32)ccc1OC1CCOCC1 ZINC000329974986 1024272443 /nfs/dbraw/zinc/27/24/43/1024272443.db2.gz XWPCWDBXCKKFNS-YOEHRIQHSA-N 0 0 330.428 3.569 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)N[C@H]3CCO[C@H]3C3CC3)o2)cc1C ZINC000330271750 1024379647 /nfs/dbraw/zinc/37/96/47/1024379647.db2.gz WLUNILSILUANAI-JQFCIGGWSA-N 0 0 327.428 3.572 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cccc4ccc(C)nc43)CCO2)o1 ZINC000151727338 1024503287 /nfs/dbraw/zinc/50/32/87/1024503287.db2.gz XGRFXDNXBSVXHK-GOSISDBHSA-N 0 0 336.391 3.658 10 0 EHAERN CSc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000280995907 1024506193 /nfs/dbraw/zinc/50/61/93/1024506193.db2.gz AUEBIBLJXQKOBN-OGWOLHLISA-N 0 0 348.512 3.806 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CC(C)(C)c3ccccc3)CCO2)o1 ZINC000151749445 1024536249 /nfs/dbraw/zinc/53/62/49/1024536249.db2.gz ORPVKWYEMJHNCB-SFHVURJKSA-N 0 0 327.424 3.856 10 0 EHAERN CC(C)OCCOCc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 ZINC000121587164 1025518911 /nfs/dbraw/zinc/51/89/11/1025518911.db2.gz AUNBASAKWDVPNZ-ROUUACIJSA-N 0 0 343.423 3.963 10 0 EHAERN COc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1-c1ccccn1 ZINC000121671567 1025636125 /nfs/dbraw/zinc/63/61/25/1025636125.db2.gz UBQOLFQKDXWDRU-CQSZACIVSA-N 0 0 333.391 3.643 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)no1 ZINC000329355902 1025777753 /nfs/dbraw/zinc/77/77/53/1025777753.db2.gz FQMBKQHUHBVRBH-FHWLQOOXSA-N 0 0 347.418 3.998 10 0 EHAERN Cc1cc2cn[nH]c2c(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1 ZINC000066759797 1025820530 /nfs/dbraw/zinc/82/05/30/1025820530.db2.gz RVHXZTNYYNKLAA-SFHVURJKSA-N 0 0 349.434 3.864 10 0 EHAERN CC(C)CC1(c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)CCCC1 ZINC000329547135 1025981604 /nfs/dbraw/zinc/98/16/04/1025981604.db2.gz AZEGIASSFYZOFS-JKSUJKDBSA-N 0 0 333.476 3.853 10 0 EHAERN Cc1nc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2C)no1 ZINC000329567758 1026009970 /nfs/dbraw/zinc/00/99/70/1026009970.db2.gz TVMUVTDWGXLEHX-SQNIBIBYSA-N 0 0 339.439 3.934 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(OC)c3)C2)cc1 ZINC000121978200 1026065968 /nfs/dbraw/zinc/06/59/68/1026065968.db2.gz QNMIQWZOMGMPMH-YOEHRIQHSA-N 0 0 325.408 3.722 10 0 EHAERN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000103504079 1026105421 /nfs/dbraw/zinc/10/54/21/1026105421.db2.gz ITADPUJAWQEYBJ-AWEZNQCLSA-N 0 0 345.393 3.876 10 0 EHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(F)c(C)c1 ZINC000103848816 1026115994 /nfs/dbraw/zinc/11/59/94/1026115994.db2.gz CRLMLUUQYLUVTO-UHFFFAOYSA-N 0 0 330.403 3.527 10 0 EHAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248387397 1026284517 /nfs/dbraw/zinc/28/45/17/1026284517.db2.gz PFZQGNOZIPXNCN-FDQGKXFDSA-N 0 0 340.471 3.971 10 0 EHAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248411247 1026574526 /nfs/dbraw/zinc/57/45/26/1026574526.db2.gz DPJBKXQWLRGYBA-QILLFSRXSA-N 0 0 343.471 3.739 10 0 EHAERN O=c1[nH]c(N2CCC[C@H](COc3ccccc3)C2)nc2ccccc21 ZINC000301278408 1026748046 /nfs/dbraw/zinc/74/80/46/1026748046.db2.gz JMTTZJAHLCFBJZ-HNNXBMFYSA-N 0 0 335.407 3.631 10 0 EHAERN Cc1cc(F)cc(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000153015181 1026934288 /nfs/dbraw/zinc/93/42/88/1026934288.db2.gz YBEPTVGNPXWURM-UHFFFAOYSA-N 0 0 333.432 3.986 10 0 EHAERN CCc1nc2sccc2c(N2CCO[C@@H](c3ccc(C)o3)C2)n1 ZINC000301830688 1026956296 /nfs/dbraw/zinc/95/62/96/1026956296.db2.gz HUFCZVHMQJBIGV-CQSZACIVSA-N 0 0 329.425 3.733 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(F)cn3)C2)cc1 ZINC000123393690 1027198854 /nfs/dbraw/zinc/19/88/54/1027198854.db2.gz YKWAKFNAEGNQGS-JSGCOSHPSA-N 0 0 329.375 3.639 10 0 EHAERN COc1ccc(C[C@@H](C)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000128613348 1027459031 /nfs/dbraw/zinc/45/90/31/1027459031.db2.gz OULJNYYESYXUOE-ZBFHGGJFSA-N 0 0 344.480 3.737 10 0 EHAERN COCc1cccc(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000130967872 1027719141 /nfs/dbraw/zinc/71/91/41/1027719141.db2.gz WQCPCLMNEXXYDE-UHFFFAOYSA-N 0 0 345.468 3.685 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000132415273 1027925326 /nfs/dbraw/zinc/92/53/26/1027925326.db2.gz QVCKMAVZILCYPU-GXTWGEPZSA-N 0 0 333.823 3.545 10 0 EHAERN CC1(C)[C@H](Nc2ccc(N3CCSCC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000246198193 1027956432 /nfs/dbraw/zinc/95/64/32/1027956432.db2.gz UMXASUOSSNHTTR-RCCFBDPRSA-N 0 0 332.513 3.855 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000132790589 1027963741 /nfs/dbraw/zinc/96/37/41/1027963741.db2.gz IZWURHUDOVAFPB-YQVWRLOYSA-N 0 0 348.531 3.985 10 0 EHAERN CC(C)Sc1ccccc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246202935 1027969051 /nfs/dbraw/zinc/96/90/51/1027969051.db2.gz USKXVABKKKAGBW-DJIMGWMZSA-N 0 0 331.481 3.875 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3OC(C)C)CCO2)o1 ZINC000153467731 1027969982 /nfs/dbraw/zinc/96/99/82/1027969982.db2.gz BSULKFKGHXUQIM-SFHVURJKSA-N 0 0 344.411 3.981 10 0 EHAERN CC(C)c1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c2ccccc2n1 ZINC000116117694 1027988655 /nfs/dbraw/zinc/98/86/55/1027988655.db2.gz OKZGTGPEOMUJPD-HNNXBMFYSA-N 0 0 348.450 3.721 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]34)nc21 ZINC000246221207 1028013301 /nfs/dbraw/zinc/01/33/01/1028013301.db2.gz PRABHZXBWRIOSP-SAWYMBPVSA-N 0 0 345.446 3.649 10 0 EHAERN CCCOc1cccc(CC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000133333198 1028019931 /nfs/dbraw/zinc/01/99/31/1028019931.db2.gz NRRHEYZUGYWYPO-LJQANCHMSA-N 0 0 343.423 3.519 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3c(F)cccc3Cl)CCO2)o1 ZINC000133435689 1028030482 /nfs/dbraw/zinc/03/04/82/1028030482.db2.gz NCQYTILKISCCLV-MRXNPFEDSA-N 0 0 337.778 3.523 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3scnc3C(C)(C)C)CCO2)o1 ZINC000133818351 1028071396 /nfs/dbraw/zinc/07/13/96/1028071396.db2.gz KPLWBXJIOIRXQS-CYBMUJFWSA-N 0 0 334.441 3.556 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3C)CCO2)o1 ZINC000133840822 1028072823 /nfs/dbraw/zinc/07/28/23/1028072823.db2.gz ASZLOPXKRMOZLS-BEFAXECRSA-N 0 0 327.424 3.990 10 0 EHAERN CCOc1ccc(CCC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000134062738 1028090753 /nfs/dbraw/zinc/09/07/53/1028090753.db2.gz JYSNOOIRJFFFNL-IBGZPJMESA-N 0 0 343.423 3.519 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccncc1 ZINC000134171235 1028100122 /nfs/dbraw/zinc/10/01/22/1028100122.db2.gz JIHUVGPFURRZMX-DZGCQCFKSA-N 0 0 345.830 3.659 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(Cl)c1 ZINC000134597803 1028130873 /nfs/dbraw/zinc/13/08/73/1028130873.db2.gz RQPBAOHXRNUFHD-GUYCJALGSA-N 0 0 345.830 3.659 10 0 EHAERN O=C(c1ccc(OCC(F)F)nc1)N1CC=C(c2ccccc2)CC1 ZINC000134657040 1028137992 /nfs/dbraw/zinc/13/79/92/1028137992.db2.gz CMWBOXBRCCMBAE-UHFFFAOYSA-N 0 0 344.361 3.655 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@@H](O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000246314191 1028205596 /nfs/dbraw/zinc/20/55/96/1028205596.db2.gz DWTQSLDVVHQOKA-DJKXOVBDSA-N 0 0 327.399 3.859 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2ccc(C)cn2)cc1 ZINC000053828019 1028209009 /nfs/dbraw/zinc/20/90/09/1028209009.db2.gz MWMSATUCZTYBOS-QGZVFWFLSA-N 0 0 342.464 3.854 10 0 EHAERN CC(C)COc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000055848558 1028291781 /nfs/dbraw/zinc/29/17/81/1028291781.db2.gz NMGPKLPPTHGWPI-JWTNVVGKSA-N 0 0 343.467 3.733 10 0 EHAERN COc1cc(C)cc(C(=O)N2CC=C(c3ccccc3F)CC2)c1O ZINC000137337184 1028308906 /nfs/dbraw/zinc/30/89/06/1028308906.db2.gz RSDWORRLFSOWTK-UHFFFAOYSA-N 0 0 341.382 3.778 10 0 EHAERN C[C@H](NC(=O)N1CCC(COc2ccccc2)CC1)c1ccncc1 ZINC000056552269 1028331468 /nfs/dbraw/zinc/33/14/68/1028331468.db2.gz OTKMMUXULVHXCK-INIZCTEOSA-N 0 0 339.439 3.643 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000062130853 1028441649 /nfs/dbraw/zinc/44/16/49/1028441649.db2.gz KOGFLIFPNKOJJR-UHFFFAOYSA-N 0 0 331.847 3.706 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000246420879 1028479934 /nfs/dbraw/zinc/47/99/34/1028479934.db2.gz NFOPGWLXSIRVDI-LSBZLQRGSA-N 0 0 327.399 3.654 10 0 EHAERN COc1c(Cl)cc(Cl)cc1CN1CCS[C@H]2COCC[C@H]21 ZINC000246441055 1028508366 /nfs/dbraw/zinc/50/83/66/1028508366.db2.gz NJGIAHYDFVIWGR-KGLIPLIRSA-N 0 0 348.295 3.708 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3cccc(F)c3C)CC2)nc1 ZINC000072599057 1028509977 /nfs/dbraw/zinc/50/99/77/1028509977.db2.gz PGMDNZZTMWJVIR-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN C[C@@H]1CCC[C@H](OC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000072691698 1028512281 /nfs/dbraw/zinc/51/22/81/1028512281.db2.gz TXPLRJGZAAULGI-HIFRSBDPSA-N 0 0 335.469 3.722 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CCCc3cccnc32)ncc1Br ZINC000194610447 1028526032 /nfs/dbraw/zinc/52/60/32/1028526032.db2.gz BNSAMHAEJDCLGF-GFCCVEGCSA-N 0 0 346.228 3.606 10 0 EHAERN COc1cc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)ccc1O ZINC000194994798 1028568053 /nfs/dbraw/zinc/56/80/53/1028568053.db2.gz NMJFQMMQTCNZSJ-GOSISDBHSA-N 0 0 333.815 3.628 10 0 EHAERN c1csc([C@H](N[C@@H]2CCCN(c3ccccc3)C2)c2ncc[nH]2)c1 ZINC000195036451 1028570401 /nfs/dbraw/zinc/57/04/01/1028570401.db2.gz UEIZWUVHQRPWMU-QAPCUYQASA-N 0 0 338.480 3.819 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@H]2CSCCS2)[C@H]1c1cccc(F)c1 ZINC000246575194 1028662778 /nfs/dbraw/zinc/66/27/78/1028662778.db2.gz FSOSRZCLLMZNRW-ISTRZQFTSA-N 0 0 339.501 3.974 10 0 EHAERN CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000246586558 1028664863 /nfs/dbraw/zinc/66/48/63/1028664863.db2.gz ZASJUBXVUKLTEB-IGOJGBNBSA-N 0 0 337.467 3.808 10 0 EHAERN C[C@@H](c1nc(-c2cccnc2)no1)N1CC=C(c2ccccc2)CC1 ZINC000075476833 1028668163 /nfs/dbraw/zinc/66/81/63/1028668163.db2.gz NMNIBJPLDSGFLU-HNNXBMFYSA-N 0 0 332.407 3.982 10 0 EHAERN CC1=NN(c2ccc(C(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc2)CC1 ZINC000247017477 1028725324 /nfs/dbraw/zinc/72/53/24/1028725324.db2.gz QYFNKKPADKLTBN-NJDAHSKKSA-N 0 0 345.446 3.588 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H]2CCO[C@H]21 ZINC000247036869 1028732953 /nfs/dbraw/zinc/73/29/53/1028732953.db2.gz NIMUXZIMFWIKEX-APHBMKBZSA-N 0 0 341.411 3.640 10 0 EHAERN CC1(C)[C@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)[C@H]2CCO[C@H]21 ZINC000246927312 1028747857 /nfs/dbraw/zinc/74/78/57/1028747857.db2.gz YSVFSASPXRXYOO-RBSFLKMASA-N 0 0 341.373 3.725 10 0 EHAERN Cc1ccc([C@H]2CN([C@@H](C)C(=O)Nc3c(C)cccc3C)CCO2)o1 ZINC000247220701 1028759048 /nfs/dbraw/zinc/75/90/48/1028759048.db2.gz ZBUJLJNFHANCCB-FUHWJXTLSA-N 0 0 342.439 3.605 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc(F)c3F)CCO2)o1 ZINC000247223431 1028760771 /nfs/dbraw/zinc/76/07/71/1028760771.db2.gz ZDMOGABZPWZNII-ZQIUZPCESA-N 0 0 347.361 3.570 10 0 EHAERN COc1cccc2[nH]cc(CC(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]34)c21 ZINC000245516324 1028761077 /nfs/dbraw/zinc/76/10/77/1028761077.db2.gz FTVMNALBOTUOIU-KNXBSLHKSA-N 0 0 346.430 3.564 10 0 EHAERN Cc1cccnc1CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245537669 1028780168 /nfs/dbraw/zinc/78/01/68/1028780168.db2.gz MLYRQJRXDFMFBK-IAGOWNOFSA-N 0 0 337.250 3.787 10 0 EHAERN CCOCc1cccc(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000247357583 1028781196 /nfs/dbraw/zinc/78/11/96/1028781196.db2.gz INLFARKTJDBWQZ-VAMGGRTRSA-N 0 0 336.435 3.931 10 0 EHAERN Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247431721 1028787740 /nfs/dbraw/zinc/78/77/40/1028787740.db2.gz NUBQZQNFPHXKSS-YNEHKIRRSA-N 0 0 340.370 3.676 10 0 EHAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000248066909 1028845257 /nfs/dbraw/zinc/84/52/57/1028845257.db2.gz RKQRTQISHKRPML-OWCLPIDISA-N 0 0 348.512 3.637 10 0 EHAERN Cc1ccc(C)c([C@@H]2CN(C[C@H]3CC4(CCC4)C(=O)O3)[C@H](C)CO2)c1 ZINC000248824142 1028953703 /nfs/dbraw/zinc/95/37/03/1028953703.db2.gz GJQXVXRWCQIUFU-LMMKCTJWSA-N 0 0 343.467 3.551 10 0 EHAERN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248831837 1028955118 /nfs/dbraw/zinc/95/51/18/1028955118.db2.gz IMEAZSOAXDPMGE-CPUCHLNUSA-N 0 0 349.858 3.588 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000248950619 1028970808 /nfs/dbraw/zinc/97/08/08/1028970808.db2.gz KDPZRTGLWQJSCS-WBVHZDCISA-N 0 0 341.411 3.703 10 0 EHAERN C[C@H](CCCc1ccccc1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000245648618 1028971172 /nfs/dbraw/zinc/97/11/72/1028971172.db2.gz GNPXWBWJURAZOC-KPFFTGBYSA-N 0 0 347.524 3.816 10 0 EHAERN C[C@H](C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cn(C)c2ccccc12 ZINC000249368565 1028998735 /nfs/dbraw/zinc/99/87/35/1028998735.db2.gz VVJWMMVIKSFQBU-SNLNFDIBSA-N 0 0 330.431 3.736 10 0 EHAERN Cc1coc2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc12 ZINC000249460190 1029002599 /nfs/dbraw/zinc/00/25/99/1029002599.db2.gz QOIHDIPNFCHZGD-KBRIMQKVSA-N 0 0 326.396 3.820 10 0 EHAERN Cc1nn(C)cc1N[C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000250136558 1029044484 /nfs/dbraw/zinc/04/44/84/1029044484.db2.gz YEVNCFQKZMNSAP-BFYDXBDKSA-N 0 0 348.491 3.709 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(-c2ccc(F)cc2)cc1F ZINC000251861931 1029165852 /nfs/dbraw/zinc/16/58/52/1029165852.db2.gz OHIYPQYOMOCDCD-QXAKKESOSA-N 0 0 343.373 3.929 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cccs1 ZINC000252657552 1029217426 /nfs/dbraw/zinc/21/74/26/1029217426.db2.gz ZZTYGUXHGJGMNW-WWGRRREGSA-N 0 0 340.514 3.553 10 0 EHAERN FC(F)Oc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000245747053 1029233344 /nfs/dbraw/zinc/23/33/44/1029233344.db2.gz GTMQOZYZLYPIJT-OCCSQVGLSA-N 0 0 349.830 3.648 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cncc(F)c3)C2)cc1 ZINC000078187010 1029239398 /nfs/dbraw/zinc/23/93/98/1029239398.db2.gz VSYWFFGNNAKVBG-QOBNANNUSA-N 0 0 340.398 3.647 10 0 EHAERN COc1cc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000245782713 1029293814 /nfs/dbraw/zinc/29/38/14/1029293814.db2.gz ZBWOQNRIKGZYDD-YJYMSZOUSA-N 0 0 331.387 3.502 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1noc2c1CCCCC2 ZINC000124969760 1029383703 /nfs/dbraw/zinc/38/37/03/1029383703.db2.gz ACKDESWVISKSPO-UHFFFAOYSA-N 0 0 330.350 3.794 10 0 EHAERN O=C(C=Cc1cccc2cccnc12)Nc1c[nH]nc1-c1ccccn1 ZINC000155503199 1029546601 /nfs/dbraw/zinc/54/66/01/1029546601.db2.gz WFTRMLRJPXTSRA-MDZDMXLPSA-N 0 0 341.374 3.672 10 0 EHAERN C[C@H](c1ccncc1)N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155488217 1029552083 /nfs/dbraw/zinc/55/20/83/1029552083.db2.gz MDGUUPBUFJEKMJ-CQSZACIVSA-N 0 0 344.484 3.515 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)c1ccc2[nH]ccc2c1 ZINC000155859014 1029674643 /nfs/dbraw/zinc/67/46/43/1029674643.db2.gz JXYNUOYKVFARNP-UHFFFAOYSA-N 0 0 325.437 3.628 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(F)ccc3O)C2)cc1 ZINC000080029381 1029812287 /nfs/dbraw/zinc/81/22/87/1029812287.db2.gz BNEYGWWINRLCMS-GXTWGEPZSA-N 0 0 329.371 3.558 10 0 EHAERN O=C(N[C@H]1CCCc2occc21)N1CCC[C@H](c2nccs2)C1 ZINC000114823370 1029854515 /nfs/dbraw/zinc/85/45/15/1029854515.db2.gz AROPCESHIBVLKC-JSGCOSHPSA-N 0 0 331.441 3.703 10 0 EHAERN CCN(C(=O)CN1CCC(c2nc(C)cs2)CC1)c1ccccc1 ZINC000156721877 1029982088 /nfs/dbraw/zinc/98/20/88/1029982088.db2.gz LCEFDBLTKSJYNC-UHFFFAOYSA-N 0 0 343.496 3.684 10 0 EHAERN CCOCc1nnc(N2CCC[C@@H]2c2ccc(F)cc2C)n1CC ZINC000453452524 1030295293 /nfs/dbraw/zinc/29/52/93/1030295293.db2.gz TYEKRHKVHXNBSS-MRXNPFEDSA-N 0 0 332.423 3.624 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)CCCC(=O)NC(C)C)CC2)cc1 ZINC000092992699 1030548335 /nfs/dbraw/zinc/54/83/35/1030548335.db2.gz VHOOEZYCJRCNGG-UHFFFAOYSA-N 0 0 342.483 3.560 10 0 EHAERN O=C(Cc1ccc(F)cc1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000169943500 1030681153 /nfs/dbraw/zinc/68/11/53/1030681153.db2.gz LEUANCBNIJFXDQ-FQEVSTJZSA-N 0 0 338.357 3.808 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccccc1OC(F)F ZINC000170632477 1030689185 /nfs/dbraw/zinc/68/91/85/1030689185.db2.gz CAKXWZGARLQDSN-UHFFFAOYSA-N 0 0 331.278 3.590 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1csc(-c2ccccn2)n1 ZINC000170632050 1030690688 /nfs/dbraw/zinc/69/06/88/1030690688.db2.gz ULPRAYWTJATGKT-UHFFFAOYSA-N 0 0 349.375 3.507 10 0 EHAERN O=C(CSc1ccc(F)c(F)c1)Nc1cccc(-c2ncon2)c1 ZINC000170632668 1030692052 /nfs/dbraw/zinc/69/20/52/1030692052.db2.gz HMBGEGZDOITQNK-UHFFFAOYSA-N 0 0 347.346 3.746 10 0 EHAERN O=C(CSC[C@@H]1CCCCO1)N1CC=C(c2ccccc2)CC1 ZINC000171350091 1030756366 /nfs/dbraw/zinc/75/63/66/1030756366.db2.gz GTRBYXCGLBROMI-SFHVURJKSA-N 0 0 331.481 3.605 10 0 EHAERN CCO[C@@H](C(=O)N1CCC(Cc2ccccn2)CC1)c1ccccc1 ZINC000171615864 1030768077 /nfs/dbraw/zinc/76/80/77/1030768077.db2.gz PDPJQCSKOANKKG-HXUWFJFHSA-N 0 0 338.451 3.641 10 0 EHAERN CCOc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000171643556 1030769885 /nfs/dbraw/zinc/76/98/85/1030769885.db2.gz RXTDGJZBWWRIHP-CQSZACIVSA-N 0 0 346.452 3.570 10 0 EHAERN O=C(Cc1ccccc1C(F)(F)F)Nc1cccc(-c2ncon2)c1 ZINC000171490884 1030785847 /nfs/dbraw/zinc/78/58/47/1030785847.db2.gz AFHZGYPSGURLMU-UHFFFAOYSA-N 0 0 347.296 3.937 10 0 EHAERN C[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1nccs1 ZINC000171562764 1030794712 /nfs/dbraw/zinc/79/47/12/1030794712.db2.gz JHSSJXUUKRYHFS-GFCCVEGCSA-N 0 0 331.416 3.842 10 0 EHAERN COc1cc(Cl)ccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171611201 1030799272 /nfs/dbraw/zinc/79/92/72/1030799272.db2.gz KYDZAAGPTZDHQF-UHFFFAOYSA-N 0 0 344.842 3.839 10 0 EHAERN O=C(c1c(F)cccc1Cl)N1CCC(Cc2ccccn2)CC1 ZINC000171609470 1030800833 /nfs/dbraw/zinc/80/08/33/1030800833.db2.gz OKRFVGCOTSHEBG-UHFFFAOYSA-N 0 0 332.806 3.969 10 0 EHAERN C[C@]1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CC1(Cl)Cl ZINC000115219777 1030833836 /nfs/dbraw/zinc/83/38/36/1030833836.db2.gz JFCLWJUNFJEOSJ-OAHLLOKOSA-N 0 0 346.229 3.779 10 0 EHAERN CC[C@H](NC(=O)N1CCOC[C@@H]1c1ccc(C)o1)c1cccs1 ZINC000172126523 1030838033 /nfs/dbraw/zinc/83/80/33/1030838033.db2.gz BMSXSHDJOOIVTR-UONOGXRCSA-N 0 0 334.441 3.884 10 0 EHAERN CCN(C(=O)c1cccc(N2CCNC2=O)c1C)[C@@H]1CCCC[C@@H]1C ZINC000173456825 1031091015 /nfs/dbraw/zinc/09/10/15/1031091015.db2.gz QBFPHZOPCPZFHL-WMLDXEAASA-N 0 0 343.471 3.565 10 0 EHAERN Cc1nc([C@H](C)NC(=O)c2ccc([C@H]3CCCOC3)cc2)cs1 ZINC000329560176 1031117188 /nfs/dbraw/zinc/11/71/88/1031117188.db2.gz RCUNOLKZQPPQJU-LRDDRELGSA-N 0 0 330.453 3.837 10 0 EHAERN O=C(Cc1cc(F)ccc1F)N1CCC(Nc2ccccc2F)CC1 ZINC000173822119 1031147132 /nfs/dbraw/zinc/14/71/32/1031147132.db2.gz VVQDRZNIGYWNNC-UHFFFAOYSA-N 0 0 348.368 3.750 10 0 EHAERN O=C1NCCCC[C@@H]1SCc1ccccc1OCC(F)(F)F ZINC000173877075 1031150686 /nfs/dbraw/zinc/15/06/86/1031150686.db2.gz ANWINWNAKMGSGU-ZDUSSCGKSA-N 0 0 333.375 3.530 10 0 EHAERN CCCc1ncc(C(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000174069079 1031160947 /nfs/dbraw/zinc/16/09/47/1031160947.db2.gz MVWDBJNAZIVHMQ-UHFFFAOYSA-N 0 0 347.459 3.951 10 0 EHAERN COc1cc(C)ccc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000174384576 1031208646 /nfs/dbraw/zinc/20/86/46/1031208646.db2.gz RNROAWXMSIYYCV-GOEBONIOSA-N 0 0 328.416 3.506 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccncc1 ZINC000174815077 1031258610 /nfs/dbraw/zinc/25/86/10/1031258610.db2.gz JYQXOSKLUNOLGE-HZPDHXFCSA-N 0 0 341.480 3.966 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000116668954 1031267033 /nfs/dbraw/zinc/26/70/33/1031267033.db2.gz HIZFXEQBCWCEKM-UHFFFAOYSA-N 0 0 345.446 3.942 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000175430756 1031335487 /nfs/dbraw/zinc/33/54/87/1031335487.db2.gz ZKNSZYGUMXPPDW-IRXDYDNUSA-N 0 0 342.483 3.812 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCS[C@@H]4CCCC[C@@H]43)nc21 ZINC000176230145 1031397099 /nfs/dbraw/zinc/39/70/99/1031397099.db2.gz STEZCLYASSQIBY-JKSUJKDBSA-N 0 0 343.496 3.691 10 0 EHAERN C[C@@H]1CCC[C@@H](N(C)C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000176625619 1031466851 /nfs/dbraw/zinc/46/68/51/1031466851.db2.gz HKQWRKBZPJEASJ-GDBMZVCRSA-N 0 0 335.517 3.937 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)Nc2c[nH]nc2-c2ccccc2)s1 ZINC000179496235 1031779781 /nfs/dbraw/zinc/77/97/81/1031779781.db2.gz KYLGPDKTYSFUEW-LLVKDONJSA-N 0 0 327.413 3.724 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc2c(c1)OCCO2 ZINC000179814903 1031813490 /nfs/dbraw/zinc/81/34/90/1031813490.db2.gz CUXPXEHOOXZGTR-ZDUSSCGKSA-N 0 0 338.407 3.906 10 0 EHAERN Cc1ccc([C@H]2CCCCCN2C(=O)c2cnc3c(c2)ncn3C)o1 ZINC000180569973 1031889656 /nfs/dbraw/zinc/88/96/56/1031889656.db2.gz ZBIMKOSEZXCNQW-MRXNPFEDSA-N 0 0 338.411 3.627 10 0 EHAERN c1ccc([C@H](c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)C2CC2)cc1 ZINC000329704688 1031895810 /nfs/dbraw/zinc/89/58/10/1031895810.db2.gz IWSLVRIUHBQUSI-BZSNNMDCSA-N 0 0 339.439 3.537 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117856183 1031910870 /nfs/dbraw/zinc/91/08/70/1031910870.db2.gz GITPGXGEMIKERP-AWEZNQCLSA-N 0 0 341.432 3.644 10 0 EHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000181030332 1031938430 /nfs/dbraw/zinc/93/84/30/1031938430.db2.gz WHUIMVQJGIALDD-UHFFFAOYSA-N 0 0 343.386 3.656 10 0 EHAERN CCc1ccsc1C(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000181196969 1031953380 /nfs/dbraw/zinc/95/33/80/1031953380.db2.gz LTQDKGPVVZLABO-UHFFFAOYSA-N 0 0 330.453 3.698 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(F)cc3C)CC2)nc1 ZINC000181193783 1031953429 /nfs/dbraw/zinc/95/34/29/1031953429.db2.gz LANYXSGNLDIIQS-UHFFFAOYSA-N 0 0 328.387 3.521 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)nc1 ZINC000181201411 1031955533 /nfs/dbraw/zinc/95/55/33/1031955533.db2.gz DEVCSKAPDSUCDD-UHFFFAOYSA-N 0 0 335.407 3.555 10 0 EHAERN CN1C(=O)C[C@H](NC/C(Cl)=C\Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000588589960 1031979683 /nfs/dbraw/zinc/97/96/83/1031979683.db2.gz YVMYONMEVRCUSV-FPZMODKHSA-N 0 0 333.646 3.520 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3ccc4[nH]ccc4c3)CCO2)o1 ZINC000181519209 1031999262 /nfs/dbraw/zinc/99/92/62/1031999262.db2.gz AQZIHWAXCUIRMU-IBGZPJMESA-N 0 0 338.407 3.602 10 0 EHAERN CN(C)c1ccc(NC(=O)N2CC=C(c3cccs3)CC2)nc1 ZINC000181908241 1032043064 /nfs/dbraw/zinc/04/30/64/1032043064.db2.gz GYLMWVRYGDRRLL-UHFFFAOYSA-N 0 0 328.441 3.530 10 0 EHAERN CCc1ccc([C@@H]2CCCN2C(=O)c2ccnn2CC(F)(F)F)o1 ZINC000449885310 1033364843 /nfs/dbraw/zinc/36/48/43/1033364843.db2.gz GULLSBCIGOAOMH-LBPRGKRZSA-N 0 0 341.333 3.578 10 0 EHAERN CCC(C)(C)C1CCC(NC(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000173504241 1034001196 /nfs/dbraw/zinc/00/11/96/1034001196.db2.gz MGUNHCUGJYBOAW-OFLPRAFFSA-N 0 0 347.507 3.620 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000120807455 1034170116 /nfs/dbraw/zinc/17/01/16/1034170116.db2.gz AGBUKXCJGXSEBW-GDBMZVCRSA-N 0 0 342.443 3.883 10 0 EHAERN C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc2ccccc2c1 ZINC000101772310 1034202016 /nfs/dbraw/zinc/20/20/16/1034202016.db2.gz UAGVRIODEAYOIC-HNNXBMFYSA-N 0 0 349.438 3.539 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000121284248 1034631798 /nfs/dbraw/zinc/63/17/98/1034631798.db2.gz SEKPMECNDBUGJA-OCCSQVGLSA-N 0 0 332.831 3.705 10 0 EHAERN CS[C@@H](C)CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121342529 1034836845 /nfs/dbraw/zinc/83/68/45/1034836845.db2.gz SBFXVDWPZLNOTR-HOCLYGCPSA-N 0 0 343.496 3.924 10 0 EHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000121396124 1034854847 /nfs/dbraw/zinc/85/48/47/1034854847.db2.gz JFMVXPABOMFXQC-DLBUCANVSA-N 0 0 329.440 3.515 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)C(C)=C2CCCC2)c2ccc(F)cc2C1 ZINC000185689588 1035510887 /nfs/dbraw/zinc/51/08/87/1035510887.db2.gz WPNSLWXLGUCYOI-LJQANCHMSA-N 0 0 344.430 3.626 10 0 EHAERN CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186695587 1035687160 /nfs/dbraw/zinc/68/71/60/1035687160.db2.gz WQMVGHGGJPZEIT-CYBMUJFWSA-N 0 0 330.432 3.708 10 0 EHAERN Cc1nn(C)cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000187784646 1035860547 /nfs/dbraw/zinc/86/05/47/1035860547.db2.gz YEVNCFQKZMNSAP-UXLLHSPISA-N 0 0 348.491 3.709 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187957008 1035869485 /nfs/dbraw/zinc/86/94/85/1035869485.db2.gz RFASHJSZASQMGV-QWQRMKEZSA-N 0 0 334.419 3.588 10 0 EHAERN COCc1cccc(CC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000189131270 1036019444 /nfs/dbraw/zinc/01/94/44/1036019444.db2.gz RQHVGWKGUWAYDZ-UHFFFAOYSA-N 0 0 339.410 3.831 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCc2c1cccc2F)[C@H]1COc2ccccc21 ZINC000332746877 1036048270 /nfs/dbraw/zinc/04/82/70/1036048270.db2.gz PPZPMERMXSCLIS-XZOAIXRZSA-N 0 0 340.398 3.677 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000189476891 1036067985 /nfs/dbraw/zinc/06/79/85/1036067985.db2.gz GJBLGBSOUUOSQV-SMDDNHRTSA-N 0 0 331.441 3.595 10 0 EHAERN Cc1ccc(-c2cncc(C(=O)NCC3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000332764483 1036102329 /nfs/dbraw/zinc/10/23/29/1036102329.db2.gz HTLDSGVNFYLWAH-HZPDHXFCSA-N 0 0 338.451 3.990 10 0 EHAERN CCc1onc(C)c1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189642230 1036104910 /nfs/dbraw/zinc/10/49/10/1036104910.db2.gz VGALWZLUKFCOJJ-LBPRGKRZSA-N 0 0 334.366 3.843 10 0 EHAERN Cc1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)ccc1F ZINC000189808010 1036147419 /nfs/dbraw/zinc/14/74/19/1036147419.db2.gz STOLDMSIMJTOKU-UHFFFAOYSA-N 0 0 325.383 3.843 10 0 EHAERN CC(=O)[C@H](C)CCCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189831771 1036153712 /nfs/dbraw/zinc/15/37/12/1036153712.db2.gz RTQVTNFFQNGIMN-MRXNPFEDSA-N 0 0 343.467 3.867 10 0 EHAERN O=C(c1ccc(F)c(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189845152 1036155580 /nfs/dbraw/zinc/15/55/80/1036155580.db2.gz UNDUCCRRYYJLMH-UHFFFAOYSA-N 0 0 329.346 3.673 10 0 EHAERN CCc1nc(CSCc2nc(-c3ccc(C)c(F)c3)no2)no1 ZINC000063642796 1036183589 /nfs/dbraw/zinc/18/35/89/1036183589.db2.gz HWIBLNYBZDVSDS-UHFFFAOYSA-N 0 0 334.376 3.563 10 0 EHAERN COc1cc(C)ccc1OCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190397226 1036209053 /nfs/dbraw/zinc/20/90/53/1036209053.db2.gz HCWKKPGTUYGSBW-GUYCJALGSA-N 0 0 346.427 3.884 10 0 EHAERN Cn1cnc(-c2cccc(NC(=O)Nc3ccc4ccn(C)c4c3)c2)n1 ZINC000190243907 1036211241 /nfs/dbraw/zinc/21/12/41/1036211241.db2.gz OKTQGZSMJFJWNJ-UHFFFAOYSA-N 0 0 346.394 3.618 10 0 EHAERN O=C(NC1CCC2(CCCCC2)CC1)N1CCC(n2cncn2)CC1 ZINC000190854145 1036282904 /nfs/dbraw/zinc/28/29/04/1036282904.db2.gz NODDAARQMWAMHB-UHFFFAOYSA-N 0 0 345.491 3.518 10 0 EHAERN C[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000192647556 1036521893 /nfs/dbraw/zinc/52/18/93/1036521893.db2.gz NLRAFHXBBKJLNX-CQSZACIVSA-N 0 0 325.387 3.781 10 0 EHAERN COc1cccc(CN[C@@H](c2noc(C)n2)c2ccccc2F)c1F ZINC000192684209 1036536280 /nfs/dbraw/zinc/53/62/80/1036536280.db2.gz QRIPGWFJQZRJLH-QGZVFWFLSA-N 0 0 345.349 3.544 10 0 EHAERN CC(C)Cn1ccc2cc(NC(=O)N(C)C[C@H]3CCCO3)ccc21 ZINC000103585633 1036949335 /nfs/dbraw/zinc/94/93/35/1036949335.db2.gz ZTPCEWVQNKLETP-QGZVFWFLSA-N 0 0 329.444 3.940 10 0 EHAERN COc1ccccc1CCN(C)C(=O)CCC(=O)c1ccc(C)s1 ZINC000104457034 1037043143 /nfs/dbraw/zinc/04/31/43/1037043143.db2.gz CLQNOEAWWFMBTD-UHFFFAOYSA-N 0 0 345.464 3.729 10 0 EHAERN CC(C)[C@H](NC(=O)N1CCCC1(C)C)c1ccc2c(c1)OCCO2 ZINC000102958439 1037049141 /nfs/dbraw/zinc/04/91/41/1037049141.db2.gz UGJJBHKCANMLPK-KRWDZBQOSA-N 0 0 332.444 3.739 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CCC(Cn4cccn4)CC3)cc2c1 ZINC000126284908 1037174159 /nfs/dbraw/zinc/17/41/59/1037174159.db2.gz NRVWJGHWJXBRFW-UHFFFAOYSA-N 0 0 348.450 3.601 10 0 EHAERN CSC[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217739 1037780448 /nfs/dbraw/zinc/78/04/48/1037780448.db2.gz WRTBZOPAMGUWFU-HOCLYGCPSA-N 0 0 343.496 3.782 10 0 EHAERN O=C(c1ccccc1O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113444187 1037785671 /nfs/dbraw/zinc/78/56/71/1037785671.db2.gz NSPLAUYACZIHLV-MRXNPFEDSA-N 0 0 347.418 3.802 10 0 EHAERN CC[C@@H](C(=O)NC1CCN(c2cccc(C)n2)CC1)c1ccccc1 ZINC000116670695 1037842947 /nfs/dbraw/zinc/84/29/47/1037842947.db2.gz OQPCNTCZWHJURJ-LJQANCHMSA-N 0 0 337.467 3.669 10 0 EHAERN COc1cc(OC)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1Cl ZINC000117570683 1037854699 /nfs/dbraw/zinc/85/46/99/1037854699.db2.gz PDLLWCLHTBUMRD-BMLIUANNSA-N 0 0 347.798 3.860 10 0 EHAERN Cc1noc2ncc(C(=O)N3CC=C(c4cccs4)CC3)cc12 ZINC000117722234 1037861337 /nfs/dbraw/zinc/86/13/37/1037861337.db2.gz MCYCMGDPUSDOMZ-UHFFFAOYSA-N 0 0 325.393 3.522 10 0 EHAERN Cc1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cnc1Cl ZINC000119377849 1037899645 /nfs/dbraw/zinc/89/96/45/1037899645.db2.gz BNNBCNBJPDTLDZ-LLVKDONJSA-N 0 0 336.848 3.911 10 0 EHAERN C[C@@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1cc2ccccc2s1 ZINC000332728955 1037949877 /nfs/dbraw/zinc/94/98/77/1037949877.db2.gz HVHFYNBPXBDQMC-OCCSQVGLSA-N 0 0 330.453 3.527 10 0 EHAERN O=C(N[C@H]1CCCC12CCOCC2)N[C@H]1CCCc2cc(F)ccc21 ZINC000332680840 1037951273 /nfs/dbraw/zinc/95/12/73/1037951273.db2.gz FQQPEGVQGFYJOS-ROUUACIJSA-N 0 0 346.446 3.852 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@H]1c1cccs1)CCC2 ZINC000332676705 1037951298 /nfs/dbraw/zinc/95/12/98/1037951298.db2.gz DADLHXZSNVFYTH-CABCVRRESA-N 0 0 344.484 3.677 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](c3nccn3C)C2)c2ccccc21 ZINC000332761885 1037952986 /nfs/dbraw/zinc/95/29/86/1037952986.db2.gz PFOAAINQUZBLJK-IIDMSEBBSA-N 0 0 338.455 3.558 10 0 EHAERN CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1OCC ZINC000121175348 1037955780 /nfs/dbraw/zinc/95/57/80/1037955780.db2.gz IWXQCXSFBQNXHH-JKSUJKDBSA-N 0 0 343.423 3.539 10 0 EHAERN CCOc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccco2)cc1OCC ZINC000121175810 1037956523 /nfs/dbraw/zinc/95/65/23/1037956523.db2.gz IWXQCXSFBQNXHH-CVEARBPZSA-N 0 0 343.423 3.539 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2cc3c(cc2Cl)OCCCO3)C[C@H](C)O1 ZINC000245808099 1038962355 /nfs/dbraw/zinc/96/23/55/1038962355.db2.gz YWBAULMRENYWRG-ZSBIGDGJSA-N 0 0 339.819 3.643 10 0 EHAERN CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000237016296 1039291977 /nfs/dbraw/zinc/29/19/77/1039291977.db2.gz VZGHJLYAZKBCRS-DJJJIMSYSA-N 0 0 327.472 3.556 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2c1 ZINC000151083224 1039726371 /nfs/dbraw/zinc/72/63/71/1039726371.db2.gz VKLQFFWYDYOEKS-DYESRHJHSA-N 0 0 338.451 3.619 10 0 EHAERN CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000245630970 1040198440 /nfs/dbraw/zinc/19/84/40/1040198440.db2.gz DJUCCLPNNJJPGI-HRCADAONSA-N 0 0 328.456 3.900 10 0 EHAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCCCC(C)(C)C1 ZINC000408442912 1040755371 /nfs/dbraw/zinc/75/53/71/1040755371.db2.gz MVTWWRMHVNZGFS-UHFFFAOYSA-N 0 0 343.471 3.931 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](O)C12CCCC2)c1ccc2ccccc2c1 ZINC000332999915 1040843331 /nfs/dbraw/zinc/84/33/31/1040843331.db2.gz RPDHSVDVBSUDOH-DNVCBOLYSA-N 0 0 338.451 3.990 10 0 EHAERN O=C(NC[C@@H]1CCCC1(F)F)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333158872 1041384015 /nfs/dbraw/zinc/38/40/15/1041384015.db2.gz GWRIXTCDRATDIA-XQQFMLRXSA-N 0 0 344.427 3.703 10 0 EHAERN O[C@@]12CCCC[C@H]1CN(c1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000301721108 1041849946 /nfs/dbraw/zinc/84/99/46/1041849946.db2.gz QGAYFVXOXRVVSP-SUMWQHHRSA-N 0 0 333.819 3.521 10 0 EHAERN Cc1sc2nc(C)nc(N3CCC(c4cc[nH]n4)CC3)c2c1C ZINC000408159260 1041921048 /nfs/dbraw/zinc/92/10/48/1041921048.db2.gz FNEJNZLBBCGJGM-UHFFFAOYSA-N 0 0 327.457 3.724 10 0 EHAERN CCO[C@@H]1C[C@@H](Nc2ncnc3sc(CC)cc32)C12CCOCC2 ZINC000302244255 1041934703 /nfs/dbraw/zinc/93/47/03/1041934703.db2.gz JYLZWZFVFUIDRR-HUUCEWRRSA-N 0 0 347.484 3.640 10 0 EHAERN CCC1CCC2(CC1)NC(=O)N([C@H]1CCOc3ccccc31)C2=O ZINC000330249796 1042510385 /nfs/dbraw/zinc/51/03/85/1042510385.db2.gz GVIZGSOWUZBTJZ-BTUGKURYSA-N 0 0 328.412 3.605 10 0 EHAERN CC[C@H](CC1CCCC1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162693132 1043764055 /nfs/dbraw/zinc/76/40/55/1043764055.db2.gz DLGYYRJNCRYASH-GOSISDBHSA-N 0 0 331.504 3.808 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCS[C@@H](C)CC2)c(Cl)c1 ZINC000408364947 1043813574 /nfs/dbraw/zinc/81/35/74/1043813574.db2.gz CQUSENBVLIZFDY-JTQLQIEISA-N 0 0 341.864 3.658 10 0 EHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000184449292 1132410254 /nfs/dbraw/zinc/41/02/54/1132410254.db2.gz JNJBXUKQALJOSG-GJZGRUSLSA-N 0 0 345.468 3.791 10 0 EHAERN CCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101768233 1135390849 /nfs/dbraw/zinc/39/08/49/1135390849.db2.gz NIWXIWXFDPNOIY-HZPDHXFCSA-N 0 0 339.524 3.538 10 0 EHAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(Cl)c2)c1 ZINC000101964482 1135434733 /nfs/dbraw/zinc/43/47/33/1135434733.db2.gz ZONDSWQFNXHHTD-XHDPSFHLSA-N 0 0 344.798 3.687 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CCC3CCCC3)C2)o1 ZINC000102143072 1135465221 /nfs/dbraw/zinc/46/52/21/1135465221.db2.gz AQZHVNYQCHZOJE-QGZVFWFLSA-N 0 0 347.455 3.954 10 0 EHAERN Cc1nc2ccccc2n1CCCOC(=O)c1cccc(F)c1F ZINC000102597067 1135595400 /nfs/dbraw/zinc/59/54/00/1135595400.db2.gz PEWPYLLLMBYEMO-UHFFFAOYSA-N 0 0 330.334 3.870 10 0 EHAERN CCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102744496 1135639467 /nfs/dbraw/zinc/63/94/67/1135639467.db2.gz KDJXOQPDUUUYFH-QWRGUYRKSA-N 0 0 330.350 3.668 10 0 EHAERN Cc1ccc(C(C)C)c(OC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000105754978 1135969414 /nfs/dbraw/zinc/96/94/14/1135969414.db2.gz XLMGIPDYGPHYQY-INIZCTEOSA-N 0 0 329.440 3.672 10 0 EHAERN CC(C)(C)c1noc(CCC(=O)Oc2ccccc2OC(F)F)n1 ZINC000105982710 1136015168 /nfs/dbraw/zinc/01/51/68/1136015168.db2.gz NOFTTXRLTGKHLT-UHFFFAOYSA-N 0 0 340.326 3.507 10 0 EHAERN CC[C@@H](C)OC(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000103666466 1137468374 /nfs/dbraw/zinc/46/83/74/1137468374.db2.gz FYZCEXSBKZZEQM-CYBMUJFWSA-N 0 0 333.457 3.707 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000102378988 1137872898 /nfs/dbraw/zinc/87/28/98/1137872898.db2.gz WITZOWOFWDGRNK-UHFFFAOYSA-N 0 0 344.842 3.839 10 0 EHAERN C[C@@H](C1CC1)n1nccc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000105941982 1137882324 /nfs/dbraw/zinc/88/23/24/1137882324.db2.gz OVNNGQVKLBJJHJ-NSHDSACASA-N 0 0 342.424 3.752 10 0 EHAERN Cc1noc([C@H]2CCCCN2C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000334065903 1138366762 /nfs/dbraw/zinc/36/67/62/1138366762.db2.gz DCYGWXMQFPXGKO-YESZJQIVSA-N 0 0 346.475 3.831 10 0 EHAERN CCOc1ncccc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186893664 1140227247 /nfs/dbraw/zinc/22/72/47/1140227247.db2.gz UQCYFJZAYOUOIB-AWEZNQCLSA-N 0 0 332.429 3.614 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000187000386 1140232052 /nfs/dbraw/zinc/23/20/52/1140232052.db2.gz JYSPYRLMDYSDRI-ZDUSSCGKSA-N 0 0 335.358 3.676 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3)n2)cs1 ZINC000187133502 1140240694 /nfs/dbraw/zinc/24/06/94/1140240694.db2.gz KJKPGUQKGSRNPB-KRWDZBQOSA-N 0 0 338.436 3.615 10 0 EHAERN CC(C)[C@@H](NC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1F ZINC000190823950 1140419767 /nfs/dbraw/zinc/41/97/67/1140419767.db2.gz LYZHZENFGVJTNI-IJGSQOGDSA-N 0 0 342.842 3.589 10 0 EHAERN Cc1nc2ccccc2c(SCc2ccc(C(=O)N(C)C)cc2)n1 ZINC000097605454 219040486 /nfs/dbraw/zinc/04/04/86/219040486.db2.gz DLBYTVOKIZKJIX-UHFFFAOYSA-N 0 0 337.448 3.932 10 0 EHAERN Cc1nn(-c2cccc(Cl)c2C(N)=S)c(C)c1Br ZINC000052908206 214153719 /nfs/dbraw/zinc/15/37/19/214153719.db2.gz LKMTUVKDZHQSSX-UHFFFAOYSA-N 0 0 344.665 3.539 10 0 EHAERN O=S(=O)(c1cc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000097757752 219054872 /nfs/dbraw/zinc/05/48/72/219054872.db2.gz PHWBKUNSRVENHQ-UHFFFAOYSA-N 0 0 336.210 3.763 10 0 EHAERN Cc1csc(N2CCCN(C(=O)Nc3ccc(C)cc3F)CC2)n1 ZINC000056528378 214377687 /nfs/dbraw/zinc/37/76/87/214377687.db2.gz GRLKMQANWFWWRJ-UHFFFAOYSA-N 0 0 348.447 3.643 10 0 EHAERN CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@H]12 ZINC000056757901 214387047 /nfs/dbraw/zinc/38/70/47/214387047.db2.gz PBHFNBQPZCRWQP-ICSRJNTNSA-N 0 0 337.423 3.667 10 0 in-vivo EHAERN COc1ccc(Oc2ccccc2I)c(N)c1 ZINC000098179108 219086683 /nfs/dbraw/zinc/08/66/83/219086683.db2.gz ONMXAVPAOKEALE-UHFFFAOYSA-N 0 0 341.148 3.674 10 0 EHAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000022172192 212280418 /nfs/dbraw/zinc/28/04/18/212280418.db2.gz CSVPSLBTIXKIRU-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN CC(C)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000044204366 213612443 /nfs/dbraw/zinc/61/24/43/213612443.db2.gz DNFFNAXCXOEQMY-GFCCVEGCSA-N 0 0 333.432 3.706 10 0 EHAERN COC(=O)[C@]1(Nc2ccc(Br)cc2)CCC[C@@H](C)C1 ZINC000104175672 219356007 /nfs/dbraw/zinc/35/60/07/219356007.db2.gz ZFDCEBHJTTXKLO-ABAIWWIYSA-N 0 0 326.234 3.983 10 0 EHAERN COc1ccc(Cl)cc1NC(=S)NC(=O)CCc1ccccc1 ZINC000040898668 213398383 /nfs/dbraw/zinc/39/83/83/213398383.db2.gz SXTFHKATFKCURD-UHFFFAOYSA-N 0 0 348.855 3.794 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040802097 213388120 /nfs/dbraw/zinc/38/81/20/213388120.db2.gz OIGBWZWSDVSKHM-UHFFFAOYSA-N 0 0 343.774 3.652 10 0 EHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccnc1Cl ZINC000040782537 213387119 /nfs/dbraw/zinc/38/71/19/213387119.db2.gz INVAUOVAKUWRTO-UHFFFAOYSA-N 0 0 330.754 3.734 10 0 EHAERN CCN(CC)c1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040723242 213376482 /nfs/dbraw/zinc/37/64/82/213376482.db2.gz OBUUHDFFDYRNHU-UHFFFAOYSA-N 0 0 326.231 3.955 10 0 EHAERN CCOc1ccccc1Nc1ncnc(N2CCCCCC2)c1N ZINC000040725705 213376152 /nfs/dbraw/zinc/37/61/52/213376152.db2.gz CSXCNRQJFMBQGX-UHFFFAOYSA-N 0 0 327.432 3.582 10 0 EHAERN COc1ccc(C)cc1Nc1[nH]cnc(=NNc2ccccc2)c1N ZINC000040684270 213369249 /nfs/dbraw/zinc/36/92/49/213369249.db2.gz ARTYJKBVRSKHQC-UHFFFAOYSA-N 0 0 336.399 3.558 10 0 EHAERN CCN(c1ccccc1)c1ncnc(Nc2cccc(OC)c2)c1N ZINC000040679405 213368189 /nfs/dbraw/zinc/36/81/89/213368189.db2.gz SSWMZPPQEQWGCS-UHFFFAOYSA-N 0 0 335.411 3.969 10 0 EHAERN CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(N)c2)nc1C ZINC000040442817 213303822 /nfs/dbraw/zinc/30/38/22/213303822.db2.gz RQDZYELGFUZPQX-UHFFFAOYSA-N 0 0 334.441 3.912 10 0 EHAERN Cc1ccccc1Cc1nc2ccccc2n1CC(=O)N1CCCC1 ZINC000040226661 213283660 /nfs/dbraw/zinc/28/36/60/213283660.db2.gz OXUBAEVJYUYQTJ-UHFFFAOYSA-N 0 0 333.435 3.558 10 0 EHAERN COC(=O)Cn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235876 213284060 /nfs/dbraw/zinc/28/40/60/213284060.db2.gz MTFLXZOFWIMZKC-UHFFFAOYSA-N 0 0 338.407 3.912 10 0 EHAERN NC(=O)c1cccc(-c2cncc(NCc3ccc(F)c(F)c3)c2)c1 ZINC000038237915 213205952 /nfs/dbraw/zinc/20/59/52/213205952.db2.gz KJOWBXYKYMKKRH-UHFFFAOYSA-N 0 0 339.345 3.738 10 0 EHAERN Nc1ccc(F)cc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000038001366 213185943 /nfs/dbraw/zinc/18/59/43/213185943.db2.gz VCHQOQQPOKOOTK-UHFFFAOYSA-N 0 0 329.158 3.732 10 0 EHAERN CCCN(C(=O)CC(C)=O)[C@@H](C)c1ccccc1Br ZINC000037839380 213169858 /nfs/dbraw/zinc/16/98/58/213169858.db2.gz BJMPHUJWGYOMCG-LBPRGKRZSA-N 0 0 326.234 3.728 10 0 EHAERN CCn1cc(Br)cc1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037844506 213169539 /nfs/dbraw/zinc/16/95/39/213169539.db2.gz SJXPIQMCEIZDMQ-JTQLQIEISA-N 0 0 325.206 3.663 10 0 EHAERN O[C@H](COCc1ccccc1)CN(Cc1ccc(F)cc1F)C1CC1 ZINC000036104163 213068783 /nfs/dbraw/zinc/06/87/83/213068783.db2.gz IZGRBOBARKHNHO-IBGZPJMESA-N 0 0 347.405 3.507 10 0 EHAERN O=C1CS[C@H](c2ccccn2)N1c1ccc(Br)cc1 ZINC000000431390 209597429 /nfs/dbraw/zinc/59/74/29/209597429.db2.gz YNVBLCZRUBLPKO-CQSZACIVSA-N 0 0 335.226 3.623 10 0 EHAERN COc1cncc(-c2cc(NCc3ccncc3)nc3[nH]ccc32)c1 ZINC000072148804 216036485 /nfs/dbraw/zinc/03/64/85/216036485.db2.gz MPJLZAQIGUTTLL-UHFFFAOYSA-N 0 0 331.379 3.641 10 0 EHAERN O=C([O-])c1ccccc1[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072156761 216045073 /nfs/dbraw/zinc/04/50/73/216045073.db2.gz LAXVWIHTERHBEC-MRXNPFEDSA-N 0 0 332.403 3.923 10 0 EHAERN O=C(Nc1ccccc1)c1nn(C(=O)c2ccccc2)c2ccccc12 ZINC000072177927 216065672 /nfs/dbraw/zinc/06/56/72/216065672.db2.gz JFOMBLRSRUFMKX-UHFFFAOYSA-N 0 0 341.370 3.977 10 0 EHAERN COc1ccc(-c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1N ZINC000072237656 216076519 /nfs/dbraw/zinc/07/65/19/216076519.db2.gz XHWBGFCHRLVCFR-UHFFFAOYSA-N 0 0 334.301 3.748 10 0 EHAERN COC(=O)c1c(C)c(-c2ccncc2)c(C)c(C(=O)OC)c1Cl ZINC000030836260 212711462 /nfs/dbraw/zinc/71/14/62/212711462.db2.gz KGJMCNQTQJRCPP-UHFFFAOYSA-N 0 0 333.771 3.592 10 0 EHAERN Cc1ccc(Br)cc1N[C@H](C)C(=O)N1CCCCC1 ZINC000037368218 213141516 /nfs/dbraw/zinc/14/15/16/213141516.db2.gz SLNSXAGTUJQWQX-GFCCVEGCSA-N 0 0 325.250 3.570 10 0 EHAERN CCn1cc(Br)cc1C(=O)Nc1cccnc1Cl ZINC000037843679 213169743 /nfs/dbraw/zinc/16/97/43/213169743.db2.gz QANLJGXAWVHWFO-UHFFFAOYSA-N 0 0 328.597 3.571 10 0 EHAERN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450926 216238747 /nfs/dbraw/zinc/23/87/47/216238747.db2.gz JMDFBWJMVJHZAV-UHFFFAOYSA-N 0 0 326.302 3.572 10 0 EHAERN CCCCN1CN(c2cccc(C)c2)c2nc(C)c(CC)c(=O)n2C1 ZINC000072442668 216235399 /nfs/dbraw/zinc/23/53/99/216235399.db2.gz BBZFDZFURRYOMM-UHFFFAOYSA-N 0 0 340.471 3.591 10 0 EHAERN O=c1[nH]c(NC2CCCCC2)nc2nccc(-c3cccs3)c12 ZINC000072441150 216235564 /nfs/dbraw/zinc/23/55/64/216235564.db2.gz YFNUHQYEFRBXIF-UHFFFAOYSA-N 0 0 326.425 3.791 10 0 EHAERN Cc1ccc(CNC(=O)c2ccc(-c3ccc(C)cc3)[nH]c2=O)cc1 ZINC000072451103 216239995 /nfs/dbraw/zinc/23/99/95/216239995.db2.gz VQBIDJHDGCEWFB-UHFFFAOYSA-N 0 0 332.403 3.589 10 0 EHAERN C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@H]1CCCO1 ZINC000027867011 212580927 /nfs/dbraw/zinc/58/09/27/212580927.db2.gz OTSNBPNXAUALQG-SWLSCSKDSA-N 0 0 337.510 3.853 10 0 EHAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000022624022 212312557 /nfs/dbraw/zinc/31/25/57/212312557.db2.gz JXOOMXUYIWAITK-YVEFUNNKSA-N 0 0 346.377 3.748 10 0 EHAERN Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1ccccc1)CC(=O)N2 ZINC000021661233 212238981 /nfs/dbraw/zinc/23/89/81/212238981.db2.gz RXLFSNWBRZFOKN-CQSZACIVSA-N 0 0 344.374 3.796 10 0 EHAERN OCc1ccc2[nH]c(-c3n[nH]c4cc(Br)ccc43)cc2c1 ZINC000255004124 244044934 /nfs/dbraw/zinc/04/49/34/244044934.db2.gz PMTUAKVEXRHTBT-UHFFFAOYSA-N 0 0 342.196 3.966 10 0 EHAERN CC(C)c1ccc(-c2csc3ncnc(N(C)CCO)c23)cc1 ZINC000020318588 212118468 /nfs/dbraw/zinc/11/84/68/212118468.db2.gz KZFRUYKTFZRUBD-UHFFFAOYSA-N 0 0 327.453 3.910 10 0 EHAERN Cc1ccc(Oc2nnnn2-c2ccccc2)c(Br)c1 ZINC000020077700 212099540 /nfs/dbraw/zinc/09/95/40/212099540.db2.gz WHUFNVXJVBCKCW-UHFFFAOYSA-N 0 0 331.173 3.526 10 0 EHAERN O=C(CNc1cc(F)cc(F)c1)Nc1cccc(Br)c1 ZINC000020054651 212098950 /nfs/dbraw/zinc/09/89/50/212098950.db2.gz NRECIFINXHAQKV-UHFFFAOYSA-N 0 0 341.155 3.778 10 0 EHAERN NC(=S)c1cccc(OCc2cc(Br)ccc2F)c1 ZINC000019508754 212034578 /nfs/dbraw/zinc/03/45/78/212034578.db2.gz VIZJUPUFGGCGCE-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN NC(=S)c1ccccc1COc1ccc(F)cc1Br ZINC000019473297 212030982 /nfs/dbraw/zinc/03/09/82/212030982.db2.gz RLMPUERDOFFSOF-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN COc1cc(/C=C/C(=O)NCc2ccccc2)cc(Cl)c1OC ZINC000016025321 211877074 /nfs/dbraw/zinc/87/70/74/211877074.db2.gz IHCHETLGOVALPZ-CMDGGOBGSA-N 0 0 331.799 3.687 10 0 EHAERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nsc2ccccc21 ZINC000095075478 218272631 /nfs/dbraw/zinc/27/26/31/218272631.db2.gz DQPHTTQUCLIEOE-ZDUSSCGKSA-N 0 0 347.484 3.990 10 0 EHAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)c1cccs1 ZINC000095074943 218272825 /nfs/dbraw/zinc/27/28/25/218272825.db2.gz HUVWNUSKXHEYLV-CYBMUJFWSA-N 0 0 338.473 3.610 10 0 EHAERN Cc1cc(C)nc(OCCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095089868 218279550 /nfs/dbraw/zinc/27/95/50/218279550.db2.gz WVPOCADVBMMPKO-MRXNPFEDSA-N 0 0 349.475 3.900 10 0 EHAERN CC(C)(O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000008785983 211008228 /nfs/dbraw/zinc/00/82/28/211008228.db2.gz NRYXVVSOJCLVSW-UHFFFAOYSA-N 0 0 330.815 3.996 10 0 EHAERN CC(=O)CSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000005237800 210419755 /nfs/dbraw/zinc/41/97/55/210419755.db2.gz ALQVOVBCMJMJCH-UHFFFAOYSA-N 0 0 330.434 3.641 10 0 EHAERN COc1ccc2cc(-c3cccc(N)c3)cc(CCNC(C)=O)c2c1 ZINC000000023738 208551112 /nfs/dbraw/zinc/55/11/12/208551112.db2.gz RUYDBTKHRKQOLY-UHFFFAOYSA-N 0 0 334.419 3.776 10 0 in-vitro EHAERN COCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)C1CC1 ZINC000004880975 210311478 /nfs/dbraw/zinc/31/14/78/210311478.db2.gz FGKUNHULIAFUOI-UHFFFAOYSA-N 0 0 346.858 3.890 10 0 EHAERN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 ZINC000121893824 221964601 /nfs/dbraw/zinc/96/46/01/221964601.db2.gz VHXNQOJNNSKRGR-OLZOCXBDSA-N 0 0 346.814 3.813 10 0 EHAERN Cc1cc(OCC2N=NC(=S)N2)c(C(C)C)cc1Br ZINC000026473660 525376058 /nfs/dbraw/zinc/37/60/58/525376058.db2.gz WVMYMGIWCVHUCQ-UHFFFAOYSA-N 0 0 342.262 3.867 10 0 EHAERN CN1c2cc(Cl)ccc2OC[C@H]1CC(=O)NC1CCCCCC1 ZINC000064663650 563662307 /nfs/dbraw/zinc/66/23/07/563662307.db2.gz BFTNAYCHPNZXKZ-OAHLLOKOSA-N 0 0 336.863 3.766 10 0 EHAERN CCCCNC(=O)C1(c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000046141246 563929460 /nfs/dbraw/zinc/92/94/60/563929460.db2.gz OEWDJLSTRCHTMI-UHFFFAOYSA-N 0 0 342.464 3.948 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000583621254 564018102 /nfs/dbraw/zinc/01/81/02/564018102.db2.gz FGDGDFZERGBEAJ-PBHICJAKSA-N 0 0 349.352 3.638 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000583615474 564018138 /nfs/dbraw/zinc/01/81/38/564018138.db2.gz GYIBONSMGSTHAM-OSAQELSMSA-N 0 0 329.375 3.585 10 0 EHAERN CCC(CC)C(=O)NCc1nc2cccnc2n1Cc1ccccc1 ZINC000046916157 564025593 /nfs/dbraw/zinc/02/55/93/564025593.db2.gz UEKRUPUBYHBZFL-UHFFFAOYSA-N 0 0 336.439 3.532 10 0 EHAERN CC[C@H]1CN(CC(=O)NCc2ccc(F)cc2)c2ccccc2S1 ZINC000015865199 564077163 /nfs/dbraw/zinc/07/71/63/564077163.db2.gz XPRHBFOGJVTBTF-INIZCTEOSA-N 0 0 344.455 3.833 10 0 EHAERN Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)CC[C@H]2C)cc1 ZINC000039931101 564129206 /nfs/dbraw/zinc/12/92/06/564129206.db2.gz RHHILGKMDCRNLT-CQSZACIVSA-N 0 0 329.421 3.555 10 0 EHAERN C[C@@H](NC(=O)OC(C)(C)C)C1CCC(C(=O)Nc2ccncc2)CC1 ZINC000065734911 564134399 /nfs/dbraw/zinc/13/43/99/564134399.db2.gz YHCODQSFLBHLDV-WLYUNCDWSA-N 0 0 347.459 3.740 10 0 in-vitro EHAERN COc1ccsc1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21 ZINC000328638403 564137121 /nfs/dbraw/zinc/13/71/21/564137121.db2.gz WIQAUKYCIDMELL-LLVKDONJSA-N 0 0 336.482 3.714 10 0 EHAERN C[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000689089449 976216254 /nfs/dbraw/zinc/21/62/54/976216254.db2.gz QYTJVWUCAVHEEF-OAHLLOKOSA-N 0 0 344.480 3.543 10 0 EHAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CCCC3(CC3)C2)c(Br)c1 ZINC000695650691 976798445 /nfs/dbraw/zinc/79/84/45/976798445.db2.gz OONMKCTZBBBBBH-CYBMUJFWSA-N 0 0 338.245 3.960 10 0 EHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000177988461 1016510723 /nfs/dbraw/zinc/51/07/23/1016510723.db2.gz AZZOBGAYJNFDKX-IFXJQAMLSA-N 0 0 344.842 3.655 10 0 EHAERN COC(=O)c1c(NC(=O)N2C[C@H]3CCC[C@H]32)sc2c1CCCCC2 ZINC000407967050 1016542384 /nfs/dbraw/zinc/54/23/84/1016542384.db2.gz BTVMPOYCZUVYFT-DGCLKSJQSA-N 0 0 348.468 3.820 10 0 EHAERN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180383609 1016892793 /nfs/dbraw/zinc/89/27/93/1016892793.db2.gz DKXMHLLKNBRDOC-GLZXHMCRSA-N 0 0 338.398 3.673 10 0 EHAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000138869219 1017008317 /nfs/dbraw/zinc/00/83/17/1017008317.db2.gz PACKVXWFFCXPAR-SQNIBIBYSA-N 0 0 346.519 3.599 10 0 EHAERN O=C(NCCc1cccs1)N1CCC(Nc2ccccc2F)CC1 ZINC000080581712 1032155973 /nfs/dbraw/zinc/15/59/73/1032155973.db2.gz YJRXAHHSVLNYCW-UHFFFAOYSA-N 0 0 347.459 3.716 10 0 EHAERN CC(C)(CNC(=O)[C@H]1CCCn2ccnc21)c1cccc(Cl)c1 ZINC000080610253 1032217133 /nfs/dbraw/zinc/21/71/33/1032217133.db2.gz QMYGYTCHDGLNOZ-HNNXBMFYSA-N 0 0 331.847 3.508 10 0 EHAERN CC(C)(C)c1nc(CN2CCCN(c3ccccn3)CC2)cs1 ZINC000183811245 1032229378 /nfs/dbraw/zinc/22/93/78/1032229378.db2.gz QUBJUVXHEGWZMF-UHFFFAOYSA-N 0 0 330.501 3.548 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000118664731 1032314877 /nfs/dbraw/zinc/31/48/77/1032314877.db2.gz DZENADRTUNEFBE-RPCCPQHDSA-N 0 0 344.480 3.669 10 0 EHAERN Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000332865063 1017273914 /nfs/dbraw/zinc/27/39/14/1017273914.db2.gz KACOTRQKSXEXBH-KBAYOESNSA-N 0 0 344.503 3.668 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc1 ZINC000185546266 1032439624 /nfs/dbraw/zinc/43/96/24/1032439624.db2.gz WELWVTOTVTYMGV-UHFFFAOYSA-N 0 0 347.365 3.744 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H](C)c3cccs3)C2)c1 ZINC000081640522 1032615178 /nfs/dbraw/zinc/61/51/78/1032615178.db2.gz DQZUPQCRQQVHGG-KBPBESRZSA-N 0 0 345.464 3.885 10 0 EHAERN O=C(c1ocnc1C1CC1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000377528011 1017945318 /nfs/dbraw/zinc/94/53/18/1017945318.db2.gz MAZHMFSHCDMZCM-HNNXBMFYSA-N 0 0 344.386 3.513 10 0 EHAERN Cc1nc(CC(C)C)oc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000408057692 1018523245 /nfs/dbraw/zinc/52/32/45/1018523245.db2.gz YIHFVRYTYKNFEO-YRNRMSPPSA-N 0 0 348.487 3.727 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000119238624 1032770393 /nfs/dbraw/zinc/77/03/93/1032770393.db2.gz ZCKIDMUOTBIOPF-IAGOWNOFSA-N 0 0 342.418 3.863 10 0 EHAERN O=C(NC1CCC(F)(F)CC1)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333222892 1018888312 /nfs/dbraw/zinc/88/83/12/1018888312.db2.gz WKMQMXDEGKLWNJ-QWHCGFSZSA-N 0 0 344.427 3.845 10 0 EHAERN O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N[C@H]1CCCC[C@H]1O ZINC000333264420 1018988119 /nfs/dbraw/zinc/98/81/19/1018988119.db2.gz CXCLERZQLQSVMH-PQEBFOHHSA-N 0 0 336.863 3.579 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nc(-c3ccsc3)oc2C)no1 ZINC000328742916 1019534544 /nfs/dbraw/zinc/53/45/44/1019534544.db2.gz JTBGJRQKIZMTRR-AWEZNQCLSA-N 0 0 330.413 3.740 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1cncc(Cl)c1Cl ZINC000588395133 1020252961 /nfs/dbraw/zinc/25/29/61/1020252961.db2.gz AVGKGNQVHXNTIO-WAYWQWQTSA-N 0 0 347.198 3.940 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)N[C@H]1CCCOc2c(F)cccc21 ZINC000588395608 1020284621 /nfs/dbraw/zinc/28/46/21/1020284621.db2.gz NOMPPOIJCHIXDK-XHPSBEMXSA-N 0 0 346.789 3.917 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000246489965 1021128140 /nfs/dbraw/zinc/12/81/40/1021128140.db2.gz IFVSGFBEJSJUFZ-WCVJEAGWSA-N 0 0 345.491 3.599 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000246492755 1021130145 /nfs/dbraw/zinc/13/01/45/1021130145.db2.gz PJRTVFQHRBDMFG-QIIPPGSGSA-N 0 0 341.455 3.764 10 0 EHAERN O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000366671099 1021888133 /nfs/dbraw/zinc/88/81/33/1021888133.db2.gz QBAFOLCHRSNVDG-ZIAGYGMSSA-N 0 0 337.398 3.697 10 0 EHAERN C[C@H]1CC(C(=O)Nc2cc3c(cc2Cl)OCCCO3)C[C@H](C)O1 ZINC000093909809 1021997626 /nfs/dbraw/zinc/99/76/26/1021997626.db2.gz YWBAULMRENYWRG-QWRGUYRKSA-N 0 0 339.819 3.643 10 0 EHAERN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120129500 1022391538 /nfs/dbraw/zinc/39/15/38/1022391538.db2.gz GQTQLOLQGQCFSE-NHYWBVRUSA-N 0 0 333.819 3.815 10 0 EHAERN O=C(c1c(Cl)cccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127816939 1022400976 /nfs/dbraw/zinc/40/09/76/1022400976.db2.gz CSDXLINUXOHDDW-BDJLRTHQSA-N 0 0 328.239 3.761 10 0 EHAERN C[C@H](OC(=O)/C=C\c1ccncn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000588440974 1022459754 /nfs/dbraw/zinc/45/97/54/1022459754.db2.gz QLRDWBYSFQACEF-ATPLWMGHSA-N 0 0 340.276 3.952 10 0 EHAERN COc1ccc(/C=C(/C)C(=O)NCc2ccc(Cl)cn2)cc1F ZINC000588441353 1022463211 /nfs/dbraw/zinc/46/32/11/1022463211.db2.gz OWBWBHWCKXDXKJ-XFFZJAGNSA-N 0 0 334.778 3.602 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)C[C@H](C)Cc2cccc(F)c2)[nH]1 ZINC000328750861 1022480902 /nfs/dbraw/zinc/48/09/02/1022480902.db2.gz RHSVKOQBRRGNMC-DYVFJYSZSA-N 0 0 344.434 3.575 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC000328733257 1022490926 /nfs/dbraw/zinc/49/09/26/1022490926.db2.gz JLTXKHVDZZKGBA-HZMVEIRTSA-N 0 0 330.476 3.773 10 0 EHAERN O=S(=O)(N[C@H](c1ccco1)c1ccccc1)c1cccc(F)c1F ZINC000101569549 1022528232 /nfs/dbraw/zinc/52/82/32/1022528232.db2.gz CYZHLQUAPNXYPY-KRWDZBQOSA-N 0 0 349.358 3.626 10 0 EHAERN CN(CCc1cccc2ccccc21)C(=O)NCc1cscn1 ZINC000101609274 1022572127 /nfs/dbraw/zinc/57/21/27/1022572127.db2.gz RRQBTSGFQMSUCS-UHFFFAOYSA-N 0 0 325.437 3.680 10 0 EHAERN C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)C1(C)C ZINC000333728721 1022877516 /nfs/dbraw/zinc/87/75/16/1022877516.db2.gz JLFGPWASXCOQIN-FORWCCJISA-N 0 0 330.472 3.880 10 0 EHAERN Cc1cc(NC(=O)/C=C\c2ncccc2C)n(-c2ccccc2F)n1 ZINC000588452029 1023022068 /nfs/dbraw/zinc/02/20/68/1023022068.db2.gz ONJDJOMXKUWEEO-KTKRTIGZSA-N 0 0 336.370 3.675 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(Br)c(F)c1 ZINC000588452479 1023023886 /nfs/dbraw/zinc/02/38/86/1023023886.db2.gz YVJSZRHBLVSKOO-SREVYHEPSA-N 0 0 349.203 3.621 10 0 EHAERN COc1cc(NC(=O)/C=C\c2ncccc2C)ccc1Br ZINC000588453482 1023039465 /nfs/dbraw/zinc/03/94/65/1023039465.db2.gz KQWAWJCBQHFZHN-FPLPWBNLSA-N 0 0 347.212 3.813 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000588453627 1023040879 /nfs/dbraw/zinc/04/08/79/1023040879.db2.gz CFAFVJMJNBVNHD-CFYYFVFUSA-N 0 0 330.815 3.640 10 0 EHAERN Clc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000333744770 1023189841 /nfs/dbraw/zinc/18/98/41/1023189841.db2.gz YDDFBGJAZDTXDG-JONQDZQNSA-N 0 0 345.830 3.530 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000190438379 1023286723 /nfs/dbraw/zinc/28/67/23/1023286723.db2.gz APENYTZSNGTRRC-GJZGRUSLSA-N 0 0 341.459 3.557 10 0 EHAERN CCOc1ccc(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cn1 ZINC000119547535 1033121528 /nfs/dbraw/zinc/12/15/28/1033121528.db2.gz GORHDNBUZWKUNM-WFASDCNBSA-N 0 0 347.440 3.536 10 0 EHAERN Cc1ccc(/C=C\CC(=O)Nc2ccc(F)cc2C(=O)N(C)C)cc1 ZINC000588474882 1023782828 /nfs/dbraw/zinc/78/28/28/1023782828.db2.gz ARFAQMCYTFSQLT-PLNGDYQASA-N 0 0 340.398 3.878 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113886104 1024027256 /nfs/dbraw/zinc/02/72/56/1024027256.db2.gz LIVPQBBTFNMIPP-BBVFFXRHSA-N 0 0 332.407 3.725 10 0 EHAERN CC[C@@H](C)OCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000151289739 1024086058 /nfs/dbraw/zinc/08/60/58/1024086058.db2.gz HEYFULJUYSKHJB-NVXWUHKLSA-N 0 0 341.455 3.598 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)sc1C ZINC000329745091 1024173800 /nfs/dbraw/zinc/17/38/00/1024173800.db2.gz RAZFUMMQDTYBEA-AWEZNQCLSA-N 0 0 347.488 3.949 10 0 EHAERN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@H](n3cccn3)C2)n1 ZINC000329819109 1024208394 /nfs/dbraw/zinc/20/83/94/1024208394.db2.gz XPMPWIRDBAWFFF-CVEARBPZSA-N 0 0 337.427 3.640 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC(C)(C)C1 ZINC000329861876 1024227144 /nfs/dbraw/zinc/22/71/44/1024227144.db2.gz QOVDZASBBPGDNS-RBSFLKMASA-N 0 0 333.476 3.715 10 0 EHAERN COc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)ccc1Cl ZINC000194403152 1024410511 /nfs/dbraw/zinc/41/05/11/1024410511.db2.gz KOYYORFZPGEMRQ-CABCVRRESA-N 0 0 348.834 3.851 10 0 EHAERN CSc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000280995896 1024505973 /nfs/dbraw/zinc/50/59/73/1024505973.db2.gz AUEBIBLJXQKOBN-ALKREAHSSA-N 0 0 348.512 3.806 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccccc1COC ZINC000104999310 1024870705 /nfs/dbraw/zinc/87/07/05/1024870705.db2.gz VVRNMBZAZSSFJT-UHFFFAOYSA-N 0 0 327.428 3.715 10 0 EHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000330360608 1025155296 /nfs/dbraw/zinc/15/52/96/1025155296.db2.gz XIZXGXVEUSCMGR-RBSFLKMASA-N 0 0 349.475 3.555 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000152236191 1025410607 /nfs/dbraw/zinc/41/06/07/1025410607.db2.gz LLOXSDLJQDBYBX-QGZVFWFLSA-N 0 0 331.504 3.808 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)CCO2)o1 ZINC000121572897 1025509846 /nfs/dbraw/zinc/50/98/46/1025509846.db2.gz CBKZCQUAMSDFTF-KBXCAEBGSA-N 0 0 346.402 3.880 10 0 EHAERN O=C(Cc1cccc(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102914992 1025556083 /nfs/dbraw/zinc/55/60/83/1025556083.db2.gz KGZFLWCPVIZWMQ-INIZCTEOSA-N 0 0 343.810 3.975 10 0 EHAERN CC(C)CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113575327 1025648132 /nfs/dbraw/zinc/64/81/32/1025648132.db2.gz CEKUCJGTXKPJED-INIZCTEOSA-N 0 0 326.444 3.622 10 0 EHAERN C[C@@H]1CCC[C@H]1c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000329330175 1025758958 /nfs/dbraw/zinc/75/89/58/1025758958.db2.gz LNYKVDSTERLYFQ-DJIMGWMZSA-N 0 0 327.428 3.547 10 0 EHAERN CCc1nccn1[C@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000247379969 1025853983 /nfs/dbraw/zinc/85/39/83/1025853983.db2.gz VUFIHQFLRQKLAZ-KGLIPLIRSA-N 0 0 331.464 3.524 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@@H](C)C1 ZINC000333696806 1025974280 /nfs/dbraw/zinc/97/42/80/1025974280.db2.gz RBOIJUDXQMPKJJ-STQMWFEESA-N 0 0 337.489 3.937 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc4c(c3)OCO4)c21 ZINC000103176087 1026054332 /nfs/dbraw/zinc/05/43/32/1026054332.db2.gz ZMYZNRXMBNHUAI-UHFFFAOYSA-N 0 0 337.379 3.569 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000103863089 1026132153 /nfs/dbraw/zinc/13/21/53/1026132153.db2.gz KKZZGKFKZLMLGB-SFHVURJKSA-N 0 0 342.414 3.706 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000047923786 1026214697 /nfs/dbraw/zinc/21/46/97/1026214697.db2.gz JEORBDYABJNVTG-HZPDHXFCSA-N 0 0 346.814 3.779 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000104461131 1026257468 /nfs/dbraw/zinc/25/74/68/1026257468.db2.gz UAMNCFIKFDSSTR-UHFFFAOYSA-N 0 0 340.398 3.559 10 0 EHAERN C[C@@H]1CN(C(=O)c2cccc(NC(=O)NC3CC3)c2)[C@H]2CCCC[C@@H]12 ZINC000248385144 1026260520 /nfs/dbraw/zinc/26/05/20/1026260520.db2.gz HJHVFQCXGVPFTA-BVGQSLNGSA-N 0 0 341.455 3.621 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3C)CC2)nc1 ZINC000122188088 1026263890 /nfs/dbraw/zinc/26/38/90/1026263890.db2.gz SPPKVFIJTUBLNH-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccccc3OC)C2)cc1 ZINC000122377973 1026423915 /nfs/dbraw/zinc/42/39/15/1026423915.db2.gz IRTQMJSTRWSVFL-GDBMZVCRSA-N 0 0 325.408 3.722 10 0 EHAERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000301387773 1026788500 /nfs/dbraw/zinc/78/85/00/1026788500.db2.gz WWJTXXFQCRRQKM-ZDUSSCGKSA-N 0 0 339.365 3.689 10 0 EHAERN CCOc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000152897163 1026799154 /nfs/dbraw/zinc/79/91/54/1026799154.db2.gz GOJSWBCKJKWGJE-QGZVFWFLSA-N 0 0 330.384 3.592 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(Cl)cc3F)CCO2)o1 ZINC000152963695 1026894698 /nfs/dbraw/zinc/89/46/98/1026894698.db2.gz VHEXBFWRXOGMHN-OAHLLOKOSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)nc21 ZINC000153022291 1026941223 /nfs/dbraw/zinc/94/12/23/1026941223.db2.gz IPBYACGVSBESAH-FVJLSDCUSA-N 0 0 345.446 3.506 10 0 EHAERN CN(c1nnc(Cc2ccc(F)cc2)s1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000302107143 1027055675 /nfs/dbraw/zinc/05/56/75/1027055675.db2.gz OCEFYQUNCHFZRI-BMFZPTHFSA-N 0 0 347.459 3.518 10 0 EHAERN C[C@@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C[C@H]1n1ccnc1 ZINC000126272461 1027182018 /nfs/dbraw/zinc/18/20/18/1027182018.db2.gz UNZJRPNPTGNKBR-XANICSHESA-N 0 0 346.434 3.554 10 0 EHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(Br)n1 ZINC000128258583 1027412937 /nfs/dbraw/zinc/41/29/37/1027412937.db2.gz NTKZWOOVHWYIRU-YGRLFVJLSA-N 0 0 347.212 3.656 10 0 EHAERN COc1ccc(C[C@H](C)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000128613129 1027456964 /nfs/dbraw/zinc/45/69/64/1027456964.db2.gz OULJNYYESYXUOE-HOCLYGCPSA-N 0 0 344.480 3.737 10 0 EHAERN COc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000128613772 1027458488 /nfs/dbraw/zinc/45/84/88/1027458488.db2.gz OULJNYYESYXUOE-GDBMZVCRSA-N 0 0 344.480 3.737 10 0 EHAERN CSc1nsc(NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000129739322 1027596450 /nfs/dbraw/zinc/59/64/50/1027596450.db2.gz ABLJEMGCRFMBET-UHFFFAOYSA-N 0 0 338.483 3.643 10 0 EHAERN COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000130229830 1027649584 /nfs/dbraw/zinc/64/95/84/1027649584.db2.gz FURORXJVBWINDD-IPSUAGGGSA-N 0 0 333.431 3.639 10 0 EHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(Cl)cc2c1OCOC2 ZINC000130698274 1027694898 /nfs/dbraw/zinc/69/48/98/1027694898.db2.gz AOKPRACTHNSBDD-MRXNPFEDSA-N 0 0 347.846 3.884 10 0 EHAERN COc1cc(F)ccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000130915381 1027715237 /nfs/dbraw/zinc/71/52/37/1027715237.db2.gz WFHPCJZIHKAVEJ-UHFFFAOYSA-N 0 0 349.431 3.686 10 0 EHAERN Cc1nc(COc2ccc(N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)no1 ZINC000246216127 1027984908 /nfs/dbraw/zinc/98/49/08/1027984908.db2.gz XYUXTPKMKAIHSI-CGTJXYLNSA-N 0 0 343.427 3.573 10 0 EHAERN Cc1cc2c(cc1NC(=O)N1C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C1)OCO2 ZINC000333578458 1027993169 /nfs/dbraw/zinc/99/31/69/1027993169.db2.gz ZICUJYCRAQHBCT-BZIRYSOJSA-N 0 0 328.412 3.624 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246248809 1028072264 /nfs/dbraw/zinc/07/22/64/1028072264.db2.gz IZWURHUDOVAFPB-JENIJYKNSA-N 0 0 348.531 3.985 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@H](C)c3ccccc3C)CCO2)o1 ZINC000133841028 1028074097 /nfs/dbraw/zinc/07/40/97/1028074097.db2.gz ASZLOPXKRMOZLS-HNAYVOBHSA-N 0 0 327.424 3.990 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4c(s3)CCCC4)CCO2)o1 ZINC000133972864 1028083321 /nfs/dbraw/zinc/08/33/21/1028083321.db2.gz GZMPDAFFKPAENS-OAHLLOKOSA-N 0 0 331.437 3.742 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3Cl)CCO2)o1 ZINC000134179795 1028099552 /nfs/dbraw/zinc/09/95/52/1028099552.db2.gz BSWMLDBSFZILTP-INIZCTEOSA-N 0 0 337.778 3.523 10 0 EHAERN CCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000153533294 1028104454 /nfs/dbraw/zinc/10/44/54/1028104454.db2.gz HNMNKYKDEAOOCL-QGZVFWFLSA-N 0 0 348.374 3.731 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3cc(C)c(F)c(C)c3)CC2)n1 ZINC000134702759 1028143392 /nfs/dbraw/zinc/14/33/92/1028143392.db2.gz KSROGGXGQXMYDL-UHFFFAOYSA-N 0 0 341.430 3.545 10 0 EHAERN CC(C)C[C@@H](CCO)CNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000135351152 1028184390 /nfs/dbraw/zinc/18/43/90/1028184390.db2.gz NEUCPPGOAJXCJN-MRXNPFEDSA-N 0 0 348.462 3.669 10 0 EHAERN CC(C)COc1ncccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067047411 1028351689 /nfs/dbraw/zinc/35/16/89/1028351689.db2.gz CIZXCAMGNPQXED-CQSZACIVSA-N 0 0 345.468 3.593 10 0 EHAERN O=C(c1cc(F)c(F)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047985 1028354498 /nfs/dbraw/zinc/35/44/98/1028354498.db2.gz CWYLGAONQYUTBQ-SECBINFHSA-N 0 0 326.343 3.580 10 0 EHAERN Cc1nnc([C@H](NC(=O)CCCc2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000057890754 1028377074 /nfs/dbraw/zinc/37/70/74/1028377074.db2.gz FIBRFHAQEBYYSR-HXUWFJFHSA-N 0 0 348.450 3.650 10 0 EHAERN CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@H]1O ZINC000408254048 1028457013 /nfs/dbraw/zinc/45/70/13/1028457013.db2.gz BOCDJEYUWOKPGC-JOYOIKCWSA-N 0 0 346.258 3.649 10 0 EHAERN O=C([C@@H]1CCCc2cccnc21)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000194892224 1028557841 /nfs/dbraw/zinc/55/78/41/1028557841.db2.gz QPTZXTFRCAMJJY-GDBMZVCRSA-N 0 0 332.403 3.608 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C[C@H](O)c2ccccc2Cl)no1 ZINC000195373491 1028599462 /nfs/dbraw/zinc/59/94/62/1028599462.db2.gz SFVOEQAMLIJDOS-GJZGRUSLSA-N 0 0 335.835 3.717 10 0 EHAERN Cc1cc(C)cc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195351789 1028635860 /nfs/dbraw/zinc/63/58/60/1028635860.db2.gz MLXBFQUCKHXDAU-HNNXBMFYSA-N 0 0 329.469 3.578 10 0 EHAERN C[C@H]1CN(Cc2nc3ccccc3n2C)C[C@@H](c2ccsc2)O1 ZINC000246573690 1028663400 /nfs/dbraw/zinc/66/34/00/1028663400.db2.gz SAADXHDHMJHYJV-GUYCJALGSA-N 0 0 327.453 3.597 10 0 EHAERN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000246653827 1028673177 /nfs/dbraw/zinc/67/31/77/1028673177.db2.gz GALPITDZKBKLMQ-CKFHNAJUSA-N 0 0 349.434 3.798 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246764807 1028689911 /nfs/dbraw/zinc/68/99/11/1028689911.db2.gz UHKABNOAZLUASI-FJJYHAOUSA-N 0 0 327.346 3.788 10 0 EHAERN CCO[C@H](C)c1nc(CN2CCO[C@@H](c3ccc(C)o3)C2)cs1 ZINC000246778078 1028690076 /nfs/dbraw/zinc/69/00/76/1028690076.db2.gz PEPBVDLCZXFCGO-CZUORRHYSA-N 0 0 336.457 3.716 10 0 EHAERN CC(=O)N(c1nc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cs1)C1CC1 ZINC000245415827 1028705172 /nfs/dbraw/zinc/70/51/72/1028705172.db2.gz DOLNMOAIPSDTJA-FZKQIMNGSA-N 0 0 341.480 3.851 10 0 EHAERN Cc1ccc(C)c([C@H]2CN(Cc3ncnn3CC(C)C)[C@@H](C)CO2)c1 ZINC000245530220 1028771976 /nfs/dbraw/zinc/77/19/76/1028771976.db2.gz SGEOHIOICJMLPU-PKOBYXMFSA-N 0 0 342.487 3.513 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@H](C)c3ccncc3)C2)cc1 ZINC000247446025 1028789124 /nfs/dbraw/zinc/78/91/24/1028789124.db2.gz YILBXHRQRXOHHR-HDMKZQKVSA-N 0 0 339.439 3.739 10 0 EHAERN CCC(=O)Nc1ccc(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000247517387 1028798524 /nfs/dbraw/zinc/79/85/24/1028798524.db2.gz NSAOUMVQFSOHGD-QWFCFKBJSA-N 0 0 349.434 3.743 10 0 EHAERN Cc1cc2occ(CC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2cc1C ZINC000247648431 1028807416 /nfs/dbraw/zinc/80/74/16/1028807416.db2.gz WHRAAXMKDIERQG-JQHSSLGASA-N 0 0 327.424 3.666 10 0 EHAERN O[C@@H](C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1Cl ZINC000248431781 1028899537 /nfs/dbraw/zinc/89/95/37/1028899537.db2.gz YCDZBSSUVCNCMK-ABAIWWIYSA-N 0 0 340.851 3.849 10 0 EHAERN C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)c2ccccc2NC1=O ZINC000248591251 1028921738 /nfs/dbraw/zinc/92/17/38/1028921738.db2.gz ZPMNZKSOIUQHJT-PIGZYNQJSA-N 0 0 348.805 3.607 10 0 EHAERN Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCCc4cccnc43)C2)cc1 ZINC000248858876 1028958165 /nfs/dbraw/zinc/95/81/65/1028958165.db2.gz LSCYNJBTJLNUMW-QUCCMNQESA-N 0 0 349.478 3.595 10 0 EHAERN Cc1cc(C)cc([C@H](C)NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000246756069 1028999753 /nfs/dbraw/zinc/99/97/53/1028999753.db2.gz PWTMNSOSZXMUBK-IEZWGBDMSA-N 0 0 348.512 3.718 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(F)c(F)c(F)c3)CCO2)o1 ZINC000154221022 1029065508 /nfs/dbraw/zinc/06/55/08/1029065508.db2.gz KUOZEYMOCRMEHP-AWEZNQCLSA-N 0 0 340.301 3.611 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000251885031 1029164870 /nfs/dbraw/zinc/16/48/70/1029164870.db2.gz PYBMGEJWVGFCED-XIRDDKMYSA-N 0 0 326.444 3.535 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CC=C(c2cccs2)CC1 ZINC000245733171 1029192200 /nfs/dbraw/zinc/19/22/00/1029192200.db2.gz AZTCUKRFEPSKCS-USXIJHARSA-N 0 0 344.480 3.504 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(F)cc(Cl)c3)CCO2)o1 ZINC000154592548 1029233624 /nfs/dbraw/zinc/23/36/24/1029233624.db2.gz NBBGRCXWQRBTAL-OAHLLOKOSA-N 0 0 338.766 3.986 10 0 EHAERN CN(C(=O)/C=C/c1cccc2cccnc12)[C@H]1CCCc2c1cnn2C ZINC000154565010 1029238558 /nfs/dbraw/zinc/23/85/58/1029238558.db2.gz IKCBJVJQZIFHCG-DXRVJIQQSA-N 0 0 346.434 3.518 10 0 EHAERN C[C@@H]1COCCN1c1ccc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246079777 1029634583 /nfs/dbraw/zinc/63/45/83/1029634583.db2.gz GRJSTUURJHGJPR-UTRMSSBJSA-N 0 0 330.472 3.527 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1CCN(c2cccs2)CC1 ZINC000156105342 1029749683 /nfs/dbraw/zinc/74/96/83/1029749683.db2.gz NJYMRHNTJYCMNY-ROUUACIJSA-N 0 0 340.492 3.945 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)CC2)n1 ZINC000156327974 1029815028 /nfs/dbraw/zinc/81/50/28/1029815028.db2.gz NPYGAWNLUMYYHK-RTBURBONSA-N 0 0 341.499 3.691 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c(Cl)c1 ZINC000156428724 1029835392 /nfs/dbraw/zinc/83/53/92/1029835392.db2.gz CJWHXFBIINSWAP-UHFFFAOYSA-N 0 0 346.862 3.869 10 0 EHAERN Cc1csc(C2CCN(Cc3nc(-c4cccs4)no3)CC2)n1 ZINC000156664595 1029927306 /nfs/dbraw/zinc/92/73/06/1029927306.db2.gz KBDTXBVUFVAXGL-UHFFFAOYSA-N 0 0 346.481 3.943 10 0 EHAERN CC1(C)CCC(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000089837549 1030010359 /nfs/dbraw/zinc/01/03/59/1030010359.db2.gz LHHRDLOGQLCOIT-MRXNPFEDSA-N 0 0 346.496 3.822 10 0 EHAERN O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CC=C(c2ccccc2)CC1 ZINC000156797778 1030025557 /nfs/dbraw/zinc/02/55/57/1030025557.db2.gz JXNPTOHMFTYIGF-LJQANCHMSA-N 0 0 340.467 3.977 10 0 EHAERN COc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202602 1030089452 /nfs/dbraw/zinc/08/94/52/1030089452.db2.gz HRXLKINGHKVEEX-MRXNPFEDSA-N 0 0 329.787 3.611 10 0 EHAERN CCCc1cc(NC(=O)N2CC=C(c3cccs3)CC2)n(C)n1 ZINC000091093098 1030227355 /nfs/dbraw/zinc/22/73/55/1030227355.db2.gz GLMZZJZQWQRVFV-UHFFFAOYSA-N 0 0 330.457 3.755 10 0 EHAERN c1coc([C@H]2CN(Cc3cccn3Cc3cccs3)CCO2)c1 ZINC000093841201 1030680165 /nfs/dbraw/zinc/68/01/65/1030680165.db2.gz GWXPEICFSCELTQ-GOSISDBHSA-N 0 0 328.437 3.764 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3c(Cl)n(C)nc3C(C)C)CCO2)o1 ZINC000093864916 1030686001 /nfs/dbraw/zinc/68/60/01/1030686001.db2.gz RFASDPKIZYLNBC-OAHLLOKOSA-N 0 0 337.851 3.672 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cn(C)c4ccccc34)CC2)n1 ZINC000171221837 1030747738 /nfs/dbraw/zinc/74/77/38/1030747738.db2.gz QSBKMBDLKPPTGJ-UHFFFAOYSA-N 0 0 339.464 3.963 10 0 EHAERN CCCc1nc(C)c(C(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000171641786 1030769417 /nfs/dbraw/zinc/76/94/17/1030769417.db2.gz BMDCLRNPIUGILA-LBPRGKRZSA-N 0 0 335.498 3.880 10 0 EHAERN Cc1ccc(OCC(=O)N2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000171643840 1030770366 /nfs/dbraw/zinc/77/03/66/1030770366.db2.gz BSNBKNSEBKXKTN-HNNXBMFYSA-N 0 0 330.453 3.545 10 0 EHAERN O=C(CCCOc1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000171645891 1030771259 /nfs/dbraw/zinc/77/12/59/1030771259.db2.gz JVWLUTNHXHCIAA-HNNXBMFYSA-N 0 0 330.453 3.708 10 0 EHAERN O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC(Cc2ccccn2)CC1 ZINC000171610621 1030800734 /nfs/dbraw/zinc/80/07/34/1030800734.db2.gz QAKFZNKDZBLJBI-FNORWQNLSA-N 0 0 348.446 3.511 10 0 EHAERN O=C(c1coc(-c2ccccc2)n1)N1CCC[C@@H](c2nccs2)C1 ZINC000172348177 1030867227 /nfs/dbraw/zinc/86/72/27/1030867227.db2.gz UCJJIXKTXNTAJN-CQSZACIVSA-N 0 0 339.420 3.818 10 0 EHAERN CC(C)c1cnc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)s1 ZINC000172741253 1030990734 /nfs/dbraw/zinc/99/07/34/1030990734.db2.gz JYPLVEHGKTXORJ-LBPRGKRZSA-N 0 0 347.465 3.708 10 0 EHAERN Cc1nnc([C@@H](NC(=O)C2CCCCCCC2)c2ccccc2)[nH]1 ZINC000172896265 1031026705 /nfs/dbraw/zinc/02/67/05/1031026705.db2.gz SWIJAYPAHPYHQD-KRWDZBQOSA-N 0 0 326.444 3.679 10 0 EHAERN O=C(c1cc2cc(F)ccc2oc1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000172909787 1031030249 /nfs/dbraw/zinc/03/02/49/1031030249.db2.gz VZAYSFUPOJLJPI-CQSZACIVSA-N 0 0 337.350 3.562 10 0 EHAERN C[C@@H]1CN(C(=O)NCC[C@@H]2c3ccccc3NC2=O)[C@@H]1c1ccccc1 ZINC000173459918 1031094154 /nfs/dbraw/zinc/09/41/54/1031094154.db2.gz GKRLJLILOOOVBY-BJZITVGISA-N 0 0 349.434 3.515 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)c1cccs1 ZINC000247585567 1031149449 /nfs/dbraw/zinc/14/94/49/1031149449.db2.gz MEGSPDCIYANBRU-KKUMJFAQSA-N 0 0 332.473 3.688 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)s1 ZINC000174920597 1031258170 /nfs/dbraw/zinc/25/81/70/1031258170.db2.gz YNXGTDSZYPJAEN-CQSZACIVSA-N 0 0 344.484 3.572 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccncc1 ZINC000174815059 1031258313 /nfs/dbraw/zinc/25/83/13/1031258313.db2.gz JYQXOSKLUNOLGE-CVEARBPZSA-N 0 0 341.480 3.966 10 0 EHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)CC(C)C ZINC000175914974 1031368125 /nfs/dbraw/zinc/36/81/25/1031368125.db2.gz JDLWFSMTWOMVDV-INIZCTEOSA-N 0 0 334.508 3.956 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C)nc3c2cnn3C)o1 ZINC000175777927 1031378573 /nfs/dbraw/zinc/37/85/73/1031378573.db2.gz VXUPYNQMUMHBFI-INIZCTEOSA-N 0 0 338.411 3.546 10 0 EHAERN CC[C@@H](C)CN(CC)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000176649242 1031470694 /nfs/dbraw/zinc/47/06/94/1031470694.db2.gz KYCNIEKICPDAPJ-OAHLLOKOSA-N 0 0 348.462 3.573 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3csc(-c4ccco4)n3)CCO2)o1 ZINC000158604568 1031491977 /nfs/dbraw/zinc/49/19/77/1031491977.db2.gz ZBYVLFZONFCPBV-MRXNPFEDSA-N 0 0 330.409 3.878 10 0 EHAERN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(N)c1 ZINC000178473779 1031665601 /nfs/dbraw/zinc/66/56/01/1031665601.db2.gz CRYITAMRDLQSGW-UHFFFAOYSA-N 0 0 335.407 3.629 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000178542397 1031679135 /nfs/dbraw/zinc/67/91/35/1031679135.db2.gz IZVBUTNJHJNOIN-HWKANZROSA-N 0 0 349.887 3.630 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1sccc1-c1ccccc1 ZINC000178340937 1031682569 /nfs/dbraw/zinc/68/25/69/1031682569.db2.gz MOXWLPCYMNSAMA-ROUUACIJSA-N 0 0 335.428 3.803 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3nc(C)sc3C)C2)cc1 ZINC000178682972 1031714949 /nfs/dbraw/zinc/71/49/49/1031714949.db2.gz VIADOPOILAFLSC-NHYWBVRUSA-N 0 0 330.453 3.787 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)c1ccccn1 ZINC000179093977 1031733470 /nfs/dbraw/zinc/73/34/70/1031733470.db2.gz SVLKINPHSQAOQC-CJNGLKHVSA-N 0 0 345.830 3.659 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000117579691 1031756076 /nfs/dbraw/zinc/75/60/76/1031756076.db2.gz GNEADIZPCSWWOY-XHDPSFHLSA-N 0 0 339.313 3.735 10 0 EHAERN CCC(CC)n1nc(C(=O)Nc2cccc(-c3ncon3)c2)cc1C ZINC000179705218 1031770958 /nfs/dbraw/zinc/77/09/58/1031770958.db2.gz WEXSOQQHIZAVFR-UHFFFAOYSA-N 0 0 339.399 3.855 10 0 EHAERN CCCO[C@@H]1CCCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179494629 1031777777 /nfs/dbraw/zinc/77/77/77/1031777777.db2.gz XQTUPKIZAGLWMW-MRXNPFEDSA-N 0 0 342.443 3.890 10 0 EHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117623798 1031783303 /nfs/dbraw/zinc/78/33/03/1031783303.db2.gz BBQYRNVVXGJZTE-QGHHPUGFSA-N 0 0 344.798 3.802 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000117646879 1031787915 /nfs/dbraw/zinc/78/79/15/1031787915.db2.gz WCDGRGBUPHKAHA-DJJJIMSYSA-N 0 0 340.398 3.929 10 0 EHAERN CC[C@@]1(c2ccc(N[C@H](C)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000179608532 1031794215 /nfs/dbraw/zinc/79/42/15/1031794215.db2.gz APSASKTVPFZHCI-VFNWGFHPSA-N 0 0 336.435 3.944 10 0 EHAERN COc1cc(CN[C@H](c2cccc(C)c2)c2ccccn2)ccc1O ZINC000180169666 1031864043 /nfs/dbraw/zinc/86/40/43/1031864043.db2.gz IOVPUEZNAUVTSI-OAQYLSRUSA-N 0 0 334.419 3.983 10 0 EHAERN Cc1ccc(Cl)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000159121769 1031881288 /nfs/dbraw/zinc/88/12/88/1031881288.db2.gz VVNVHFQDGIKXQI-UHFFFAOYSA-N 0 0 346.862 3.869 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)CCO[C@@H](C)CC(C)C)CC2)nc1 ZINC000180872308 1031918924 /nfs/dbraw/zinc/91/89/24/1031918924.db2.gz WTUQBKRMNZMRLK-KRWDZBQOSA-N 0 0 348.487 3.601 10 0 EHAERN Cn1cnc2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cnc21 ZINC000180910288 1031924068 /nfs/dbraw/zinc/92/40/68/1031924068.db2.gz ALSXPWGMYKPRGP-MRXNPFEDSA-N 0 0 340.814 3.599 10 0 EHAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000332959349 1032015251 /nfs/dbraw/zinc/01/52/51/1032015251.db2.gz SWZAFNOHFQISSM-LISAXSMJSA-N 0 0 347.503 3.609 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000181450904 1032028284 /nfs/dbraw/zinc/02/82/84/1032028284.db2.gz YMZIYOJAQGZBRV-DNVCBOLYSA-N 0 0 348.450 3.506 10 0 EHAERN CCn1cc(CC(=O)Nc2cccc(-c3ncon3)c2)c2ccccc21 ZINC000101524840 1033733924 /nfs/dbraw/zinc/73/39/24/1033733924.db2.gz ATNXBGLFRBITIO-UHFFFAOYSA-N 0 0 346.390 3.892 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000083013893 1033840817 /nfs/dbraw/zinc/84/08/17/1033840817.db2.gz DXTNJXORPFIVSJ-KZULUSFZSA-N 0 0 342.464 3.545 10 0 EHAERN C[C@@H]1CC(CNC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C[C@@H](C)O1 ZINC000282079072 1034056230 /nfs/dbraw/zinc/05/62/30/1034056230.db2.gz ZWYQCIYQQYTNTO-CKEIUWERSA-N 0 0 346.471 3.792 10 0 EHAERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCCC(=O)N2)no1 ZINC000329926935 1034805853 /nfs/dbraw/zinc/80/58/53/1034805853.db2.gz WOUVNJOGYDHXCQ-KBPBESRZSA-N 0 0 348.447 3.536 10 0 EHAERN O=C(CCCc1nc2ccccc2s1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000121366464 1034845378 /nfs/dbraw/zinc/84/53/78/1034845378.db2.gz LDOCGHAIPMPYLK-GDBMZVCRSA-N 0 0 344.480 3.647 10 0 EHAERN CCSCCSCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000185614962 1035501724 /nfs/dbraw/zinc/50/17/24/1035501724.db2.gz FZMQROHDZYLFAO-INIZCTEOSA-N 0 0 339.526 3.845 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C(C)=C2CCCC2)c2ccc(F)cc2C1 ZINC000185689607 1035511642 /nfs/dbraw/zinc/51/16/42/1035511642.db2.gz WPNSLWXLGUCYOI-IBGZPJMESA-N 0 0 344.430 3.626 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3c(C)oc4ccccc43)CCO2)o1 ZINC000185943908 1035544362 /nfs/dbraw/zinc/54/43/62/1035544362.db2.gz QCWSDTYOJKVSPV-QGZVFWFLSA-N 0 0 325.364 3.856 10 0 EHAERN c1cnn(-c2ccc(CNCc3ncc(-c4ccccc4)cn3)cc2)c1 ZINC000185868258 1035551875 /nfs/dbraw/zinc/55/18/75/1035551875.db2.gz AMIKDRJXHZJPDL-UHFFFAOYSA-N 0 0 341.418 3.619 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000186345478 1035646013 /nfs/dbraw/zinc/64/60/13/1035646013.db2.gz IWYPBSSSYFBHMS-GOSISDBHSA-N 0 0 345.464 3.678 10 0 EHAERN Cc1nc2c(s1)[C@@H](Nc1ccc3c(c1)CN(C)C(=O)N3)CCC2 ZINC000186528582 1035655459 /nfs/dbraw/zinc/65/54/59/1035655459.db2.gz NAYWOMFNBCONKA-HNNXBMFYSA-N 0 0 328.441 3.918 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@H](C)C1 ZINC000186635118 1035674990 /nfs/dbraw/zinc/67/49/90/1035674990.db2.gz XOJPGZSTKWLFHE-JMSVASOKSA-N 0 0 330.432 3.610 10 0 EHAERN CC(=O)Nc1ccc(C)c(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000187098021 1035773426 /nfs/dbraw/zinc/77/34/26/1035773426.db2.gz SUHKBPCTPVVILW-UHFFFAOYSA-N 0 0 340.448 3.944 10 0 EHAERN CC(C)Oc1ccc(CC(=O)NC[C@@H]2CCOc3ccccc32)cc1 ZINC000187778911 1035858723 /nfs/dbraw/zinc/85/87/23/1035858723.db2.gz CXXKQEBYSXDXOP-KRWDZBQOSA-N 0 0 339.435 3.699 10 0 EHAERN CCCC1CCC(NC(=O)N2CCC(c3cnn(C)c3)CC2)CC1 ZINC000157554677 1035861110 /nfs/dbraw/zinc/86/11/10/1035861110.db2.gz RJARACBCNCXXKA-UHFFFAOYSA-N 0 0 332.492 3.668 10 0 EHAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)C1(Cc2ccccc2F)CC1 ZINC000187978357 1035892931 /nfs/dbraw/zinc/89/29/31/1035892931.db2.gz JLUGYNIGRUFBSJ-MSOLQXFVSA-N 0 0 341.430 3.645 10 0 EHAERN Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1C ZINC000188792883 1035975821 /nfs/dbraw/zinc/97/58/21/1035975821.db2.gz ISLXUBGWHNWFBC-AZUAARDMSA-N 0 0 347.414 3.952 10 0 EHAERN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCCc3c(O)cccc32)cs1 ZINC000188839496 1035989604 /nfs/dbraw/zinc/98/96/04/1035989604.db2.gz YCMSTOCSFWSQMH-SMDDNHRTSA-N 0 0 345.468 3.849 10 0 EHAERN Cc1cc(NC(=O)N2CCC(Nc3nccs3)CC2)ccc1F ZINC000188881285 1035993293 /nfs/dbraw/zinc/99/32/93/1035993293.db2.gz RYAWQOYCVBUZAW-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N[C@@H]2CCCc3c(O)cccc32)s1 ZINC000189476874 1036067845 /nfs/dbraw/zinc/06/78/45/1036067845.db2.gz GJBLGBSOUUOSQV-BXUZGUMPSA-N 0 0 331.441 3.595 10 0 EHAERN O=C(c1ccc2[nH]ccc2c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189829728 1036153243 /nfs/dbraw/zinc/15/32/43/1036153243.db2.gz WIXNFJWDJQXDMI-UHFFFAOYSA-N 0 0 332.403 3.877 10 0 EHAERN COCCC1(C(=O)N2CC3(CCOCC3)c3ccccc32)CCCC1 ZINC000189862385 1036159368 /nfs/dbraw/zinc/15/93/68/1036159368.db2.gz QKMKODQLVMKIAR-UHFFFAOYSA-N 0 0 343.467 3.678 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccs1 ZINC000189978846 1036170344 /nfs/dbraw/zinc/17/03/44/1036170344.db2.gz WAJKKEASPWJNDS-LLVKDONJSA-N 0 0 336.486 3.552 10 0 EHAERN CCCCOc1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(O)c1 ZINC000190237132 1036211386 /nfs/dbraw/zinc/21/13/86/1036211386.db2.gz CLUUMDMTZHPASO-MRXNPFEDSA-N 0 0 343.427 3.662 10 0 EHAERN C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190264009 1036212628 /nfs/dbraw/zinc/21/26/28/1036212628.db2.gz ABQMGQQKGICAKA-UONOGXRCSA-N 0 0 346.377 3.533 10 0 EHAERN Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190446783 1036239672 /nfs/dbraw/zinc/23/96/72/1036239672.db2.gz PDGTVAWNXIMGGP-UONOGXRCSA-N 0 0 347.509 3.720 10 0 EHAERN CC(C)(C)n1nccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000190500927 1036255117 /nfs/dbraw/zinc/25/51/17/1036255117.db2.gz KYHXBAGDKXPZJO-LBPRGKRZSA-N 0 0 333.461 3.506 10 0 EHAERN CC(C)N(C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000190726504 1036265684 /nfs/dbraw/zinc/26/56/84/1036265684.db2.gz DXMYSSGDLFRJNF-INIZCTEOSA-N 0 0 326.444 3.716 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000190668438 1036273692 /nfs/dbraw/zinc/27/36/92/1036273692.db2.gz JCSDZRFYNWDXCF-DYVFJYSZSA-N 0 0 326.396 3.585 10 0 EHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cc[nH]n1 ZINC000102342415 1036298128 /nfs/dbraw/zinc/29/81/28/1036298128.db2.gz JCYLKBOCVONQTB-UHFFFAOYSA-N 0 0 326.303 3.599 10 0 EHAERN c1ccc(-c2nc(CN3CC4(CCOCC4)c4ccccc43)no2)cc1 ZINC000192277939 1036489806 /nfs/dbraw/zinc/48/98/06/1036489806.db2.gz SDNJGKWCSZVGLH-UHFFFAOYSA-N 0 0 347.418 3.805 10 0 EHAERN CC(C)N(C(=O)[C@@H](C)N1CC2(CCOCC2)c2ccccc21)C(C)C ZINC000192286253 1036490625 /nfs/dbraw/zinc/49/06/25/1036490625.db2.gz TTYYKVHSPFYKHY-QGZVFWFLSA-N 0 0 344.499 3.589 10 0 EHAERN O=C1Nc2ccccc2CC[C@H]1N1CC2(CCOCC2)c2ccccc21 ZINC000192283363 1036491059 /nfs/dbraw/zinc/49/10/59/1036491059.db2.gz KPUIVBHZCOILAH-HXUWFJFHSA-N 0 0 348.446 3.508 10 0 EHAERN CC(C)c1noc([C@H](C)N2CC3(CCOCC3)c3ccccc32)n1 ZINC000192290409 1036493625 /nfs/dbraw/zinc/49/36/25/1036493625.db2.gz KHRVOHFPBCJYIC-AWEZNQCLSA-N 0 0 327.428 3.822 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3cccc(Cl)c3C)CC2)n1 ZINC000192560350 1036529411 /nfs/dbraw/zinc/52/94/11/1036529411.db2.gz NKDILTPYQLTDMS-UHFFFAOYSA-N 0 0 343.858 3.751 10 0 EHAERN CC(C)c1n[nH]cc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000193337860 1036595032 /nfs/dbraw/zinc/59/50/32/1036595032.db2.gz RAKOIWWSHFQDDA-UHFFFAOYSA-N 0 0 338.411 3.694 10 0 EHAERN CCC(CC)N(CCOC)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000102902134 1036752736 /nfs/dbraw/zinc/75/27/36/1036752736.db2.gz KYSAZHQFEVVLNZ-CYBMUJFWSA-N 0 0 340.439 3.742 10 0 EHAERN O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCOc2ccccc21 ZINC000102848462 1036779435 /nfs/dbraw/zinc/77/94/35/1036779435.db2.gz QFQVFFJWBGZBKD-CYBMUJFWSA-N 0 0 337.404 3.710 10 0 EHAERN CC(C)n1nccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102940051 1036788577 /nfs/dbraw/zinc/78/85/77/1036788577.db2.gz UMNMIQIESIRFKK-CQSZACIVSA-N 0 0 342.399 3.562 10 0 EHAERN Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000102987267 1036817764 /nfs/dbraw/zinc/81/77/64/1036817764.db2.gz HPXBBCCBYNQJBQ-LSDHHAIUSA-N 0 0 339.888 3.775 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c2ccccc2O1 ZINC000248882407 1037054656 /nfs/dbraw/zinc/05/46/56/1037054656.db2.gz RTHHILDDOIMWCG-QILLFSRXSA-N 0 0 344.455 3.546 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@H]2[C@H]2CCCO2)c2ccccc2O1 ZINC000285483500 1037167697 /nfs/dbraw/zinc/16/76/97/1037167697.db2.gz QXEMHLBHIQMLQH-XYJFISCASA-N 0 0 344.455 3.642 10 0 EHAERN c1cc(-c2noc(CSc3nnc(CCC4CCCC4)[nH]3)n2)co1 ZINC000105573167 1037212405 /nfs/dbraw/zinc/21/24/05/1037212405.db2.gz WLMRPHFKXDJYFG-UHFFFAOYSA-N 0 0 345.428 3.863 10 0 EHAERN COc1ccccc1CCN(C)C(=O)Cc1cccc(OC(C)C)c1 ZINC000104460702 1037298378 /nfs/dbraw/zinc/29/83/78/1037298378.db2.gz OOEGNINONZHKHX-UHFFFAOYSA-N 0 0 341.451 3.726 10 0 EHAERN O=C1C[C@H](c2nc(C3CCCCC3)no2)CN1CCc1ccccc1 ZINC000109526957 1037668352 /nfs/dbraw/zinc/66/83/52/1037668352.db2.gz OGELGINOKLYPLB-KRWDZBQOSA-N 0 0 339.439 3.676 10 0 EHAERN O=C1Nc2ccccc2S[C@H]1Cc1nc(C2CCCCC2)no1 ZINC000109528763 1037669344 /nfs/dbraw/zinc/66/93/44/1037669344.db2.gz DBIZSEKMAILENR-AWEZNQCLSA-N 0 0 329.425 3.773 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000112722857 1037769114 /nfs/dbraw/zinc/76/91/14/1037769114.db2.gz VBDHWQNMWBDWLM-HIFRSBDPSA-N 0 0 327.428 3.905 10 0 EHAERN O=C([C@@H]1CCOc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117723359 1037861416 /nfs/dbraw/zinc/86/14/16/1037861416.db2.gz FXOOPLOOEJQIIT-MRXNPFEDSA-N 0 0 325.433 3.930 10 0 EHAERN Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)[C@@H](C)CC(C)C)CCC2 ZINC000118433459 1037873059 /nfs/dbraw/zinc/87/30/59/1037873059.db2.gz LCTXHFWKZXUVOT-FZMZJTMJSA-N 0 0 330.519 3.525 10 0 EHAERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@@H](C)c1cccs1 ZINC000332769794 1037952802 /nfs/dbraw/zinc/95/28/02/1037952802.db2.gz HEJCJPLBOARCFW-JQWIXIFHSA-N 0 0 336.482 3.898 10 0 EHAERN CC[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)cc1 ZINC000123854982 1038089095 /nfs/dbraw/zinc/08/90/95/1038089095.db2.gz VKUJFPVDLFRPNO-GOSISDBHSA-N 0 0 343.446 3.534 10 0 EHAERN CCC1(CO)CCN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000124617420 1039008351 /nfs/dbraw/zinc/00/83/51/1039008351.db2.gz ONSZJWIZGCPJHW-MAUKXSAKSA-N 0 0 330.472 3.819 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)NC3CCOCC3)cc2s1 ZINC000408401758 1039114857 /nfs/dbraw/zinc/11/48/57/1039114857.db2.gz DQFDJLKDKJYSOH-UHFFFAOYSA-N 0 0 325.821 3.559 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000408407807 1039411427 /nfs/dbraw/zinc/41/14/27/1039411427.db2.gz XWUFUZZSUBMWKO-CKEIUWERSA-N 0 0 343.471 3.634 10 0 EHAERN C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000408414765 1039738190 /nfs/dbraw/zinc/73/81/90/1039738190.db2.gz HDTOBVKHDXEECW-HOTGVXAUSA-N 0 0 343.471 3.965 10 0 EHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000151376224 1040069282 /nfs/dbraw/zinc/06/92/82/1040069282.db2.gz ZVLGBYGERRMYJC-JCURWCKSSA-N 0 0 326.440 3.575 10 0 EHAERN C[C@]1(NC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000332861954 1040154927 /nfs/dbraw/zinc/15/49/27/1040154927.db2.gz LBYADFYHSHIZJW-FQLMCAECSA-N 0 0 348.409 3.612 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCO[C@H](C2CCCCC2)C1 ZINC000332895653 1040177294 /nfs/dbraw/zinc/17/72/94/1040177294.db2.gz KJQRKEOBBOXLLP-HKUYNNGSSA-N 0 0 344.455 3.501 10 0 EHAERN O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332984006 1040723410 /nfs/dbraw/zinc/72/34/10/1040723410.db2.gz SFVKVOPCIPAROL-VYDXJSESSA-N 0 0 344.446 3.539 10 0 EHAERN Cc1ccc(C(C)(C)CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000120523741 1040845828 /nfs/dbraw/zinc/84/58/28/1040845828.db2.gz ZKIVRJCOXXEPLS-NQIIRXRSSA-N 0 0 344.499 3.609 10 0 EHAERN CC[C@@H]1CN([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@@H](C)O1 ZINC000253542244 1040909385 /nfs/dbraw/zinc/90/93/85/1040909385.db2.gz LMXGPSCSXIEFHI-IRUJWGPZSA-N 0 0 335.473 3.574 10 0 EHAERN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C=O)cc1 ZINC000111126998 1041542765 /nfs/dbraw/zinc/54/27/65/1041542765.db2.gz PULUNCUKJGSPPC-ACJLOTCBSA-N 0 0 343.810 3.755 10 0 EHAERN Cc1cc(C)c(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)[nH]1 ZINC000408153200 1041878956 /nfs/dbraw/zinc/87/89/56/1041878956.db2.gz IYVHQBXJBKKKJC-CQSZACIVSA-N 0 0 330.432 3.895 10 0 EHAERN C[C@@H]1OCC[C@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302502790 1041954895 /nfs/dbraw/zinc/95/48/95/1041954895.db2.gz MAOKWURTKJATBF-JOYOIKCWSA-N 0 0 334.832 3.701 10 0 EHAERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCC[C@H]1c1ccco1 ZINC000408180128 1042158739 /nfs/dbraw/zinc/15/87/39/1042158739.db2.gz MVOQOQKZKBVIEJ-HOTGVXAUSA-N 0 0 326.396 3.877 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000162387586 1042725555 /nfs/dbraw/zinc/72/55/55/1042725555.db2.gz XMJVAZAPBIJIQR-VOTSOKGWSA-N 0 0 343.858 3.568 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000162439134 1042731868 /nfs/dbraw/zinc/73/18/68/1042731868.db2.gz YXWWOXXKQLWVFU-UHFFFAOYSA-N 0 0 333.435 3.668 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2cc(F)ccc2F)c2ccccc2)[nH]1 ZINC000162486219 1042734107 /nfs/dbraw/zinc/73/41/07/1042734107.db2.gz QFTCZILGYKQSAI-DIFFPNOSSA-N 0 0 328.366 3.832 10 0 EHAERN COc1ccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162510692 1042735935 /nfs/dbraw/zinc/73/59/35/1042735935.db2.gz QIJQUBXPFDJMNY-KPZWWZAWSA-N 0 0 340.402 3.701 10 0 EHAERN Cc1c2ccccc2oc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162569179 1042739743 /nfs/dbraw/zinc/73/97/43/1042739743.db2.gz SDMGOJSUTQGITF-UHFFFAOYSA-N 0 0 337.423 3.570 10 0 EHAERN CCCN1c2ccc(NC(=O)N3CC[C@H]4CCC[C@@H]43)cc2CCC1=O ZINC000330282556 1042806100 /nfs/dbraw/zinc/80/61/00/1042806100.db2.gz VLNGECHCFYZSFP-PBHICJAKSA-N 0 0 341.455 3.782 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000408283003 1042956999 /nfs/dbraw/zinc/95/69/99/1042956999.db2.gz DRAUQNQMVWXHIF-YWZLYKJASA-N 0 0 332.488 3.992 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000408360100 1043715491 /nfs/dbraw/zinc/71/54/91/1043715491.db2.gz RVQBCKCSQJDTFZ-QIIPPGSGSA-N 0 0 336.863 3.738 10 0 EHAERN CC[C@@H](CC1CCCC1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162693020 1043763050 /nfs/dbraw/zinc/76/30/50/1043763050.db2.gz DLGYYRJNCRYASH-SFHVURJKSA-N 0 0 331.504 3.808 10 0 EHAERN O=C(c1c(F)cc(F)cc1F)N1CCC[C@H](c2nccs2)C1 ZINC000163552988 1043969777 /nfs/dbraw/zinc/96/97/77/1043969777.db2.gz AOBQPBLAMNYCSG-VIFPVBQESA-N 0 0 326.343 3.580 10 0 EHAERN C[C@H]1C[C@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)CC(C)(C)C1 ZINC000408373781 1044321470 /nfs/dbraw/zinc/32/14/70/1044321470.db2.gz MOHOVYXGRIATOT-ZFWWWQNUSA-N 0 0 343.471 3.919 10 0 EHAERN O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000282193852 1128054952 /nfs/dbraw/zinc/05/49/52/1128054952.db2.gz SMCWUGVBKUBULQ-BMFZPTHFSA-N 0 0 346.858 3.977 10 0 EHAERN CC(C)[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000268802761 1128698501 /nfs/dbraw/zinc/69/85/01/1128698501.db2.gz BBSAFHJXEMWPRU-CMKODMSKSA-N 0 0 330.472 3.720 10 0 EHAERN Cc1nc(-c2ccccc2)sc1NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000184485688 1132410598 /nfs/dbraw/zinc/41/05/98/1132410598.db2.gz NIKXMWKAKKEFHM-HUUCEWRRSA-N 0 0 345.468 3.791 10 0 EHAERN O=C(Nc1nc2c(s1)CCCC2)N[C@@H]1CCOc2ccccc21 ZINC000192604766 1132474280 /nfs/dbraw/zinc/47/42/80/1132474280.db2.gz OEZGQLYZLNRJNC-GFCCVEGCSA-N 0 0 329.425 3.667 10 0 EHAERN COCCCCOC(=O)CCSc1nc2ccccc2s1 ZINC000103335906 1132817769 /nfs/dbraw/zinc/81/77/69/1132817769.db2.gz VQIYFVJRSKOVJU-UHFFFAOYSA-N 0 0 325.455 3.748 10 0 EHAERN CCS[C@H](C(=O)OCCCc1cnc2c(C)c(C)nn2c1)C(C)C ZINC000103819186 1133600736 /nfs/dbraw/zinc/60/07/36/1133600736.db2.gz DAVYNBYXUCVLCD-INIZCTEOSA-N 0 0 349.500 3.600 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(Cl)c2)c1 ZINC000101964476 1135434630 /nfs/dbraw/zinc/43/46/30/1135434630.db2.gz ZONDSWQFNXHHTD-ABAIWWIYSA-N 0 0 344.798 3.687 10 0 EHAERN CCC[C@@H](C)CC(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000102141735 1135464271 /nfs/dbraw/zinc/46/42/71/1135464271.db2.gz KIINXSAQNNRVSD-GDBMZVCRSA-N 0 0 335.444 3.810 10 0 EHAERN C[C@@H]1C[C@H]1NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000104406176 1135806433 /nfs/dbraw/zinc/80/64/33/1135806433.db2.gz PUMBSRXBMZSHHU-BDJLRTHQSA-N 0 0 340.448 3.627 10 0 EHAERN C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000102901857 1137874381 /nfs/dbraw/zinc/87/43/81/1137874381.db2.gz LGFONXUNMODCHN-FZMZJTMJSA-N 0 0 330.350 3.587 10 0 EHAERN CC(C)COC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000104289622 1137878153 /nfs/dbraw/zinc/87/81/53/1137878153.db2.gz CVBOGPOHXKMDFS-UHFFFAOYSA-N 0 0 343.389 3.912 10 0 EHAERN O=C(NCc1nccn1C(F)F)N(Cc1ccco1)C1CCCC1 ZINC000105225605 1137880526 /nfs/dbraw/zinc/88/05/26/1137880526.db2.gz XAMRXKATLHRWBN-UHFFFAOYSA-N 0 0 338.358 3.526 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@H]1CC12CCOCC2 ZINC000333041832 1137953578 /nfs/dbraw/zinc/95/35/78/1137953578.db2.gz AOORITZXEISENR-IRXDYDNUSA-N 0 0 328.456 3.568 10 0 EHAERN COc1cnc(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)nc1 ZINC000333193047 1137957874 /nfs/dbraw/zinc/95/78/74/1137957874.db2.gz OTSARQZVAKTHOJ-QGZVFWFLSA-N 0 0 340.427 3.943 10 0 EHAERN O=C(Nc1ccc2cc[nH]c(=O)c2c1)NC1C2CC3CC(C2)CC1C3 ZINC000333317447 1138276519 /nfs/dbraw/zinc/27/65/19/1138276519.db2.gz AKBMZTXDDDRNSW-UHFFFAOYSA-N 0 0 337.423 3.887 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](O)CC23CCC3)c2ccccc21 ZINC000333727498 1138325897 /nfs/dbraw/zinc/32/58/97/1138325897.db2.gz KNMORVUOXMADGY-RVKKMQEKSA-N 0 0 328.456 3.714 10 0 EHAERN C[C@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@H]1n1ccnc1 ZINC000334067483 1138367614 /nfs/dbraw/zinc/36/76/14/1138367614.db2.gz DUSORYLVZJRSNT-DSLXNQLJSA-N 0 0 344.503 3.692 10 0 EHAERN CO[C@H](CNC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccccc1 ZINC000186375138 1140200599 /nfs/dbraw/zinc/20/05/99/1140200599.db2.gz MJNQGBXKAFNFPO-DLBZAZTESA-N 0 0 345.468 3.686 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2cccc(C)c2)cs1 ZINC000186508724 1140207764 /nfs/dbraw/zinc/20/77/64/1140207764.db2.gz IZPGWZNBQLMUBA-KRWDZBQOSA-N 0 0 329.469 3.849 10 0 EHAERN COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186882792 1140226855 /nfs/dbraw/zinc/22/68/55/1140226855.db2.gz WSJBFOGRTHNTMD-RISCZKNCSA-N 0 0 325.478 3.502 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nc(-c3ccc(F)cc3)no2)cs1 ZINC000189808577 1140365805 /nfs/dbraw/zinc/36/58/05/1140365805.db2.gz PTQXDWYZRAXUFA-HNNXBMFYSA-N 0 0 344.415 3.978 10 0 EHAERN COc1ccc(Br)cc1Cn1nc(C)c(Cl)c1C ZINC000050587867 214059707 /nfs/dbraw/zinc/05/97/07/214059707.db2.gz VNRRQHMQGQOCQY-UHFFFAOYSA-N 0 0 329.625 3.973 10 0 EHAERN C[C@@](O)(COc1ccc(Br)cc1F)c1ccccc1 ZINC000052098079 214116147 /nfs/dbraw/zinc/11/61/47/214116147.db2.gz FSOPPGBHZMEQMH-OAHLLOKOSA-N 0 0 325.177 3.875 10 0 EHAERN CCc1nc(N(C)Cc2ccc(Br)cc2)sc1C=O ZINC000054967840 214260819 /nfs/dbraw/zinc/26/08/19/214260819.db2.gz FANFFSUBUJMSDV-UHFFFAOYSA-N 0 0 339.258 3.917 10 0 EHAERN O[C@@H](Cc1ccc(F)cc1F)Cc1ccccc1Br ZINC000055334999 214308487 /nfs/dbraw/zinc/30/84/87/214308487.db2.gz YKGWKTZZAJACGY-CYBMUJFWSA-N 0 0 327.168 3.873 10 0 EHAERN Cc1ccc(S(=O)(=O)N(C)[C@H](C)CC(C)C)c(Br)c1 ZINC000055482640 214325617 /nfs/dbraw/zinc/32/56/17/214325617.db2.gz XJLSCFYRQYIUOY-GFCCVEGCSA-N 0 0 348.306 3.813 10 0 EHAERN Nc1c(Cl)ncnc1Nc1ccc(Br)cc1Cl ZINC000062362557 214713892 /nfs/dbraw/zinc/71/38/92/214713892.db2.gz OFTREXAIWGTFTP-UHFFFAOYSA-N 0 0 334.004 3.872 10 0 EHAERN CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(F)cc1O2 ZINC000066054930 215004427 /nfs/dbraw/zinc/00/44/27/215004427.db2.gz DJJOZCOOKOLKGR-UHFFFAOYSA-N 0 0 335.375 3.561 10 0 EHAERN CCc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000040966389 213404551 /nfs/dbraw/zinc/40/45/51/213404551.db2.gz QVSHIGHWYBKTOG-UHFFFAOYSA-N 0 0 345.464 3.935 10 0 EHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1NC1CCCCCC1 ZINC000040779601 213385771 /nfs/dbraw/zinc/38/57/71/213385771.db2.gz BMUZQEQALNYGIT-UHFFFAOYSA-N 0 0 332.839 3.986 10 0 EHAERN Cc1ccccc1Nc1ncnc(Nc2ccc3c(c2)OCCO3)c1N ZINC000040762026 213384388 /nfs/dbraw/zinc/38/43/88/213384388.db2.gz DVLPHUTYNMUNRB-UHFFFAOYSA-N 0 0 349.394 3.626 10 0 EHAERN Cc1nc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)sc1C ZINC000040783136 213387372 /nfs/dbraw/zinc/38/73/72/213387372.db2.gz KPALKQONRVDHQI-UHFFFAOYSA-N 0 0 348.382 3.898 10 0 EHAERN COc1ccc(C)cc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040684272 213369865 /nfs/dbraw/zinc/36/98/65/213369865.db2.gz YLVCAULALDHELE-UHFFFAOYSA-N 0 0 335.411 3.887 10 0 EHAERN COc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1 ZINC000040688124 213368954 /nfs/dbraw/zinc/36/89/54/213368954.db2.gz DFJVPFFSXLZHFQ-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN CCN(c1cccc2ccccc21)c1ncnc(-n2ccnc2)c1N ZINC000040702211 213371782 /nfs/dbraw/zinc/37/17/82/213371782.db2.gz QLXNWPNZPAQKHC-UHFFFAOYSA-N 0 0 330.395 3.556 10 0 EHAERN CCN(CC)c1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703964 213371811 /nfs/dbraw/zinc/37/18/11/213371811.db2.gz AZZFBGBGIGCPMU-UHFFFAOYSA-N 0 0 326.231 3.955 10 0 EHAERN OCCn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040401067 213297707 /nfs/dbraw/zinc/29/77/07/213297707.db2.gz DPWCMGBRDRNRHO-UHFFFAOYSA-N 0 0 337.206 3.914 10 0 EHAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2CCCO)cc1 ZINC000040402456 213299183 /nfs/dbraw/zinc/29/91/83/213299183.db2.gz BKUDXBZADMFDHT-UHFFFAOYSA-N 0 0 330.815 3.960 10 0 EHAERN Cc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)c1 ZINC000040320473 213291241 /nfs/dbraw/zinc/29/12/41/213291241.db2.gz XEQDMGLJTFXAQS-UHFFFAOYSA-N 0 0 341.388 3.673 10 0 EHAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(Br)cc2)c(N)c1 ZINC000040354765 213292525 /nfs/dbraw/zinc/29/25/25/213292525.db2.gz UAQZRGOTYLAMJU-LLVKDONJSA-N 0 0 334.213 3.990 10 0 EHAERN O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)NC1CC1 ZINC000040306207 213289853 /nfs/dbraw/zinc/28/98/53/213289853.db2.gz XHHVTWNWJUHYET-UHFFFAOYSA-N 0 0 339.826 3.559 10 0 EHAERN CCOC(=O)[C@@](C)(N[C@H](C)CC)c1ccc(Br)cc1 ZINC000038067780 213199093 /nfs/dbraw/zinc/19/90/93/213199093.db2.gz SZKHHVBOASKEAJ-ABAIWWIYSA-N 0 0 328.250 3.616 10 0 EHAERN Cc1ccc(N)cc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000038001341 213185939 /nfs/dbraw/zinc/18/59/39/213185939.db2.gz KSMPYKJCDIIIRN-UHFFFAOYSA-N 0 0 325.195 3.902 10 0 EHAERN CCOC(=O)[C@](C)(NC1CCCC1)c1ccc(Br)cc1 ZINC000037970629 213177971 /nfs/dbraw/zinc/17/79/71/213177971.db2.gz JDLHTKDPMAVALJ-MRXNPFEDSA-N 0 0 340.261 3.760 10 0 EHAERN COC(=O)[C@@H](NCc1cccs1)c1ccccc1Br ZINC000037966922 213177361 /nfs/dbraw/zinc/17/73/61/213177361.db2.gz HORUIZJSOMOYCE-ZDUSSCGKSA-N 0 0 340.242 3.515 10 0 EHAERN C[C@H](Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cccs1 ZINC000037129816 213133135 /nfs/dbraw/zinc/13/31/35/213133135.db2.gz SKZXKFFVIIZGCA-ZETCQYMHSA-N 0 0 338.230 3.853 10 0 EHAERN COc1ccc(-n2nnc(C(=O)OC3CCCCC3)c2C)cc1Cl ZINC000036639118 213105986 /nfs/dbraw/zinc/10/59/86/213105986.db2.gz AUHGOHDVJHPTPY-UHFFFAOYSA-N 0 0 349.818 3.727 10 0 EHAERN CCCSc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1 ZINC000072175608 216065201 /nfs/dbraw/zinc/06/52/01/216065201.db2.gz AVRRTRXADIFWNX-UHFFFAOYSA-N 0 0 343.452 3.924 10 0 EHAERN COc1cc2c(N[C@H](C)c3ccccc3)ncnc2c(OC)c1OC ZINC000028650361 212629844 /nfs/dbraw/zinc/62/98/44/212629844.db2.gz QKQJJSCIWKGTLU-GFCCVEGCSA-N 0 0 339.395 3.829 10 0 EHAERN CCCCN1CN(c2cccc(C)c2C)c2nc(C)c(C)c(=O)n2C1 ZINC000072442969 216236284 /nfs/dbraw/zinc/23/62/84/216236284.db2.gz KEOTYYDOQDBFHG-UHFFFAOYSA-N 0 0 340.471 3.646 10 0 EHAERN CCc1c(C)nc2n(c1=O)CN(C(C)C)CN2c1cccc(C)c1C ZINC000072442999 216236550 /nfs/dbraw/zinc/23/65/50/216236550.db2.gz QGWGCKBSPNRCAZ-UHFFFAOYSA-N 0 0 340.471 3.508 10 0 EHAERN CCn1cc(N[C@@H](C)c2ccc(Br)s2)ccc1=O ZINC000038003421 213187156 /nfs/dbraw/zinc/18/71/56/213187156.db2.gz ROTVPPFGLSBQQI-VIFPVBQESA-N 0 0 327.247 3.865 10 0 EHAERN CC(C)(C)Cc1nnc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)o1 ZINC000023140493 212354442 /nfs/dbraw/zinc/35/44/42/212354442.db2.gz ZCUFIRHGDCLHOO-AWEZNQCLSA-N 0 0 348.491 3.880 10 0 EHAERN COc1cc(Cl)c(NC(=O)c2ccnc(Cl)c2)cc1OC ZINC000023054274 212345039 /nfs/dbraw/zinc/34/50/39/212345039.db2.gz SJVPKYODIDZMHT-UHFFFAOYSA-N 0 0 327.167 3.658 10 0 EHAERN CCN(CC)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000022636410 212313860 /nfs/dbraw/zinc/31/38/60/212313860.db2.gz UIPXIUHXAVHCAJ-UHFFFAOYSA-N 0 0 349.452 3.923 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)o1 ZINC000021839822 212255986 /nfs/dbraw/zinc/25/59/86/212255986.db2.gz UWRUAKOGZCWFKT-NSHDSACASA-N 0 0 338.201 3.607 10 0 EHAERN CCC(=O)Oc1cccc(NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000021026196 212200935 /nfs/dbraw/zinc/20/09/35/212200935.db2.gz YVAYQORIMOBLKI-UHFFFAOYSA-N 0 0 327.380 3.636 10 0 EHAERN Cc1cc(=O)c2cc(C(=O)Nc3nc4ccccc4s3)ccc2[nH]1 ZINC000020900145 212184106 /nfs/dbraw/zinc/18/41/06/212184106.db2.gz HFVRDMIBWMQARL-UHFFFAOYSA-N 0 0 335.388 3.699 10 0 EHAERN CC(=O)N1c2ccccc2C(=O)[C@H]1N(Cc1ccccc1)C(C)(C)C ZINC000020579844 212148737 /nfs/dbraw/zinc/14/87/37/212148737.db2.gz LZPOJASYSKWTIF-FQEVSTJZSA-N 0 0 336.435 3.863 10 0 EHAERN O=C(c1ccccc1OCC1CC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000253623478 244038858 /nfs/dbraw/zinc/03/88/58/244038858.db2.gz VTYVZXSWIIEILY-UHOSZYNNSA-N 0 0 343.467 3.631 10 0 EHAERN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cc(Br)ccc1F ZINC000019966970 212091973 /nfs/dbraw/zinc/09/19/73/212091973.db2.gz LUQRISJJBSTROJ-UHFFFAOYSA-N 0 0 348.171 3.626 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)s1 ZINC000019874457 212078968 /nfs/dbraw/zinc/07/89/68/212078968.db2.gz LKSIOGRGBHABLH-UHFFFAOYSA-N 0 0 337.242 3.686 10 0 EHAERN CC(=O)c1cccc(CN2CCc3[nH]nc(-c4ccccc4F)c3C2)c1 ZINC000019782375 212066446 /nfs/dbraw/zinc/06/64/46/212066446.db2.gz ZJEADINYHCHUOY-UHFFFAOYSA-N 0 0 349.409 3.977 10 0 EHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(Br)o1 ZINC000019257163 212010456 /nfs/dbraw/zinc/01/04/56/212010456.db2.gz HRCHCPHLOZNNLQ-UHFFFAOYSA-N 0 0 349.106 3.895 10 0 EHAERN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)c1C ZINC000012403331 211368925 /nfs/dbraw/zinc/36/89/25/211368925.db2.gz JWCQHBBBINYJCU-DHZHZOJOSA-N 0 0 328.412 3.969 10 0 EHAERN O=C1SC(=O)c2c1csc2-c1scc2c1C(=O)SC2=O ZINC000090668120 217948046 /nfs/dbraw/zinc/94/80/46/217948046.db2.gz ZJZKDJVYCSYPLW-UHFFFAOYSA-N 0 0 338.412 3.531 10 0 EHAERN COc1ccc(OC)c(-c2cc(-c3ccco3)nc3ncnc(N)c32)c1 ZINC000009694583 211116686 /nfs/dbraw/zinc/11/66/86/211116686.db2.gz CCIGVOLJYOLFNY-UHFFFAOYSA-N 0 0 348.362 3.551 10 0 EHAERN CC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095931962 218450124 /nfs/dbraw/zinc/45/01/24/218450124.db2.gz MDCCMZGGNCMFPQ-HMUOFMRJSA-N 0 0 346.511 3.876 10 0 EHAERN CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)nc2ncccn21 ZINC000096028621 218516774 /nfs/dbraw/zinc/51/67/74/218516774.db2.gz MIAOJMWKMGXZJB-UHFFFAOYSA-N 0 0 336.178 3.880 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3CSCCS3)o2)cc1 ZINC000299743493 258009017 /nfs/dbraw/zinc/00/90/17/258009017.db2.gz NVBNJAZBIHEZID-BFHYXJOUSA-N 0 0 334.466 3.836 10 0 EHAERN CC(C)(C)n1cc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)cn1 ZINC000328651045 258021088 /nfs/dbraw/zinc/02/10/88/258021088.db2.gz VUJOVDASSZRKRT-KRWDZBQOSA-N 0 0 327.476 3.577 10 0 EHAERN COc1ccc(C)cc1N1CCN(Cc2ccccc2C)[C@H](C)C1=O ZINC000037285234 132394089 /nfs/dbraw/zinc/39/40/89/132394089.db2.gz RNWLDHRVPGFEEL-QGZVFWFLSA-N 0 0 338.451 3.549 10 0 EHAERN CCOC(=O)CN1C(=O)O[C@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000003607527 135660840 /nfs/dbraw/zinc/66/08/40/135660840.db2.gz HPLYKCKUDFMHGL-QGZVFWFLSA-N 0 0 345.782 3.949 10 0 EHAERN O=C(NCCc1ccccc1)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000136899194 534477103 /nfs/dbraw/zinc/47/71/03/534477103.db2.gz UIYQVTVUOGVOKN-UHFFFAOYSA-N 0 0 331.375 3.795 10 0 EHAERN COCCn1cc(N[C@@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000037305470 522110921 /nfs/dbraw/zinc/11/09/21/522110921.db2.gz OTRWVVXZCSMTDQ-JTQLQIEISA-N 0 0 342.212 3.604 10 0 EHAERN CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccccc2)C1 ZINC000211645783 534816656 /nfs/dbraw/zinc/81/66/56/534816656.db2.gz BZALDIDUIZJDRH-UHFFFAOYSA-N 0 0 349.409 3.642 10 0 EHAERN COc1ccc(/C=C2\CCC[C@@H]3C2=NO[C@]3(O)C(F)(F)F)cc1 ZINC000217020033 536598306 /nfs/dbraw/zinc/59/83/06/536598306.db2.gz LUQMHCRRVCTZRN-DMRRBVLHSA-N 0 0 327.302 3.516 10 0 EHAERN COc1cc2c(cc1-c1cc3cc4ccoc4cc3oc1=O)OCO2 ZINC000001597393 560125043 /nfs/dbraw/zinc/12/50/43/560125043.db2.gz PENSQRMNZZWMGV-UHFFFAOYSA-N 0 0 336.299 3.944 10 0 endogenous,in-man EHAERN O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NC1CCCCC1 ZINC000032974373 563920215 /nfs/dbraw/zinc/92/02/15/563920215.db2.gz ZTGQELQZHRCMRT-UHFFFAOYSA-N 0 0 334.504 3.644 10 0 EHAERN Cc1nc(CN(C)C)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000049667264 564032832 /nfs/dbraw/zinc/03/28/32/564032832.db2.gz ZRNDKBDTQSBRDZ-UHFFFAOYSA-N 0 0 343.374 3.784 10 0 EHAERN CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O[C@@H](C)CC)cc1 ZINC000005910085 564033035 /nfs/dbraw/zinc/03/30/35/564033035.db2.gz PZMKNRGLZYFPOT-JCGIZDLHSA-N 0 0 345.439 3.948 10 0 EHAERN CCc1nn(Cc2ccc(F)cc2)c(=O)c2cc3cc(C)ccc3n21 ZINC000006803421 564033565 /nfs/dbraw/zinc/03/35/65/564033565.db2.gz VFSVTSXVPMBTPY-UHFFFAOYSA-N 0 0 335.382 3.707 10 0 EHAERN Cc1cc(N2CCC[C@H](C(=O)C(C)C)C2=O)ccc1Br ZINC000536951719 564091743 /nfs/dbraw/zinc/09/17/43/564091743.db2.gz ZLJCOALQYDXCBW-CYBMUJFWSA-N 0 0 338.245 3.726 10 0 EHAERN CC(C)NC(=O)c1ccc(C[S@](=O)Cc2ccc(Cl)cc2)o1 ZINC000006895795 564100955 /nfs/dbraw/zinc/10/09/55/564100955.db2.gz CLYADTHZKYQUBL-QFIPXVFZSA-N 0 0 339.844 3.520 10 0 EHAERN CC1=C(C#N)[C@@H](c2cccnc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545754 564129381 /nfs/dbraw/zinc/12/93/81/564129381.db2.gz LGGGSWNWWFFXKD-OAHLLOKOSA-N 0 0 327.815 3.863 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1C1CC1 ZINC000253395762 564130505 /nfs/dbraw/zinc/13/05/05/564130505.db2.gz GZBPBYOFRYKSJL-BHIYHBOVSA-N 0 0 343.467 3.728 10 0 EHAERN CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000689080319 976207049 /nfs/dbraw/zinc/20/70/49/976207049.db2.gz CZQFKNPQMJIVNW-KRWDZBQOSA-N 0 0 346.496 3.693 10 0 EHAERN O=C([O-])c1occc1C[NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000709625131 977461670 /nfs/dbraw/zinc/46/16/70/977461670.db2.gz CQGIQJXZVMGZLO-GOSISDBHSA-N 0 0 342.439 3.512 10 0 EHAERN CC(C)CCN(C(=O)C1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000044892440 1014594135 /nfs/dbraw/zinc/59/41/35/1014594135.db2.gz SYVBVMIDCHMSSB-UHFFFAOYSA-N 0 0 348.512 3.637 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000187405850 1015200936 /nfs/dbraw/zinc/20/09/36/1015200936.db2.gz WWVVJXICYXXUIC-KBPBESRZSA-N 0 0 337.489 3.644 10 0 EHAERN Cc1nnnn1-c1cccc(N[C@@H](C)c2ccc3ccccc3n2)c1 ZINC000182872859 1032147159 /nfs/dbraw/zinc/14/71/59/1032147159.db2.gz GZNCOZYYGDHLEW-ZDUSSCGKSA-N 0 0 330.395 3.692 10 0 EHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183075131 1032158988 /nfs/dbraw/zinc/15/89/88/1032158988.db2.gz USHMPUDWBUMQFR-KRWDZBQOSA-N 0 0 347.422 3.816 10 0 EHAERN O=C(Nc1cc(Cl)ccc1F)N1CCCN(c2ccccn2)CC1 ZINC000184037640 1032227475 /nfs/dbraw/zinc/22/74/75/1032227475.db2.gz DIFPMXAGGARPNS-UHFFFAOYSA-N 0 0 348.809 3.618 10 0 EHAERN CC(C)C(=O)N1CCCN(C(=O)Nc2ccc(C(C)C)c(F)c2)CC1 ZINC000184446449 1032271637 /nfs/dbraw/zinc/27/16/37/1032271637.db2.gz BLPYMYRGKMEGGO-UHFFFAOYSA-N 0 0 349.450 3.671 10 0 EHAERN Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)ccc1N(C)C ZINC000080741656 1032284786 /nfs/dbraw/zinc/28/47/86/1032284786.db2.gz WKYFWPFNDUDQBF-AEFFLSMTSA-N 0 0 341.459 3.563 10 0 EHAERN C[C@H](C(=O)Nc1cccc(-c2ncon2)c1)c1cn(C)c2ccccc12 ZINC000184745272 1032306275 /nfs/dbraw/zinc/30/62/75/1032306275.db2.gz NOGXYRUYEODOST-ZDUSSCGKSA-N 0 0 346.390 3.971 10 0 EHAERN O=C(c1cc2cc(F)ccc2oc1=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184619929 1032310268 /nfs/dbraw/zinc/31/02/68/1032310268.db2.gz PLRDZSBDRDZHHU-UHFFFAOYSA-N 0 0 349.361 3.620 10 0 EHAERN O=C(C=Cc1ccc2ccccc2c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000184677060 1032315351 /nfs/dbraw/zinc/31/53/51/1032315351.db2.gz QXXRNSZWSUADOD-RQMBKDMJSA-N 0 0 331.419 3.982 10 0 EHAERN CSc1cccc(C)c1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000184971607 1032349656 /nfs/dbraw/zinc/34/96/56/1032349656.db2.gz DNMJAVCMBQAWNQ-OAHLLOKOSA-N 0 0 343.452 3.797 10 0 EHAERN C[C@@H](c1cnccn1)[S@@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000185174222 1032357402 /nfs/dbraw/zinc/35/74/02/1032357402.db2.gz BDCQJZJBNGHJEG-RULNZOCKSA-N 0 0 347.827 3.795 10 0 EHAERN CCC[C@@H]1CCCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000185418520 1032396601 /nfs/dbraw/zinc/39/66/01/1032396601.db2.gz NSZVBOYSVGKXEJ-CZUORRHYSA-N 0 0 332.469 3.671 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)CCC2CCCC2)c2ccc(F)cc2C1 ZINC000185533977 1032440752 /nfs/dbraw/zinc/44/07/52/1032440752.db2.gz CWNFQFZJZVHUMK-IBGZPJMESA-N 0 0 346.446 3.706 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1 ZINC000185544799 1032440890 /nfs/dbraw/zinc/44/08/90/1032440890.db2.gz FDQYNPBQMLNSNF-UHFFFAOYSA-N 0 0 329.375 3.604 10 0 EHAERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)[C@H]1CCCn2ccnc21 ZINC000081119833 1032494185 /nfs/dbraw/zinc/49/41/85/1032494185.db2.gz FKFUNKQJSLDMBD-JKSUJKDBSA-N 0 0 329.831 3.681 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119077729 1032561168 /nfs/dbraw/zinc/56/11/68/1032561168.db2.gz HUFCYDNBZZWCHP-ZIAGYGMSSA-N 0 0 325.393 3.849 10 0 EHAERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@@](C)(F)C3)c21 ZINC000408050479 1018352825 /nfs/dbraw/zinc/35/28/25/1018352825.db2.gz JWNJENHGHKVTGS-GOSISDBHSA-N 0 0 331.391 3.798 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000083544549 1018497223 /nfs/dbraw/zinc/49/72/23/1018497223.db2.gz QQUPEYHBPNYQPN-NDGTYSDOSA-N 0 0 333.407 3.969 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC2(C1)CCCCCC2 ZINC000083750164 1018513453 /nfs/dbraw/zinc/51/34/53/1018513453.db2.gz LBZQXEYYCAEKNL-MRXNPFEDSA-N 0 0 345.491 3.567 10 0 EHAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000333342959 1019305131 /nfs/dbraw/zinc/30/51/31/1019305131.db2.gz UABLHMPGCLLVER-CRAIPNDOSA-N 0 0 341.455 3.541 10 0 EHAERN C[C@H]1CC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000333375833 1019438502 /nfs/dbraw/zinc/43/85/02/1019438502.db2.gz WPVJZDYUELPXEB-STQMWFEESA-N 0 0 325.412 3.950 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ccoc1C(F)(F)F ZINC000291771409 1019651555 /nfs/dbraw/zinc/65/15/55/1019651555.db2.gz BTJKEIBTPGSYGN-XEZPLFJOSA-N 0 0 345.361 3.844 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000588398974 1020479584 /nfs/dbraw/zinc/47/95/84/1020479584.db2.gz KQLJIPIYKDTQPL-ICFOKQHNSA-N 0 0 335.451 3.579 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CCOC3(CCCC3)C2)c1 ZINC000092147549 1020842247 /nfs/dbraw/zinc/84/22/47/1020842247.db2.gz RYKZKLOUJSFFPE-UHFFFAOYSA-N 0 0 325.412 3.720 10 0 EHAERN O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)c1noc2c1CCCCC2 ZINC000333972888 1021555724 /nfs/dbraw/zinc/55/57/24/1021555724.db2.gz XLJNCHCMYFXISD-SWLSCSKDSA-N 0 0 346.452 3.655 10 0 EHAERN O=C(Nc1ccc2c(n1)CCC2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000333715034 1021937649 /nfs/dbraw/zinc/93/76/49/1021937649.db2.gz UHMNNHAYVWXXBT-VXGBXAGGSA-N 0 0 327.350 3.813 10 0 EHAERN COC(=O)C1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000188334658 1022094753 /nfs/dbraw/zinc/09/47/53/1022094753.db2.gz IWXXCRHPFRRTIA-UHFFFAOYSA-N 0 0 335.488 3.975 10 0 EHAERN Cc1ccc(/C=C/CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1 ZINC000588434310 1022139974 /nfs/dbraw/zinc/13/99/74/1022139974.db2.gz CPFBHFSBSFQPPN-IGTJQSIKSA-N 0 0 344.455 3.595 10 0 EHAERN CC[C@]1(CO)CCCN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000187694096 1022216761 /nfs/dbraw/zinc/21/67/61/1022216761.db2.gz WNMDTYVSZXNTKO-CVAIRZPRSA-N 0 0 330.472 3.819 10 0 EHAERN COc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1OC ZINC000333838062 1022245409 /nfs/dbraw/zinc/24/54/09/1022245409.db2.gz MSVNPWGYVAGNSZ-CFLYGVGMSA-N 0 0 330.428 3.604 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127748312 1022393150 /nfs/dbraw/zinc/39/31/50/1022393150.db2.gz OZWUUQNDSSVIFQ-DYVFJYSZSA-N 0 0 348.493 3.639 10 0 EHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N1CCC[C@H]1c1ccccc1 ZINC000333726377 1022612269 /nfs/dbraw/zinc/61/22/69/1022612269.db2.gz VZDVOONZGAVJCT-KRWDZBQOSA-N 0 0 335.407 3.970 10 0 EHAERN CCS[C@H](C)c1noc(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000125639628 1022657320 /nfs/dbraw/zinc/65/73/20/1022657320.db2.gz AEYXNCIYTAAREW-NEPJUHHUSA-N 0 0 338.502 3.720 10 0 EHAERN Cc1cc(C)cc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000101737316 1022687527 /nfs/dbraw/zinc/68/75/27/1022687527.db2.gz DJENMKRJAMJZDK-MRXNPFEDSA-N 0 0 345.487 3.708 10 0 EHAERN COC(=O)c1c(C2CC2)csc1NC(=O)/C=C\c1ncccc1C ZINC000588453379 1023050042 /nfs/dbraw/zinc/05/00/42/1023050042.db2.gz XAOHNZXMGLOTNL-FPLPWBNLSA-N 0 0 342.420 3.767 10 0 EHAERN O=C(/C=C\c1ccnc2ccccc12)Oc1cccc2c1OCCO2 ZINC000588457460 1023201463 /nfs/dbraw/zinc/20/14/63/1023201463.db2.gz CDBGIPAKLMCMKS-HJWRWDBZSA-N 0 0 333.343 3.625 10 0 EHAERN Cc1c(NC(=O)N[C@H]2CCCc3c(O)cccc32)cccc1N(C)C ZINC000190137818 1023255731 /nfs/dbraw/zinc/25/57/31/1023255731.db2.gz GVIDQJFMUGTRCY-KRWDZBQOSA-N 0 0 339.439 3.966 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190308380 1023282070 /nfs/dbraw/zinc/28/20/70/1023282070.db2.gz MILFVWRLVWZRLF-ZBEGNZNMSA-N 0 0 328.412 3.684 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000180546998 1023299635 /nfs/dbraw/zinc/29/96/35/1023299635.db2.gz FKEYEWFNPDCDGG-GUYCJALGSA-N 0 0 326.444 3.545 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)c3cccc4[nH]ncc43)C2)sc1C ZINC000329668523 1024024821 /nfs/dbraw/zinc/02/48/21/1024024821.db2.gz RANAYUGAXNQRNM-CYBMUJFWSA-N 0 0 340.452 3.656 10 0 EHAERN CC(C)(C)c1nnc(NC(=O)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000191353665 1024078610 /nfs/dbraw/zinc/07/86/10/1024078610.db2.gz NQRREKOGHRCESG-LBPRGKRZSA-N 0 0 346.456 3.740 10 0 EHAERN C[C@@H](NC(=O)N[C@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000134661191 1024148649 /nfs/dbraw/zinc/14/86/49/1024148649.db2.gz JLGBWUIANMERNR-VXGBXAGGSA-N 0 0 344.377 3.881 10 0 EHAERN CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191808217 1024167661 /nfs/dbraw/zinc/16/76/61/1024167661.db2.gz NVHJYAFEJSHPSZ-GDBMZVCRSA-N 0 0 327.428 3.885 10 0 EHAERN COc1ccc(F)c(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000151784286 1024624419 /nfs/dbraw/zinc/62/44/19/1024624419.db2.gz JPAKYKAWSSUWHG-NSHDSACASA-N 0 0 335.404 3.702 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)CCO2)o1 ZINC000151815231 1024726724 /nfs/dbraw/zinc/72/67/24/1024726724.db2.gz AGGMLSJULWRVFG-NUJGCVRESA-N 0 0 345.826 3.945 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000153605678 1025220415 /nfs/dbraw/zinc/22/04/15/1025220415.db2.gz IENGHFDXOAQSLQ-HZPDHXFCSA-N 0 0 347.507 3.704 10 0 EHAERN C[C@H](CNC(=O)N(C)C[C@@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000102905670 1025541743 /nfs/dbraw/zinc/54/17/43/1025541743.db2.gz IFIKRAHQAQYZKB-NEPJUHHUSA-N 0 0 345.270 3.917 10 0 EHAERN CC1(C)CCCN1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000102958754 1025559205 /nfs/dbraw/zinc/55/92/05/1025559205.db2.gz BDXZJOGRSARSLR-UHFFFAOYSA-N 0 0 330.350 3.712 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3o2)no1 ZINC000329330064 1025758600 /nfs/dbraw/zinc/75/86/00/1025758600.db2.gz VOSBXDALMLAZHR-LBPRGKRZSA-N 0 0 331.759 3.755 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)no1 ZINC000329355909 1025776940 /nfs/dbraw/zinc/77/69/40/1025776940.db2.gz FQMBKQHUHBVRBH-QYZOEREBSA-N 0 0 347.418 3.998 10 0 EHAERN CC(C)C(=O)N1CCC(c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)CC1 ZINC000329549153 1025982142 /nfs/dbraw/zinc/98/21/42/1025982142.db2.gz BKRGXOUAGXXCEW-GOEBONIOSA-N 0 0 349.475 3.527 10 0 EHAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(C)C ZINC000103206827 1026056730 /nfs/dbraw/zinc/05/67/30/1026056730.db2.gz SHSCUPWZUNKQNF-OALUTQOASA-N 0 0 344.499 3.676 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(Br)o3)c21 ZINC000103129823 1026064474 /nfs/dbraw/zinc/06/44/74/1026064474.db2.gz AXFFXRDTGBGSMT-UHFFFAOYSA-N 0 0 347.212 3.804 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Cc3c[nH]c4ccccc34)c21 ZINC000103129918 1026065282 /nfs/dbraw/zinc/06/52/82/1026065282.db2.gz KRTPNUWNRZQGDM-UHFFFAOYSA-N 0 0 331.419 3.859 10 0 EHAERN COc1ccccc1CCN(C)C(=O)C(C)(C)c1ccccc1F ZINC000104461190 1026257931 /nfs/dbraw/zinc/25/79/31/1026257931.db2.gz MLSXUINBGTZSBJ-UHFFFAOYSA-N 0 0 329.415 3.813 10 0 EHAERN CC[C@@H](CC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)C(C)C ZINC000104381449 1026259581 /nfs/dbraw/zinc/25/95/81/1026259581.db2.gz QWGQSCZCHFQEBD-SJORKVTESA-N 0 0 332.488 3.710 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cccc(N3CCCC3=O)c2)[C@@H]2CCCC[C@H]21 ZINC000248411790 1026590971 /nfs/dbraw/zinc/59/09/71/1026590971.db2.gz DWOGOFSVTOTLTC-FHLIZLRMSA-N 0 0 341.455 3.856 10 0 EHAERN Cc1cccc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)oc21 ZINC000282002227 1026654731 /nfs/dbraw/zinc/65/47/31/1026654731.db2.gz KFUSRRJJKZXHRX-GVDBMIGSSA-N 0 0 327.424 3.897 10 0 EHAERN C[C@](O)(CCNC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000588531565 1026707518 /nfs/dbraw/zinc/70/75/18/1026707518.db2.gz KPEPUAUYVUELRK-LZVBJTEYSA-N 0 0 327.399 3.643 10 0 EHAERN CCOc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000152897051 1026798768 /nfs/dbraw/zinc/79/87/68/1026798768.db2.gz GOJSWBCKJKWGJE-KRWDZBQOSA-N 0 0 330.384 3.592 10 0 EHAERN CCOc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000152999216 1026909633 /nfs/dbraw/zinc/90/96/33/1026909633.db2.gz RKRGJBTZRQZAMV-KRWDZBQOSA-N 0 0 330.384 3.592 10 0 EHAERN Cc1ccc2c(CCNC(=O)/C=C\c3cncc(C)c3)cn(C)c2c1 ZINC000588538108 1026934628 /nfs/dbraw/zinc/93/46/28/1026934628.db2.gz ITZOKOKGMYPYFC-ALCCZGGFSA-N 0 0 333.435 3.562 10 0 EHAERN Cn1cc(-c2cccc(CNc3nccc(C(F)(F)F)n3)c2)cn1 ZINC000301883996 1026978185 /nfs/dbraw/zinc/97/81/85/1026978185.db2.gz NTKJQEAHJROSQI-UHFFFAOYSA-N 0 0 333.317 3.508 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c2ccccc21 ZINC000248706460 1027132520 /nfs/dbraw/zinc/13/25/20/1027132520.db2.gz AVZJSASESORXOY-UVDFWXMISA-N 0 0 328.456 3.882 10 0 EHAERN O=C(Nc1c(F)cccc1F)NC1CCN(c2cccs2)CC1 ZINC000128730878 1027473984 /nfs/dbraw/zinc/47/39/84/1027473984.db2.gz MCNGNVDZNRWDAZ-UHFFFAOYSA-N 0 0 337.395 3.817 10 0 EHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000046774250 1027481136 /nfs/dbraw/zinc/48/11/36/1027481136.db2.gz VNHXLWPYWYDITF-UHFFFAOYSA-N 0 0 348.874 3.641 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CC=C(c2cccs2)CC1 ZINC000129685723 1027588771 /nfs/dbraw/zinc/58/87/71/1027588771.db2.gz PMMYZFNPKBILGP-HZPDHXFCSA-N 0 0 332.469 3.504 10 0 EHAERN O=C(NCc1ccc(Cl)cn1)N1CC=C(c2ccccc2F)CC1 ZINC000130600628 1027687859 /nfs/dbraw/zinc/68/78/59/1027687859.db2.gz OBBWZRBQVOWPFX-UHFFFAOYSA-N 0 0 345.805 3.873 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(N(C)C)c(C)c3)CCO2)o1 ZINC000153403361 1027837599 /nfs/dbraw/zinc/83/75/99/1027837599.db2.gz YUTJYDOANBLSFJ-SFHVURJKSA-N 0 0 343.427 3.568 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CC/C=C/c3ccccc3)CCO2)o1 ZINC000133339060 1028019671 /nfs/dbraw/zinc/01/96/71/1028019671.db2.gz ZGMNXOKJPSRFJW-NTPDMAOXSA-N 0 0 325.408 3.982 10 0 EHAERN Cc1ccc(Br)nc1C(=O)NC/C=C\c1ccccc1 ZINC000588556954 1028031588 /nfs/dbraw/zinc/03/15/88/1028031588.db2.gz AETCMTLJTZEAHQ-YVMONPNESA-N 0 0 331.213 3.596 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccccc3C)CCO2)o1 ZINC000134191678 1028098204 /nfs/dbraw/zinc/09/82/04/1028098204.db2.gz SZCTUEXWOKILTL-LNLFQRSKSA-N 0 0 325.408 3.600 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(C)s1 ZINC000134633499 1028135023 /nfs/dbraw/zinc/13/50/23/1028135023.db2.gz MHRIXASTMBILIL-XJKSGUPXSA-N 0 0 345.468 3.684 10 0 EHAERN COC[C@H](NC(=O)N1CC=C(c2ccccc2F)CC1)c1ccco1 ZINC000135355284 1028184148 /nfs/dbraw/zinc/18/41/48/1028184148.db2.gz KBLHNECRZRSOGD-KRWDZBQOSA-N 0 0 344.386 3.605 10 0 EHAERN C[C@@H](NC(=O)Nc1ccccc1N(C)C1CCCC1)[C@H]1CCCO1 ZINC000121131436 1028259163 /nfs/dbraw/zinc/25/91/63/1028259163.db2.gz KRPNLQVZHABDJL-RDTXWAMCSA-N 0 0 331.460 3.754 10 0 EHAERN Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2n1 ZINC000067048014 1028354749 /nfs/dbraw/zinc/35/47/49/1028354749.db2.gz LYQUUCLDCWZHBU-GFCCVEGCSA-N 0 0 327.409 3.613 10 0 EHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)CCc1ccccc1 ZINC000062576087 1028450000 /nfs/dbraw/zinc/45/00/00/1028450000.db2.gz CPQKNYMGSCTLIX-UHFFFAOYSA-N 0 0 334.419 3.942 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(Cl)nc3C)CCO2)o1 ZINC000194599676 1028524674 /nfs/dbraw/zinc/52/46/74/1028524674.db2.gz CCIBCAOHRUYMHS-AWEZNQCLSA-N 0 0 335.791 3.550 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000194682527 1028533156 /nfs/dbraw/zinc/53/31/56/1028533156.db2.gz ZZJBFIFGDLPQHD-ZWNOBZJWSA-N 0 0 331.803 3.730 10 0 EHAERN CC(C)N(C(=O)CN1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000195355642 1028598907 /nfs/dbraw/zinc/59/89/07/1028598907.db2.gz IJSNTSOBVVVVBX-MRXNPFEDSA-N 0 0 343.496 3.764 10 0 EHAERN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000195353273 1028635221 /nfs/dbraw/zinc/63/52/21/1028635221.db2.gz YGYAYSPZGHGOFH-CYBMUJFWSA-N 0 0 349.887 3.923 10 0 EHAERN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195353266 1028635963 /nfs/dbraw/zinc/63/59/63/1028635963.db2.gz YGYAYSPZGHGOFH-ZDUSSCGKSA-N 0 0 349.887 3.923 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN([C@@H](C)c3nc(C(C)C)no3)C2)c1 ZINC000246580453 1028662705 /nfs/dbraw/zinc/66/27/05/1028662705.db2.gz WBWVBGBGVGNJQY-UONOGXRCSA-N 0 0 345.443 3.761 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000246802245 1028695334 /nfs/dbraw/zinc/69/53/34/1028695334.db2.gz AFDSJAIDBJOQKX-FRRDWIJNSA-N 0 0 347.821 3.712 10 0 EHAERN CC[C@H](C)[C@H](C)N(C(=O)NCC[C@H]1c2ccccc2NC1=O)C1CC1 ZINC000245429110 1028709143 /nfs/dbraw/zinc/70/91/43/1028709143.db2.gz JZZDDEPQMJGJFF-ZQIUZPCESA-N 0 0 343.471 3.721 10 0 EHAERN O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247347015 1028780160 /nfs/dbraw/zinc/78/01/60/1028780160.db2.gz JSPZDZGEHUHMLY-GLQYFDAESA-N 0 0 328.239 3.610 10 0 EHAERN CC(C)n1ncc2ccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cc21 ZINC000247632120 1028806972 /nfs/dbraw/zinc/80/69/72/1028806972.db2.gz UWRGDSJJXSVNKF-LZLYRXPVSA-N 0 0 342.443 3.696 10 0 EHAERN O=C(Nc1ccc(OC(F)F)c(F)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247622660 1028840395 /nfs/dbraw/zinc/84/03/95/1028840395.db2.gz TZIXTVQAWNUWTK-CYZMBNFOSA-N 0 0 344.333 3.506 10 0 EHAERN COc1ccc(C[C@H](C)C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000248120637 1028850092 /nfs/dbraw/zinc/85/00/92/1028850092.db2.gz UGVDOTGQOBLQQR-RKTMXUFFSA-N 0 0 335.447 3.576 10 0 EHAERN Cc1csc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1Br ZINC000248789893 1028949359 /nfs/dbraw/zinc/94/93/59/1028949359.db2.gz NNCMGDBKYSTOLE-HBNTYKKESA-N 0 0 344.274 3.506 10 0 EHAERN CCN1c2ccc(N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2CCC1=O ZINC000248893850 1028964530 /nfs/dbraw/zinc/96/45/30/1028964530.db2.gz UFFNFRCEZPPPCX-ATZDWAIDSA-N 0 0 328.456 3.601 10 0 EHAERN C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C)c1ccncc1 ZINC000076944393 1029056996 /nfs/dbraw/zinc/05/69/96/1029056996.db2.gz ZSJAREYSYBLZST-ZQIUZPCESA-N 0 0 327.403 3.869 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4cc3O)CCO2)o1 ZINC000154208174 1029057868 /nfs/dbraw/zinc/05/78/68/1029057868.db2.gz SGJXDHKMPXFTHA-IBGZPJMESA-N 0 0 337.375 3.661 10 0 EHAERN Fc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1C(F)(F)F ZINC000245740833 1029222661 /nfs/dbraw/zinc/22/26/61/1029222661.db2.gz GEXSWNCYXJMONK-KGLIPLIRSA-N 0 0 335.366 3.551 10 0 EHAERN CCSc1ccc(Cl)cc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246057392 1029613783 /nfs/dbraw/zinc/61/37/83/1029613783.db2.gz AOBFRFQODQRMEV-KCPJHIHWSA-N 0 0 339.888 3.995 10 0 EHAERN Cc1csc(C2CCN(CC(=O)Nc3cc(C)ccc3C)CC2)n1 ZINC000156740816 1029989070 /nfs/dbraw/zinc/98/90/70/1029989070.db2.gz GRIPFMQBTLLSHU-UHFFFAOYSA-N 0 0 343.496 3.886 10 0 EHAERN C[C@H](Cc1nc([C@@H]2CN3CCC[C@@]3(C)CO2)no1)C1CCCCC1 ZINC000329370421 1030540197 /nfs/dbraw/zinc/54/01/97/1030540197.db2.gz AROYFEGHYJKETN-ALKREAHSSA-N 0 0 333.476 3.754 10 0 EHAERN CCc1ccc(C2=CCN(C(=O)c3ncncc3Cl)CC2)cc1 ZINC000092993042 1030547228 /nfs/dbraw/zinc/54/72/28/1030547228.db2.gz OHXVJOOFBZOYQX-UHFFFAOYSA-N 0 0 327.815 3.622 10 0 EHAERN O=C(CCCc1nc2ccccc2[nH]1)Nc1cccc(-c2ncon2)c1 ZINC000170632325 1030689037 /nfs/dbraw/zinc/68/90/37/1030689037.db2.gz QDMOCXYPRGJQRE-UHFFFAOYSA-N 0 0 347.378 3.574 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1csc(-c2ccoc2)n1 ZINC000170980431 1030742212 /nfs/dbraw/zinc/74/22/12/1030742212.db2.gz AUDHALPXILPWDG-UHFFFAOYSA-N 0 0 338.348 3.705 10 0 EHAERN O=C(COc1ccccc1Cl)N1CCC(Cc2ccccn2)CC1 ZINC000171615588 1030767391 /nfs/dbraw/zinc/76/73/91/1030767391.db2.gz SSBQLZZXTLMGOG-UHFFFAOYSA-N 0 0 344.842 3.595 10 0 EHAERN O=C(/C=C/c1c(F)cccc1F)N1CCC[C@H](c2nccs2)C1 ZINC000171641896 1030768443 /nfs/dbraw/zinc/76/84/43/1030768443.db2.gz IAQVEJXYVIJZAR-SYTKJHMZSA-N 0 0 334.391 3.841 10 0 EHAERN CCCOc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000171641192 1030768726 /nfs/dbraw/zinc/76/87/26/1030768726.db2.gz HSSARENYWBCNBW-HNNXBMFYSA-N 0 0 330.453 3.952 10 0 EHAERN C[C@@H](C(=O)N1CC=C(c2cccs2)CC1)n1cnc2ccccc21 ZINC000172093689 1030829539 /nfs/dbraw/zinc/82/95/39/1030829539.db2.gz YHWFWYOVBAJWDB-AWEZNQCLSA-N 0 0 337.448 3.975 10 0 EHAERN O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000172091849 1030830470 /nfs/dbraw/zinc/83/04/70/1030830470.db2.gz MHSWBCXVGWMCBI-AWEZNQCLSA-N 0 0 338.436 3.553 10 0 EHAERN O=C([C@H]1CSc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000172379401 1030952820 /nfs/dbraw/zinc/95/28/20/1030952820.db2.gz JXDUQHPJOPXMMW-OCCSQVGLSA-N 0 0 330.478 3.739 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1SCCc2ccccc21 ZINC000172975796 1031038916 /nfs/dbraw/zinc/03/89/16/1031038916.db2.gz MDNOHKRKOCZWQV-MRXNPFEDSA-N 0 0 337.404 3.706 10 0 EHAERN C/C=C(\CC)C(=O)N(CCOC)Cc1sccc1Br ZINC000588586464 1031105361 /nfs/dbraw/zinc/10/53/61/1031105361.db2.gz CVEFQBXXJPLZIG-NYYWCZLTSA-N 0 0 346.290 3.842 10 0 EHAERN O=C(CC[C@@H]1CCCCO1)N1CCC(Nc2ccccc2F)CC1 ZINC000174065976 1031161353 /nfs/dbraw/zinc/16/13/53/1031161353.db2.gz LNLRHKXSMAYTFA-INIZCTEOSA-N 0 0 334.435 3.578 10 0 EHAERN O=C(Cc1cccc(F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174085829 1031163660 /nfs/dbraw/zinc/16/36/60/1031163660.db2.gz RXCXRRXIKIHTHU-UHFFFAOYSA-N 0 0 330.378 3.610 10 0 EHAERN CCn1c(C)cc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1C ZINC000174074709 1031164270 /nfs/dbraw/zinc/16/42/70/1031164270.db2.gz KWMJTMBEWXLJKR-UHFFFAOYSA-N 0 0 343.446 3.981 10 0 EHAERN O=C1NCc2cccc(NCc3ncc(-c4ccccc4Cl)o3)c21 ZINC000174299207 1031188827 /nfs/dbraw/zinc/18/88/27/1031188827.db2.gz NIGMAVGGPQLDOR-UHFFFAOYSA-N 0 0 339.782 3.851 10 0 EHAERN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCCn2ccnc21 ZINC000174954042 1031261840 /nfs/dbraw/zinc/26/18/40/1031261840.db2.gz SZRLEHUXPTYUOA-UXHICEINSA-N 0 0 345.446 3.861 10 0 EHAERN O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@@H]1CCCn2ccnc21 ZINC000175093402 1031274748 /nfs/dbraw/zinc/27/47/48/1031274748.db2.gz YLDSATHSQFRCPZ-GOSISDBHSA-N 0 0 345.402 3.630 10 0 EHAERN CC(C)CCO[C@H]1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000175185403 1031307472 /nfs/dbraw/zinc/30/74/72/1031307472.db2.gz HYYOOSJJOFVQRV-HNNXBMFYSA-N 0 0 345.443 3.623 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000176691504 1031474010 /nfs/dbraw/zinc/47/40/10/1031474010.db2.gz QIFYNTJINXXOKU-GPZRYRNASA-N 0 0 325.412 3.575 10 0 EHAERN Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3c(C)cccc3C)CCO2)o1 ZINC000158639708 1031509299 /nfs/dbraw/zinc/50/92/99/1031509299.db2.gz ZBUJLJNFHANCCB-WMZOPIPTSA-N 0 0 342.439 3.605 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CC[C@H](Cc4ccccc4)C3)nc21 ZINC000177060771 1031529584 /nfs/dbraw/zinc/52/95/84/1031529584.db2.gz DGNGDTOBBANZCX-GOSISDBHSA-N 0 0 347.462 3.895 10 0 EHAERN O=C(CCc1ccc(F)cc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000178512847 1031676020 /nfs/dbraw/zinc/67/60/20/1031676020.db2.gz GFHGOTJFRDZOAM-CYBMUJFWSA-N 0 0 336.407 3.760 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC(C)(C)C3)CC2)nc1 ZINC000178953115 1031722225 /nfs/dbraw/zinc/72/22/25/1031722225.db2.gz GQYGSMAPBBBYSE-INIZCTEOSA-N 0 0 329.488 3.691 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4ncsc4c3)CCO2)o1 ZINC000179386826 1031747056 /nfs/dbraw/zinc/74/70/56/1031747056.db2.gz HYZGOYZECJIKEA-OAHLLOKOSA-N 0 0 343.408 3.803 10 0 EHAERN Cc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)cc(C)c1F ZINC000179240925 1031760755 /nfs/dbraw/zinc/76/07/55/1031760755.db2.gz RFAJLHFUSRWQJC-UHFFFAOYSA-N 0 0 326.415 3.932 10 0 EHAERN CC(C)CC(=O)N[C@H](C(=O)N1CC=C(c2cccs2)CC1)C(C)C ZINC000117719367 1031840299 /nfs/dbraw/zinc/84/02/99/1031840299.db2.gz RQGPWKJDTAXHOB-SFHVURJKSA-N 0 0 348.512 3.551 10 0 EHAERN O=C(CSCc1ccccn1)N1CC=C(c2cccs2)CC1 ZINC000117720068 1031841369 /nfs/dbraw/zinc/84/13/69/1031841369.db2.gz STUKXDNDNXUVRF-UHFFFAOYSA-N 0 0 330.478 3.692 10 0 EHAERN CCc1noc2ncc(C(=O)N3CC=C(c4cccs4)CC3)cc12 ZINC000117723509 1031842760 /nfs/dbraw/zinc/84/27/60/1031842760.db2.gz FYIPZTHYYGUOSU-UHFFFAOYSA-N 0 0 339.420 3.776 10 0 EHAERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)cc1NC(=O)NC(C)(C)C ZINC000154431488 1031861361 /nfs/dbraw/zinc/86/13/61/1031861361.db2.gz DZQLWVJKGOAJGF-HOTGVXAUSA-N 0 0 343.471 3.787 10 0 EHAERN CC[C@H](C(=O)Nc1cccc(-c2ncon2)c1)c1ccc(OC)cc1 ZINC000180193579 1031868579 /nfs/dbraw/zinc/86/85/79/1031868579.db2.gz CCUVCDVSEYOSTE-KRWDZBQOSA-N 0 0 337.379 3.878 10 0 EHAERN CN1CCc2ccc(NC(=O)N3CCC[C@H](c4nccs4)C3)cc21 ZINC000180236338 1031871558 /nfs/dbraw/zinc/87/15/58/1031871558.db2.gz WBOLXAFLCGDMLR-AWEZNQCLSA-N 0 0 342.468 3.547 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)CCc3cccc(C)c3)CC2)nc1 ZINC000181197310 1031952553 /nfs/dbraw/zinc/95/25/53/1031952553.db2.gz TUCHAXVONNDMSH-UHFFFAOYSA-N 0 0 338.451 3.701 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)CCO2)o1 ZINC000159255158 1031979545 /nfs/dbraw/zinc/97/95/45/1031979545.db2.gz SMCQUWVYXRYXLJ-MOPGFXCFSA-N 0 0 325.408 3.682 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cnc(C(C)C)s3)CC2)nc1 ZINC000181191211 1031991964 /nfs/dbraw/zinc/99/19/64/1031991964.db2.gz XNCYBWQUXIMLOU-UHFFFAOYSA-N 0 0 345.468 3.654 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccnc(C)c3)C2)cc1 ZINC000120146646 1033396112 /nfs/dbraw/zinc/39/61/12/1033396112.db2.gz LXPZLZGDOFDREH-GOEBONIOSA-N 0 0 325.412 3.809 10 0 EHAERN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101526217 1033748858 /nfs/dbraw/zinc/74/88/58/1033748858.db2.gz YFHQQGSPKYXADJ-UHFFFAOYSA-N 0 0 329.743 3.651 10 0 EHAERN Cc1csc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000101604384 1033863591 /nfs/dbraw/zinc/86/35/91/1033863591.db2.gz CAAPGQNUDOYUTP-UHFFFAOYSA-N 0 0 346.387 3.610 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3nc(C)cs3)C2)cc1 ZINC000120821355 1034176212 /nfs/dbraw/zinc/17/62/12/1034176212.db2.gz UISGLQHLDOCDSG-TZMCWYRMSA-N 0 0 331.441 3.870 10 0 EHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000088755701 1034225540 /nfs/dbraw/zinc/22/55/40/1034225540.db2.gz MVPFYGBOAQDBKI-LSDHHAIUSA-N 0 0 347.507 3.533 10 0 EHAERN CC[C@@H](CC1CCCC1)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186427203 1035631922 /nfs/dbraw/zinc/63/19/22/1035631922.db2.gz OWONCPDJUQSTTO-SFHVURJKSA-N 0 0 329.488 3.727 10 0 EHAERN CCO[C@@H]1C[C@@H](Nc2ccccc2-n2ccc(C)n2)C12CCOCC2 ZINC000186470330 1035639560 /nfs/dbraw/zinc/63/95/60/1035639560.db2.gz QUONUSLHPNMLFX-RTBURBONSA-N 0 0 341.455 3.567 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000186345456 1035645564 /nfs/dbraw/zinc/64/55/64/1035645564.db2.gz IWYPBSSSYFBHMS-SFHVURJKSA-N 0 0 345.464 3.678 10 0 EHAERN COCC(=O)N1CCc2c1cccc2N[C@@H](C)CSC(C)(C)C ZINC000186593316 1035663437 /nfs/dbraw/zinc/66/34/37/1035663437.db2.gz HQEFLINMUCNUHT-ZDUSSCGKSA-N 0 0 336.501 3.554 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000186950162 1035727465 /nfs/dbraw/zinc/72/74/65/1035727465.db2.gz SGQHAMZMYLWTFI-INIZCTEOSA-N 0 0 347.365 3.879 10 0 EHAERN ClC(Cl)(Cl)CCN1CCSC[C@H]1c1nccs1 ZINC000187035593 1035744159 /nfs/dbraw/zinc/74/41/59/1035744159.db2.gz OFSRGCFEVAQYRI-QMMMGPOBSA-N 0 0 331.721 3.993 10 0 EHAERN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C3CCCCC3)cc21 ZINC000055973975 1035822658 /nfs/dbraw/zinc/82/26/58/1035822658.db2.gz SJAMWYJGPSKWNZ-UHFFFAOYSA-N 0 0 344.455 3.977 10 0 EHAERN O=C(NCCC1=CCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189661499 1036113887 /nfs/dbraw/zinc/11/38/87/1036113887.db2.gz BQIUEGLGBBKBLL-UHFFFAOYSA-N 0 0 326.440 3.765 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2noc(-c3ccccc3)n2)cs1 ZINC000189756928 1036137567 /nfs/dbraw/zinc/13/75/67/1036137567.db2.gz SOSJGRLQLRRNOP-HNNXBMFYSA-N 0 0 326.425 3.839 10 0 EHAERN O=C(N1CC2(CCOCC2)c2ccccc21)C1(c2ccccc2)CC1 ZINC000189814395 1036150443 /nfs/dbraw/zinc/15/04/43/1036150443.db2.gz OILFUDYSTPJSLR-UHFFFAOYSA-N 0 0 333.431 3.813 10 0 EHAERN O=C(c1cc2c(s1)CCC2)N1CC2(CCOCC2)c2ccccc21 ZINC000189824318 1036153142 /nfs/dbraw/zinc/15/31/42/1036153142.db2.gz ULBVCNAGCPSBJJ-UHFFFAOYSA-N 0 0 339.460 3.945 10 0 EHAERN CC[C@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccc(F)cc1 ZINC000190377772 1036232030 /nfs/dbraw/zinc/23/20/30/1036232030.db2.gz RBNANAKDSNAMJB-INIZCTEOSA-N 0 0 347.459 3.879 10 0 EHAERN CC(C)[C@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190380395 1036233442 /nfs/dbraw/zinc/23/34/42/1036233442.db2.gz IGQXBMHTAKLUGT-KRWDZBQOSA-N 0 0 343.496 3.986 10 0 EHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCC(Nc2nccs2)CC1 ZINC000190390934 1036234114 /nfs/dbraw/zinc/23/41/14/1036234114.db2.gz KIPQSSONJKHSRI-HOTGVXAUSA-N 0 0 333.501 3.762 10 0 EHAERN CCCn1c(C)nnc1CN1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191680600 1036407000 /nfs/dbraw/zinc/40/70/00/1036407000.db2.gz WKRPKGOKNZUKQF-AWEZNQCLSA-N 0 0 334.414 3.654 10 0 EHAERN O[C@@H](CN1CC2(CCOCC2)c2ccccc21)c1ccc(F)cc1F ZINC000192288893 1036493979 /nfs/dbraw/zinc/49/39/79/1036493979.db2.gz XQIYLEAOCKFBQL-IBGZPJMESA-N 0 0 345.389 3.567 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2c(F)cccc2F)cc1 ZINC000086191468 1036586844 /nfs/dbraw/zinc/58/68/44/1036586844.db2.gz GIBSASVXSUOILN-KRWDZBQOSA-N 0 0 346.377 3.749 10 0 EHAERN COC(=O)c1cnc(/C=C/c2ccc(OC)c(OC(F)F)c2)s1 ZINC000102598918 1036744637 /nfs/dbraw/zinc/74/46/37/1036744637.db2.gz LBUZWWNAJIKSAW-GQCTYLIASA-N 0 0 341.335 3.710 10 0 EHAERN O=C(NCCCCOCc1ccccc1)c1cc2c(s1)CCOC2 ZINC000103004725 1036797657 /nfs/dbraw/zinc/79/76/57/1036797657.db2.gz CURQAAQSVKYYAT-UHFFFAOYSA-N 0 0 345.464 3.548 10 0 EHAERN CN(C(=O)c1cccc(C(=O)N2CCCC2(C)C)c1)c1ccccc1 ZINC000104409789 1037035980 /nfs/dbraw/zinc/03/59/80/1037035980.db2.gz MVZQQHBQVXCIDL-UHFFFAOYSA-N 0 0 336.435 3.978 10 0 EHAERN CC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)s1 ZINC000104423989 1037036953 /nfs/dbraw/zinc/03/69/53/1037036953.db2.gz YSLGLSKOGZGNED-GOSISDBHSA-N 0 0 342.464 3.655 10 0 EHAERN FC(F)(F)Oc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000105606403 1037220496 /nfs/dbraw/zinc/22/04/96/1037220496.db2.gz AROZOYNRJLVBBA-UHFFFAOYSA-N 0 0 325.246 3.840 10 0 EHAERN CC(C)(C)c1noc(CCC(=O)N[C@@H](c2ccccc2)C2CCC2)n1 ZINC000104422401 1037284766 /nfs/dbraw/zinc/28/47/66/1037284766.db2.gz XTIRGVDWKUIONY-SFHVURJKSA-N 0 0 341.455 3.957 10 0 EHAERN CC(C)(CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)Cc1ccccc1 ZINC000126564135 1037370451 /nfs/dbraw/zinc/37/04/51/1037370451.db2.gz YGTZJKNSFJTTDE-WIYYLYMNSA-N 0 0 344.499 3.592 10 0 EHAERN CSC[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217741 1037780461 /nfs/dbraw/zinc/78/04/61/1037780461.db2.gz WRTBZOPAMGUWFU-GOEBONIOSA-N 0 0 343.496 3.782 10 0 EHAERN Cn1cc([C@H]2CCN(C(=O)N[C@H](c3cccs3)C(C)(C)C)C2)cn1 ZINC000116533560 1037838708 /nfs/dbraw/zinc/83/87/08/1037838708.db2.gz KNWAMGLLNYPNCY-XJKSGUPXSA-N 0 0 346.500 3.768 10 0 EHAERN FC(F)(F)Cn1ccnc1CN1CC=C(c2cccs2)CC1 ZINC000117895609 1037863840 /nfs/dbraw/zinc/86/38/40/1037863840.db2.gz YTZWPWUJETYKAF-UHFFFAOYSA-N 0 0 327.375 3.796 10 0 EHAERN CC[C@@H](NC(=O)NC[C@@H]1CCCn2cc(C)nc21)c1cccs1 ZINC000332689488 1037949606 /nfs/dbraw/zinc/94/96/06/1037949606.db2.gz QWNCFKVAMSKNNB-UONOGXRCSA-N 0 0 332.473 3.581 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H](C(C)C)CC1)CCC2 ZINC000332718578 1037949673 /nfs/dbraw/zinc/94/96/73/1037949673.db2.gz VJYMZXKCCVTGNL-IAGOWNOFSA-N 0 0 332.492 3.537 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@H](CC(C)C)C1)CCC2 ZINC000332708213 1037950181 /nfs/dbraw/zinc/95/01/81/1037950181.db2.gz JLNKOQMYWWMWIN-IAGOWNOFSA-N 0 0 332.492 3.537 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@H]1c1ccccc1)CCC2 ZINC000332719202 1037951448 /nfs/dbraw/zinc/95/14/48/1037951448.db2.gz WEEIKLDLQHZZON-MSOLQXFVSA-N 0 0 338.455 3.616 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCO[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000332760848 1037953203 /nfs/dbraw/zinc/95/32/03/1037953203.db2.gz YJHUDNDVIVEKRJ-NZVBXONLSA-N 0 0 342.361 3.633 10 0 EHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@H]2CCC[C@H]21 ZINC000330179334 1037959696 /nfs/dbraw/zinc/95/96/96/1037959696.db2.gz FHQINVZIJBEJLZ-BXUZGUMPSA-N 0 0 331.803 3.823 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)c3c(F)cccc3F)CCO2)o1 ZINC000124721747 1038226032 /nfs/dbraw/zinc/22/60/32/1038226032.db2.gz KODTZQWXKMGTRJ-BLLLJJGKSA-N 0 0 335.350 3.570 10 0 EHAERN O=C(NCCc1ccccn1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000043440274 1038321283 /nfs/dbraw/zinc/32/12/83/1038321283.db2.gz WVYNNJZXISKTGB-UHFFFAOYSA-N 0 0 349.438 3.522 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1c(Cl)ccc(C)c1C ZINC000408399286 1038840339 /nfs/dbraw/zinc/84/03/39/1038840339.db2.gz GKIBKMJWFNWETQ-CYBMUJFWSA-N 0 0 333.823 3.513 10 0 EHAERN CC1(C)[C@H](NC(=O)NCc2cc(Cl)sc2Cl)[C@H]2CCO[C@H]21 ZINC000408084441 1039053968 /nfs/dbraw/zinc/05/39/68/1039053968.db2.gz PTYJEWMPRPZCES-FBIMIBRVSA-N 0 0 349.283 3.668 10 0 EHAERN CC(=O)N(Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1)C1CC1 ZINC000330225393 1039087914 /nfs/dbraw/zinc/08/79/14/1039087914.db2.gz BCMLVKHKHNIUKX-QFBILLFUSA-N 0 0 341.455 3.604 10 0 EHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2nc(C)c(C)s2)o1 ZINC000408402384 1039127781 /nfs/dbraw/zinc/12/77/81/1039127781.db2.gz ICDPLTMKOAQSPO-CYBMUJFWSA-N 0 0 340.470 3.577 10 0 EHAERN CS(=O)(=O)c1ccsc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245883937 1039211573 /nfs/dbraw/zinc/21/15/73/1039211573.db2.gz IJHMEMKECRTKDT-FRRDWIJNSA-N 0 0 341.498 3.697 10 0 EHAERN Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000247771030 1039771158 /nfs/dbraw/zinc/77/11/58/1039771158.db2.gz PEFXVDSUEXDQFS-RHSMWYFYSA-N 0 0 346.862 3.509 10 0 EHAERN Cn1nccc1C1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000151404194 1040075543 /nfs/dbraw/zinc/07/55/43/1040075543.db2.gz INRAXJMEEUSHRZ-UHFFFAOYSA-N 0 0 338.455 3.710 10 0 EHAERN CC(C)c1nc(C2(NC(=O)C3CCC(F)(F)CC3)CCCC2)no1 ZINC000119789051 1040225116 /nfs/dbraw/zinc/22/51/16/1040225116.db2.gz HYVGHIDYOHUDNB-UHFFFAOYSA-N 0 0 341.402 3.904 10 0 EHAERN O=C(N[C@H](c1cccs1)C1CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332975603 1040605524 /nfs/dbraw/zinc/60/55/24/1040605524.db2.gz ULUSAZJDWYQBPL-HFTRVMKXSA-N 0 0 334.485 3.536 10 0 EHAERN Cc1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1C(=O)N(C)C ZINC000408442753 1040752235 /nfs/dbraw/zinc/75/22/35/1040752235.db2.gz LZZGVSDOXRTDPP-UHFFFAOYSA-N 0 0 331.460 3.741 10 0 EHAERN CC1(C)CC[C@@H]2C[C@H](NC(=O)N3CC[C@H](CCO)C3)c3cccc1c32 ZINC000408120383 1041724498 /nfs/dbraw/zinc/72/44/98/1041724498.db2.gz GICYDICWFTVTTM-RKVPGOIHSA-N 0 0 342.483 3.700 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408151477 1041871104 /nfs/dbraw/zinc/87/11/04/1041871104.db2.gz QODKEULDRLXASI-HZPDHXFCSA-N 0 0 346.814 3.779 10 0 EHAERN CN(C(=O)c1cnc2c(c1)ncn2C)C1CCC(C(C)(C)C)CC1 ZINC000408152169 1041877323 /nfs/dbraw/zinc/87/73/23/1041877323.db2.gz WUOLETJGYKOFLR-UHFFFAOYSA-N 0 0 328.460 3.645 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000408175306 1042119085 /nfs/dbraw/zinc/11/90/85/1042119085.db2.gz RWMNIJOKJOVHBH-PZSREKOKSA-N 0 0 333.407 3.827 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408221272 1042700943 /nfs/dbraw/zinc/70/09/43/1042700943.db2.gz FPOLUFKJLZKZLK-ABSDTBQOSA-N 0 0 330.472 3.701 10 0 EHAERN CC[C@H](N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(OC)cc1 ZINC000162534097 1042733670 /nfs/dbraw/zinc/73/36/70/1042733670.db2.gz BSHGCAJJRVLDKJ-OALUTQOASA-N 0 0 336.439 3.952 10 0 EHAERN COc1ccc(C)cc1[C@@H](C)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162537772 1042737226 /nfs/dbraw/zinc/73/72/26/1042737226.db2.gz USEKJQVFTCTYKS-KUHUBIRLSA-N 0 0 336.439 3.870 10 0 EHAERN CC[C@H](N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1OC ZINC000162622221 1042740782 /nfs/dbraw/zinc/74/07/82/1042740782.db2.gz HBIPQPZMYKAVSH-HKUYNNGSSA-N 0 0 336.439 3.952 10 0 EHAERN Cc1ccccc1[C@H](C)CC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162613318 1042743004 /nfs/dbraw/zinc/74/30/04/1042743004.db2.gz OUJRWRPUQKGLSH-QGZVFWFLSA-N 0 0 339.483 3.703 10 0 EHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330290532 1042831632 /nfs/dbraw/zinc/83/16/32/1042831632.db2.gz CJSJEBRJCCEOQJ-KDOFPFPSSA-N 0 0 338.455 3.904 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC([C@@H]2CCCO2)CC1 ZINC000408254199 1042870514 /nfs/dbraw/zinc/87/05/14/1042870514.db2.gz BVAPAQHCNGMSTK-ZDUSSCGKSA-N 0 0 344.242 3.811 10 0 EHAERN CCC1(CC)CCC(NC(=O)N2CCC[C@H]2c2noc(C)n2)CC1 ZINC000408297520 1042990715 /nfs/dbraw/zinc/99/07/15/1042990715.db2.gz ILTUTXBOVGHKGZ-HNNXBMFYSA-N 0 0 334.464 3.974 10 0 EHAERN O=C(Nc1cccc(Br)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247433381 1043035766 /nfs/dbraw/zinc/03/57/66/1043035766.db2.gz NWCKRVDNBYOZHO-MJBXVCDLSA-N 0 0 339.233 3.528 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000162873575 1043819887 /nfs/dbraw/zinc/81/98/87/1043819887.db2.gz ODYRMEGILRPLBI-KGLIPLIRSA-N 0 0 341.317 3.757 10 0 EHAERN O=C(N[C@H]1CCc2c1cccc2O)N1CCCC[C@@H]1c1nccs1 ZINC000267091608 1127217007 /nfs/dbraw/zinc/21/70/07/1127217007.db2.gz USQKAMSUKVVCDH-LSDHHAIUSA-N 0 0 343.452 3.773 10 0 EHAERN CC(C)(C)NC(=O)CSCc1csc(Cc2ccccc2)n1 ZINC000105628950 1127989062 /nfs/dbraw/zinc/98/90/62/1127989062.db2.gz RBWBHVOLIRGLFO-UHFFFAOYSA-N 0 0 334.510 3.882 10 0 EHAERN Cc1nc(C)c(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)s1 ZINC000268125302 1128445025 /nfs/dbraw/zinc/44/50/25/1128445025.db2.gz CWIRWCFVSKFXRA-LLVKDONJSA-N 0 0 335.433 3.635 10 0 EHAERN CC(C)(C)NC(=O)CSCc1cccc(OCC(F)(F)F)c1 ZINC000105633374 1128470451 /nfs/dbraw/zinc/47/04/51/1128470451.db2.gz VAESRJHYCGKCDZ-UHFFFAOYSA-N 0 0 335.391 3.776 10 0 EHAERN CC1(C)Cc2cc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc2O1 ZINC000268944975 1128729280 /nfs/dbraw/zinc/72/92/80/1128729280.db2.gz AZWDNMTZYZVKGB-FOIQADDNSA-N 0 0 344.455 3.559 10 0 EHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3nc(C)c(C)nc3C)nc2c1 ZINC000185333071 1131546692 /nfs/dbraw/zinc/54/66/92/1131546692.db2.gz HZKGYVWZDUSKSQ-KRWDZBQOSA-N 0 0 349.438 3.564 10 0 EHAERN CCCCS[C@@H](C)C(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000103818967 1133599501 /nfs/dbraw/zinc/59/95/01/1133599501.db2.gz LKENYGRIQTUIIT-HNNXBMFYSA-N 0 0 349.500 3.744 10 0 EHAERN CCOc1ccc(NS(=O)(=O)c2cccc3ncccc32)c(C)c1 ZINC000102320023 1135522027 /nfs/dbraw/zinc/52/20/27/1135522027.db2.gz FUWGPRWANGJWRK-UHFFFAOYSA-N 0 0 342.420 3.743 10 0 EHAERN CCCCOc1ccccc1COC(=O)CCn1c(C)csc1=O ZINC000103675284 1137471065 /nfs/dbraw/zinc/47/10/65/1137471065.db2.gz QDSRQIXUBKYRIC-UHFFFAOYSA-N 0 0 349.452 3.531 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000102378971 1137872915 /nfs/dbraw/zinc/87/29/15/1137872915.db2.gz FWMPEVCVOMUOKB-UHFFFAOYSA-N 0 0 344.842 3.839 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCc1cc(F)ccc1F ZINC000105285286 1137880670 /nfs/dbraw/zinc/88/06/70/1137880670.db2.gz BDQFTXQHGDUEAI-UHFFFAOYSA-N 0 0 333.382 3.524 10 0 EHAERN Cc1cnc(-c2noc([C@H]3C4CCC(CC4)[C@@H]3C(F)(F)F)n2)nc1 ZINC000333463582 1138293707 /nfs/dbraw/zinc/29/37/07/1138293707.db2.gz HAWFYGAWNAFCSV-QQFIATSDSA-N 0 0 338.333 3.917 10 0 EHAERN C[C@H]1C[C@H](c2noc([C@@H]3COCCN3CC(F)(F)F)n2)C[C@@H](C)C1 ZINC000333707035 1138323162 /nfs/dbraw/zinc/32/31/62/1138323162.db2.gz RQZJFCOEEUDMJV-LOWDOPEQSA-N 0 0 347.381 3.545 10 0 EHAERN C[C@@H]1C[C@H](c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)CC(C)(C)C1 ZINC000333726070 1138326199 /nfs/dbraw/zinc/32/61/99/1138326199.db2.gz ORTRTJYKLCWHRZ-FXUDXRNXSA-N 0 0 333.476 3.925 10 0 EHAERN C[C@H]1CC(CNC(=O)Nc2cn(C)nc2C2CCCCC2)C[C@H](C)O1 ZINC000333746799 1138328092 /nfs/dbraw/zinc/32/80/92/1138328092.db2.gz YWCOTNWXEPADHS-KBPBESRZSA-N 0 0 348.491 3.793 10 0 EHAERN CC1(C)CC=C(c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)CC1 ZINC000333839216 1138337484 /nfs/dbraw/zinc/33/74/84/1138337484.db2.gz NAOBSCHZPZOYMI-HNNXBMFYSA-N 0 0 329.444 3.779 10 0 EHAERN CCc1noc2ncc(C(=O)N3CCC[C@H]3c3csc(C)n3)cc12 ZINC000187019597 1140233182 /nfs/dbraw/zinc/23/31/82/1140233182.db2.gz JQJZNBXWRRWQFH-HNNXBMFYSA-N 0 0 342.424 3.527 10 0 EHAERN COC(=O)[C@H]1CCN(C(=O)c2oc3c(cccc3Cl)c2C)C[C@@H]1C ZINC000187969471 1140278217 /nfs/dbraw/zinc/27/82/17/1140278217.db2.gz YMYZPWOFCYUXNA-JQWIXIFHSA-N 0 0 349.814 3.666 10 0 EHAERN COc1cc(OC)c(CN2CCC[C@H]2c2csc(C)n2)c(OC)c1 ZINC000189935050 1140372287 /nfs/dbraw/zinc/37/22/87/1140372287.db2.gz QWHCBKBDWBHUMS-INIZCTEOSA-N 0 0 348.468 3.814 10 0 EHAERN CCCNc1ncc(Br)cc1C(=O)N(CC)C(C)C ZINC000050747600 214068242 /nfs/dbraw/zinc/06/82/42/214068242.db2.gz HOWBTOIIKXVLMM-UHFFFAOYSA-N 0 0 328.254 3.537 10 0 EHAERN Nc1ccccc1[C@H](O)COc1ccc(Br)cc1Cl ZINC000051327915 214088424 /nfs/dbraw/zinc/08/84/24/214088424.db2.gz GLKMZBCDGSXHLB-CYBMUJFWSA-N 0 0 342.620 3.797 10 0 EHAERN CCn1cc(CN(Cc2coc3ccccc3c2=O)CC(C)C)cn1 ZINC000055384509 214315743 /nfs/dbraw/zinc/31/57/43/214315743.db2.gz YFTYQASVIKTWBP-UHFFFAOYSA-N 0 0 339.439 3.668 10 0 EHAERN CN(Cc1ccc(I)cc1)C(=O)OC(C)(C)C ZINC000098181433 219086616 /nfs/dbraw/zinc/08/66/16/219086616.db2.gz UQJLVALLUYIDLO-UHFFFAOYSA-N 0 0 347.196 3.658 10 0 EHAERN O[C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000100279958 219095787 /nfs/dbraw/zinc/09/57/87/219095787.db2.gz GFEWKJPABDLQJE-IYBDPMFKSA-N 0 0 339.414 3.939 10 0 EHAERN CC(=O)c1cccc(OCC(=O)c2ccc(Br)s2)c1 ZINC000048403313 213936883 /nfs/dbraw/zinc/93/68/83/213936883.db2.gz OFWXXQDWLCCFNZ-UHFFFAOYSA-N 0 0 339.210 3.975 10 0 EHAERN COc1cc(C=O)cc(Oc2ccc3c(C)cc(=O)oc3c2)c1OC ZINC000004227117 210147386 /nfs/dbraw/zinc/14/73/86/210147386.db2.gz MSVCDFHXCZXXMO-UHFFFAOYSA-N 0 0 340.331 3.723 10 0 EHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-n1cccn1 ZINC000045062991 213705115 /nfs/dbraw/zinc/70/51/15/213705115.db2.gz XVZGHMDZPOKTLT-STQMWFEESA-N 0 0 337.345 3.723 10 0 EHAERN CC[C@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)C1CCC1 ZINC000102846732 219235094 /nfs/dbraw/zinc/23/50/94/219235094.db2.gz NHQFQRBBWIWHNJ-AWEZNQCLSA-N 0 0 327.428 3.706 10 0 EHAERN COCCc1ccc([C@@H](O)c2sccc2Br)cc1 ZINC000104285778 219370708 /nfs/dbraw/zinc/37/07/08/219370708.db2.gz HBLSCLSJWIJCNC-CYBMUJFWSA-N 0 0 327.243 3.781 10 0 EHAERN C[C@@H]1Cc2cc(N)ccc2N1C(=O)c1sccc1Br ZINC000104295242 219372080 /nfs/dbraw/zinc/37/20/80/219372080.db2.gz ZXMNOFFCWSTLJQ-MRVPVSSYSA-N 0 0 337.242 3.684 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040800188 213388136 /nfs/dbraw/zinc/38/81/36/213388136.db2.gz KMKIIHOOMZEGRZ-UHFFFAOYSA-N 0 0 344.321 3.882 10 0 EHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1cc(F)ccc1F ZINC000040779576 213385889 /nfs/dbraw/zinc/38/58/89/213385889.db2.gz QGPNJKJJCOUSIA-UHFFFAOYSA-N 0 0 348.744 3.873 10 0 EHAERN Cc1ccc2c(cccc2Nc2ncnc(Nc3cccnc3)c2N)n1 ZINC000040759894 213384954 /nfs/dbraw/zinc/38/49/54/213384954.db2.gz VZXYITCWTUWUIY-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040758188 213383741 /nfs/dbraw/zinc/38/37/41/213383741.db2.gz MYZRRAUWLYKUNE-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN Cc1ccc2cccc(Nc3ncnc(NCc4ccco4)c3N)c2n1 ZINC000040758562 213383319 /nfs/dbraw/zinc/38/33/19/213383319.db2.gz LZDIEYDNBGTYGT-UHFFFAOYSA-N 0 0 346.394 3.864 10 0 EHAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2nccs2)c1N ZINC000040703280 213372012 /nfs/dbraw/zinc/37/20/12/213372012.db2.gz KWKQCVGXDYWHED-UHFFFAOYSA-N 0 0 332.820 3.964 10 0 EHAERN CCCCNc1ncnc(Oc2ccc(Br)cc2)c1N ZINC000040706773 213371755 /nfs/dbraw/zinc/37/17/55/213371755.db2.gz IPJRHJGPPJRPQM-UHFFFAOYSA-N 0 0 337.221 3.826 10 0 EHAERN COc1cccc(C(=O)NCc2nc3ccccc3n2CC(C)C)c1 ZINC000040278173 213286740 /nfs/dbraw/zinc/28/67/40/213286740.db2.gz JTMUELZTTMPQJM-UHFFFAOYSA-N 0 0 337.423 3.631 10 0 EHAERN CCCNC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000040180304 213280950 /nfs/dbraw/zinc/28/09/50/213280950.db2.gz GDTIOKHIGMTFPX-UHFFFAOYSA-N 0 0 340.814 3.728 10 0 EHAERN CCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)nc1C1CCCC1 ZINC000039954914 213244968 /nfs/dbraw/zinc/24/49/68/213244968.db2.gz SEJGNVJUOJNOII-UHFFFAOYSA-N 0 0 333.819 3.942 10 0 EHAERN COC(=O)c1c(NC(C)(C)C)oc(-c2ccccc2)c1C(=O)OC ZINC000039126698 213232065 /nfs/dbraw/zinc/23/20/65/213232065.db2.gz QLMMMMPNMNAGQX-UHFFFAOYSA-N 0 0 331.368 3.730 10 0 EHAERN COc1ccc([C@@H](CSCc2ccc(C)cc2)[NH2+]CC(=O)[O-])cc1 ZINC000038330380 213208179 /nfs/dbraw/zinc/20/81/79/213208179.db2.gz ICPLHYCPYMMWAH-GOSISDBHSA-N 0 0 345.464 3.652 10 0 EHAERN COc1cc(Cl)c(NC(=O)c2cccnc2Cl)cc1OC ZINC000037979855 213180771 /nfs/dbraw/zinc/18/07/71/213180771.db2.gz QOFWWOIZANQNEZ-UHFFFAOYSA-N 0 0 327.167 3.658 10 0 EHAERN C[C@@](NC1CCCCC1)(C(N)=O)c1cc(F)c(Cl)cc1Cl ZINC000037971526 213177827 /nfs/dbraw/zinc/17/78/27/213177827.db2.gz ZIMRMCZOLQWNLE-HNNXBMFYSA-N 0 0 333.234 3.755 10 0 EHAERN NC(=O)C1(Nc2ccc(Br)cc2)CCCCCCC1 ZINC000037944305 213174834 /nfs/dbraw/zinc/17/48/34/213174834.db2.gz HSZNVQVTUYJZQA-UHFFFAOYSA-N 0 0 325.250 3.829 10 0 EHAERN C[C@](Nc1ccc(Br)cc1)(C(N)=O)C1CCCCC1 ZINC000037944359 213174871 /nfs/dbraw/zinc/17/48/71/213174871.db2.gz NARLZGLGZZQJRW-OAHLLOKOSA-N 0 0 325.250 3.685 10 0 EHAERN CCC(CC)N(CC(F)(F)F)C(=O)c1cc(Br)c[nH]1 ZINC000037845440 213170413 /nfs/dbraw/zinc/17/04/13/213170413.db2.gz MQVIKDBHHWHROR-UHFFFAOYSA-N 0 0 341.171 3.970 10 0 EHAERN COc1ccc(Oc2c(C)oc3cc(OC(C)=O)ccc3c2=O)cc1 ZINC000000489843 209633724 /nfs/dbraw/zinc/63/37/24/209633724.db2.gz VFWIPQJHGRIITJ-UHFFFAOYSA-N 0 0 340.331 3.828 10 0 EHAERN Clc1nsnc1Nc1ccc(I)cc1 ZINC000037372097 213141867 /nfs/dbraw/zinc/14/18/67/213141867.db2.gz PGHDKGCYOVTOSD-UHFFFAOYSA-N 0 0 337.573 3.540 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000036859864 213123551 /nfs/dbraw/zinc/12/35/51/213123551.db2.gz GWYLBEVDONCJEN-AAEUAGOBSA-N 0 0 327.266 3.969 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000035143603 213010379 /nfs/dbraw/zinc/01/03/79/213010379.db2.gz VFQVBCIQIYEDFZ-UHFFFAOYSA-N 0 0 325.799 3.540 10 0 EHAERN CCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000032961102 212881568 /nfs/dbraw/zinc/88/15/68/212881568.db2.gz JRNMHDBWYDBVGN-UHFFFAOYSA-N 0 0 325.393 3.897 10 0 EHAERN COc1cc(Br)c(C(=O)c2cccs2)cc1OC ZINC000035369057 213022787 /nfs/dbraw/zinc/02/27/87/213022787.db2.gz CRYIOVVOZGNZTB-UHFFFAOYSA-N 0 0 327.199 3.759 10 0 EHAERN C[C@H](CCc1ccco1)Nc1nc(C2CCCC2)nc2c1CNC2 ZINC000072139137 216025920 /nfs/dbraw/zinc/02/59/20/216025920.db2.gz IUIFUZWPYBWOQB-CYBMUJFWSA-N 0 0 326.444 3.764 10 0 EHAERN Nc1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000072237496 216076803 /nfs/dbraw/zinc/07/68/03/216076803.db2.gz XZKGJNRPFKXGBT-UHFFFAOYSA-N 0 0 334.301 3.652 10 0 EHAERN CCOC(=O)c1sc2nc(C)nc(Nc3cccc(O)c3)c2c1C ZINC000072260928 216085944 /nfs/dbraw/zinc/08/59/44/216085944.db2.gz PUFALHVTJNWCHE-UHFFFAOYSA-N 0 0 343.408 3.934 10 0 EHAERN C[C@@H]1CN(c2nc3ccccc3c(Nc3ccccc3)n2)C[C@H](C)O1 ZINC000072260477 216086120 /nfs/dbraw/zinc/08/61/20/216086120.db2.gz AGUOVRYQAZGLPK-GASCZTMLSA-N 0 0 334.423 3.987 10 0 EHAERN Cc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2n1-c1cccc(C)c1 ZINC000000216307 209489885 /nfs/dbraw/zinc/48/98/85/209489885.db2.gz GVMBLWJAOCARIF-GOSISDBHSA-N 0 0 349.434 3.551 10 0 EHAERN CC[C@H]1c2cccn2CCN1C(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000072407414 216198301 /nfs/dbraw/zinc/19/83/01/216198301.db2.gz XBFSDIPAMPXEJI-INIZCTEOSA-N 0 0 338.386 3.624 10 0 EHAERN Nc1nc2ncncc2cc1-c1c(Cl)cccc1Br ZINC000027301781 212551928 /nfs/dbraw/zinc/55/19/28/212551928.db2.gz JKBHYDVAGSEMTJ-UHFFFAOYSA-N 0 0 335.592 3.690 10 0 EHAERN CCOC(=O)[C@](C)(N[C@@H](C)CC)c1ccccc1Br ZINC000038067713 213199453 /nfs/dbraw/zinc/19/94/53/213199453.db2.gz NDHNQXKSDJLWKY-XHDPSFHLSA-N 0 0 328.250 3.616 10 0 EHAERN O=C(N[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000196134184 241036054 /nfs/dbraw/zinc/03/60/54/241036054.db2.gz WEAARGOMUYPMNN-UXHICEINSA-N 0 0 342.398 3.573 10 0 EHAERN CC(=O)Nc1cc2cc(Br)ccc2c(N2CCCCC2)n1 ZINC000211744210 241083962 /nfs/dbraw/zinc/08/39/62/241083962.db2.gz VQHZGZXWBGPPPF-UHFFFAOYSA-N 0 0 348.244 3.946 10 0 EHAERN COc1ccc(-c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)o2)c(N)c1 ZINC000226301314 242096743 /nfs/dbraw/zinc/09/67/43/242096743.db2.gz KWOMYFFWICUVDS-STQMWFEESA-N 0 0 328.412 3.656 10 0 EHAERN Cc1ccc(Cl)cc1NC(=O)CN1c2ccccc2CCCC1=O ZINC000020532588 212144708 /nfs/dbraw/zinc/14/47/08/212144708.db2.gz XZHXWSLGXRTFPZ-UHFFFAOYSA-N 0 0 342.826 3.956 10 0 EHAERN C=C1C(Nc2cc(F)ccc2F)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465500 212134360 /nfs/dbraw/zinc/13/43/60/212134360.db2.gz MAHCDACXTCDDRR-UHFFFAOYSA-N 0 0 348.374 3.858 10 0 EHAERN CCc1sc2ncnc(N(C)CCO)c2c1-c1ccc(C)c(C)c1 ZINC000020318655 212118651 /nfs/dbraw/zinc/11/86/51/212118651.db2.gz ZIJMIFGKVUROHQ-UHFFFAOYSA-N 0 0 341.480 3.966 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)Cc1ccc(Br)cc1 ZINC000019874438 212078918 /nfs/dbraw/zinc/07/89/18/212078918.db2.gz XOYCBIGKWSBTAY-UHFFFAOYSA-N 0 0 345.240 3.553 10 0 EHAERN Nc1ccccc1SCC(=O)Nc1ccccc1Br ZINC000019473540 212030821 /nfs/dbraw/zinc/03/08/21/212030821.db2.gz BKHXYYFWDAXBOV-UHFFFAOYSA-N 0 0 337.242 3.762 10 0 EHAERN Nc1ccc(F)c(NC(=O)c2cc(Br)ccc2F)c1 ZINC000019475499 212030875 /nfs/dbraw/zinc/03/08/75/212030875.db2.gz GJXUHHMSRHTLQO-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN CCCc1ccc2oc(C(=O)NCCn3ccnc3C)c(C)c2c1 ZINC000019146700 212001776 /nfs/dbraw/zinc/00/17/76/212001776.db2.gz QCFFYAQSPJOBOY-UHFFFAOYSA-N 0 0 325.412 3.629 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C)c1ccccc1Br ZINC000078519847 217067532 /nfs/dbraw/zinc/06/75/32/217067532.db2.gz CJWCIVOJDVZNAD-MJVIPROJSA-N 0 0 325.250 3.998 10 0 EHAERN COC(=O)c1sc2ncnc(Nc3cc(C)ccc3OC)c2c1C ZINC000012084646 211288700 /nfs/dbraw/zinc/28/87/00/211288700.db2.gz DJCCXOOQWWRVQN-UHFFFAOYSA-N 0 0 343.408 3.847 10 0 EHAERN COc1ncnc2sc3c(ccc(Br)c3OC)c21 ZINC000009880432 211130138 /nfs/dbraw/zinc/13/01/38/211130138.db2.gz USNTVJFXTRAEKK-UHFFFAOYSA-N 0 0 325.187 3.624 10 0 EHAERN CC(=O)c1nc2ccccc2n1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095082690 218274395 /nfs/dbraw/zinc/27/43/95/218274395.db2.gz FPVMTSIUOAKAKF-CQSZACIVSA-N 0 0 343.427 3.811 10 0 EHAERN O=c1nc(-c2ccccc2)cc(-c2cccc(Br)c2)[nH]1 ZINC000095080287 218274532 /nfs/dbraw/zinc/27/45/32/218274532.db2.gz CZHNHUWVZANKOA-UHFFFAOYSA-N 0 0 327.181 3.866 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](COc2nc3ccccc3s2)C1 ZINC000095084120 218275946 /nfs/dbraw/zinc/27/59/46/218275946.db2.gz RMFJXABRSZOTKB-GFCCVEGCSA-N 0 0 334.441 3.932 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nc2ccccc2[nH]1 ZINC000095086478 218277261 /nfs/dbraw/zinc/27/72/61/218277261.db2.gz WAJOKHGNKLTKMF-CYBMUJFWSA-N 0 0 330.432 3.764 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nccc(Cl)n1 ZINC000095086336 218277375 /nfs/dbraw/zinc/27/73/75/218277375.db2.gz PJMQPKPDCRSUCC-GFCCVEGCSA-N 0 0 341.839 3.689 10 0 EHAERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095087144 218278226 /nfs/dbraw/zinc/27/82/26/218278226.db2.gz DCQLIUSAPOUALL-LBPRGKRZSA-N 0 0 333.457 3.790 10 0 EHAERN Cc1nccnc1OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095090597 218280114 /nfs/dbraw/zinc/28/01/14/218280114.db2.gz SQJFVOROEPLJCP-HNNXBMFYSA-N 0 0 335.448 3.734 10 0 EHAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nsc2ccccc21 ZINC000095090924 218280256 /nfs/dbraw/zinc/28/02/56/218280256.db2.gz RWNFWESCUXKMME-GFCCVEGCSA-N 0 0 333.457 3.742 10 0 EHAERN CC1CCN(C(=O)CSc2ccc(-c3cccs3)nn2)CC1 ZINC000006858800 210730037 /nfs/dbraw/zinc/73/00/37/210730037.db2.gz GGUCNBNTXHDWNE-UHFFFAOYSA-N 0 0 333.482 3.556 10 0 EHAERN C[C@@H](NC(=O)c1nnc(Cc2ccccc2Cl)o1)c1ccccc1 ZINC000006822426 210723338 /nfs/dbraw/zinc/72/33/38/210723338.db2.gz HERQOKDYSFMRMY-GFCCVEGCSA-N 0 0 341.798 3.805 10 0 EHAERN COc1cc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000006377739 210624969 /nfs/dbraw/zinc/62/49/69/210624969.db2.gz ORMSOWBVHBBTAV-QPJJXVBHSA-N 0 0 349.333 3.643 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1ccncc1Cl)CCCC2 ZINC000328625661 258032872 /nfs/dbraw/zinc/03/28/72/258032872.db2.gz DKCYIQYIXXMBIL-KRWDZBQOSA-N 0 0 330.863 3.684 10 0 EHAERN COCCn1cc(N[C@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000037305471 522110591 /nfs/dbraw/zinc/11/05/91/522110591.db2.gz OTRWVVXZCSMTDQ-SNVBAGLBSA-N 0 0 342.212 3.604 10 0 EHAERN CC(=O)N1CCc2c(c(-c3ccccc3)nn2Cc2ccccc2)C1 ZINC000167259286 526668748 /nfs/dbraw/zinc/66/87/48/526668748.db2.gz FDEHHMPRTBHHKO-UHFFFAOYSA-N 0 0 331.419 3.503 10 0 EHAERN O=C(Cc1csc(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041109397 527332502 /nfs/dbraw/zinc/33/25/02/527332502.db2.gz JZQUKFWFJAWYHQ-DLBZAZTESA-N 0 0 342.464 3.523 10 0 EHAERN COc1ccccc1-c1cc(C(F)(F)F)nc(Br)n1 ZINC000217029133 536970681 /nfs/dbraw/zinc/97/06/81/536970681.db2.gz JTVJUMWWSDLFJH-UHFFFAOYSA-N 0 0 333.107 3.934 10 0 EHAERN CCCC(=O)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135774 563745652 /nfs/dbraw/zinc/74/56/52/563745652.db2.gz SBHLRXQNLDRESH-HNNXBMFYSA-N 0 0 327.403 3.789 10 0 EHAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000724113330 563963497 /nfs/dbraw/zinc/96/34/97/563963497.db2.gz YFXQIPAYSBDXNV-UGSOOPFHSA-N 0 0 336.501 3.804 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1ccc3c[nH]nc3c1)CCCC2 ZINC000275589271 564009543 /nfs/dbraw/zinc/00/95/43/564009543.db2.gz PPLLNLHIKKINGO-IBGZPJMESA-N 0 0 335.455 3.512 10 0 EHAERN CCN(CC)C(=O)c1cc(NC(=O)C(C)C)cc2nc(C)ccc21 ZINC000065136009 564101485 /nfs/dbraw/zinc/10/14/85/564101485.db2.gz OGSVLBSQTQKESP-UHFFFAOYSA-N 0 0 327.428 3.620 10 0 EHAERN Cc1cc(CN2CCCCC2)c(C)cc1I ZINC000675075247 564113088 /nfs/dbraw/zinc/11/30/88/564113088.db2.gz JDYYKAUDDGTPJI-UHFFFAOYSA-N 0 0 329.225 3.894 10 0 EHAERN CC(F)(F)c1n[nH]c(I)c1-c1ccccc1 ZINC000675076568 564113370 /nfs/dbraw/zinc/11/33/70/564113370.db2.gz PBEQNCSBWGYVCV-UHFFFAOYSA-N 0 0 334.107 3.793 10 0 EHAERN CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C ZINC000685961639 564177186 /nfs/dbraw/zinc/17/71/86/564177186.db2.gz MNVNMOCDADQALO-MRXNPFEDSA-N 0 0 348.487 3.627 10 0 EHAERN CN(CC(=O)c1cscc1Br)C(=O)OC(C)(C)C ZINC000405472702 564177577 /nfs/dbraw/zinc/17/75/77/564177577.db2.gz BSNKUPNUAHDWEM-UHFFFAOYSA-N 0 0 334.235 3.560 10 0 EHAERN Cc1ccc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c(C)c1Br ZINC000719552395 955170621 /nfs/dbraw/zinc/17/06/21/955170621.db2.gz FQDAWSSREFBPBE-OAHLLOKOSA-N 0 0 326.234 3.505 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c(Cl)n1 ZINC000182304913 1032086400 /nfs/dbraw/zinc/08/64/00/1032086400.db2.gz JAYZAYANZCQSQA-TZMCWYRMSA-N 0 0 330.815 3.646 10 0 EHAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000716470060 977842099 /nfs/dbraw/zinc/84/20/99/977842099.db2.gz NVYQNEAUIHPVPL-IGJVIKARSA-N 0 0 338.245 3.529 10 0 EHAERN C[C@H]1CC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C[C@H](C)C1 ZINC000182661813 1032117760 /nfs/dbraw/zinc/11/77/60/1032117760.db2.gz ZTFYJEFMCBFCKK-IAGOWNOFSA-N 0 0 348.531 3.700 10 0 EHAERN Cc1cccnc1/C=C/C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000183740647 1032202622 /nfs/dbraw/zinc/20/26/22/1032202622.db2.gz SIBWPPGKWBLQSH-CMDGGOBGSA-N 0 0 339.414 3.645 10 0 EHAERN CO[C@H](C)CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183607029 1032212291 /nfs/dbraw/zinc/21/22/91/1032212291.db2.gz PHJKGVPQGFBESY-WBVHZDCISA-N 0 0 341.455 3.598 10 0 EHAERN OC[C@@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000183661784 1032217140 /nfs/dbraw/zinc/21/71/40/1032217140.db2.gz AICJUODVGKSJRE-MRXNPFEDSA-N 0 0 328.799 3.818 10 0 EHAERN Cc1ccnc(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000184083519 1032251057 /nfs/dbraw/zinc/25/10/57/1032251057.db2.gz QFSQOGQHARRUKI-UHFFFAOYSA-N 0 0 328.391 3.638 10 0 EHAERN CC[C@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1cccs1 ZINC000184278815 1032280307 /nfs/dbraw/zinc/28/03/07/1032280307.db2.gz XCCAXAOESMVPET-HNNXBMFYSA-N 0 0 344.484 3.516 10 0 EHAERN COCCOCCSCc1ncc(-c2ccccc2Cl)o1 ZINC000184635778 1032312612 /nfs/dbraw/zinc/31/26/12/1032312612.db2.gz JAECHKKNJCNYSC-UHFFFAOYSA-N 0 0 327.833 3.891 10 0 EHAERN C[C@H](CC(=O)Nc1cccc2c1OCC[C@H]2O)Cc1cccc(F)c1 ZINC000185348461 1032382774 /nfs/dbraw/zinc/38/27/74/1032382774.db2.gz AZNMOVHGGJRJTO-SCLBCKFNSA-N 0 0 343.398 3.849 10 0 EHAERN CCC[C@H]1CCCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000185418578 1032395911 /nfs/dbraw/zinc/39/59/11/1032395911.db2.gz NSZVBOYSVGKXEJ-BBRMVZONSA-N 0 0 332.469 3.671 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000152272628 1018341436 /nfs/dbraw/zinc/34/14/36/1018341436.db2.gz DBADSGLCGHSQJG-ZSZQSSIHSA-N 0 0 334.435 3.532 10 0 EHAERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@](C)(F)C3)c21 ZINC000408050483 1018353049 /nfs/dbraw/zinc/35/30/49/1018353049.db2.gz JWNJENHGHKVTGS-SFHVURJKSA-N 0 0 331.391 3.798 10 0 EHAERN Cc1nc(NC(=O)N[C@H]2CCO[C@@H]2C)sc1Cc1ccc(C)cc1 ZINC000333435077 1019564933 /nfs/dbraw/zinc/56/49/33/1019564933.db2.gz INMDENWBBFASJL-HIFRSBDPSA-N 0 0 345.468 3.650 10 0 EHAERN Cc1nnc(-c2ccccc2C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)o1 ZINC000333480175 1019714430 /nfs/dbraw/zinc/71/44/30/1019714430.db2.gz HDBIZNFDQDCMHZ-BAGFXWCHSA-N 0 0 337.423 3.553 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)NC[C@@H]2CCCC[C@@H]2O)cs1 ZINC000333525126 1019865373 /nfs/dbraw/zinc/86/53/73/1019865373.db2.gz XAIWSRWIVUSFRS-GUYCJALGSA-N 0 0 345.468 3.791 10 0 EHAERN C[C@H]1CCCN(C(=O)Nc2cccc(N3CCCCCC3)c2)[C@H]1CO ZINC000089871557 1020317165 /nfs/dbraw/zinc/31/71/65/1020317165.db2.gz UUPCDGXUCVAIJN-LPHOPBHVSA-N 0 0 345.487 3.692 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000152306157 1020842436 /nfs/dbraw/zinc/84/24/36/1020842436.db2.gz QRJVWKCYMOYJJR-CCKFTAQKSA-N 0 0 338.455 3.600 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1COCc2ccccc21 ZINC000333924679 1021506714 /nfs/dbraw/zinc/50/67/14/1021506714.db2.gz TWQVIVLBKILJCW-SSDMNJCBSA-N 0 0 342.361 3.678 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cc(C(N)=O)ccc3F)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333783194 1022136603 /nfs/dbraw/zinc/13/66/03/1022136603.db2.gz CALSCDOBJMZQLJ-VMWDTQKESA-N 0 0 331.391 3.609 10 0 EHAERN O=C(NCc1cc(F)cc(Br)c1)c1cccc(F)c1F ZINC000102236662 1022260397 /nfs/dbraw/zinc/26/03/97/1022260397.db2.gz VZKXRBXCBMIWJL-UHFFFAOYSA-N 0 0 344.130 3.796 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)CCc2ccccc2F)[nH]1 ZINC000328750478 1022480260 /nfs/dbraw/zinc/48/02/60/1022480260.db2.gz RFRIDUKGCCHOCJ-GUYCJALGSA-N 0 0 344.434 3.575 10 0 EHAERN C[C@@H]1CC(CNC(=O)c2cc(-c3ccccc3)ns2)C[C@@H](C)O1 ZINC000328948462 1022539422 /nfs/dbraw/zinc/53/94/22/1022539422.db2.gz WDMCIVAGTRQQQJ-CHWSQXEVSA-N 0 0 330.453 3.744 10 0 EHAERN COc1ccc(C[C@@H](C)COC(=O)/C=C\c2cccnc2)cc1F ZINC000588449144 1022911383 /nfs/dbraw/zinc/91/13/83/1022911383.db2.gz TVYPCQMWKDPVOL-IQCBXXCUSA-N 0 0 329.371 3.665 10 0 EHAERN CC(=O)Nc1cccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 ZINC000333885432 1022935446 /nfs/dbraw/zinc/93/54/46/1022935446.db2.gz XLJKSERAKHQKIS-BDFQZXNOSA-N 0 0 327.428 3.545 10 0 EHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000588454815 1023055559 /nfs/dbraw/zinc/05/55/59/1023055559.db2.gz UEEOSUAIJAHESE-BLIJAFNYSA-N 0 0 347.418 3.951 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1nccc2sccc21 ZINC000588462051 1023279453 /nfs/dbraw/zinc/27/94/53/1023279453.db2.gz WBIFIEDEEHKEQJ-YFHOEESVSA-N 0 0 334.397 3.848 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190308343 1023281825 /nfs/dbraw/zinc/28/18/25/1023281825.db2.gz MILFVWRLVWZRLF-MEDUHNTESA-N 0 0 328.412 3.684 10 0 EHAERN COc1cc(F)c(C(=O)N2CCC[C@H]2c2cccc(C)n2)cc1OC ZINC000167161186 1023961121 /nfs/dbraw/zinc/96/11/21/1023961121.db2.gz SVSMMVAUTUXZOR-INIZCTEOSA-N 0 0 344.386 3.524 10 0 EHAERN CC[C@@H]1CCCCCN1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000172485721 1033186010 /nfs/dbraw/zinc/18/60/10/1033186010.db2.gz BTMKOIARELUICQ-MRXNPFEDSA-N 0 0 336.407 3.556 10 0 EHAERN Cc1nc(CC(C)C)c(NC(=O)N(C)[C@H](C)c2cnn(C)c2)s1 ZINC000182501107 1024105217 /nfs/dbraw/zinc/10/52/17/1024105217.db2.gz VYNMRHYXLIAUOG-LLVKDONJSA-N 0 0 335.477 3.608 10 0 EHAERN C[C@H](NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)[C@@H]1CCCO1 ZINC000247051599 1024148147 /nfs/dbraw/zinc/14/81/47/1024148147.db2.gz GESVDNSKQUSNKC-JVPBZIDWSA-N 0 0 341.455 3.972 10 0 EHAERN C[C@H]1C[C@@H](C(=O)Nc2ccccc2CN2CCNC2=O)CC(C)(C)C1 ZINC000182994029 1024156423 /nfs/dbraw/zinc/15/64/23/1024156423.db2.gz CAWHQAWBTKIYJA-GOEBONIOSA-N 0 0 343.471 3.613 10 0 EHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(F)cn1 ZINC000183141469 1024175145 /nfs/dbraw/zinc/17/51/45/1024175145.db2.gz VDPDZRXULGNLHD-INIZCTEOSA-N 0 0 326.371 3.787 10 0 EHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2oc(CC3CC3)nc2C)C12CCCC2 ZINC000330005091 1024283779 /nfs/dbraw/zinc/28/37/79/1024283779.db2.gz DAZJXALYURMSIP-HOTGVXAUSA-N 0 0 346.471 3.745 10 0 EHAERN CC[C@H]1CCCCCN1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000153704747 1024294726 /nfs/dbraw/zinc/29/47/26/1024294726.db2.gz LNZSUJKSWKAKBF-LSDHHAIUSA-N 0 0 333.480 3.601 10 0 EHAERN COc1cc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)ccc1Cl ZINC000194403210 1024411935 /nfs/dbraw/zinc/41/19/35/1024411935.db2.gz KOYYORFZPGEMRQ-LSDHHAIUSA-N 0 0 348.834 3.851 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cccc(-n4cccc4)c3)CCO2)o1 ZINC000151703635 1024457896 /nfs/dbraw/zinc/45/78/96/1024457896.db2.gz NAMFJSVELMTTJW-LJQANCHMSA-N 0 0 336.391 3.592 10 0 EHAERN CC(C)CCN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000120023411 1033222236 /nfs/dbraw/zinc/22/22/36/1033222236.db2.gz PUJKMKJKHGAAGB-MRXNPFEDSA-N 0 0 332.469 3.527 10 0 EHAERN Cc1c(C(=O)N2CCCC[C@H]2CC(C)C)cccc1N1CCNC1=O ZINC000138389369 1024697864 /nfs/dbraw/zinc/69/78/64/1024697864.db2.gz FTDGYZRTFLIHBR-INIZCTEOSA-N 0 0 343.471 3.565 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000153605327 1024813035 /nfs/dbraw/zinc/81/30/35/1024813035.db2.gz IENGHFDXOAQSLQ-HOTGVXAUSA-N 0 0 347.507 3.704 10 0 EHAERN Cc1csc([C@@H]2CCCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n1 ZINC000329283736 1025720431 /nfs/dbraw/zinc/72/04/31/1025720431.db2.gz ODCAIKGZJRNELE-QXULXFAOSA-N 0 0 346.496 3.901 10 0 EHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)C12CCCC2 ZINC000329345571 1025769167 /nfs/dbraw/zinc/76/91/67/1025769167.db2.gz BZLVXDUIPXOMMU-IAGOWNOFSA-N 0 0 345.418 3.512 10 0 EHAERN C[C@H]1CCC[C@@H]1c1nc(-c2ccc(CN3CCCC3=O)cc2)no1 ZINC000329547712 1025982069 /nfs/dbraw/zinc/98/20/69/1025982069.db2.gz BBSKXTKHDHDFCV-BBRMVZONSA-N 0 0 325.412 3.763 10 0 EHAERN CCC(=O)Nc1cccc(C(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103128285 1026066330 /nfs/dbraw/zinc/06/63/30/1026066330.db2.gz QUCLHZLTKJHZMJ-UHFFFAOYSA-N 0 0 349.434 3.797 10 0 EHAERN COc1cc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc(OC)c1OC ZINC000192794958 1026345859 /nfs/dbraw/zinc/34/58/59/1026345859.db2.gz OJYNZJYVHCPEHS-XJKSGUPXSA-N 0 0 343.423 3.887 10 0 EHAERN CCCCCOCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000122336206 1026410903 /nfs/dbraw/zinc/41/09/03/1026410903.db2.gz LYAKQDWKSLNFSO-HNNXBMFYSA-N 0 0 330.428 3.741 10 0 EHAERN CCOc1ccc(NC(=O)N(C)CCc2ccccc2OC)cc1F ZINC000105011249 1026481156 /nfs/dbraw/zinc/48/11/56/1026481156.db2.gz DWULLEXTVCDRLO-UHFFFAOYSA-N 0 0 346.402 3.939 10 0 EHAERN O=c1[nH]ncc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1Cl ZINC000301625476 1026879650 /nfs/dbraw/zinc/87/96/50/1026879650.db2.gz ASUZSKMMRHOJCM-HNNXBMFYSA-N 0 0 347.205 3.673 10 0 EHAERN O=C(Nc1cccc(OCCF)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000123055441 1026945414 /nfs/dbraw/zinc/94/54/14/1026945414.db2.gz UXSRICADSOTKBQ-CYBMUJFWSA-N 0 0 349.431 3.903 10 0 EHAERN Cc1ccc([C@@H]2CN(c3ccc(Br)c(C)n3)CCO2)o1 ZINC000302148199 1027071226 /nfs/dbraw/zinc/07/12/26/1027071226.db2.gz LJFIJFULHLRZNM-AWEZNQCLSA-N 0 0 337.217 3.632 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000043652501 1027088708 /nfs/dbraw/zinc/08/87/08/1027088708.db2.gz DIMCXZNLSKSFMA-UHFFFAOYSA-N 0 0 335.407 3.966 10 0 EHAERN CNC(=O)c1ccc(C)c(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000044180916 1027159579 /nfs/dbraw/zinc/15/95/79/1027159579.db2.gz WRGWGWBCLFRZDN-UHFFFAOYSA-N 0 0 349.434 3.676 10 0 EHAERN COc1ccc(C)cc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000128846730 1027488840 /nfs/dbraw/zinc/48/88/40/1027488840.db2.gz NSRUFXYWSSBGFL-UHFFFAOYSA-N 0 0 345.468 3.856 10 0 EHAERN C[C@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1nnc2n1CCCC2 ZINC000130972396 1027720194 /nfs/dbraw/zinc/72/01/94/1027720194.db2.gz HOYBKQUNZPOAJL-WFASDCNBSA-N 0 0 344.434 3.707 10 0 EHAERN CC[C@@H]1CN(C(=O)c2cc(OC)c(OC)cc2F)c2ccccc2O1 ZINC000132589086 1027939513 /nfs/dbraw/zinc/93/95/13/1027939513.db2.gz RUNRXIJJSLMVHE-GFCCVEGCSA-N 0 0 345.370 3.661 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCCC[C@H]1C(C)C)C2 ZINC000112748728 1027952590 /nfs/dbraw/zinc/95/25/90/1027952590.db2.gz GNPGHDUJVIKKMV-JKSUJKDBSA-N 0 0 346.519 3.826 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCCc3ccc(C)s3)CCO2)o1 ZINC000133320783 1028019882 /nfs/dbraw/zinc/01/98/82/1028019882.db2.gz VNGZJLVCXABSOA-QGZVFWFLSA-N 0 0 333.453 3.881 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133349278 1028022101 /nfs/dbraw/zinc/02/21/01/1028022101.db2.gz HQWXSOTVNQCERI-IFXJQAMLSA-N 0 0 345.414 3.896 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(C)n(C(C)C)c3C)CCO2)o1 ZINC000133626268 1028047744 /nfs/dbraw/zinc/04/77/44/1028047744.db2.gz DZLYVVMBQBOTDN-GOSISDBHSA-N 0 0 330.428 3.801 10 0 EHAERN COc1ccc([C@H]2CCN(C(=O)c3c(O)cnc4ccccc43)C2)cc1 ZINC000136543133 1028256761 /nfs/dbraw/zinc/25/67/61/1028256761.db2.gz MNYPLORSENENKI-HNNXBMFYSA-N 0 0 348.402 3.579 10 0 EHAERN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H](c2nccs2)C1 ZINC000067047526 1028352849 /nfs/dbraw/zinc/35/28/49/1028352849.db2.gz JTEROAXITXZQCA-AWEZNQCLSA-N 0 0 339.420 3.818 10 0 EHAERN CC(C)Cc1nc(C(=O)N2CCC[C@H](c3nccs3)C2)cs1 ZINC000067046486 1028352868 /nfs/dbraw/zinc/35/28/68/1028352868.db2.gz FKEDETSIHKGDMB-LBPRGKRZSA-N 0 0 335.498 3.818 10 0 EHAERN CC(C)COc1ncccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047410 1028353018 /nfs/dbraw/zinc/35/30/18/1028353018.db2.gz CIZXCAMGNPQXED-AWEZNQCLSA-N 0 0 345.468 3.593 10 0 EHAERN CC(C)(C(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000067047713 1028355193 /nfs/dbraw/zinc/35/51/93/1028355193.db2.gz KVCZQEWEMALYCR-CYBMUJFWSA-N 0 0 332.444 3.966 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)COc2cccc(F)c2F)cc1 ZINC000057934041 1028379722 /nfs/dbraw/zinc/37/97/22/1028379722.db2.gz WVPKOTQAAJOQND-MRXNPFEDSA-N 0 0 347.361 3.716 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2ncccc2c1 ZINC000058328937 1028384449 /nfs/dbraw/zinc/38/44/49/1028384449.db2.gz HGLVRWLSDRDEKD-KRWDZBQOSA-N 0 0 349.415 3.676 10 0 EHAERN Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)nc1 ZINC000194110837 1028493041 /nfs/dbraw/zinc/49/30/41/1028493041.db2.gz GBPSEJSRFUYMPY-PKOBYXMFSA-N 0 0 341.499 3.788 10 0 EHAERN O=C(NCCCCO)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000194270006 1028505143 /nfs/dbraw/zinc/50/51/43/1028505143.db2.gz RJPUVXSWOQXHAD-OAHLLOKOSA-N 0 0 338.860 3.563 10 0 EHAERN O=c1cc(N2CCC[C@H]2c2nc3ccccc3s2)nc2ccccn12 ZINC000194424730 1028516569 /nfs/dbraw/zinc/51/65/69/1028516569.db2.gz TYBQTEIAWICNMQ-AWEZNQCLSA-N 0 0 348.431 3.646 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cnc(-c4ccco4)s3)CCO2)o1 ZINC000194427932 1028516758 /nfs/dbraw/zinc/51/67/58/1028516758.db2.gz RRYNKGOUPPWFNS-INIZCTEOSA-N 0 0 330.409 3.878 10 0 EHAERN COc1cc(C2(C(=O)N[C@@H]3CCOc4ccccc43)CC2)ccc1C ZINC000194623135 1028527266 /nfs/dbraw/zinc/52/72/66/1028527266.db2.gz GICAUGMIKJGBLC-QGZVFWFLSA-N 0 0 337.419 3.675 10 0 EHAERN C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000073071412 1028539449 /nfs/dbraw/zinc/53/94/49/1028539449.db2.gz SIAKXSQLOMXLJX-CQSZACIVSA-N 0 0 337.379 3.780 10 0 EHAERN Cc1cccnc1C(F)(F)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000195277249 1028624009 /nfs/dbraw/zinc/62/40/09/1028624009.db2.gz PFRRXAAVQIPWJF-UHFFFAOYSA-N 0 0 328.362 3.798 10 0 EHAERN O=C(c1cccc(Br)c1)N1CCC[C@H]1c1nccs1 ZINC000074909196 1028638309 /nfs/dbraw/zinc/63/83/09/1028638309.db2.gz RFTODOHMOIMAIT-LBPRGKRZSA-N 0 0 337.242 3.883 10 0 EHAERN C[C@H]1CN(CCC(=O)N(C)c2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000246552570 1028656034 /nfs/dbraw/zinc/65/60/34/1028656034.db2.gz KMWIRPXUJISHBH-YJBOKZPZSA-N 0 0 344.480 3.563 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)CCO2)o1 ZINC000246839959 1028700065 /nfs/dbraw/zinc/70/00/65/1028700065.db2.gz QJTALGNJZJZEHX-BXWFABGCSA-N 0 0 342.439 3.863 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C[C@H]2CSCCS2)C1 ZINC000246953293 1028718161 /nfs/dbraw/zinc/71/81/61/1028718161.db2.gz ZURKVWFSFPFDBM-DVOMOZLQSA-N 0 0 339.501 3.974 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1csc(-c2ccsc2)n1 ZINC000153785323 1028738282 /nfs/dbraw/zinc/73/82/82/1028738282.db2.gz ARBVBVHXQGKKKC-YRGRVCCFSA-N 0 0 334.466 3.559 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(C(F)(F)F)ccc1F ZINC000247310302 1028775268 /nfs/dbraw/zinc/77/52/68/1028775268.db2.gz IFDVJPALMFJENE-ZLKJLUDKSA-N 0 0 331.309 3.532 10 0 EHAERN COCc1ccsc1C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000245535996 1028777068 /nfs/dbraw/zinc/77/70/68/1028777068.db2.gz XCMNBCMSEMDDER-CKEIUWERSA-N 0 0 345.464 3.885 10 0 EHAERN C[C@@H]1CC[C@H](CCC(=O)N2CCC(Nc3ccccc3F)CC2)O1 ZINC000075805804 1028795300 /nfs/dbraw/zinc/79/53/00/1028795300.db2.gz GSKOMIMBRGLNPP-GDBMZVCRSA-N 0 0 334.435 3.576 10 0 EHAERN C[C@@H]1CCN(Cc2ccc(Br)s2)C[C@H]1n1ccnc1 ZINC000247685696 1028810236 /nfs/dbraw/zinc/81/02/36/1028810236.db2.gz SCQQNYLZJXAYBT-DGCLKSJQSA-N 0 0 340.290 3.790 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@H]2CCCC[C@@H]12 ZINC000249353562 1028999539 /nfs/dbraw/zinc/99/95/39/1028999539.db2.gz QKMAIYCUQLFFDQ-COXVUDFISA-N 0 0 339.443 3.525 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@H]1C1CCCC1 ZINC000077854417 1029162359 /nfs/dbraw/zinc/16/23/59/1029162359.db2.gz WOKQSYWSSPKKKE-OALUTQOASA-N 0 0 330.472 3.517 10 0 EHAERN C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000252651956 1029214945 /nfs/dbraw/zinc/21/49/45/1029214945.db2.gz WTDKTIQODQZLJR-ZMSDIMECSA-N 0 0 345.464 3.630 10 0 EHAERN CCc1nc(CC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cs1 ZINC000078188275 1029238946 /nfs/dbraw/zinc/23/89/46/1029238946.db2.gz IXDQNZNJEIMHKE-ZFWWWQNUSA-N 0 0 344.480 3.661 10 0 EHAERN COCc1cccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000078186157 1029239412 /nfs/dbraw/zinc/23/94/12/1029239412.db2.gz PKVAWOWKZOSHPJ-DNVCBOLYSA-N 0 0 339.435 3.860 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245755966 1029251075 /nfs/dbraw/zinc/25/10/75/1029251075.db2.gz DUYBKCWCCNXWCV-GVDBMIGSSA-N 0 0 330.428 3.553 10 0 EHAERN C[C@H]1C[C@H](C(=O)N2CCC(Oc3ccc(F)nc3)CC2)C[C@@H](C)C1 ZINC000253352133 1029326345 /nfs/dbraw/zinc/32/63/45/1029326345.db2.gz GKYNXTDGTIJZKB-FICVDOATSA-N 0 0 334.435 3.663 10 0 EHAERN CC(C)Oc1cccc(CN(C)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000245856590 1029387197 /nfs/dbraw/zinc/38/71/97/1029387197.db2.gz CMDHUCMFOPCLOL-OTWHNJEPSA-N 0 0 346.471 3.573 10 0 EHAERN COc1ccccc1[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccn1 ZINC000245861723 1029389997 /nfs/dbraw/zinc/38/99/97/1029389997.db2.gz KXLSGKRMYPRFGU-BWMZKYQQSA-N 0 0 336.435 3.732 10 0 EHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)c1 ZINC000245926054 1029481173 /nfs/dbraw/zinc/48/11/73/1029481173.db2.gz OJWXQPKBOBRTSN-FGTMMUONSA-N 0 0 343.858 3.812 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000245955854 1029516782 /nfs/dbraw/zinc/51/67/82/1029516782.db2.gz QOOXEDXRKCMYDI-BJKJVOPESA-N 0 0 333.428 3.537 10 0 EHAERN O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245982399 1029544280 /nfs/dbraw/zinc/54/42/80/1029544280.db2.gz DJYLFWGIEUMMPP-ZKYQVNSYSA-N 0 0 328.334 3.785 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245987323 1029548390 /nfs/dbraw/zinc/54/83/90/1029548390.db2.gz KJTUWYGJEROAKF-YQVWRLOYSA-N 0 0 349.519 3.689 10 0 EHAERN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000156033427 1029727155 /nfs/dbraw/zinc/72/71/55/1029727155.db2.gz PXKPSNNINYPDNY-YOEHRIQHSA-N 0 0 343.471 3.565 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000332947196 1029937078 /nfs/dbraw/zinc/93/70/78/1029937078.db2.gz YRNJPKIXMUOHAY-XWCCPHMRSA-N 0 0 328.456 3.634 10 0 EHAERN Fc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1F ZINC000090202709 1030090583 /nfs/dbraw/zinc/09/05/83/1030090583.db2.gz XNJGQWIXNGTYQQ-HNNXBMFYSA-N 0 0 335.741 3.880 10 0 EHAERN Cc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cocn3)s2)cc1 ZINC000588578967 1030130890 /nfs/dbraw/zinc/13/08/90/1030130890.db2.gz KRPCHFVOTCOORN-WUXMJOGZSA-N 0 0 346.799 3.824 10 0 EHAERN O=C(Nc1ccc2c(c1)COC2)N1CCC[C@H](c2nccs2)C1 ZINC000092163909 1030391494 /nfs/dbraw/zinc/39/14/94/1030391494.db2.gz ARKDKXXTCDZFHH-LBPRGKRZSA-N 0 0 329.425 3.585 10 0 EHAERN C[C@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)C(C)(C)C ZINC000114967454 1030474324 /nfs/dbraw/zinc/47/43/24/1030474324.db2.gz XDHIWOBNWISIID-ZDUSSCGKSA-N 0 0 328.460 3.887 10 0 EHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000171645207 1030772915 /nfs/dbraw/zinc/77/29/15/1030772915.db2.gz VILNWGOIORTKAQ-INIZCTEOSA-N 0 0 339.464 3.894 10 0 EHAERN CCOC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000171922645 1030850536 /nfs/dbraw/zinc/85/05/36/1030850536.db2.gz JRZJXMUKTJQDRJ-HOTGVXAUSA-N 0 0 330.453 3.627 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)s3)CC2)nc1 ZINC000157807081 1030876983 /nfs/dbraw/zinc/87/69/83/1030876983.db2.gz YJXNSBRPKAHOJB-UHFFFAOYSA-N 0 0 335.860 3.504 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329487647 1030919220 /nfs/dbraw/zinc/91/92/20/1030919220.db2.gz GRURWSQDTBUSKH-YSHGAJCASA-N 0 0 347.503 3.941 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C[C@H]1n1ccnc1 ZINC000248731833 1030920590 /nfs/dbraw/zinc/92/05/90/1030920590.db2.gz OQSFFVWQXDCOQV-VNQPRFMTSA-N 0 0 344.484 3.615 10 0 EHAERN O=C([C@@H]1CSc2ccccc21)N1CCC(Cc2ccccn2)CC1 ZINC000172380516 1030940038 /nfs/dbraw/zinc/94/00/38/1030940038.db2.gz WUOUWJJDARIJEP-GOSISDBHSA-N 0 0 338.476 3.752 10 0 EHAERN CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)C1 ZINC000247364303 1031031543 /nfs/dbraw/zinc/03/15/43/1031031543.db2.gz QXJQWBMSSBUGEF-MHORFTMASA-N 0 0 348.512 3.880 10 0 EHAERN O=C1NCCCC[C@H]1SCc1ccccc1OCC(F)(F)F ZINC000173877060 1031152361 /nfs/dbraw/zinc/15/23/61/1031152361.db2.gz ANWINWNAKMGSGU-CYBMUJFWSA-N 0 0 333.375 3.530 10 0 EHAERN C[C@]1(C(=O)N2CCC(Nc3ccccc3F)CC2)CC1(Cl)Cl ZINC000174078631 1031163462 /nfs/dbraw/zinc/16/34/62/1031163462.db2.gz DLPMMDBBXALRGP-OAHLLOKOSA-N 0 0 345.245 3.813 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(N2CCCCC2)cc1 ZINC000174163013 1031172555 /nfs/dbraw/zinc/17/25/55/1031172555.db2.gz WUNNAEVULLJUKC-UHFFFAOYSA-N 0 0 348.406 3.979 10 0 EHAERN Cc1cc2cc(NC(=O)N[C@@H]3CCCC[C@H]3n3cccn3)ccc2[nH]1 ZINC000174366756 1031203442 /nfs/dbraw/zinc/20/34/42/1031203442.db2.gz RCAZSBDSNUKFJT-QZTJIDSGSA-N 0 0 337.427 3.978 10 0 EHAERN Cc1nc(CC(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cs1 ZINC000174705214 1031247481 /nfs/dbraw/zinc/24/74/81/1031247481.db2.gz WZBCABZCXXVHLP-KBXCAEBGSA-N 0 0 344.480 3.599 10 0 EHAERN O=C(c1ncncc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000175106178 1031277375 /nfs/dbraw/zinc/27/73/75/1031277375.db2.gz YEIYLZUMISXDGR-LBPRGKRZSA-N 0 0 344.827 3.717 10 0 EHAERN CCc1nc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)sc1C ZINC000174888468 1031286154 /nfs/dbraw/zinc/28/61/54/1031286154.db2.gz QTGQGIUXVLEXAD-KBPBESRZSA-N 0 0 333.461 3.516 10 0 EHAERN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncncc1Cl ZINC000175938948 1031370810 /nfs/dbraw/zinc/37/08/10/1031370810.db2.gz HIRDCHLJIHDFBG-GDBMZVCRSA-N 0 0 329.831 3.928 10 0 EHAERN Cc1nnc([C@H](NC(=O)CC/C=C/c2ccccc2)c2ccccc2)[nH]1 ZINC000158521731 1031412437 /nfs/dbraw/zinc/41/24/37/1031412437.db2.gz CZGSIHUJESAOTD-GPVYEGESSA-N 0 0 346.434 3.812 10 0 EHAERN C/C(=C\C(=O)N[C@H]1CCCn2nc(C(C)C)nc21)c1ccc(F)cc1 ZINC000176702313 1031451213 /nfs/dbraw/zinc/45/12/13/1031451213.db2.gz SWLWPZGRUAHWIN-BYIUCRAPSA-N 0 0 342.418 3.595 10 0 EHAERN O=C(N[C@H]1CCO[C@@H]1c1ccccc1)N1CC2(CC2)c2ccccc21 ZINC000176541554 1031458660 /nfs/dbraw/zinc/45/86/60/1031458660.db2.gz ZQSMHVNEWXTRPN-PKOBYXMFSA-N 0 0 334.419 3.778 10 0 EHAERN O=C(N[C@H]1CCO[C@H]1c1ccccc1)N1CC2(CC2)c2ccccc21 ZINC000176541572 1031459072 /nfs/dbraw/zinc/45/90/72/1031459072.db2.gz ZQSMHVNEWXTRPN-HKUYNNGSSA-N 0 0 334.419 3.778 10 0 EHAERN COc1cc(C)ccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000176556116 1031461171 /nfs/dbraw/zinc/46/11/71/1031461171.db2.gz QKCBHLMVBCHNSN-UHFFFAOYSA-N 0 0 345.468 3.856 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)CC3CCCCCC3)CC2)n1 ZINC000176613283 1031464696 /nfs/dbraw/zinc/46/46/96/1031464696.db2.gz ZURDFSBNSUZEES-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN CC[C@H]1CN(C(=O)c2ncncc2Cl)CC[C@@H]1c1ccccc1 ZINC000177685243 1031585712 /nfs/dbraw/zinc/58/57/12/1031585712.db2.gz YPOUOAPOSILRGD-ZFWWWQNUSA-N 0 0 329.831 3.786 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)N[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000189202478 1031651910 /nfs/dbraw/zinc/65/19/10/1031651910.db2.gz GJDPKNFFKOOSKJ-WFASDCNBSA-N 0 0 331.441 3.808 10 0 EHAERN COc1c(C)cc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1C ZINC000180025397 1031831077 /nfs/dbraw/zinc/83/10/77/1031831077.db2.gz SONGSJXTASBVQN-CQSZACIVSA-N 0 0 330.453 3.788 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000152705097 1031845797 /nfs/dbraw/zinc/84/57/97/1031845797.db2.gz PEUNPDKQNZMZQV-KMFMINBZSA-N 0 0 344.480 3.575 10 0 EHAERN C[C@H](NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C(C)(C)C ZINC000181394610 1031982788 /nfs/dbraw/zinc/98/27/88/1031982788.db2.gz ABEKVWFUUXXLCE-NSHDSACASA-N 0 0 346.397 3.683 10 0 EHAERN COCc1ccsc1C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000181777951 1032032633 /nfs/dbraw/zinc/03/26/33/1032032633.db2.gz XCMNBCMSEMDDER-KEYYUXOJSA-N 0 0 345.464 3.885 10 0 EHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000120382318 1033741673 /nfs/dbraw/zinc/74/16/73/1033741673.db2.gz QNWRCLZPXKSWCT-FDMDGMSGSA-N 0 0 349.434 3.661 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N([C@H](C)C(C)C)C3CC3)CC2)nc1 ZINC000086403682 1034076556 /nfs/dbraw/zinc/07/65/56/1034076556.db2.gz OYPDFXPIXSSWDN-MRXNPFEDSA-N 0 0 344.503 3.577 10 0 EHAERN Cc1cccc(C)c1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101738850 1034150914 /nfs/dbraw/zinc/15/09/14/1034150914.db2.gz MPNAPTMVBOHVMP-INIZCTEOSA-N 0 0 345.487 3.708 10 0 EHAERN O=C(C/C=C/c1ccccc1F)N1CCC(O)(c2ccccc2)CC1 ZINC000185861124 1035549504 /nfs/dbraw/zinc/54/95/04/1035549504.db2.gz OKBCSVSELFNEFU-SOFGYWHQSA-N 0 0 339.410 3.739 10 0 EHAERN c1[nH]c(-c2ccccc2)nc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185877297 1035555497 /nfs/dbraw/zinc/55/54/97/1035555497.db2.gz SWKBJSPVYQTQBG-UHFFFAOYSA-N 0 0 341.418 3.824 10 0 EHAERN CC(C)c1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1F ZINC000186141226 1035588096 /nfs/dbraw/zinc/58/80/96/1035588096.db2.gz OSYXMPSTFKHLKP-UHFFFAOYSA-N 0 0 342.418 3.594 10 0 EHAERN COc1ccsc1[C@H](C)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000186149048 1035592360 /nfs/dbraw/zinc/59/23/60/1035592360.db2.gz FASNIWZLEQBXAH-XHDPSFHLSA-N 0 0 328.441 3.623 10 0 EHAERN COC[C@@H]1CCCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 ZINC000457054609 1035667058 /nfs/dbraw/zinc/66/70/58/1035667058.db2.gz YVZULFPKNOLSEG-CYBMUJFWSA-N 0 0 334.847 3.720 10 0 EHAERN CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186696220 1035687840 /nfs/dbraw/zinc/68/78/40/1035687840.db2.gz LMESXJNMVKCINE-TZMCWYRMSA-N 0 0 330.432 3.754 10 0 EHAERN COc1ccc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000000514507 1035705931 /nfs/dbraw/zinc/70/59/31/1035705931.db2.gz RXSYPYRBKCVGKD-NSHDSACASA-N 0 0 328.393 3.711 10 0 EHAERN C[C@@H]1OCCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)[C@H]1C ZINC000157451132 1035720370 /nfs/dbraw/zinc/72/03/70/1035720370.db2.gz ZNTUNJMHZFTSTF-YQQAZPJKSA-N 0 0 344.455 3.642 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCOc2ccc(F)cc2)cs1 ZINC000187100353 1035773757 /nfs/dbraw/zinc/77/37/57/1035773757.db2.gz FQSBJYLXLQLCQE-INIZCTEOSA-N 0 0 334.416 3.723 10 0 EHAERN C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187173131 1035778758 /nfs/dbraw/zinc/77/87/58/1035778758.db2.gz FZUSLSUWZYRZPA-ZDUSSCGKSA-N 0 0 338.521 3.944 10 0 EHAERN COCCC1(CNC(=O)N2CCC[C@H]2c2csc(C)n2)CCC1 ZINC000187185306 1035782996 /nfs/dbraw/zinc/78/29/96/1035782996.db2.gz OCDKMPKLIGPEBG-HNNXBMFYSA-N 0 0 337.489 3.505 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000187337152 1035792712 /nfs/dbraw/zinc/79/27/12/1035792712.db2.gz JOIJEYIVCWBUMV-UHFFFAOYSA-N 0 0 345.483 3.967 10 0 EHAERN CCOCCC1(CNC(=O)N2CCC[C@H]2c2csc(C)n2)CC1 ZINC000187255619 1035797737 /nfs/dbraw/zinc/79/77/37/1035797737.db2.gz VXQOBVBPEMUGKW-HNNXBMFYSA-N 0 0 337.489 3.505 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3Cc4ccccc4C4(CC4)C3)nc21 ZINC000187432226 1035821815 /nfs/dbraw/zinc/82/18/15/1035821815.db2.gz BYDDCKFSPPDTJT-UHFFFAOYSA-N 0 0 345.446 3.878 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCC[C@@H]2CCCCO2)cs1 ZINC000187462968 1035824838 /nfs/dbraw/zinc/82/48/38/1035824838.db2.gz ULTGNHLBTCNNEQ-HOCLYGCPSA-N 0 0 337.489 3.647 10 0 EHAERN CC(=O)Nc1ccc(C)c(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c1 ZINC000188039225 1035886596 /nfs/dbraw/zinc/88/65/96/1035886596.db2.gz AEOINERVJWHYDD-HOCLYGCPSA-N 0 0 343.427 3.922 10 0 EHAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)C1(Cc2ccccc2F)CC1 ZINC000187978399 1035892371 /nfs/dbraw/zinc/89/23/71/1035892371.db2.gz JLUGYNIGRUFBSJ-QZTJIDSGSA-N 0 0 341.430 3.645 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(N(C)C)cc1 ZINC000188573888 1035951594 /nfs/dbraw/zinc/95/15/94/1035951594.db2.gz HIIVABAMCVEQHW-KRWDZBQOSA-N 0 0 325.412 3.706 10 0 EHAERN CC(C)CCO[C@@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189857336 1036156145 /nfs/dbraw/zinc/15/61/45/1036156145.db2.gz NAXWGFXLZBYMMN-INIZCTEOSA-N 0 0 331.456 3.533 10 0 EHAERN C[C@@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(F)c1 ZINC000190370615 1036229708 /nfs/dbraw/zinc/22/97/08/1036229708.db2.gz FIHRMLJNGOIXPO-ZDUSSCGKSA-N 0 0 347.459 3.879 10 0 EHAERN C[C@H](OC[C@@H]1CCCCO1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190382822 1036231603 /nfs/dbraw/zinc/23/16/03/1036231603.db2.gz BPSOSLMAECCXJK-AJNGGQMLSA-N 0 0 338.448 3.635 10 0 EHAERN CSc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190386222 1036232597 /nfs/dbraw/zinc/23/25/97/1036232597.db2.gz BGFTWJDMQNXCTP-UHFFFAOYSA-N 0 0 333.482 3.582 10 0 EHAERN COc1cccc(SCC(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000190625917 1036266878 /nfs/dbraw/zinc/26/68/78/1036266878.db2.gz GLOCSCGSFOLHIE-KRWDZBQOSA-N 0 0 343.448 3.736 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1nc(C2CC2)cs1 ZINC000191154142 1036323303 /nfs/dbraw/zinc/32/33/03/1036323303.db2.gz RPCPDKFKMHVYJU-AWEZNQCLSA-N 0 0 343.452 3.652 10 0 EHAERN O=C(c1ccc[nH]c1=S)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191531149 1036410059 /nfs/dbraw/zinc/41/00/59/1036410059.db2.gz IDTZOJNQDGWQMP-NSHDSACASA-N 0 0 334.391 3.668 10 0 EHAERN O=C(CCc1ccncc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191537017 1036412955 /nfs/dbraw/zinc/41/29/55/1036412955.db2.gz AAFPKDWPCGCEQJ-OAHLLOKOSA-N 0 0 330.378 3.699 10 0 EHAERN O=C(NC[C@@H]1CC=CCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000191687915 1036433447 /nfs/dbraw/zinc/43/34/47/1036433447.db2.gz PDMGQYCLTLGUFG-MRXNPFEDSA-N 0 0 326.440 3.621 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCC(=O)OC(C)(C)C)C2)cc1 ZINC000192316225 1036495402 /nfs/dbraw/zinc/49/54/02/1036495402.db2.gz HRFROKKJZFJFKX-ZBFHGGJFSA-N 0 0 347.455 3.522 10 0 EHAERN CC[C@](C)(NC(=O)[C@@H]1CCCc2cccnc21)c1nc(C)cs1 ZINC000192623160 1036518783 /nfs/dbraw/zinc/51/87/83/1036518783.db2.gz SIWLPECQEPOCHR-KDOFPFPSSA-N 0 0 329.469 3.708 10 0 EHAERN CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(C(N)=O)cc1 ZINC000102647441 1036738240 /nfs/dbraw/zinc/73/82/40/1036738240.db2.gz IIUDVVFJJLKBFO-UHFFFAOYSA-N 0 0 344.842 3.881 10 0 EHAERN COCc1ccc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)o1 ZINC000102650885 1036738607 /nfs/dbraw/zinc/73/86/07/1036738607.db2.gz DEIZAUYLUDGUOW-UHFFFAOYSA-N 0 0 325.311 3.631 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(C(F)(F)F)nc3)c21 ZINC000103130190 1036844375 /nfs/dbraw/zinc/84/43/75/1036844375.db2.gz CTWMVOOSJNFMBW-UHFFFAOYSA-N 0 0 347.340 3.863 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)CCn3cnc4ccccc43)c21 ZINC000103129422 1036845155 /nfs/dbraw/zinc/84/51/55/1036845155.db2.gz HNISHLWSWSAYIA-UHFFFAOYSA-N 0 0 346.434 3.575 10 0 EHAERN O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000092880559 1036859039 /nfs/dbraw/zinc/85/90/39/1036859039.db2.gz DTOYOCNGWIBJGT-MSOLQXFVSA-N 0 0 344.455 3.577 10 0 EHAERN Cc1ccccc1-n1cnnc1SCc1nc(-c2ccoc2)no1 ZINC000105571585 1037213101 /nfs/dbraw/zinc/21/31/01/1037213101.db2.gz JTTDMLKFDRWWFA-UHFFFAOYSA-N 0 0 339.380 3.511 10 0 EHAERN O=[S@](Cc1nc(-c2ccoc2)no1)Cc1ccc(F)cc1Cl ZINC000105658200 1037233511 /nfs/dbraw/zinc/23/35/11/1037233511.db2.gz IXSPNFORLYKSEP-JOCHJYFZSA-N 0 0 340.763 3.571 10 0 EHAERN O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000104277332 1037468150 /nfs/dbraw/zinc/46/81/50/1037468150.db2.gz RCGCYCAGOOCEHC-HZPDHXFCSA-N 0 0 345.830 3.514 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccccc1Br ZINC000101526399 1037570512 /nfs/dbraw/zinc/57/05/12/1037570512.db2.gz YTRWMRCJIHDEPK-UHFFFAOYSA-N 0 0 344.168 3.751 10 0 EHAERN C[C@@H]1C[C@@H](Nc2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000302128768 1037588669 /nfs/dbraw/zinc/58/86/69/1037588669.db2.gz YDKSTGGXFOIXTL-ZBFHGGJFSA-N 0 0 346.471 3.959 10 0 EHAERN Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103299144 1037589620 /nfs/dbraw/zinc/58/96/20/1037589620.db2.gz OBTGXKPIEKCOLZ-FQEVSTJZSA-N 0 0 331.419 3.979 10 0 EHAERN CC(C)(C)OC(=O)N1CCc2cccc(NCc3ccncc3)c2C1 ZINC000310652760 1037691410 /nfs/dbraw/zinc/69/14/10/1037691410.db2.gz RWPYPSUWKBKKEX-UHFFFAOYSA-N 0 0 339.439 3.987 10 0 EHAERN Cc1ccccc1C[C@H](C)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114824411 1037809762 /nfs/dbraw/zinc/80/97/62/1037809762.db2.gz MAKHKQIWCUUDRJ-RDJZCZTQSA-N 0 0 343.496 3.972 10 0 EHAERN C[C@]1(c2nc(-c3cccs3)no2)CCCN1C(=O)c1ccccc1 ZINC000116606358 1037840280 /nfs/dbraw/zinc/84/02/80/1037840280.db2.gz JMINGVHOSSAINH-GOSISDBHSA-N 0 0 339.420 3.950 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(CC(C)C)CC(C)C)CC2)n1 ZINC000117057286 1037847881 /nfs/dbraw/zinc/84/78/81/1037847881.db2.gz ZGOZBUQSMXPIAI-UHFFFAOYSA-N 0 0 346.519 3.682 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@H](C)c3ccccc32)no1 ZINC000332703901 1037950162 /nfs/dbraw/zinc/95/01/62/1037950162.db2.gz FTOJMHCGRAUKNN-ZLIFDBKOSA-N 0 0 340.427 3.863 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000332775182 1037953795 /nfs/dbraw/zinc/95/37/95/1037953795.db2.gz MEYWGOOCFSDFAA-DODZYUBVSA-N 0 0 347.503 3.874 10 0 EHAERN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000408065293 1038317286 /nfs/dbraw/zinc/31/72/86/1038317286.db2.gz NNMUFSWXUDRHAL-MDYRTPRTSA-N 0 0 347.503 3.572 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N[C@@H]3CCO[C@H]3C)cc2s1 ZINC000408401148 1039050972 /nfs/dbraw/zinc/05/09/72/1039050972.db2.gz ACZOGTPJVZXMPK-OIBJUYFYSA-N 0 0 325.821 3.557 10 0 EHAERN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000150951586 1039595004 /nfs/dbraw/zinc/59/50/04/1039595004.db2.gz URVWSLWROMYXIC-HDMKZQKVSA-N 0 0 344.455 3.516 10 0 EHAERN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cn(C)c4ccccc34)C2)nc1C ZINC000364064984 1039607729 /nfs/dbraw/zinc/60/77/29/1039607729.db2.gz TUGCQXQSBMVOAF-MRXNPFEDSA-N 0 0 348.450 3.523 10 0 EHAERN C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000151318054 1040012063 /nfs/dbraw/zinc/01/20/63/1040012063.db2.gz JPIJJAZVDBVFOF-YYFZDKIDSA-N 0 0 327.424 3.690 10 0 EHAERN Cc1ccccc1C(C)(C)CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119397433 1040075457 /nfs/dbraw/zinc/07/54/57/1040075457.db2.gz QLMHANCHUQCUIL-UWJYYQICSA-N 0 0 344.499 3.609 10 0 EHAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCC1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000332917727 1040194054 /nfs/dbraw/zinc/19/40/54/1040194054.db2.gz ZJNIFZWRWOVDMG-CLCXKQKWSA-N 0 0 330.472 3.875 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000153023199 1040361357 /nfs/dbraw/zinc/36/13/57/1040361357.db2.gz PWXJSBYCFJXRRZ-QGPMSJSTSA-N 0 0 330.472 3.550 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)o1 ZINC000245738084 1040496284 /nfs/dbraw/zinc/49/62/84/1040496284.db2.gz BNNVQWOPQVNWAY-CWLKWCNXSA-N 0 0 344.455 3.782 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000253551748 1040934901 /nfs/dbraw/zinc/93/49/01/1040934901.db2.gz HHLNMJYYQWPIQE-GIPNMCIBSA-N 0 0 343.349 3.991 10 0 EHAERN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C=O)cc1 ZINC000111127000 1041542941 /nfs/dbraw/zinc/54/29/41/1041542941.db2.gz PULUNCUKJGSPPC-UGSOOPFHSA-N 0 0 343.810 3.755 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000408111302 1041684994 /nfs/dbraw/zinc/68/49/94/1041684994.db2.gz CVTDRAODJVTSDC-SCTFDZSOSA-N 0 0 338.398 3.673 10 0 EHAERN Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(C)c1 ZINC000408147909 1041802273 /nfs/dbraw/zinc/80/22/73/1041802273.db2.gz JGJZWWJZILIHRC-SXLOBPIMSA-N 0 0 344.499 3.837 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2cc(F)ccc2F)c2ccccc2)[nH]1 ZINC000162485971 1042734535 /nfs/dbraw/zinc/73/45/35/1042734535.db2.gz QFTCZILGYKQSAI-GTNSWQLSSA-N 0 0 328.366 3.832 10 0 EHAERN CC(C)c1nc(C(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1cccc(F)c1 ZINC000330301188 1042864187 /nfs/dbraw/zinc/86/41/87/1042864187.db2.gz IXDWQCBGRICCQV-XJKSGUPXSA-N 0 0 342.418 3.544 10 0 EHAERN Cc1nc(C(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1ccccc1C(C)C ZINC000330332857 1042909965 /nfs/dbraw/zinc/90/99/65/1042909965.db2.gz YEKJGWVDHBISNF-WBVHZDCISA-N 0 0 338.455 3.714 10 0 EHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)CC(C)(C)C1 ZINC000408373777 1044319919 /nfs/dbraw/zinc/31/99/19/1044319919.db2.gz MOHOVYXGRIATOT-HIFRSBDPSA-N 0 0 343.471 3.919 10 0 EHAERN Cc1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000267044585 1127203881 /nfs/dbraw/zinc/20/38/81/1127203881.db2.gz MZEYEGVGOBZAPK-ZDUSSCGKSA-N 0 0 340.445 3.507 10 0 EHAERN CC1(C)C[C@H](NC(=O)NCC2CCSCC2)c2ccccc2O1 ZINC000268487448 1128548831 /nfs/dbraw/zinc/54/88/31/1128548831.db2.gz QLHXDUUTJXKLKW-HNNXBMFYSA-N 0 0 334.485 3.731 10 0 EHAERN Cc1c2cccc(C)c2oc1C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103443849 1132895107 /nfs/dbraw/zinc/89/51/07/1132895107.db2.gz XLCJQZZUBZLKGB-UHFFFAOYSA-N 0 0 346.427 3.694 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000101635887 1135364090 /nfs/dbraw/zinc/36/40/90/1135364090.db2.gz GSOQJUGOIOFYAT-LJQANCHMSA-N 0 0 328.843 3.988 10 0 EHAERN O=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(C(F)(F)F)n1 ZINC000101825676 1135400774 /nfs/dbraw/zinc/40/07/74/1135400774.db2.gz LCDFBIJXEYNQGV-CMDGGOBGSA-N 0 0 344.296 3.696 10 0 EHAERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cccc(Cl)n1 ZINC000101843255 1135409042 /nfs/dbraw/zinc/40/90/42/1135409042.db2.gz QEBWKZJZWDNRLQ-UHFFFAOYSA-N 0 0 339.786 3.650 10 0 EHAERN Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000105754974 1135969285 /nfs/dbraw/zinc/96/92/85/1135969285.db2.gz XLMGIPDYGPHYQY-MRXNPFEDSA-N 0 0 329.440 3.672 10 0 EHAERN O=C(Cn1ccc(=O)c2ccccc21)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103670547 1137469652 /nfs/dbraw/zinc/46/96/52/1137469652.db2.gz ZOCOHCVOKHUDJT-GVDBMIGSSA-N 0 0 339.435 3.904 10 0 EHAERN CCCN(CCC)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567758 1137873342 /nfs/dbraw/zinc/87/33/42/1137873342.db2.gz YQPVYIXNCYARFP-UHFFFAOYSA-N 0 0 333.407 3.855 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000102877513 1137874408 /nfs/dbraw/zinc/87/44/08/1137874408.db2.gz DYAKEMAAPJJBGE-JEBQAFNWSA-N 0 0 326.440 3.686 10 0 EHAERN CC[C@@H](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C(C)C ZINC000104257273 1137877936 /nfs/dbraw/zinc/87/79/36/1137877936.db2.gz IBYFKVUSJRZLQM-KRWDZBQOSA-N 0 0 344.499 3.788 10 0 EHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000333354781 1138280348 /nfs/dbraw/zinc/28/03/48/1138280348.db2.gz SGKKPGMAHGQPSK-WMZOPIPTSA-N 0 0 341.455 3.719 10 0 EHAERN O=C(Cc1cc2c(ccc3ccccc23)o1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333696203 1138321381 /nfs/dbraw/zinc/32/13/81/1138321381.db2.gz BKDRGRFTNTWGCV-YESZJQIVSA-N 0 0 349.430 3.748 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCOc3ccccc32)cs1 ZINC000186258572 1140194858 /nfs/dbraw/zinc/19/48/58/1140194858.db2.gz ZBJUFQNUXFPWFY-ZBFHGGJFSA-N 0 0 343.452 3.822 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc([C@@H](C)O)cc2)cs1 ZINC000186706177 1140217918 /nfs/dbraw/zinc/21/79/18/1140217918.db2.gz MLZVNHLMZNXRFN-PXAZEXFGSA-N 0 0 345.468 3.552 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCOCc2ccccc2)cs1 ZINC000186985960 1140231190 /nfs/dbraw/zinc/23/11/90/1140231190.db2.gz CCDPPQQAUZUTSQ-KRWDZBQOSA-N 0 0 345.468 3.515 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(=O)[nH]c3ccccc32)cs1 ZINC000187058586 1140235204 /nfs/dbraw/zinc/23/52/04/1140235204.db2.gz OZIJYXPUNQXIDG-INIZCTEOSA-N 0 0 339.420 3.683 10 0 EHAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2csc(C)n2)c1C ZINC000187079240 1140237093 /nfs/dbraw/zinc/23/70/93/1140237093.db2.gz PJRHAROJCDOKLY-AWEZNQCLSA-N 0 0 331.441 3.576 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)nc2)cs1 ZINC000187099647 1140238251 /nfs/dbraw/zinc/23/82/51/1140238251.db2.gz BBWKIQUJARRRGP-LBPRGKRZSA-N 0 0 341.358 3.843 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)c2ccc(Cl)cc2)cs1 ZINC000187120785 1140240389 /nfs/dbraw/zinc/24/03/89/1140240389.db2.gz VWYCYGBZVYXBST-AWEZNQCLSA-N 0 0 334.828 3.651 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2ccccc2F)cs1 ZINC000189428924 1140343235 /nfs/dbraw/zinc/34/32/35/1140343235.db2.gz ABTZREZZKHVDQR-INIZCTEOSA-N 0 0 333.432 3.680 10 0 EHAERN COC(=O)c1cc(CN2CCC[C@H]2c2csc(C)n2)c(C)s1 ZINC000189749207 1140362424 /nfs/dbraw/zinc/36/24/24/1140362424.db2.gz CLVBBZLVGWRDNX-AWEZNQCLSA-N 0 0 336.482 3.945 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C)ccc2C)cs1 ZINC000189752081 1140362726 /nfs/dbraw/zinc/36/27/26/1140362726.db2.gz MDHPFYYOBTZAQD-KRWDZBQOSA-N 0 0 329.469 3.844 10 0 EHAERN Cc1nc([C@@H]2CCCN2CCC(=O)Nc2ccccc2F)cs1 ZINC000189812464 1140365350 /nfs/dbraw/zinc/36/53/50/1140365350.db2.gz NLPSLMJOSGXXJJ-INIZCTEOSA-N 0 0 333.432 3.756 10 0 EHAERN CCCc1nc(-c2cc3c(c(Br)c2)OCO3)c(N)s1 ZINC000050308333 214053228 /nfs/dbraw/zinc/05/32/28/214053228.db2.gz UXWUEEVPTBJDFB-UHFFFAOYSA-N 0 0 341.230 3.836 10 0 EHAERN Nc1ccc(F)c(F)c1Nc1cccc(I)c1 ZINC000053164176 214167148 /nfs/dbraw/zinc/16/71/48/214167148.db2.gz CHEPHJMVYXDKQV-UHFFFAOYSA-N 0 0 346.118 3.895 10 0 EHAERN Nc1cc2c(cc1Sc1cccc(Br)c1)OCCO2 ZINC000055306639 214304374 /nfs/dbraw/zinc/30/43/74/214304374.db2.gz JYUZEZZJYVMBBV-UHFFFAOYSA-N 0 0 338.226 3.954 10 0 EHAERN O=C(c1ccccc1Cl)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000055525623 214327607 /nfs/dbraw/zinc/32/76/07/214327607.db2.gz ILUDCDHJAFZLTD-UHFFFAOYSA-N 0 0 348.874 3.595 10 0 EHAERN Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000056354009 214373148 /nfs/dbraw/zinc/37/31/48/214373148.db2.gz WZRVRTFMJCFUGD-SSDOTTSWSA-N 0 0 330.190 3.665 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(C)c3)n2)cc1 ZINC000057341824 214420877 /nfs/dbraw/zinc/42/08/77/214420877.db2.gz ARGCVWDPDVTRKM-UHFFFAOYSA-N 0 0 325.343 3.637 10 0 EHAERN CC(C)CN(C)c1ccccc1C[S@](=O)c1nc2ccccc2[nH]1 ZINC000004626804 210235366 /nfs/dbraw/zinc/23/53/66/210235366.db2.gz PSIREIZGKQBEEO-XMMPIXPASA-N 0 0 341.480 3.963 10 0 investigational EHAERN C[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccc2c(c1)NCCO2 ZINC000098088089 219082112 /nfs/dbraw/zinc/08/21/12/219082112.db2.gz KJKISBSTHVUMEV-FNOHHLHBSA-N 0 0 326.371 3.521 10 0 EHAERN CCOC(=O)c1sc(Br)nc1COc1ccccc1 ZINC000098177722 219086697 /nfs/dbraw/zinc/08/66/97/219086697.db2.gz QJEMVESMMICCIF-UHFFFAOYSA-N 0 0 342.214 3.661 10 0 EHAERN O=c1c(NCc2ccccc2)c(Cl)cnn1Cc1ccccc1 ZINC000098181247 219086761 /nfs/dbraw/zinc/08/67/61/219086761.db2.gz VMFKIPVJYDHROW-UHFFFAOYSA-N 0 0 325.799 3.557 10 0 EHAERN Oc1ccc([C@@H]2N=C(c3ccncc3)C(c3ccc(F)cc3)=N2)cc1 ZINC000100238955 219094821 /nfs/dbraw/zinc/09/48/21/219094821.db2.gz JDHBYZUNDSIDFC-FQEVSTJZSA-N 0 0 331.350 3.917 10 0 EHAERN CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(F)cc1)CSC2 ZINC000004341912 210176580 /nfs/dbraw/zinc/17/65/80/210176580.db2.gz XDQBBALIMBJJIX-UHFFFAOYSA-N 0 0 349.431 3.542 10 0 EHAERN COc1ccc(N2C[C@@H](c3noc(C4CCCCC4)n3)CC2=O)cc1 ZINC000065259462 214856249 /nfs/dbraw/zinc/85/62/49/214856249.db2.gz SARRMUAXQPOUNO-AWEZNQCLSA-N 0 0 341.411 3.646 10 0 EHAERN Nc1c(Nc2cccnc2Cl)ncnc1NC1CCCCCC1 ZINC000040800956 213388005 /nfs/dbraw/zinc/38/80/05/213388005.db2.gz KRUKGXNPMIGUMK-UHFFFAOYSA-N 0 0 332.839 3.986 10 0 EHAERN Nc1c(Nc2ccccc2Cl)ncnc1-n1cnc2ccccc21 ZINC000040781384 213385780 /nfs/dbraw/zinc/38/57/80/213385780.db2.gz AXCRKOHJKSAVFM-UHFFFAOYSA-N 0 0 336.786 3.795 10 0 EHAERN Nc1c(Nc2ccccc2F)ncnc1Nc1cccnc1Cl ZINC000040759352 213382779 /nfs/dbraw/zinc/38/27/79/213382779.db2.gz IIGZPRTUDCRKDH-UHFFFAOYSA-N 0 0 330.754 3.734 10 0 EHAERN CC(C)CN(CC(C)C)c1ncnc(NNc2ccccc2)c1N ZINC000040735570 213379588 /nfs/dbraw/zinc/37/95/88/213379588.db2.gz OONAVNMGFFECIU-UHFFFAOYSA-N 0 0 328.464 3.616 10 0 EHAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccccn2)c1N ZINC000040703271 213371239 /nfs/dbraw/zinc/37/12/39/213371239.db2.gz XQZMNKIZOLMZNK-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN COc1cccc(Nc2ncnc(Nc3cccnc3Cl)c2N)c1 ZINC000040688145 213368926 /nfs/dbraw/zinc/36/89/26/213368926.db2.gz BUOOLTNFPZJUHD-UHFFFAOYSA-N 0 0 342.790 3.603 10 0 EHAERN Nc1c(Nc2cccnc2Cl)ncnc1N1CCc2ccccc21 ZINC000040687467 213368984 /nfs/dbraw/zinc/36/89/84/213368984.db2.gz RVTYPYCKGFRBQA-UHFFFAOYSA-N 0 0 338.802 3.545 10 0 EHAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)c1 ZINC000040684613 213369080 /nfs/dbraw/zinc/36/90/80/213369080.db2.gz LCQOCTPLHAPLPH-UHFFFAOYSA-N 0 0 349.394 3.892 10 0 EHAERN CC(C)(C)Nc1ncnc(Oc2ccc(Br)cc2)c1N ZINC000040680760 213368268 /nfs/dbraw/zinc/36/82/68/213368268.db2.gz IDNRZONJMQKISM-UHFFFAOYSA-N 0 0 337.221 3.824 10 0 EHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(Br)cc2)c(N)c1 ZINC000040354763 213291726 /nfs/dbraw/zinc/29/17/26/213291726.db2.gz UAQZRGOTYLAMJU-NSHDSACASA-N 0 0 334.213 3.990 10 0 EHAERN Cc1c(Cl)cccc1NC(=O)c1cn(C)c2c(F)cccc2c1=O ZINC000039963060 213246609 /nfs/dbraw/zinc/24/66/09/213246609.db2.gz NDSDMUAEJNBQNI-UHFFFAOYSA-N 0 0 344.773 3.892 10 0 EHAERN CCCCc1oc2c(c1-c1ccc(C(=O)OC)cc1)c(=O)ccn2C ZINC000039127101 213231853 /nfs/dbraw/zinc/23/18/53/213231853.db2.gz UYGLYNKIOXGHAB-UHFFFAOYSA-N 0 0 339.391 3.928 10 0 EHAERN CC[C@H](C)c1ccc(OC[C@@H](O)COCC(F)(F)C(F)F)cc1 ZINC000038877109 213230020 /nfs/dbraw/zinc/23/00/20/213230020.db2.gz CJBQJVABOFLHNY-AAEUAGOBSA-N 0 0 338.341 3.857 10 0 EHAERN CC[C@H](C)c1ccc(OC[C@H](O)COCC(F)(F)C(F)F)cc1 ZINC000038877105 213230136 /nfs/dbraw/zinc/23/01/36/213230136.db2.gz CJBQJVABOFLHNY-WCQYABFASA-N 0 0 338.341 3.857 10 0 EHAERN COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000069664162 215526207 /nfs/dbraw/zinc/52/62/07/215526207.db2.gz LAXZDQJUVGWFHX-ROUUACIJSA-N 0 0 347.418 3.505 10 0 EHAERN CCOC(=O)[C@](C)(N[C@H](C)CC)c1ccccc1Br ZINC000038067712 213199732 /nfs/dbraw/zinc/19/97/32/213199732.db2.gz NDHNQXKSDJLWKY-IAQYHMDHSA-N 0 0 328.250 3.616 10 0 EHAERN Nc1ccc(Cl)c(Nc2ccccc2S(=O)(=O)C(F)F)c1 ZINC000038033873 213194788 /nfs/dbraw/zinc/19/47/88/213194788.db2.gz BFZREMGIJRBYMA-UHFFFAOYSA-N 0 0 332.759 3.662 10 0 EHAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000069741204 215561842 /nfs/dbraw/zinc/56/18/42/215561842.db2.gz RQVFQLAOIUURGT-LRDDRELGSA-N 0 0 345.830 3.518 10 0 EHAERN CCOC(=O)[C@](C)(NC1CCCC1)c1ccccc1Br ZINC000037970571 213177792 /nfs/dbraw/zinc/17/77/92/213177792.db2.gz WWJULHSTLPALGC-MRXNPFEDSA-N 0 0 340.261 3.760 10 0 EHAERN CCOC(=O)[C@](C)(NCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000037973762 213177210 /nfs/dbraw/zinc/17/72/10/213177210.db2.gz WYMXFGJWWWCPMK-GFCCVEGCSA-N 0 0 344.160 3.924 10 0 EHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1nc(Cl)ccc1Cl ZINC000037976447 213180302 /nfs/dbraw/zinc/18/03/02/213180302.db2.gz ABDMPKGPIWSWFG-UHFFFAOYSA-N 0 0 325.239 3.943 10 0 EHAERN CNC(=O)c1cc(NCc2ccc(Br)o2)ccc1Cl ZINC000037778795 213166688 /nfs/dbraw/zinc/16/66/88/213166688.db2.gz PTPAZIUQXBMLFR-UHFFFAOYSA-N 0 0 343.608 3.667 10 0 EHAERN COc1cc(CNc2cccc(O)c2)cc(Br)c1OC ZINC000036815624 213120534 /nfs/dbraw/zinc/12/05/34/213120534.db2.gz CHMNYKOQAJJDIU-UHFFFAOYSA-N 0 0 338.201 3.784 10 0 EHAERN CCNC(=O)N(Cc1csc(COc2cccc(C)c2)n1)C(C)C ZINC000036115148 213070051 /nfs/dbraw/zinc/07/00/51/213070051.db2.gz NMANACZGUNSXHM-UHFFFAOYSA-N 0 0 347.484 3.970 10 0 EHAERN COc1ccc(N)cc1OCc1ccc(Br)cc1F ZINC000035284926 213017053 /nfs/dbraw/zinc/01/70/53/213017053.db2.gz PQVXECNEUCLSQE-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN c1nc2c(ncnc2CCOCc2ccccc2)n1Cc1ccccc1 ZINC000035070936 213006857 /nfs/dbraw/zinc/00/68/57/213006857.db2.gz RHTDITJHFSZXHV-UHFFFAOYSA-N 0 0 344.418 3.634 10 0 EHAERN O=C(C=Cc1ccc(Cl)c(Cl)c1)N=c1[nH]c2ccccc2[nH]1 ZINC000034780823 212986732 /nfs/dbraw/zinc/98/67/32/212986732.db2.gz JGSMLYBIIFTHDY-VURMDHGXSA-N 0 0 332.190 3.944 10 0 EHAERN O=C(Nc1c(F)cc(F)cc1Br)c1ccccc1O ZINC000037389456 213143602 /nfs/dbraw/zinc/14/36/02/213143602.db2.gz OQQRGYCXPHCQDM-UHFFFAOYSA-N 0 0 328.112 3.685 10 0 EHAERN CCCCCN1CN(c2ccc(C)cc2)c2nc(C)c(C)c(=O)n2C1 ZINC000072441795 216235116 /nfs/dbraw/zinc/23/51/16/216235116.db2.gz JPDWGRWTJFVJRV-UHFFFAOYSA-N 0 0 340.471 3.727 10 0 EHAERN COC(=O)[C@H](Nc1ccccc1Br)c1ccsc1 ZINC000037959997 213176401 /nfs/dbraw/zinc/17/64/01/213176401.db2.gz RJHHFIUPFBGZLF-GFCCVEGCSA-N 0 0 326.215 3.837 10 0 EHAERN C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000073655036 216406972 /nfs/dbraw/zinc/40/69/72/216406972.db2.gz BKAOGRHFXDDISZ-GOEBONIOSA-N 0 0 348.443 3.763 10 0 EHAERN O=C(Cn1cc(Br)cn1)c1ccc(Cl)c(Cl)c1 ZINC000038054534 213198465 /nfs/dbraw/zinc/19/84/65/213198465.db2.gz GWAOXUSZTHFAHE-UHFFFAOYSA-N 0 0 334.000 3.835 10 0 EHAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000022705315 212318663 /nfs/dbraw/zinc/31/86/63/212318663.db2.gz MJRQIUOJZABSPX-CXAGYDPISA-N 0 0 328.387 3.609 10 0 EHAERN COCOc1c(Br)cc(Cl)cc1Br ZINC000022001308 212268431 /nfs/dbraw/zinc/26/84/31/212268431.db2.gz BNAUXDLKETXAKN-UHFFFAOYSA-N 0 0 330.403 3.848 10 0 EHAERN C[N@H+](CCCNc1cc(C(=O)[O-])c2ccccc2n1)C1CCCCC1 ZINC000021715239 212242151 /nfs/dbraw/zinc/24/21/51/212242151.db2.gz TUKPVBAWGUQCJL-UHFFFAOYSA-N 0 0 341.455 4.000 10 0 EHAERN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(F)c1)C(C)C ZINC000021216832 212216537 /nfs/dbraw/zinc/21/65/37/212216537.db2.gz JAWCYZHCPBPZTA-QGZVFWFLSA-N 0 0 328.387 3.527 10 0 EHAERN CCC(=O)Oc1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000021026010 212200286 /nfs/dbraw/zinc/20/02/86/212200286.db2.gz JZMRPGHOUXRXKX-UHFFFAOYSA-N 0 0 333.771 3.916 10 0 EHAERN CC1(C)CC/C(=C\c2ccc(Cl)cc2)C[C@]1(O)Cn1cncn1 ZINC000020568273 212147867 /nfs/dbraw/zinc/14/78/67/212147867.db2.gz ZYOXYTLRRYJNTO-DWCFMXGVSA-N 0 0 331.847 3.956 10 0 EHAERN COCc1nsc(N2CC[C@H](Cc3ccc(C(F)F)cc3)C2)n1 ZINC000253419249 243950618 /nfs/dbraw/zinc/95/06/18/243950618.db2.gz IZXASHLFWQDEAX-GFCCVEGCSA-N 0 0 339.411 3.691 10 0 EHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1c(C)cc(Br)cc1C ZINC000020420381 212127778 /nfs/dbraw/zinc/12/77/78/212127778.db2.gz SMHVPYSYPBJFNG-NWDGAFQWSA-N 0 0 327.266 3.781 10 0 EHAERN Nc1cc(NC(=O)c2ccccc2Br)ccc1Cl ZINC000020343247 212121652 /nfs/dbraw/zinc/12/16/52/212121652.db2.gz FFZBFXZHQAIZFQ-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN COc1cc(N)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000020343818 212121235 /nfs/dbraw/zinc/12/12/35/212121235.db2.gz LQBJZXONKUDLML-UHFFFAOYSA-N 0 0 341.194 3.602 10 0 EHAERN CC[C@@H](CO)Nc1ncnc2sc(C)c(-c3ccc(F)cc3)c21 ZINC000020321489 212119034 /nfs/dbraw/zinc/11/90/34/212119034.db2.gz HQADALYEXFTYFZ-ZDUSSCGKSA-N 0 0 331.416 3.989 10 0 EHAERN Cc1cc(OC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc(C)c1N ZINC000077273749 216860594 /nfs/dbraw/zinc/86/05/94/216860594.db2.gz OVJPPSZSLZBMHO-HNNXBMFYSA-N 0 0 348.443 3.581 10 0 in-vitro EHAERN O=C(CNc1ccc2c(c1)CCC2)Nc1cccc(Br)c1 ZINC000020048669 212097927 /nfs/dbraw/zinc/09/79/27/212097927.db2.gz DDPIQUSYEYUDRB-UHFFFAOYSA-N 0 0 345.240 3.988 10 0 EHAERN Cc1cc(NC(=O)[C@H]2CNc3ccccc3O2)ccc1Br ZINC000019514806 212034985 /nfs/dbraw/zinc/03/49/85/212034985.db2.gz NSELBHDSNOZETA-OAHLLOKOSA-N 0 0 347.212 3.569 10 0 EHAERN Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000019488386 212032474 /nfs/dbraw/zinc/03/24/74/212032474.db2.gz OMQPARWWEFTMOM-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN COc1cc(/C=C2\SC(=N)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000015052954 211791942 /nfs/dbraw/zinc/79/19/42/211791942.db2.gz ZHCQMGGXKNRNOK-MVSXMAMESA-N 0 0 340.404 3.765 10 0 EHAERN CC(C)(C)OC(=O)NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000085346282 217660063 /nfs/dbraw/zinc/66/00/63/217660063.db2.gz GJGUEVSHDRMSBO-UHFFFAOYSA-N 0 0 342.443 3.570 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2ccc(C)cc2C)n1C(=O)CC ZINC000011638081 211227465 /nfs/dbraw/zinc/22/74/65/211227465.db2.gz UBFONJMFFFVQBK-ZCXUNETKSA-N 0 0 332.425 3.764 10 0 EHAERN Cc1c(C[NH2+]C(C)(C)C)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000008932423 211019770 /nfs/dbraw/zinc/01/97/70/211019770.db2.gz SQJISRVHNQVUNK-UHFFFAOYSA-N 0 0 332.419 3.879 10 0 EHAERN COc1ccccc1N[C@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000005929234 210561176 /nfs/dbraw/zinc/56/11/76/210561176.db2.gz HHNZEWYZQLJASR-AWEZNQCLSA-N 0 0 325.195 3.641 10 0 EHAERN COc1ccccc1N[C@@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000005929236 210561090 /nfs/dbraw/zinc/56/10/90/210561090.db2.gz HHNZEWYZQLJASR-CQSZACIVSA-N 0 0 325.195 3.641 10 0 EHAERN CC[C@@H](C)[C@H]1COC(c2cccn2Cc2cccc(OC)c2OC)=N1 ZINC000004970707 210343762 /nfs/dbraw/zinc/34/37/62/210343762.db2.gz LDAQNSQAVJJAGW-GDBMZVCRSA-N 0 0 342.439 3.745 10 0 EHAERN COc1ccccc1CCc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299740776 258010467 /nfs/dbraw/zinc/01/04/67/258010467.db2.gz BRYILPHJDLTXPP-YOEHRIQHSA-N 0 0 330.428 3.782 10 0 EHAERN CCn1c(=O)c(SCc2cccs2)nnc1-c1ccccc1 ZINC000334162809 258015878 /nfs/dbraw/zinc/01/58/78/258015878.db2.gz RYIXZYXRMUFRMR-UHFFFAOYSA-N 0 0 329.450 3.679 10 0 EHAERN COc1ccc(OCCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000042850584 524941215 /nfs/dbraw/zinc/94/12/15/524941215.db2.gz HRNXELOAHPGCPD-STQMWFEESA-N 0 0 345.361 3.701 10 0 EHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C[C@@H](C)C3CCCCC3)C2)n1 ZINC000116772977 526761043 /nfs/dbraw/zinc/76/10/43/526761043.db2.gz DKMSSDOHMFRYJX-QAPCUYQASA-N 0 0 346.519 3.740 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2nc(C)c(C)s2)cs1 ZINC000186967198 527049100 /nfs/dbraw/zinc/04/91/00/527049100.db2.gz LRDBQBBXHSOYAY-ZDUSSCGKSA-N 0 0 336.486 3.572 10 0 EHAERN CN1Cc2c3c(cc(O)c2-c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000000895672 560178879 /nfs/dbraw/zinc/17/88/79/560178879.db2.gz UYMYPMGPARAZNU-UHFFFAOYSA-N 0 0 349.342 3.620 10 0 in-vitro EHAERN COc1cccc2ccc(CN3CCN(c4ccccc4)CC3)nc21 ZINC000020911749 563860003 /nfs/dbraw/zinc/86/00/03/563860003.db2.gz LGUFKMSLCDLAFB-UHFFFAOYSA-N 0 0 333.435 3.566 10 0 EHAERN CCCC(=O)N[C@H]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000044137816 563926257 /nfs/dbraw/zinc/92/62/57/563926257.db2.gz RNXOBYKNSDWELN-UONOGXRCSA-N 0 0 326.234 3.586 10 0 EHAERN CC(C)(C)OC(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000405993080 563930595 /nfs/dbraw/zinc/93/05/95/563930595.db2.gz TWAVHOYQZOALBU-SNAWJCMRSA-N 0 0 341.201 3.575 10 0 EHAERN CCn1c([C@@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)nc2cccnc21 ZINC000097944804 563956589 /nfs/dbraw/zinc/95/65/89/563956589.db2.gz LWGCXIHQBHNOHB-OAHLLOKOSA-N 0 0 349.438 3.781 10 0 EHAERN O=C(NCCC1CC(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000409434455 563962145 /nfs/dbraw/zinc/96/21/45/563962145.db2.gz XIABDBCAEJBVKA-UHFFFAOYSA-N 0 0 335.403 3.894 10 0 EHAERN CC(C)(C)NC(=O)Cn1c(-c2ccccc2)cn2c3ccccc3nc21 ZINC000033330871 563974360 /nfs/dbraw/zinc/97/43/60/563974360.db2.gz FPZRATHYPUXMOP-UHFFFAOYSA-N 0 0 346.434 3.871 10 0 EHAERN COc1ccc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc1 ZINC000021533548 564051091 /nfs/dbraw/zinc/05/10/91/564051091.db2.gz YMIWZNPUOOMICB-UHFFFAOYSA-N 0 0 325.412 3.579 10 0 EHAERN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862327 564076998 /nfs/dbraw/zinc/07/69/98/564076998.db2.gz PZFIFYYNRNJCGV-UHFFFAOYSA-N 0 0 330.790 3.953 10 0 EHAERN CC[C@@H]1CN(CC(=O)NCc2ccc(F)cc2)c2ccccc2S1 ZINC000015865198 564077160 /nfs/dbraw/zinc/07/71/60/564077160.db2.gz XPRHBFOGJVTBTF-MRXNPFEDSA-N 0 0 344.455 3.833 10 0 EHAERN Cn1nc(C(=O)Nc2ccccc2Cc2cccnc2)c2c1CCCC2 ZINC000575603280 564082273 /nfs/dbraw/zinc/08/22/73/564082273.db2.gz YKVZQBXRDIODKL-UHFFFAOYSA-N 0 0 346.434 3.537 10 0 EHAERN CCOc1cc(C)c(NC(=O)[C@H]2CCC(=O)c3cccn32)cc1C ZINC000575603722 564082302 /nfs/dbraw/zinc/08/23/02/564082302.db2.gz RRJNPZNRWUCLTG-MRXNPFEDSA-N 0 0 326.396 3.660 10 0 EHAERN O=C(Nc1ccc(-c2ccsc2)cc1)c1cn[nH]c1[C@H]1CCOC1 ZINC000575603125 564087125 /nfs/dbraw/zinc/08/71/25/564087125.db2.gz AMJCKXFMICKPRQ-ZDUSSCGKSA-N 0 0 339.420 3.894 10 0 EHAERN CC(C)(C)CC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168650 564102158 /nfs/dbraw/zinc/10/21/58/564102158.db2.gz AXSOBYPMYHNVPP-UHFFFAOYSA-N 0 0 327.403 3.604 10 0 EHAERN O=[S@]([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000675062153 564112388 /nfs/dbraw/zinc/11/23/88/564112388.db2.gz HZNHTPBQIXKOCU-DLBZAZTESA-N 0 0 335.856 3.530 10 0 EHAERN Cc1ccc(-c2cc(C3CCN(C(=O)c4ccncc4)CC3)[nH]n2)cc1 ZINC000075876185 564113064 /nfs/dbraw/zinc/11/30/64/564113064.db2.gz LTVXSOWJHIAJIN-UHFFFAOYSA-N 0 0 346.434 3.800 10 0 EHAERN Cc1ccc(-c2c(I)[nH]nc2C(F)F)cc1 ZINC000675077126 564113443 /nfs/dbraw/zinc/11/34/43/564113443.db2.gz YGGPXMXVTILTHU-UHFFFAOYSA-N 0 0 334.107 3.927 10 0 EHAERN O=C(NC(=S)NCCc1ccccc1)c1ccc2ccccc2c1 ZINC000048523370 564129247 /nfs/dbraw/zinc/12/92/47/564129247.db2.gz SHJWCGIYTPBAPM-UHFFFAOYSA-N 0 0 334.444 3.687 10 0 EHAERN Clc1ccc(Cc2nc3n(n2)N=C(c2ccccc2)CS3)cc1 ZINC000048554824 564129409 /nfs/dbraw/zinc/12/94/09/564129409.db2.gz BIVXVHHJHCIYOV-UHFFFAOYSA-N 0 0 340.839 3.880 10 0 EHAERN CCc1ncsc1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21 ZINC000328614222 564136891 /nfs/dbraw/zinc/13/68/91/564136891.db2.gz ABAHEQCKFKIQIR-LLVKDONJSA-N 0 0 335.498 3.663 10 0 EHAERN C[C@H](COCc1ccccc1)CC(=O)CN(C)C(=O)OC(C)(C)C ZINC000685962382 564177265 /nfs/dbraw/zinc/17/72/65/564177265.db2.gz FPXRXGXDSZXGSA-HNNXBMFYSA-N 0 0 335.444 3.665 10 0 EHAERN C[C@H](CNC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405734868 564177586 /nfs/dbraw/zinc/17/75/86/564177586.db2.gz VWCYCJDFCSTYBH-OAHLLOKOSA-N 0 0 335.444 3.713 10 0 EHAERN CCOC(=O)C(C)(C)[C@H](O)c1ccc(Br)c(Cl)c1 ZINC000233645534 564177639 /nfs/dbraw/zinc/17/76/39/564177639.db2.gz IGUGDTFIIUDVPA-LLVKDONJSA-N 0 0 335.625 3.725 10 0 EHAERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1ccc(OCc2ccccc2)cc1 ZINC000381730526 564177706 /nfs/dbraw/zinc/17/77/06/564177706.db2.gz UTGIXLZEJWRNSI-ROUUACIJSA-N 0 0 332.783 3.619 10 0 EHAERN Cc1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)oc1C(=O)[O-] ZINC000702222158 977071109 /nfs/dbraw/zinc/07/11/09/977071109.db2.gz OLOBXUSERUUUAU-UHFFFAOYSA-N 0 0 343.423 3.763 10 0 EHAERN C[C@H]1C[N@H+](Cc2cc(Br)ccc2Cl)C[C@]1(C)C(=O)[O-] ZINC000710310777 977502883 /nfs/dbraw/zinc/50/28/83/977502883.db2.gz XCMDHLBLEXXUIQ-XPTSAGLGSA-N 0 0 346.652 3.645 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000151879973 1015750905 /nfs/dbraw/zinc/75/09/05/1015750905.db2.gz KQGFRAZZZQKWTN-MWDXBVQZSA-N 0 0 332.492 3.617 10 0 EHAERN CC[C@]1(c2ccc(N[C@@H](C)c3ccoc3)cc2)CCC(=O)NC1=O ZINC000182740403 1032126312 /nfs/dbraw/zinc/12/63/12/1032126312.db2.gz PSBCZTWNIHVMOE-ORAYPTAESA-N 0 0 326.396 3.537 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@H](C)C[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000407969689 1016572614 /nfs/dbraw/zinc/57/26/14/1016572614.db2.gz JJVBNOWFLZQXPA-XHSDSOJGSA-N 0 0 347.507 3.533 10 0 EHAERN O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)c1cccc(O)c1 ZINC000184001087 1032223055 /nfs/dbraw/zinc/22/30/55/1032223055.db2.gz ZLDKKRXJOXXSCV-UHFFFAOYSA-N 0 0 349.795 3.675 10 0 EHAERN O=C(Nc1cccc(Oc2ccncc2)c1)[C@@H]1CCCn2ccnc21 ZINC000080652451 1032223439 /nfs/dbraw/zinc/22/34/39/1032223439.db2.gz IECJRNVPSDEFIP-QGZVFWFLSA-N 0 0 334.379 3.587 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccncc3F)C2)cc1 ZINC000184148221 1032258313 /nfs/dbraw/zinc/25/83/13/1032258313.db2.gz GFCWFMRUPXUEPH-JSGCOSHPSA-N 0 0 329.375 3.639 10 0 EHAERN CCSc1cc(Cl)ccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000184219122 1032274054 /nfs/dbraw/zinc/27/40/54/1032274054.db2.gz GMXAUOBJXUKNJM-WBVHZDCISA-N 0 0 347.867 3.840 10 0 EHAERN COc1ccc(C[C@H](C)Nc2cccc3c2OCC[C@H]3O)cc1OC ZINC000184572348 1032298102 /nfs/dbraw/zinc/29/81/02/1032298102.db2.gz DTIHXLWFOLETOJ-SUMWQHHRSA-N 0 0 343.423 3.563 10 0 EHAERN OCC[C@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccco1 ZINC000185069495 1032361654 /nfs/dbraw/zinc/36/16/54/1032361654.db2.gz GNFDWQNOLGPRJB-AWEZNQCLSA-N 0 0 332.787 3.801 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)[C@H]1CCC(=O)c2cccn21 ZINC000332921797 1017274403 /nfs/dbraw/zinc/27/44/03/1017274403.db2.gz RRAYJXHPRVAILZ-IEBWSBKVSA-N 0 0 336.435 3.836 10 0 EHAERN CCC[C@@H](C)CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185520684 1032438266 /nfs/dbraw/zinc/43/82/66/1032438266.db2.gz XGUNVPWYMIHCQZ-FZKQIMNGSA-N 0 0 334.435 3.562 10 0 EHAERN Cc1cc(C(=O)N2CC3(CCCC3)c3ccccc32)c2cnn(C)c2n1 ZINC000081578546 1032580972 /nfs/dbraw/zinc/58/09/72/1032580972.db2.gz PWUXWNPEGYFFBZ-UHFFFAOYSA-N 0 0 346.434 3.749 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000176146181 1017313360 /nfs/dbraw/zinc/31/33/60/1017313360.db2.gz VBXVOHUIAYQUDH-LSDHHAIUSA-N 0 0 343.452 3.904 10 0 EHAERN CC(C)c1ncsc1NC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000333207224 1018849864 /nfs/dbraw/zinc/84/98/64/1018849864.db2.gz SMKQVXMODVMYAQ-LBPRGKRZSA-N 0 0 333.461 3.615 10 0 EHAERN C[C@@]12CN(C(=O)CCc3nc(C4CCCC4)no3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333499899 1019795384 /nfs/dbraw/zinc/79/53/84/1019795384.db2.gz KFDVPEFRDZLWKJ-OLPIVMHESA-N 0 0 343.471 3.554 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cn1 ZINC000588388765 1020028238 /nfs/dbraw/zinc/02/82/38/1020028238.db2.gz MUTFSMFQMPCISI-FPLPWBNLSA-N 0 0 346.305 3.652 10 0 EHAERN CC(C)(C)/C=C\C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392260 1020178331 /nfs/dbraw/zinc/17/83/31/1020178331.db2.gz HQMJJUMNHOSBLI-YUQCYMQKSA-N 0 0 338.455 3.780 10 0 EHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)/C=C\c3ccncn3)sc2C1 ZINC000588396777 1020302870 /nfs/dbraw/zinc/30/28/70/1020302870.db2.gz PYCTZZFUPCGZDU-HWPRWLFBSA-N 0 0 342.468 3.736 10 0 EHAERN C[C@H]1CCCN(C(=O)Nc2ccccc2N2CCCCCC2)[C@@H]1CO ZINC000089856642 1020316957 /nfs/dbraw/zinc/31/69/57/1020316957.db2.gz CVGXTALUCIFZJF-QFBILLFUSA-N 0 0 345.487 3.692 10 0 EHAERN COc1c(C)cc(CN(C)C(=O)/C=C\c2ccc(O)cc2)cc1C ZINC000588415290 1021017609 /nfs/dbraw/zinc/01/76/09/1021017609.db2.gz HMFWOYCBXSXXPR-YFHOEESVSA-N 0 0 325.408 3.689 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C(C)(C)c1ccccc1 ZINC000246546366 1021454917 /nfs/dbraw/zinc/45/49/17/1021454917.db2.gz AVUWFLAKJCHNTC-DJPFJPOOSA-N 0 0 344.499 3.689 10 0 EHAERN C[C@@H]1CC(C(=O)Nc2nnc(CC3CCCCC3)s2)C[C@@H](C)O1 ZINC000094120113 1022102891 /nfs/dbraw/zinc/10/28/91/1022102891.db2.gz WHTKEXYOPNCQGA-VXGBXAGGSA-N 0 0 337.489 3.803 10 0 EHAERN O=C(CCCc1c[nH]c2ccccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127579121 1022374310 /nfs/dbraw/zinc/37/43/10/1022374310.db2.gz JDOGHYVBCMTTSN-UTKZUKDTSA-N 0 0 340.467 3.644 10 0 EHAERN Cc1c([C@H](C)NC(=O)N[C@@H](C)c2ccc(Cl)s2)cnn1C ZINC000049272853 1022450931 /nfs/dbraw/zinc/45/09/31/1022450931.db2.gz LBIOJLUHBVKIOV-IUCAKERBSA-N 0 0 326.853 3.565 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)[nH]1 ZINC000328759353 1022482281 /nfs/dbraw/zinc/48/22/81/1022482281.db2.gz WJQDQNJVPHVBCX-OAGGEKHMSA-N 0 0 344.846 3.624 10 0 EHAERN C[C@@H](OC(=O)/C=C\c1ccncn1)c1ccccc1Br ZINC000588444146 1022510252 /nfs/dbraw/zinc/51/02/52/1022510252.db2.gz WGRKQHZPKGLEEN-JMEBYUIHSA-N 0 0 333.185 3.557 10 0 EHAERN COCC1(c2noc([C@@H]3CCC[C@H]4CCCC[C@H]43)n2)CCOCC1 ZINC000328866943 1022521484 /nfs/dbraw/zinc/52/14/84/1022521484.db2.gz GUYLWKYSHGYNJI-BZUAXINKSA-N 0 0 334.460 3.838 10 0 EHAERN O=S(=O)(c1cccc(F)c1F)N(Cc1ccco1)C1CCCC1 ZINC000101573051 1022544256 /nfs/dbraw/zinc/54/42/56/1022544256.db2.gz JNVMNSBCMWEYJD-UHFFFAOYSA-N 0 0 341.379 3.691 10 0 EHAERN C[C@@]1(CNC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCCS1 ZINC000120939148 1022546778 /nfs/dbraw/zinc/54/67/78/1022546778.db2.gz YHOWZGSCSYTQFJ-KSSFIOAISA-N 0 0 334.485 3.874 10 0 EHAERN CC(C)c1noc(CCCNC(=O)N(C)[C@H](C)c2ccccc2)n1 ZINC000101609493 1022570916 /nfs/dbraw/zinc/57/09/16/1022570916.db2.gz YTMYAGIZYQQHKQ-CQSZACIVSA-N 0 0 330.432 3.528 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)OC1CCN(CC(F)F)CC1 ZINC000588448356 1022887092 /nfs/dbraw/zinc/88/70/92/1022887092.db2.gz YINFHSGXUYXPIT-BENRWUELSA-N 0 0 327.346 3.502 10 0 EHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)N[C@@H]1COc2ccccc21 ZINC000127995642 1022966834 /nfs/dbraw/zinc/96/68/34/1022966834.db2.gz DNOQJIWLSWESLY-TZMCWYRMSA-N 0 0 328.334 3.540 10 0 EHAERN Cc1cc(C)n(-c2ccc(COC(=O)/C=C\c3ncccc3C)cc2)n1 ZINC000588451578 1023007112 /nfs/dbraw/zinc/00/71/12/1023007112.db2.gz PVXPVIXGPYCDAU-KHPPLWFESA-N 0 0 347.418 3.949 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Oc1cccc(Oc2ncccn2)c1 ZINC000588452577 1023025762 /nfs/dbraw/zinc/02/57/62/1023025762.db2.gz JMWMPHIUDJQJFV-HJWRWDBZSA-N 0 0 333.347 3.591 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1Cl ZINC000190322971 1023191717 /nfs/dbraw/zinc/19/17/17/1023191717.db2.gz IYAQKMKOCWSNQH-IUPBHXKESA-N 0 0 329.227 3.991 10 0 EHAERN O=C(C=Cc1ccc(O)cc1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000588465257 1023317084 /nfs/dbraw/zinc/31/70/84/1023317084.db2.gz WWHANKABOWBZIP-BASWHVEKSA-N 0 0 346.390 3.707 10 0 EHAERN Cc1cc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)ccc1F ZINC000103025326 1024020413 /nfs/dbraw/zinc/02/04/13/1024020413.db2.gz VXIXEIFAKAOYOW-BZNIZROVSA-N 0 0 326.371 3.981 10 0 EHAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCOc3ccccc32)C12CCCC2 ZINC000247459819 1024026047 /nfs/dbraw/zinc/02/60/47/1024026047.db2.gz QJDJUIQPPRUYDE-RYQLBKOJSA-N 0 0 344.455 3.547 10 0 EHAERN C[C@H]1C[C@H](c2noc(C3CCC4(CC3)NC(=O)NC4=O)n2)C[C@@H](C)C1 ZINC000329744689 1024173902 /nfs/dbraw/zinc/17/39/02/1024173902.db2.gz XYADRZOPYBQTSA-CREOJFKHSA-N 0 0 346.431 3.890 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000153648620 1024227688 /nfs/dbraw/zinc/22/76/88/1024227688.db2.gz VUJVGBHHWYUVAZ-CABCVRRESA-N 0 0 347.507 3.847 10 0 EHAERN C[C@H]1C[C@@H](C(=O)Nc2cnn(Cc3ccncc3)c2)CC(C)(C)C1 ZINC000183557129 1024273677 /nfs/dbraw/zinc/27/36/77/1024273677.db2.gz MNLQLDGBOLDCHI-GOEBONIOSA-N 0 0 326.444 3.727 10 0 EHAERN Cc1c(N[C@H]2C[C@@H](C)CC(C)(C)C2)cccc1N1C(=O)CNC1=O ZINC000330026328 1024293743 /nfs/dbraw/zinc/29/37/43/1024293743.db2.gz LJDHRRQEJUJIHU-OCCSQVGLSA-N 0 0 329.444 3.882 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CCO2)o1 ZINC000151668713 1024365485 /nfs/dbraw/zinc/36/54/85/1024365485.db2.gz SPPFKULZINJSKV-GLJUWKHASA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CCO2)o1 ZINC000151696197 1024428703 /nfs/dbraw/zinc/42/87/03/1024428703.db2.gz RRHAJOSFPNPZHS-VKJFTORMSA-N 0 0 345.826 3.945 10 0 EHAERN COc1cccc(C)c1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000194970464 1024472240 /nfs/dbraw/zinc/47/22/40/1024472240.db2.gz IBDCSARJRGOPPT-ZDUSSCGKSA-N 0 0 331.441 3.872 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCC[C@H]3c3ccncc3)c21 ZINC000103317169 1024595098 /nfs/dbraw/zinc/59/50/98/1024595098.db2.gz YHOODTPVNYDBQV-IBGZPJMESA-N 0 0 348.450 3.961 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CC3)CCO2)o1 ZINC000151795263 1024656957 /nfs/dbraw/zinc/65/69/57/1024656957.db2.gz HTTSTKNRQJNJMW-SFHVURJKSA-N 0 0 325.408 3.511 10 0 EHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000119612982 1025051244 /nfs/dbraw/zinc/05/12/44/1025051244.db2.gz HPQQLCSLKAJQAU-HVHJFMEUSA-N 0 0 343.858 3.568 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C=C1CCC(C)(C)CC1 ZINC000121508076 1025473596 /nfs/dbraw/zinc/47/35/96/1025473596.db2.gz JQCIKQKLRJUYKX-HNNXBMFYSA-N 0 0 330.476 3.879 10 0 EHAERN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000102905490 1025541494 /nfs/dbraw/zinc/54/14/94/1025541494.db2.gz PWYXVVUQAWMUEU-RISCZKNCSA-N 0 0 345.270 3.745 10 0 EHAERN O=C(C[C@@H]1C[C@H]1c1ccccc1)N1CCCCC[C@@H]1c1ncon1 ZINC000329113115 1025610431 /nfs/dbraw/zinc/61/04/31/1025610431.db2.gz RSDBURIDSSBODH-YESZJQIVSA-N 0 0 325.412 3.707 10 0 EHAERN Cc1sc2[nH]c(Cc3noc([C@@H]4CCC[C@H]4C)n3)nc(=O)c2c1C ZINC000329571401 1026022273 /nfs/dbraw/zinc/02/22/73/1026022273.db2.gz MQIVTWJHDCXJTC-LDYMZIIASA-N 0 0 344.440 3.891 10 0 EHAERN CN(Cc1csc(Br)c1)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000122139104 1026252181 /nfs/dbraw/zinc/25/21/81/1026252181.db2.gz MDPLKCKFGBVYNT-MNOVXSKESA-N 0 0 340.242 3.866 10 0 EHAERN CCCC(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000104463635 1026257268 /nfs/dbraw/zinc/25/72/68/1026257268.db2.gz XDYYJMFGKFXEPT-SFHVURJKSA-N 0 0 336.863 3.604 10 0 EHAERN Cc1noc(-c2ccnc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)n1 ZINC000301499450 1026829323 /nfs/dbraw/zinc/82/93/23/1026829323.db2.gz CZKWPUUIEQZKFM-NEPJUHHUSA-N 0 0 326.322 3.973 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(Cl)c3F)CCO2)o1 ZINC000153070236 1027002913 /nfs/dbraw/zinc/00/29/13/1027002913.db2.gz MLEBNMVCNLCIGY-CQSZACIVSA-N 0 0 338.766 3.986 10 0 EHAERN CC(=O)N1CC[C@H](Nc2ccnc(Cl)c2)c2ccc(F)cc2C1 ZINC000302204404 1027088835 /nfs/dbraw/zinc/08/88/35/1027088835.db2.gz VESFNWCWLIKKLH-INIZCTEOSA-N 0 0 333.794 3.780 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(F)cn3)C2)cc1 ZINC000123394160 1027202105 /nfs/dbraw/zinc/20/21/05/1027202105.db2.gz YKWAKFNAEGNQGS-GXTWGEPZSA-N 0 0 329.375 3.639 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3nc(Cl)ccc3Cl)CCO2)o1 ZINC000127105496 1027273388 /nfs/dbraw/zinc/27/33/88/1027273388.db2.gz NFKJRTGWYOYJJJ-LBPRGKRZSA-N 0 0 341.194 3.504 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccccc1-n1ccnc1 ZINC000129197614 1027530915 /nfs/dbraw/zinc/53/09/15/1027530915.db2.gz XBSZFZMHFFATMX-RTBURBONSA-N 0 0 331.419 3.601 10 0 EHAERN C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)[C@@H]1COc2ccccc21 ZINC000129324135 1027545429 /nfs/dbraw/zinc/54/54/29/1027545429.db2.gz GEMBAFLNLMZNNC-SCZZXKLOSA-N 0 0 325.195 3.616 10 0 EHAERN COC(=O)c1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000102136794 1027663490 /nfs/dbraw/zinc/66/34/90/1027663490.db2.gz KNYCJVZHMJXPFE-KBPBESRZSA-N 0 0 328.364 3.545 10 0 EHAERN CO[C@@H]1CN(C(=O)/C=C\c2ccc3ccc(Cl)cc3n2)CC[C@H]1C ZINC000588552286 1027885869 /nfs/dbraw/zinc/88/58/69/1027885869.db2.gz ZFWZLBFKCNAYDJ-UDORQPHGSA-N 0 0 344.842 3.785 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCc3ccc(Cl)s3)CCO2)o1 ZINC000133407610 1028030114 /nfs/dbraw/zinc/03/01/14/1028030114.db2.gz USSIUWIMYYXXDQ-CQSZACIVSA-N 0 0 339.844 3.836 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1csc(-c2ccsc2)n1 ZINC000246232312 1028040688 /nfs/dbraw/zinc/04/06/88/1028040688.db2.gz WSCJBEBIXAHINR-MRVWCRGKSA-N 0 0 346.477 3.559 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCc1ccccc1Cl ZINC000105200361 1028068698 /nfs/dbraw/zinc/06/86/98/1028068698.db2.gz XJJHNIIGJNVXSY-UHFFFAOYSA-N 0 0 345.874 3.942 10 0 EHAERN Cc1ccnc(-n2nccc2NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000249029085 1028092155 /nfs/dbraw/zinc/09/21/55/1028092155.db2.gz LKKWXRSKAXVTHA-ARFHVFGLSA-N 0 0 339.443 3.618 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(F)c(Cl)cc1F ZINC000134569978 1028131669 /nfs/dbraw/zinc/13/16/69/1028131669.db2.gz XIVUUGXJQMBWSU-UHFFFAOYSA-N 0 0 335.697 3.921 10 0 EHAERN Cc1cc([C@@H](C)NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)s1 ZINC000134633427 1028134779 /nfs/dbraw/zinc/13/47/79/1028134779.db2.gz MHRIXASTMBILIL-CJNGLKHVSA-N 0 0 345.468 3.684 10 0 EHAERN O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@H]1C[C@]12CCc1ccccc12 ZINC000246343783 1028261961 /nfs/dbraw/zinc/26/19/61/1028261961.db2.gz NHTQKFACBFDOEB-VIZSFHNOSA-N 0 0 347.458 3.521 10 0 EHAERN O=C(CSc1ccc(O)cc1)N1CC=C(c2ccccc2F)CC1 ZINC000137343937 1028310164 /nfs/dbraw/zinc/31/01/64/1028310164.db2.gz WQKXMDFMKKFQAN-UHFFFAOYSA-N 0 0 343.423 3.939 10 0 EHAERN CC(C)(C(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1F ZINC000067046837 1028352407 /nfs/dbraw/zinc/35/24/07/1028352407.db2.gz URRWQTTZNUBBKC-CYBMUJFWSA-N 0 0 332.444 3.966 10 0 EHAERN O=C(c1coc(Br)c1)N1CCC[C@H](c2nccs2)C1 ZINC000067047537 1028353065 /nfs/dbraw/zinc/35/30/65/1028353065.db2.gz CFUPGPPVYOWOCE-VIFPVBQESA-N 0 0 341.230 3.518 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000068291386 1028391750 /nfs/dbraw/zinc/39/17/50/1028391750.db2.gz LATNRMIBDLPEKB-LIRRHRJNSA-N 0 0 341.382 3.769 10 0 EHAERN CN1c2ccc(NCc3cccc(-c4ccccn4)c3)cc2CC1=O ZINC000193673043 1028455447 /nfs/dbraw/zinc/45/54/47/1028455447.db2.gz FOHGBCHGCCHPBB-UHFFFAOYSA-N 0 0 329.403 3.880 10 0 EHAERN O=C(Nc1cccc(Oc2cccnn2)c1)[C@H]1CCCc2cccnc21 ZINC000194483007 1028518104 /nfs/dbraw/zinc/51/81/04/1028518104.db2.gz CJJMDXFSZBKRNI-KRWDZBQOSA-N 0 0 346.390 3.723 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000246448529 1028529324 /nfs/dbraw/zinc/52/93/24/1028529324.db2.gz OAPIHVBHBPSWAG-IAOVAPTHSA-N 0 0 336.451 3.858 10 0 EHAERN Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H](C)c2ccncc2)[C@@H](C)CO1 ZINC000073487563 1028559900 /nfs/dbraw/zinc/55/99/00/1028559900.db2.gz CRIZSQSYUNNAAF-BXWFABGCSA-N 0 0 339.439 3.623 10 0 EHAERN c1csc([C@H]2CCCN(Cc3noc(-c4ccccc4)n3)C2)n1 ZINC000195441652 1028609124 /nfs/dbraw/zinc/60/91/24/1028609124.db2.gz OQYHLCHXBYMEEY-AWEZNQCLSA-N 0 0 326.425 3.573 10 0 EHAERN COc1ccc2sc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c(C)c2c1 ZINC000246582341 1028663197 /nfs/dbraw/zinc/66/31/97/1028663197.db2.gz AUUSIXXWHFNDDD-IMJJTQAJSA-N 0 0 345.464 3.906 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)n2)cn1 ZINC000153728366 1028668309 /nfs/dbraw/zinc/66/83/09/1028668309.db2.gz KLQLWKRJQGKYHE-MRXNPFEDSA-N 0 0 326.400 3.553 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(Oc2ccncc2)c1 ZINC000246635878 1028669523 /nfs/dbraw/zinc/66/95/23/1028669523.db2.gz CFPWGLACOXQZKF-IPMKNSEASA-N 0 0 338.407 3.561 10 0 EHAERN CC(C)(C)Sc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccn1 ZINC000245516352 1028761612 /nfs/dbraw/zinc/76/16/12/1028761612.db2.gz FWMOWXGVMOFKHQ-NWANDNLSSA-N 0 0 334.485 3.516 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)cc2cccnc21 ZINC000247338179 1028780267 /nfs/dbraw/zinc/78/02/67/1028780267.db2.gz JJGZHWRNGITGIL-IMJJTQAJSA-N 0 0 330.815 3.576 10 0 EHAERN O=C(OC[C@H]1CC=CCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000247435448 1028787436 /nfs/dbraw/zinc/78/74/36/1028787436.db2.gz VQPLQWMZPIOEGH-HNNXBMFYSA-N 0 0 345.414 3.577 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000247487923 1028793943 /nfs/dbraw/zinc/79/39/43/1028793943.db2.gz GMBAVOAUGSEVOB-RRFJBIMHSA-N 0 0 348.855 3.500 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3ccsc3)CC2)CC1 ZINC000249081827 1028985591 /nfs/dbraw/zinc/98/55/91/1028985591.db2.gz ALSQIWNLXDBKGZ-SHTZXODSSA-N 0 0 348.512 3.685 10 0 EHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCCC1 ZINC000076506454 1029006743 /nfs/dbraw/zinc/00/67/43/1029006743.db2.gz XOIFRNGKWVFCRX-CQSZACIVSA-N 0 0 348.512 3.685 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)[C@H]2CCCC[C@@H]12 ZINC000248445245 1029097194 /nfs/dbraw/zinc/09/71/94/1029097194.db2.gz WJIGDZKHLBXSTR-CBZIJGRNSA-N 0 0 344.455 3.897 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C1(Cc2ccccc2Cl)CC1 ZINC000251646049 1029142098 /nfs/dbraw/zinc/14/20/98/1029142098.db2.gz HIZLWLHIZDXSBW-USXIJHARSA-N 0 0 333.859 3.737 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cnc(Cl)c(C)c3)CCO2)o1 ZINC000154483156 1029199228 /nfs/dbraw/zinc/19/92/28/1029199228.db2.gz LXMMMXMCHIKSLZ-CQSZACIVSA-N 0 0 335.791 3.550 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@]3(C)CC3(Cl)Cl)C2)cc1 ZINC000078188352 1029238844 /nfs/dbraw/zinc/23/88/44/1029238844.db2.gz VTTVASJHAVPGHQ-KFNAQCHYSA-N 0 0 342.266 3.984 10 0 EHAERN COCc1cccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000078186159 1029239774 /nfs/dbraw/zinc/23/97/74/1029239774.db2.gz PKVAWOWKZOSHPJ-HNAYVOBHSA-N 0 0 339.435 3.860 10 0 EHAERN O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)C1CCCC1 ZINC000078791607 1029467914 /nfs/dbraw/zinc/46/79/14/1029467914.db2.gz KKBNMOCOFPBWOC-UHFFFAOYSA-N 0 0 325.817 3.852 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000155649093 1029610782 /nfs/dbraw/zinc/61/07/82/1029610782.db2.gz WPBQKOZZSPDUMT-GASCZTMLSA-N 0 0 333.501 3.549 10 0 EHAERN O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246076091 1029630637 /nfs/dbraw/zinc/63/06/37/1029630637.db2.gz BVNKLTCLALUYFA-USXIJHARSA-N 0 0 325.412 3.637 10 0 EHAERN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000156033630 1029727616 /nfs/dbraw/zinc/72/76/16/1029727616.db2.gz PXKPSNNINYPDNY-WMLDXEAASA-N 0 0 343.471 3.565 10 0 EHAERN Cc1cccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c1C ZINC000156376422 1029817798 /nfs/dbraw/zinc/81/77/98/1029817798.db2.gz TXRLNWPHPIRQLH-UHFFFAOYSA-N 0 0 326.444 3.524 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3ccc(C)c(O)c3)C2)cc1 ZINC000089452907 1029914296 /nfs/dbraw/zinc/91/42/96/1029914296.db2.gz KRBCXOVANJPTHM-YJBOKZPZSA-N 0 0 339.435 3.656 10 0 EHAERN Cc1cccc(N2C(=O)c3ccccc3/C(=C/c3cocn3)C2=O)c1 ZINC000588579243 1030156935 /nfs/dbraw/zinc/15/69/35/1030156935.db2.gz KQBMHYYARKYIJP-ZDLGFXPLSA-N 0 0 330.343 3.711 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000091171888 1030234770 /nfs/dbraw/zinc/23/47/70/1030234770.db2.gz HYOVCHJRCUVXDI-IRLDBZIGSA-N 0 0 346.430 3.543 10 0 EHAERN CC(C)(C)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000157286500 1030427025 /nfs/dbraw/zinc/42/70/25/1030427025.db2.gz QRBSSKVWTCBOKS-OAHLLOKOSA-N 0 0 326.444 3.764 10 0 EHAERN O=C(Cc1cccs1)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000169944054 1030681620 /nfs/dbraw/zinc/68/16/20/1030681620.db2.gz WNQYMSITBWIHOT-GOSISDBHSA-N 0 0 326.396 3.731 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170672894 1030695310 /nfs/dbraw/zinc/69/53/10/1030695310.db2.gz AOUXHBDMAHHAJT-LLVKDONJSA-N 0 0 344.465 3.615 10 0 EHAERN O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000170993186 1030741891 /nfs/dbraw/zinc/74/18/91/1030741891.db2.gz ZYHLAIQWSDTFEZ-CABCVRRESA-N 0 0 337.206 3.773 10 0 EHAERN Cc1ccc(C)c(OCC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000171643973 1030769990 /nfs/dbraw/zinc/76/99/90/1030769990.db2.gz RFEOHKQCRXZCME-HNNXBMFYSA-N 0 0 330.453 3.545 10 0 EHAERN Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171644753 1030771322 /nfs/dbraw/zinc/77/13/22/1030771322.db2.gz RIYTXRKCVAEYPX-INIZCTEOSA-N 0 0 339.464 3.812 10 0 EHAERN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](c2nccs2)C1 ZINC000171646257 1030771573 /nfs/dbraw/zinc/77/15/73/1030771573.db2.gz NEYKFPPVRPAYQH-HNNXBMFYSA-N 0 0 339.464 3.963 10 0 EHAERN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171646239 1030771812 /nfs/dbraw/zinc/77/18/12/1030771812.db2.gz ROAXOLMUTQKVMO-GFCCVEGCSA-N 0 0 336.844 3.582 10 0 EHAERN O=C(CCCOc1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171645894 1030771856 /nfs/dbraw/zinc/77/18/56/1030771856.db2.gz JVWLUTNHXHCIAA-OAHLLOKOSA-N 0 0 330.453 3.708 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2csc3ccccc23)c2ccccc2)[nH]1 ZINC000171571845 1030798054 /nfs/dbraw/zinc/79/80/54/1030798054.db2.gz BSQIYPMGWSRTTG-QGZVFWFLSA-N 0 0 348.431 3.847 10 0 EHAERN CCOc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)ccc1C ZINC000172020869 1030866060 /nfs/dbraw/zinc/86/60/60/1030866060.db2.gz ZAFLYYPCZOICAA-UHFFFAOYSA-N 0 0 338.451 3.884 10 0 EHAERN O=C(NCCCOc1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000172222509 1030874181 /nfs/dbraw/zinc/87/41/81/1030874181.db2.gz GLWDFIMXDGKPJG-HNNXBMFYSA-N 0 0 345.468 3.501 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329487644 1030920458 /nfs/dbraw/zinc/92/04/58/1030920458.db2.gz GRURWSQDTBUSKH-NXWXRZEISA-N 0 0 347.503 3.941 10 0 EHAERN CCCCCC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000173003332 1031043164 /nfs/dbraw/zinc/04/31/64/1031043164.db2.gz WRTFMQXTTDEVQW-CQSZACIVSA-N 0 0 349.475 3.767 10 0 EHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@]3(C)CC3(Cl)Cl)C2)n1 ZINC000173423780 1031089002 /nfs/dbraw/zinc/08/90/02/1031089002.db2.gz UTDWWYWPHXLJFI-MFKMUULPSA-N 0 0 333.284 3.741 10 0 EHAERN COc1cccc(CCCNC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116428393 1031160762 /nfs/dbraw/zinc/16/07/62/1031160762.db2.gz XKCCMWIFUDTTAL-QGZVFWFLSA-N 0 0 328.412 3.768 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C[C@@H](C)c3ccccc3)CC2)n1 ZINC000116671332 1031266576 /nfs/dbraw/zinc/26/65/76/1031266576.db2.gz VDXUNRPHPJFVPW-MRXNPFEDSA-N 0 0 337.467 3.669 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccc(F)c3F)C2)c1 ZINC000175413074 1031305982 /nfs/dbraw/zinc/30/59/82/1031305982.db2.gz PRGKTCMMPAMZCS-LBPRGKRZSA-N 0 0 347.361 3.612 10 0 EHAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000175702318 1031329756 /nfs/dbraw/zinc/32/97/56/1031329756.db2.gz MDQBWPQJZRJYTH-RTBURBONSA-N 0 0 348.406 3.728 10 0 EHAERN C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1nccs1 ZINC000158506695 1031404881 /nfs/dbraw/zinc/40/48/81/1031404881.db2.gz JTGYKUNQUCKZES-ZDUSSCGKSA-N 0 0 338.436 3.766 10 0 EHAERN CC[C@]1(CO)CCCN(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000252001297 1031429709 /nfs/dbraw/zinc/42/97/09/1031429709.db2.gz WNMDTYVSZXNTKO-ZTNFWEORSA-N 0 0 330.472 3.819 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cc(=O)oc4cc(C)ccc34)CCO2)o1 ZINC000158622383 1031487131 /nfs/dbraw/zinc/48/71/31/1031487131.db2.gz KWWQJEBDRGNQRI-LJQANCHMSA-N 0 0 339.391 3.576 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)o1 ZINC000158660147 1031529633 /nfs/dbraw/zinc/52/96/33/1031529633.db2.gz PWDCHYOJYDZNFJ-INIZCTEOSA-N 0 0 330.409 3.878 10 0 EHAERN Cc1coc(-c2ccc(C)c(NC(=O)c3ncncc3Cl)c2)n1 ZINC000177992936 1031601945 /nfs/dbraw/zinc/60/19/45/1031601945.db2.gz OLUMGVOCZDCCFQ-UHFFFAOYSA-N 0 0 328.759 3.654 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cnc(-c4ccco4)s3)CCO2)o1 ZINC000178896080 1031737838 /nfs/dbraw/zinc/73/78/38/1031737838.db2.gz VHVNOYIITIGVNR-AWEZNQCLSA-N 0 0 344.392 3.518 10 0 EHAERN CC1(C)CCC[C@@H](C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000179215647 1031759915 /nfs/dbraw/zinc/75/99/15/1031759915.db2.gz MVEUWAZQALRFLZ-GOSISDBHSA-N 0 0 348.531 3.844 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(C)nc4ccccc43)CCO2)o1 ZINC000179346063 1031767190 /nfs/dbraw/zinc/76/71/90/1031767190.db2.gz RZYBPEKUQYDITG-LJQANCHMSA-N 0 0 336.391 3.658 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000117603066 1031779038 /nfs/dbraw/zinc/77/90/38/1031779038.db2.gz SJJFVORIMUNRNL-ORAYPTAESA-N 0 0 347.374 3.772 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179509343 1031782723 /nfs/dbraw/zinc/78/27/23/1031782723.db2.gz FPGCNBWVQZDPOA-UHFFFAOYSA-N 0 0 341.802 3.789 10 0 EHAERN O=C1CCCc2cc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)ccc2N1 ZINC000179810663 1031813839 /nfs/dbraw/zinc/81/38/39/1031813839.db2.gz UIEWQJYEHBRAKZ-LZQZEXGQSA-N 0 0 326.440 3.721 10 0 EHAERN O=C(c1cccc(-n2cccn2)c1)N1CC=C(c2cccs2)CC1 ZINC000117721765 1031839833 /nfs/dbraw/zinc/83/98/33/1031839833.db2.gz VSMYBZBPLWCDGD-UHFFFAOYSA-N 0 0 335.432 3.863 10 0 EHAERN COC(=O)Nc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117722137 1031843082 /nfs/dbraw/zinc/84/30/82/1031843082.db2.gz FYSVGMSKXJJCFA-UHFFFAOYSA-N 0 0 342.420 3.856 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3cc(F)cc4cccnc43)CCO2)o1 ZINC000159166470 1031903445 /nfs/dbraw/zinc/90/34/45/1031903445.db2.gz XBIODLRCUQTQIA-SFHVURJKSA-N 0 0 326.371 3.849 10 0 EHAERN CSc1ccsc1C(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000180853569 1031915851 /nfs/dbraw/zinc/91/58/51/1031915851.db2.gz OBTQHPLHELFSKG-UHFFFAOYSA-N 0 0 348.493 3.857 10 0 EHAERN Cc1cc(CCCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C)s1 ZINC000181183687 1031991852 /nfs/dbraw/zinc/99/18/52/1031991852.db2.gz GLZHFQQSUZSSOW-OAHLLOKOSA-N 0 0 332.473 3.560 10 0 EHAERN COCc1ccsc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000182063079 1032057060 /nfs/dbraw/zinc/05/70/60/1032057060.db2.gz CIVVMPDQLFFZSF-CZUORRHYSA-N 0 0 345.464 3.921 10 0 EHAERN CCO[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2csc(C)n2)C12CCC2 ZINC000251699984 1033601148 /nfs/dbraw/zinc/60/11/48/1033601148.db2.gz JBSDTRIQPFDWGE-ARFHVFGLSA-N 0 0 349.500 3.646 10 0 EHAERN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525587 1033742047 /nfs/dbraw/zinc/74/20/47/1033742047.db2.gz PESLJHBKHFWYAD-UHFFFAOYSA-N 0 0 341.342 3.672 10 0 EHAERN CC(=O)Nc1cccc(CSCC(=O)Nc2cccc(C)c2)c1 ZINC000101586302 1033835153 /nfs/dbraw/zinc/83/51/53/1033835153.db2.gz TUGVPZWKSYWXMJ-UHFFFAOYSA-N 0 0 328.437 3.825 10 0 EHAERN CSc1cccc(N(C)C(=O)C[C@H](NC(C)=O)c2ccccc2)c1 ZINC000101837092 1034268794 /nfs/dbraw/zinc/26/87/94/1034268794.db2.gz QYINOMMBIJKACH-SFHVURJKSA-N 0 0 342.464 3.639 10 0 EHAERN CNc1snc(C)c1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000121223531 1034568191 /nfs/dbraw/zinc/56/81/91/1034568191.db2.gz TUSQHGNEDXKFIY-BXUZGUMPSA-N 0 0 345.468 3.520 10 0 EHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000246990089 1034637438 /nfs/dbraw/zinc/63/74/38/1034637438.db2.gz KCGLAJGKWZKATG-HYVNUMGLSA-N 0 0 332.492 3.580 10 0 EHAERN c1nn(-c2ccccc2)cc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185869419 1035551626 /nfs/dbraw/zinc/55/16/26/1035551626.db2.gz GVZLFGAOZJKARR-UHFFFAOYSA-N 0 0 341.418 3.619 10 0 EHAERN O=C(c1ncncc1Cl)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185885675 1035555586 /nfs/dbraw/zinc/55/55/86/1035555586.db2.gz UYQZVTJSHUQXKY-UHFFFAOYSA-N 0 0 336.222 3.803 10 0 EHAERN Cc1oc2ccccc2c1C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000185877282 1035555721 /nfs/dbraw/zinc/55/57/21/1035555721.db2.gz FHQRZTRBWZXUKF-HNNXBMFYSA-N 0 0 337.423 3.570 10 0 EHAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2 ZINC000186049951 1035572461 /nfs/dbraw/zinc/57/24/61/1035572461.db2.gz KKTUKSWHERLASE-AWEZNQCLSA-N 0 0 333.391 3.723 10 0 EHAERN COc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c(F)c1 ZINC000186529574 1035654946 /nfs/dbraw/zinc/65/49/46/1035654946.db2.gz RKUILTWDCKRKBM-LLVKDONJSA-N 0 0 329.375 3.985 10 0 EHAERN CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186582379 1035663110 /nfs/dbraw/zinc/66/31/10/1035663110.db2.gz VVQYWOZWNZAAOB-AWEZNQCLSA-N 0 0 344.459 3.954 10 0 EHAERN CC(C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186619802 1035673584 /nfs/dbraw/zinc/67/35/84/1035673584.db2.gz GLSZHJCPWWOQFF-ZDUSSCGKSA-N 0 0 330.432 3.564 10 0 EHAERN C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186667004 1035681872 /nfs/dbraw/zinc/68/18/72/1035681872.db2.gz ROZBJZMRDFMLRM-QWHCGFSZSA-N 0 0 330.432 3.612 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000186803180 1035708998 /nfs/dbraw/zinc/70/89/98/1035708998.db2.gz CNYXSIJGOXFKLC-ZDUSSCGKSA-N 0 0 345.424 3.607 10 0 EHAERN O=C(Nc1nc(C2CC2)cs1)N1CCC(Nc2nccs2)CC1 ZINC000186955544 1035750889 /nfs/dbraw/zinc/75/08/89/1035750889.db2.gz OJNMEJHPELCNQI-UHFFFAOYSA-N 0 0 349.485 3.585 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000188195338 1035903026 /nfs/dbraw/zinc/90/30/26/1035903026.db2.gz FRKGJEGUYLGUDZ-RBSFLKMASA-N 0 0 333.480 3.504 10 0 EHAERN CCOc1cccc(NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000188865852 1035993176 /nfs/dbraw/zinc/99/31/76/1035993176.db2.gz WULKSUVKNIWIJQ-UHFFFAOYSA-N 0 0 340.383 3.707 10 0 EHAERN O=C(/C=C/c1cncc(F)c1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189643720 1036106330 /nfs/dbraw/zinc/10/63/30/1036106330.db2.gz JDUJPJSCALUXEJ-BOTMBNHJSA-N 0 0 346.352 3.918 10 0 EHAERN COc1cc(F)c(NC(=O)N[C@H]2CCOc3c(C)cccc32)cc1F ZINC000189748982 1036137772 /nfs/dbraw/zinc/13/77/72/1036137772.db2.gz YCZBHYQYGFEBJP-AWEZNQCLSA-N 0 0 348.349 3.927 10 0 EHAERN O=C(c1ccc([O-])c(Cl)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189805534 1036147934 /nfs/dbraw/zinc/14/79/34/1036147934.db2.gz SEMDHIJFBAETQM-UHFFFAOYSA-N 0 0 343.810 3.754 10 0 EHAERN O=C(CCc1ccsc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189845073 1036156420 /nfs/dbraw/zinc/15/64/20/1036156420.db2.gz LEIGNAFSJIXMAY-UHFFFAOYSA-N 0 0 327.449 3.776 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cn(C)nc1-c1ccccc1 ZINC000189942320 1036164926 /nfs/dbraw/zinc/16/49/26/1036164926.db2.gz MWAFWFZOJZFELA-SFHVURJKSA-N 0 0 347.418 3.649 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000189950036 1036168311 /nfs/dbraw/zinc/16/83/11/1036168311.db2.gz AJPXLDYFWGFULO-ZDUSSCGKSA-N 0 0 347.846 3.759 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSCC[C@H]2CCCO2)cc1 ZINC000190140815 1036196876 /nfs/dbraw/zinc/19/68/76/1036196876.db2.gz LVRKFSSLRNLVDQ-QZTJIDSGSA-N 0 0 349.496 3.661 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1CCCc2c(O)cccc21 ZINC000190257517 1036214280 /nfs/dbraw/zinc/21/42/80/1036214280.db2.gz GGKFMXCRPJQETF-MRXNPFEDSA-N 0 0 335.363 3.501 10 0 EHAERN COc1ccc(CCC(=O)N[C@H]2CCOc3c(C)cccc32)cc1 ZINC000190653930 1036270350 /nfs/dbraw/zinc/27/03/50/1036270350.db2.gz IVNQTCJVCNHORX-SFHVURJKSA-N 0 0 325.408 3.576 10 0 EHAERN CC[C@@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1nccs1 ZINC000190803210 1036300715 /nfs/dbraw/zinc/30/07/15/1036300715.db2.gz KNGDNYCLCUKAFU-KGLIPLIRSA-N 0 0 331.441 3.726 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3ccc(Br)o3)CCO2)o1 ZINC000191088864 1036336632 /nfs/dbraw/zinc/33/66/32/1036336632.db2.gz VVCLCFQOULZNHL-ZDUSSCGKSA-N 0 0 326.190 3.517 10 0 EHAERN O=C(Cc1cccc(O)c1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191534799 1036408206 /nfs/dbraw/zinc/40/82/06/1036408206.db2.gz FTBIXHZBWWDKPL-AWEZNQCLSA-N 0 0 331.362 3.619 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCC(=O)OC(C)(C)C)C2)cc1 ZINC000192316229 1036495926 /nfs/dbraw/zinc/49/59/26/1036495926.db2.gz HRFROKKJZFJFKX-HOCLYGCPSA-N 0 0 347.455 3.522 10 0 EHAERN O=C(Nc1c(F)cccc1N1CCCC1)[C@H]1CCCc2cccnc21 ZINC000192500736 1036512388 /nfs/dbraw/zinc/51/23/88/1036512388.db2.gz HRVLLYZHAXKQDA-HNNXBMFYSA-N 0 0 339.414 3.880 10 0 EHAERN C[C@H]1OCC[C@@H]1NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000091033118 1036739164 /nfs/dbraw/zinc/73/91/64/1036739164.db2.gz SWFIAWLAUXIXPY-ACJLOTCBSA-N 0 0 338.407 3.587 10 0 EHAERN Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)s1 ZINC000102735746 1036757770 /nfs/dbraw/zinc/75/77/70/1036757770.db2.gz UBPORNLMLSNFNW-SJCJKPOMSA-N 0 0 342.464 3.923 10 0 EHAERN CCN(C)C(=O)c1cccc(C(=O)Nc2nc(C(C)C)cs2)c1 ZINC000103739607 1036937790 /nfs/dbraw/zinc/93/77/90/1036937790.db2.gz HHLVFMMSOMIOOB-UHFFFAOYSA-N 0 0 331.441 3.611 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)c2ccc(-n3cccc3)c(F)c2)n1 ZINC000104403445 1037035882 /nfs/dbraw/zinc/03/58/82/1037035882.db2.gz FAINBZUBZCTWBN-GFCCVEGCSA-N 0 0 329.400 3.872 10 0 EHAERN Clc1cc(NCc2nc(-c3ccoc3)no2)ccc1-n1cccn1 ZINC000105607230 1037200424 /nfs/dbraw/zinc/20/04/24/1037200424.db2.gz RAFXMPHBLFLNJM-UHFFFAOYSA-N 0 0 341.758 3.781 10 0 EHAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1c(Cl)cccc1Cl ZINC000105669555 1037235746 /nfs/dbraw/zinc/23/57/46/1037235746.db2.gz WWXWEDCFKFEEPN-FQEVSTJZSA-N 0 0 336.284 3.547 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC000104460521 1037297555 /nfs/dbraw/zinc/29/75/55/1037297555.db2.gz YCZPOMQFXWPJNW-UHFFFAOYSA-N 0 0 332.469 3.764 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2nccs2)cc1 ZINC000106278793 1037320878 /nfs/dbraw/zinc/32/08/78/1037320878.db2.gz OPSXMFWVBMOICL-IUODEOHRSA-N 0 0 331.441 3.759 10 0 EHAERN Cc1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000114824466 1037811662 /nfs/dbraw/zinc/81/16/62/1037811662.db2.gz VAAZQFMRDIFPAW-INIZCTEOSA-N 0 0 329.469 3.849 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccncc1 ZINC000115648862 1037830379 /nfs/dbraw/zinc/83/03/79/1037830379.db2.gz MULHDZKBWSBNBZ-CQSZACIVSA-N 0 0 343.402 3.535 10 0 EHAERN Cc1nnc([C@H]2Cc3ccccc3CN2c2cc(C)nc(C3CC3)n2)o1 ZINC000116260188 1037837000 /nfs/dbraw/zinc/83/70/00/1037837000.db2.gz YCNTXKKBUPNPCB-QGZVFWFLSA-N 0 0 347.422 3.658 10 0 EHAERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332757412 1037953221 /nfs/dbraw/zinc/95/32/21/1037953221.db2.gz UNECZRLPPAGEMK-DIOULYMOSA-N 0 0 345.468 3.566 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC(OC2CCCC2)CC1 ZINC000195263038 1038842067 /nfs/dbraw/zinc/84/20/67/1038842067.db2.gz HFMSZGGJGLCPHE-SFHVURJKSA-N 0 0 344.455 3.643 10 0 EHAERN C[C@H]1CC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)c2ccccc21 ZINC000124871359 1039069833 /nfs/dbraw/zinc/06/98/33/1039069833.db2.gz CSTFKLHZEZZASA-ORAYPTAESA-N 0 0 336.435 3.622 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000245899787 1039294550 /nfs/dbraw/zinc/29/45/50/1039294550.db2.gz RVTBSIZYGAEYAE-PBFPGSCMSA-N 0 0 347.434 3.712 10 0 EHAERN CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000408089932 1040026995 /nfs/dbraw/zinc/02/69/95/1040026995.db2.gz KVBGXOGHZNKTHK-NXHRZFHOSA-N 0 0 334.435 3.706 10 0 EHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000332790669 1040113377 /nfs/dbraw/zinc/11/33/77/1040113377.db2.gz WQHOGWGAIPWQQC-VQISRLSMSA-N 0 0 342.361 3.633 10 0 EHAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000245718778 1040431125 /nfs/dbraw/zinc/43/11/25/1040431125.db2.gz AGKLZQFKABXUAF-HFTRVMKXSA-N 0 0 341.451 3.945 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCSc3ccccc32)cn1 ZINC000171462201 1040488462 /nfs/dbraw/zinc/48/84/62/1040488462.db2.gz MKEMJLDCQPYMTP-CVEARBPZSA-N 0 0 342.468 3.504 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000171465670 1040504854 /nfs/dbraw/zinc/50/48/54/1040504854.db2.gz RDNLVBROSOJLRS-SJORKVTESA-N 0 0 344.846 3.608 10 0 EHAERN O=C(NCc1ccc(C2CC2)cc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332970995 1040578958 /nfs/dbraw/zinc/57/89/58/1040578958.db2.gz DFGRZKSHZUJTRI-PXNSSMCTSA-N 0 0 346.446 3.540 10 0 EHAERN Cc1ccc([C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C2CC2)cc1 ZINC000332973234 1040600659 /nfs/dbraw/zinc/60/06/59/1040600659.db2.gz GMHZNXNZTFDVCU-ZJOUEHCJSA-N 0 0 342.483 3.783 10 0 EHAERN CC(C)[C@@H](NC(=O)N1CCCCC(C)(C)C1)c1nnc2ccccn21 ZINC000408442488 1040763495 /nfs/dbraw/zinc/76/34/95/1040763495.db2.gz KQPAMQFPNJKLAM-MRXNPFEDSA-N 0 0 343.475 3.648 10 0 EHAERN CC(C)[C@H](NC(=O)N1CCCCC(C)(C)C1)c1nc(C2CC2)no1 ZINC000408444312 1040811875 /nfs/dbraw/zinc/81/18/75/1040811875.db2.gz UPJZKRPCSZBXLL-AWEZNQCLSA-N 0 0 334.464 3.866 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)C1CCOCC1 ZINC000333010646 1040918173 /nfs/dbraw/zinc/91/81/73/1040918173.db2.gz VNQNPYXZQCJPCM-ZBFHGGJFSA-N 0 0 337.489 3.503 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000106524563 1041720260 /nfs/dbraw/zinc/72/02/60/1041720260.db2.gz ZRZVCSYDRUDHLI-XQQFMLRXSA-N 0 0 344.381 3.767 10 0 EHAERN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H]2CCC[C@@H]21 ZINC000330321835 1042898757 /nfs/dbraw/zinc/89/87/57/1042898757.db2.gz SGCSEKDNKKVVKX-DOMZBBRYSA-N 0 0 345.830 3.724 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)cnc1N1CCCC[C@H]1C ZINC000408333970 1043272634 /nfs/dbraw/zinc/27/26/34/1043272634.db2.gz KDCPWYCIIHJZQV-HLLBOEOZSA-N 0 0 331.460 3.522 10 0 EHAERN CC(C)(C)c1cnc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000408349267 1043538324 /nfs/dbraw/zinc/53/83/24/1043538324.db2.gz OCIASBFYKDGMEG-SJKOYZFVSA-N 0 0 337.489 3.600 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCSCC[C@@H]2C)c(Cl)c1 ZINC000408351233 1043604355 /nfs/dbraw/zinc/60/43/55/1043604355.db2.gz ZCXXSCPWYCHVCG-JTQLQIEISA-N 0 0 341.864 3.658 10 0 EHAERN Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1C(=O)N(C)C(C)C ZINC000408358953 1043691552 /nfs/dbraw/zinc/69/15/52/1043691552.db2.gz RIWYIVCJCQRGDS-QAPCUYQASA-N 0 0 343.471 3.882 10 0 EHAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@H]1CCCc2ccccc21 ZINC000332932952 1044468445 /nfs/dbraw/zinc/46/84/45/1044468445.db2.gz UDOYAYOJVQXRJL-IXDOHACOSA-N 0 0 329.444 3.847 10 0 EHAERN CC(C)c1nnc([C@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)CCO2)o1 ZINC000408385348 1044490211 /nfs/dbraw/zinc/49/02/11/1044490211.db2.gz JZIYDQNPDKTWGH-LSDHHAIUSA-N 0 0 349.475 3.699 10 0 EHAERN COc1ccccc1CCN(C)CC(=O)Nc1ccc(C)cc1Cl ZINC000104710680 1127894089 /nfs/dbraw/zinc/89/40/89/1127894089.db2.gz YUYKCVXWBDRBJY-UHFFFAOYSA-N 0 0 346.858 3.770 10 0 EHAERN CCOCCOC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000103330992 1132825271 /nfs/dbraw/zinc/82/52/71/1132825271.db2.gz CVJBATVEFNYCCP-KBPBESRZSA-N 0 0 331.437 3.926 10 0 EHAERN Cc1ccc(NC(=O)NCCCNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000103565059 1134767766 /nfs/dbraw/zinc/76/77/66/1134767766.db2.gz VWPVWAKXZJSZDM-UHFFFAOYSA-N 0 0 341.839 3.685 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)NCCCNC(=O)OC(C)(C)C ZINC000103564873 1134767963 /nfs/dbraw/zinc/76/79/63/1134767963.db2.gz ITOPVYDTCQJEJI-UHFFFAOYSA-N 0 0 341.839 3.685 10 0 EHAERN O=C(COC1CCCCC1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101842979 1135408659 /nfs/dbraw/zinc/40/86/59/1135408659.db2.gz XJUIJYLRYPQTKW-UHFFFAOYSA-N 0 0 340.427 3.637 10 0 EHAERN COc1c(C)cc(CN(C)Cn2nc(C(C)C)n(C)c2=S)cc1C ZINC000101903796 1135418259 /nfs/dbraw/zinc/41/82/59/1135418259.db2.gz XDPCAKOEXGBJAS-UHFFFAOYSA-N 0 0 348.516 3.789 10 0 EHAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(Cl)c2)c1 ZINC000101964478 1135434805 /nfs/dbraw/zinc/43/48/05/1135434805.db2.gz ZONDSWQFNXHHTD-NHYWBVRUSA-N 0 0 344.798 3.687 10 0 EHAERN Cc1cccc(CCCOC(=O)c2sccc2OC(F)F)n1 ZINC000105363158 1135944395 /nfs/dbraw/zinc/94/43/95/1135944395.db2.gz DVYYYPZQZQABMP-UHFFFAOYSA-N 0 0 327.352 3.843 10 0 EHAERN FC(F)(F)Oc1ccc(NCc2nc(-c3ccoc3)no2)cc1 ZINC000105606487 1135957442 /nfs/dbraw/zinc/95/74/42/1135957442.db2.gz HTBDYORBMVKCJG-UHFFFAOYSA-N 0 0 325.246 3.840 10 0 EHAERN O=C(CCC(=O)c1cccs1)Oc1ccccc1OC(F)F ZINC000105984099 1136015220 /nfs/dbraw/zinc/01/52/20/1136015220.db2.gz JYUHTQHOTDDNRD-UHFFFAOYSA-N 0 0 326.320 3.918 10 0 EHAERN CC(C)(c1noc([C@@H]2CCCN(C(=O)N3CCCC3)C2)n1)C1CCC1 ZINC000333153400 1137956710 /nfs/dbraw/zinc/95/67/10/1137956710.db2.gz IECOJXQEBQVVDH-CQSZACIVSA-N 0 0 346.475 3.543 10 0 EHAERN Cc1ccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)cc1 ZINC000333350514 1138280153 /nfs/dbraw/zinc/28/01/53/1138280153.db2.gz BAOZNWFPDWGOAK-XMTFNYHQSA-N 0 0 339.439 3.575 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](O)CC23CCC3)c2ccccc21 ZINC000333727496 1138326184 /nfs/dbraw/zinc/32/61/84/1138326184.db2.gz KNMORVUOXMADGY-IIDMSEBBSA-N 0 0 328.456 3.714 10 0 EHAERN Cc1ccc(-c2nc(CN3NC(=O)CC34CCCCC4)co2)cc1 ZINC000333901970 1138345233 /nfs/dbraw/zinc/34/52/33/1138345233.db2.gz SYUMAMGZWVBNNA-UHFFFAOYSA-N 0 0 325.412 3.590 10 0 EHAERN CCCCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184519327 1140106799 /nfs/dbraw/zinc/10/67/99/1140106799.db2.gz XSKKMCAOFWLQOQ-OAHLLOKOSA-N 0 0 343.431 3.743 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](C)Oc2ccccc2)cs1 ZINC000186689696 1140216977 /nfs/dbraw/zinc/21/69/77/1140216977.db2.gz QOMADSMBWSLGKS-DYVFJYSZSA-N 0 0 345.468 3.766 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cs1 ZINC000186995991 1140232266 /nfs/dbraw/zinc/23/22/66/1140232266.db2.gz XYCUJMOPUXENQL-KRWDZBQOSA-N 0 0 325.437 3.839 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)cc2)cs1 ZINC000188306863 1140291202 /nfs/dbraw/zinc/29/12/02/1140291202.db2.gz BAGOVFOSTGCHFJ-INIZCTEOSA-N 0 0 330.457 3.887 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-c3ccccc3)o2)C1 ZINC000190147777 1140389647 /nfs/dbraw/zinc/38/96/47/1140389647.db2.gz MRQVTTOOBINCPU-IAGOWNOFSA-N 0 0 339.395 3.600 10 0 EHAERN Cc1ccc(NC(=O)c2cc(N)nc(Cl)c2)c(Br)c1 ZINC000050694115 214067198 /nfs/dbraw/zinc/06/71/98/214067198.db2.gz CGCWUWNLLSKCDY-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN O[C@H]1CCCC[C@@H]1n1c(=S)[nH]c2cc(Br)ccc21 ZINC000052008322 214112352 /nfs/dbraw/zinc/11/23/52/214112352.db2.gz JLUNLLIGBBJZTN-RYUDHWBXSA-N 0 0 327.247 3.937 10 0 EHAERN Nc1oc(-c2cccs2)nc1-c1nc(-c2ccc(F)cc2)no1 ZINC000053993881 214209159 /nfs/dbraw/zinc/20/91/59/214209159.db2.gz HHLCRPFJHOPFNT-UHFFFAOYSA-N 0 0 328.328 3.841 10 0 EHAERN CCOC(=O)c1sc(Br)nc1Cc1ccccc1C ZINC000098177723 219086706 /nfs/dbraw/zinc/08/67/06/219086706.db2.gz YZUZBRZAYDYYJN-UHFFFAOYSA-N 0 0 340.242 3.982 10 0 EHAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100077005 219090395 /nfs/dbraw/zinc/09/03/95/219090395.db2.gz YUTKTUKJSCDHPW-IYBDPMFKSA-N 0 0 348.443 3.749 10 0 EHAERN CCCC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1C ZINC000104027458 219340676 /nfs/dbraw/zinc/34/06/76/219340676.db2.gz LJGSODLQNKQLHA-NSHDSACASA-N 0 0 334.279 3.615 10 0 EHAERN CC(=O)c1ccc(N(C)CC2CCOCC2)c(Br)c1 ZINC000104193754 219358661 /nfs/dbraw/zinc/35/86/61/219358661.db2.gz GSYUKCWIDVQVTF-UHFFFAOYSA-N 0 0 326.234 3.515 10 0 EHAERN Cc1ccc(S(=O)(=O)N(C(=O)C2CC2)c2cccc(C)c2C)cc1 ZINC000040992303 213407270 /nfs/dbraw/zinc/40/72/70/213407270.db2.gz VPZVPJIBYUVOIS-UHFFFAOYSA-N 0 0 343.448 3.744 10 0 EHAERN O=C1Nc2cc(Sc3ccc(Br)cc3)ccc2[C@H]1O ZINC000104286472 219370352 /nfs/dbraw/zinc/37/03/52/219370352.db2.gz NFDZOXWCSRNGDG-CYBMUJFWSA-N 0 0 336.210 3.586 10 0 EHAERN Cc1cc(OCCCC(=O)Nc2nncs2)cc(C)c1Cl ZINC000040912706 213399203 /nfs/dbraw/zinc/39/92/03/213399203.db2.gz IOFTYUCOLHTPHM-UHFFFAOYSA-N 0 0 325.821 3.606 10 0 EHAERN COc1ccccc1OC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 ZINC000040803168 213388846 /nfs/dbraw/zinc/38/88/46/213388846.db2.gz UNHXSLPJVICWNX-UHFFFAOYSA-N 0 0 328.364 3.971 10 0 EHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1F ZINC000040759136 213383613 /nfs/dbraw/zinc/38/36/13/213383613.db2.gz LXVSYDVIVGQNNP-UHFFFAOYSA-N 0 0 330.754 3.734 10 0 EHAERN Cc1ccc2cccc(Nc3ncnc(Nc4cccnc4)c3N)c2n1 ZINC000040758549 213383746 /nfs/dbraw/zinc/38/37/46/213383746.db2.gz XOOBKDKHYLBMRM-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN CCN(CC)c1ncnc(Nc2nc3ccc(C)cc3s2)c1N ZINC000040723248 213376553 /nfs/dbraw/zinc/37/65/53/213376553.db2.gz XQIDTFWDSLJCJC-UHFFFAOYSA-N 0 0 328.445 3.567 10 0 EHAERN CC(C)c1ccc(Oc2ncnc(-n3nnc4ccccc43)c2N)cc1 ZINC000040727619 213376586 /nfs/dbraw/zinc/37/65/86/213376586.db2.gz KNBNVDLJBKMOAD-UHFFFAOYSA-N 0 0 346.394 3.708 10 0 EHAERN COc1cccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c1 ZINC000040688122 213368909 /nfs/dbraw/zinc/36/89/09/213368909.db2.gz JPIZVDRVWJQPMI-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN Nc1c(NCc2ccc(F)cc2)ncnc1N1CCc2ccccc21 ZINC000040687443 213369380 /nfs/dbraw/zinc/36/93/80/213369380.db2.gz XAYRUZRULXPJAG-UHFFFAOYSA-N 0 0 335.386 3.504 10 0 EHAERN Cc1ccc(Oc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1 ZINC000040685032 213369488 /nfs/dbraw/zinc/36/94/88/213369488.db2.gz COTUSGMCRAUGOD-UHFFFAOYSA-N 0 0 336.351 3.632 10 0 EHAERN CCc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1 ZINC000040688601 213369256 /nfs/dbraw/zinc/36/92/56/213369256.db2.gz WDVJRCYKEAJSKZ-UHFFFAOYSA-N 0 0 330.395 3.704 10 0 EHAERN Cc1cc(Nc2ncnc(Oc3cccc4ccc(C)nc43)c2N)no1 ZINC000040680915 213368076 /nfs/dbraw/zinc/36/80/76/213368076.db2.gz OUKAFPMEWNLXOA-UHFFFAOYSA-N 0 0 348.366 3.748 10 0 EHAERN COC(=O)c1ccc(Oc2ccc(-c3csc(C)n3)cc2F)nn1 ZINC000040555442 213350299 /nfs/dbraw/zinc/35/02/99/213350299.db2.gz RGGFUUNDIDMLOO-UHFFFAOYSA-N 0 0 345.355 3.627 10 0 EHAERN COc1ccc2nc(NC(=O)c3ccc4[nH]c(C)nc4c3)sc2c1 ZINC000040311913 213291331 /nfs/dbraw/zinc/29/13/31/213291331.db2.gz LSJRBJVWSLQIGF-UHFFFAOYSA-N 0 0 338.392 3.742 10 0 EHAERN CC(C)(C)C(=O)NCc1nc2ccccc2n1CC(=O)c1ccccc1 ZINC000040190370 213280914 /nfs/dbraw/zinc/28/09/14/213280914.db2.gz OSJSDZWKQLOLLH-UHFFFAOYSA-N 0 0 349.434 3.582 10 0 EHAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3cccnc3Cl)c2c1 ZINC000040177076 213279519 /nfs/dbraw/zinc/27/95/19/213279519.db2.gz SHIGYBPWELXQKL-UHFFFAOYSA-N 0 0 325.799 3.883 10 0 EHAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1N ZINC000038001346 213185812 /nfs/dbraw/zinc/18/58/12/213185812.db2.gz OOLQGKGRWVMXRK-VIFPVBQESA-N 0 0 325.195 3.982 10 0 EHAERN COC(=O)[C@@H](NC1CCCCC1)c1ccc(F)c(Br)c1 ZINC000037972016 213177586 /nfs/dbraw/zinc/17/75/86/213177586.db2.gz DGSIFIBKPUXMEC-AWEZNQCLSA-N 0 0 344.224 3.725 10 0 EHAERN COc1ccc(Br)c(C(=O)Nc2cc(C(C)C)no2)c1 ZINC000037976855 213179969 /nfs/dbraw/zinc/17/99/69/213179969.db2.gz KRPCDIQFLUEIKW-UHFFFAOYSA-N 0 0 339.189 3.821 10 0 EHAERN NC(=O)[C@H](Nc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000037942529 213175229 /nfs/dbraw/zinc/17/52/29/213175229.db2.gz UUKNOLDLYGMULS-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=O)[C@@H](Nc1ccc(Br)cc1)c1ccccc1Cl ZINC000037944288 213175262 /nfs/dbraw/zinc/17/52/62/213175262.db2.gz LONGSBZHCNYRPB-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=O)[C@@H](Nc1ccccc1Cl)c1cccc(Br)c1 ZINC000037942329 213175389 /nfs/dbraw/zinc/17/53/89/213175389.db2.gz MKRJXJRALKRTPM-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN COc1ccc(CCNC(=O)Cc2ccc(NCC(C)C)cc2)cc1 ZINC000037554889 213157181 /nfs/dbraw/zinc/15/71/81/213157181.db2.gz DSUBYHKQWSAKCT-UHFFFAOYSA-N 0 0 340.467 3.665 10 0 EHAERN Cc1ccc(Br)cc1N[C@@H](C)C(=O)N1CCCCC1 ZINC000037368216 213141652 /nfs/dbraw/zinc/14/16/52/213141652.db2.gz SLNSXAGTUJQWQX-LBPRGKRZSA-N 0 0 325.250 3.570 10 0 EHAERN Nc1ccc(NC(=O)c2cc(F)cc(F)c2)c(Br)c1 ZINC000036738491 213114537 /nfs/dbraw/zinc/11/45/37/213114537.db2.gz VQWMFQKMYQMIPF-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN CCOc1ccccc1-n1nnc(C(=O)Oc2ccccc2C)c1C ZINC000036639016 213106614 /nfs/dbraw/zinc/10/66/14/213106614.db2.gz GJZCQCDNRNSFTI-UHFFFAOYSA-N 0 0 337.379 3.502 10 0 EHAERN CCOc1ccccc1-n1nnc(C(=O)Oc2cccc(C)c2)c1C ZINC000036639017 213106509 /nfs/dbraw/zinc/10/65/09/213106509.db2.gz WOHWYHXUQYCPCW-UHFFFAOYSA-N 0 0 337.379 3.502 10 0 EHAERN COCCNC(=O)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000036349057 213086103 /nfs/dbraw/zinc/08/61/03/213086103.db2.gz DVXCXTMOPBAAHY-UHFFFAOYSA-N 0 0 348.402 3.917 10 0 EHAERN O=C(Cc1ccccc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315116 213083198 /nfs/dbraw/zinc/08/31/98/213083198.db2.gz CLGILMKZQRSQGT-KRWDZBQOSA-N 0 0 345.389 3.715 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](O)C1 ZINC000035571608 213039551 /nfs/dbraw/zinc/03/95/51/213039551.db2.gz MDKOHRRCHDLIDT-KBPBESRZSA-N 0 0 345.361 3.791 10 0 EHAERN c1nc2c(ncnc2-c2ccccc2)n1[C@@H]1COc2ccccc2CO1 ZINC000035276888 213016564 /nfs/dbraw/zinc/01/65/64/213016564.db2.gz IEWCKHIQKPDUTL-KRWDZBQOSA-N 0 0 344.374 3.601 10 0 EHAERN COc1ccc(CNC(=O)/C=C\c2ccc(OCCCF)cc2)cc1 ZINC000033710504 212960192 /nfs/dbraw/zinc/96/01/92/212960192.db2.gz AHCCKOBSUFKSNE-GHXNOFRVSA-N 0 0 343.398 3.763 10 0 EHAERN CCc1ccc(NC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033304826 212919555 /nfs/dbraw/zinc/91/95/55/212919555.db2.gz AWKGYFUQRWFKDS-FLIBITNWSA-N 0 0 341.407 3.927 10 0 EHAERN CC[C@@H](C)C[C@](CC)(Nc1cccc(Br)c1)C(N)=O ZINC000037944391 213174696 /nfs/dbraw/zinc/17/46/96/213174696.db2.gz OGBVJJHKNATCKQ-ABAIWWIYSA-N 0 0 327.266 3.931 10 0 EHAERN O=C(Nc1ccc(F)c(F)c1)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450940 216238585 /nfs/dbraw/zinc/23/85/85/216238585.db2.gz RNFPQUUGSBCBPX-UHFFFAOYSA-N 0 0 344.292 3.712 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4ccncc4)c3c(=O)[nH]2)c(C)c1 ZINC000072441014 216235367 /nfs/dbraw/zinc/23/53/67/216235367.db2.gz WKPPLJXHQPYCNP-UHFFFAOYSA-N 0 0 343.390 3.741 10 0 EHAERN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccccc1F)C(C)C ZINC000027493726 212559895 /nfs/dbraw/zinc/55/98/95/212559895.db2.gz GJGHKWMSTAZTOT-QGZVFWFLSA-N 0 0 328.387 3.527 10 0 EHAERN Nc1nc(-c2cccc(Br)c2)c(Br)s1 ZINC000073711082 216415594 /nfs/dbraw/zinc/41/55/94/216415594.db2.gz NZEIFTPLGDEFTB-UHFFFAOYSA-N 0 0 334.036 3.917 10 0 EHAERN CCOC(=O)[C@@](C)(N[C@H](C)CC)c1cccc(Br)c1 ZINC000038067692 213199391 /nfs/dbraw/zinc/19/93/91/213199391.db2.gz QZCUPDWBNJUNRA-ABAIWWIYSA-N 0 0 328.250 3.616 10 0 EHAERN COc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c1 ZINC000021107273 212207110 /nfs/dbraw/zinc/20/71/10/212207110.db2.gz OWTMOWXKAGZILB-HXUWFJFHSA-N 0 0 345.402 3.857 10 0 EHAERN Cc1cccc(-c2nnc(-c3ccc(NC(=O)[C@H]4CCCO4)cc3)o2)c1 ZINC000021145066 212210953 /nfs/dbraw/zinc/21/09/53/212210953.db2.gz HDWZAZQKYHHBAA-QGZVFWFLSA-N 0 0 349.390 3.830 10 0 EHAERN CCOc1ccc(Cl)cc1C(=O)Nc1cccc(OC(C)=O)c1 ZINC000021025071 212200530 /nfs/dbraw/zinc/20/05/30/212200530.db2.gz CPQWEAOTRPAGNV-UHFFFAOYSA-N 0 0 333.771 3.916 10 0 EHAERN COc1ccc(CCC(=O)Nc2ccc(N)cc2Cl)cc1OC ZINC000020344619 212121285 /nfs/dbraw/zinc/12/12/85/212121285.db2.gz VMTIEFFOPYHOHS-UHFFFAOYSA-N 0 0 334.803 3.511 10 0 EHAERN CCc1sc2ncnc(N(C)CCO)c2c1-c1ccc(CC)cc1 ZINC000020318662 212118956 /nfs/dbraw/zinc/11/89/56/212118956.db2.gz NBQNQZSYAGGLGQ-UHFFFAOYSA-N 0 0 341.480 3.912 10 0 EHAERN NC(=S)Cc1ccc(OCc2ccccc2Br)cc1 ZINC000019423889 212027492 /nfs/dbraw/zinc/02/74/92/212027492.db2.gz LUWLSVYRDZCUSK-UHFFFAOYSA-N 0 0 336.254 3.857 10 0 EHAERN COc1ccc(Br)cc1NC[C@H](O)c1cccs1 ZINC000049566656 214020564 /nfs/dbraw/zinc/02/05/64/214020564.db2.gz CGLUEDINDHMEAL-NSHDSACASA-N 0 0 328.231 3.665 10 0 EHAERN CCOC(=O)CCc1ccc(OCc2cccc3c2NCC3)cc1F ZINC000089209977 217775469 /nfs/dbraw/zinc/77/54/69/217775469.db2.gz PIGHQHQYVPTPLZ-UHFFFAOYSA-N 0 0 343.398 3.868 10 0 EHAERN Cc1nc2sc(C(=O)N3CCCCC3)c(N)c2c2c1CCCC2 ZINC000011616074 211226402 /nfs/dbraw/zinc/22/64/02/211226402.db2.gz BWZRTXADOUJMIX-UHFFFAOYSA-N 0 0 329.469 3.692 10 0 EHAERN O=C(c1cccnc1)n1c(COc2ccccc2)nc2ccccc21 ZINC000010151144 211150348 /nfs/dbraw/zinc/15/03/48/211150348.db2.gz IVCMDNWIQWCYJV-UHFFFAOYSA-N 0 0 329.359 3.699 10 0 EHAERN O=C(NCc1cccnc1)c1csc(Nc2ccccc2Cl)n1 ZINC000009846132 211127911 /nfs/dbraw/zinc/12/79/11/211127911.db2.gz QPXQCUVHJUZIFF-UHFFFAOYSA-N 0 0 344.827 3.865 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCC(=O)c1ccco1 ZINC000095086384 218277560 /nfs/dbraw/zinc/27/75/60/218277560.db2.gz NGIXQBIVLRNAJB-CQSZACIVSA-N 0 0 337.416 3.659 10 0 EHAERN C[C@H](c1nccs1)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088799 218279227 /nfs/dbraw/zinc/27/92/27/218279227.db2.gz FOKSCZQUVJGVOZ-OLZOCXBDSA-N 0 0 325.478 3.535 10 0 EHAERN CCCCn1nc2cc(C(=O)NCc3ccco3)ccc2c1OCC ZINC000008801866 211007951 /nfs/dbraw/zinc/00/79/51/211007951.db2.gz KLCZUTHBIKPLMC-UHFFFAOYSA-N 0 0 341.411 3.758 10 0 EHAERN CC(C)(C)OC(=O)N1CCN[C@H](c2c(Cl)cccc2Cl)C1 ZINC000095752204 218447639 /nfs/dbraw/zinc/44/76/39/218447639.db2.gz LICYJALSKLVVGD-LBPRGKRZSA-N 0 0 331.243 3.875 10 0 EHAERN CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(OC)o1 ZINC000055060532 258061068 /nfs/dbraw/zinc/06/10/68/258061068.db2.gz IPGPGYSIGKUQCL-UHFFFAOYSA-N 0 0 330.384 3.978 10 0 EHAERN CC(=O)N(Cc1ccc(OCCc2ccc(F)cc2)cc1)C1CC1 ZINC000299756092 258074155 /nfs/dbraw/zinc/07/41/55/258074155.db2.gz BOAVRIWXZZCINP-UHFFFAOYSA-N 0 0 327.399 3.958 10 0 EHAERN Cc1csc(-c2cccc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c2)n1 ZINC000041315451 526303383 /nfs/dbraw/zinc/30/33/83/526303383.db2.gz HGGOLBGLGZASCF-IRXDYDNUSA-N 0 0 342.464 3.902 10 0 EHAERN COc1c(C(C)C)cc(O)c2c1CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000005761546 560202935 /nfs/dbraw/zinc/20/29/35/560202935.db2.gz YQHBJMHUMJXFDN-KKSFZXQISA-N 0 0 342.435 3.992 10 0 in-vitro EHAERN CC(C)=C[C@@H]1[C@H](C(=O)OCC(=O)c2ccc3c(c2)CCO3)C1(C)C ZINC000071796011 563921767 /nfs/dbraw/zinc/92/17/67/563921767.db2.gz RLCPWWCSGXBYPJ-CRAIPNDOSA-N 0 0 328.408 3.586 10 0 EHAERN O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCc2ccccc2C1 ZINC000033254296 563966059 /nfs/dbraw/zinc/96/60/59/563966059.db2.gz VLTVERMSQZRVOI-UHFFFAOYSA-N 0 0 345.402 3.813 10 0 EHAERN C[C@@H](c1ccccc1)N1C(=O)CC[C@]1(C)C(=O)NC1CCCCCC1 ZINC000000218624 563988770 /nfs/dbraw/zinc/98/87/70/563988770.db2.gz SJSYWAFLUMTAIC-HRAATJIYSA-N 0 0 342.483 3.968 10 0 EHAERN COc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1 ZINC000002044288 563996265 /nfs/dbraw/zinc/99/62/65/563996265.db2.gz OMDCUJKKOPRIEC-OAQYLSRUSA-N 0 0 331.371 3.549 10 0 EHAERN CC[C@@H](C(=O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000000408409 564082667 /nfs/dbraw/zinc/08/26/67/564082667.db2.gz PXCJDJOFPCZSTC-CYBMUJFWSA-N 0 0 326.783 3.953 10 0 EHAERN C[C@H]1N=C(c2ccccc2F)c2cc(Br)ccc2NC1=O ZINC000143934988 564128801 /nfs/dbraw/zinc/12/88/01/564128801.db2.gz QEFZCKUXGLDPPT-SECBINFHSA-N 0 0 347.187 3.766 10 0 EHAERN CCCN(CCc1nc(-c2cccc(C)c2)no1)C(=O)c1ccco1 ZINC000096276183 564146244 /nfs/dbraw/zinc/14/62/44/564146244.db2.gz OTWVDPQNZNCZDJ-UHFFFAOYSA-N 0 0 339.395 3.733 10 0 EHAERN O=C(C1CC1)N1CCC(C(=O)N(c2ccccc2)C2CCCC2)CC1 ZINC000069661774 564171325 /nfs/dbraw/zinc/17/13/25/564171325.db2.gz ANFBYPXCHXIEBT-UHFFFAOYSA-N 0 0 340.467 3.611 10 0 EHAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405605055 564177587 /nfs/dbraw/zinc/17/75/87/564177587.db2.gz IOZONGSMKIHBMQ-INIZCTEOSA-N 0 0 335.444 3.856 10 0 EHAERN C1[C@H](c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)[C@@H]1C1CCCCC1 ZINC000329743173 1032086019 /nfs/dbraw/zinc/08/60/19/1032086019.db2.gz XAWISIHPJPYBQM-QAETUUGQSA-N 0 0 331.460 3.679 10 0 EHAERN CCC[C@](C)([NH2+]Cc1cccc(Cl)c1Br)C(=O)[O-] ZINC000719411746 978002451 /nfs/dbraw/zinc/00/24/51/978002451.db2.gz HGBXAHKEFVZLEX-ZDUSSCGKSA-N 0 0 334.641 3.836 10 0 EHAERN C[C@H]1C[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CC(C)(C)C1 ZINC000275306448 1016349225 /nfs/dbraw/zinc/34/92/25/1016349225.db2.gz BBXACJFIFJXJCG-LEUOFYLZSA-N 0 0 330.472 3.880 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(C)c(Cl)cc2C)[nH]1 ZINC000407979559 1016672315 /nfs/dbraw/zinc/67/23/15/1016672315.db2.gz BZPZJCOVAMMIIG-OAHLLOKOSA-N 0 0 332.835 3.751 10 0 EHAERN Cc1c([C@H](C)NCc2ncc(-c3ccccc3Cl)o2)cnn1C ZINC000183432579 1032170019 /nfs/dbraw/zinc/17/00/19/1032170019.db2.gz BLZCVWFVRAVCEV-NSHDSACASA-N 0 0 330.819 3.888 10 0 EHAERN C[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000080740778 1032189362 /nfs/dbraw/zinc/18/93/62/1032189362.db2.gz VFPKQNXNBYJGID-BMFZPTHFSA-N 0 0 344.484 3.757 10 0 EHAERN Cc1cccc(NC(=O)N2CCCN(c3ccccn3)CC2)c1Cl ZINC000184120487 1032255192 /nfs/dbraw/zinc/25/51/92/1032255192.db2.gz DHDLVQCNMSPJTR-UHFFFAOYSA-N 0 0 344.846 3.788 10 0 EHAERN CC[C@@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1cccs1 ZINC000184278837 1032279962 /nfs/dbraw/zinc/27/99/62/1032279962.db2.gz XCCAXAOESMVPET-OAHLLOKOSA-N 0 0 344.484 3.516 10 0 EHAERN CC(C)c1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000184471311 1032303569 /nfs/dbraw/zinc/30/35/69/1032303569.db2.gz YIGWGDOQDDKHEE-OAHLLOKOSA-N 0 0 330.407 3.842 10 0 EHAERN Cc1csc([C@H]2CN(CCC(Cl)(Cl)Cl)CCO2)n1 ZINC000184492447 1032305309 /nfs/dbraw/zinc/30/53/09/1032305309.db2.gz BTNFNYUFIVWICA-SECBINFHSA-N 0 0 329.680 3.585 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3ncccc3C)C2)cc1 ZINC000184937323 1032345621 /nfs/dbraw/zinc/34/56/21/1032345621.db2.gz KGWOQOJIHXIESX-KTGWGUMDSA-N 0 0 336.435 3.816 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000083740935 1032422922 /nfs/dbraw/zinc/42/29/22/1032422922.db2.gz SOPMNUWJIJRXLB-IRXDYDNUSA-N 0 0 345.491 3.566 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(F)ccc3F)C2)c1 ZINC000081641430 1032615079 /nfs/dbraw/zinc/61/50/79/1032615079.db2.gz VANSKNQTCUHPLE-LBPRGKRZSA-N 0 0 347.361 3.612 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3sccc3C)C2)c1 ZINC000081640655 1032615579 /nfs/dbraw/zinc/61/55/79/1032615579.db2.gz FGYNYNTWTXGFRN-ZDUSSCGKSA-N 0 0 331.437 3.703 10 0 EHAERN CC(C)N(C(=O)c1csc(-c2ccc3c(c2)CCN3C)n1)C1CC1 ZINC000376912227 1017193832 /nfs/dbraw/zinc/19/38/32/1017193832.db2.gz VZFJZZUTHMMNDJ-UHFFFAOYSA-N 0 0 341.480 3.815 10 0 EHAERN O=C(N[C@H]1COc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000176285428 1017343491 /nfs/dbraw/zinc/34/34/91/1017343491.db2.gz NWIBEMUJQYTQSY-UONOGXRCSA-N 0 0 329.425 3.513 10 0 EHAERN O=C(c1sccc1Br)N1CCC[C@H]1c1nccs1 ZINC000377246612 1017522425 /nfs/dbraw/zinc/52/24/25/1017522425.db2.gz VHPUCJGCROTWLS-VIFPVBQESA-N 0 0 343.271 3.944 10 0 EHAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CC2(CC2)c2ccccc21 ZINC000080740968 1018219574 /nfs/dbraw/zinc/21/95/74/1018219574.db2.gz IPYLSKWNAOLBLR-SJLPKXTDSA-N 0 0 336.439 3.628 10 0 EHAERN CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C)CC3CC3)c2)n1 ZINC000177154266 1018340111 /nfs/dbraw/zinc/34/01/11/1018340111.db2.gz SBUYUTDQSFXRFK-LBPRGKRZSA-N 0 0 328.416 3.918 10 0 EHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330146175 1018358567 /nfs/dbraw/zinc/35/85/67/1018358567.db2.gz LKKGYKOTPHNLGC-BXWFABGCSA-N 0 0 348.491 3.649 10 0 EHAERN O=C(NC1CCC(F)(F)CC1)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000333222895 1018889402 /nfs/dbraw/zinc/88/94/02/1018889402.db2.gz WKMQMXDEGKLWNJ-STQMWFEESA-N 0 0 344.427 3.845 10 0 EHAERN C[C@]1(CNC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)CCCS1 ZINC000333244618 1018955779 /nfs/dbraw/zinc/95/57/79/1018955779.db2.gz QRDUZHCHVBPEBW-WOSRLPQWSA-N 0 0 340.514 3.553 10 0 EHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000283827868 1019315172 /nfs/dbraw/zinc/31/51/72/1019315172.db2.gz ZJIMZGBSUZUZIO-DJJJIMSYSA-N 0 0 344.842 3.655 10 0 EHAERN Cc1c(NC(=O)N2CC[C@H]3CCC[C@H]32)noc1-c1ccccc1F ZINC000333460655 1019617506 /nfs/dbraw/zinc/61/75/06/1019617506.db2.gz PNXYHRMCOXUHIB-IUODEOHRSA-N 0 0 329.375 3.617 10 0 EHAERN Cn1cc(CC(=O)Nc2cc(C3CCC(C(C)(C)C)CC3)[nH]n2)cn1 ZINC000118505414 1019797729 /nfs/dbraw/zinc/79/77/29/1019797729.db2.gz CUZWXJJLNSNIAZ-UHFFFAOYSA-N 0 0 343.475 3.644 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)s1 ZINC000093139776 1032881307 /nfs/dbraw/zinc/88/13/07/1032881307.db2.gz KMJDPZSKFYOYKH-PJQZNRQZSA-N 0 0 340.876 3.719 10 0 EHAERN CCC[C@]1(C)CCCN(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000153921702 1032951552 /nfs/dbraw/zinc/95/15/52/1032951552.db2.gz WSXPXOUKCHFDRE-HNAYVOBHSA-N 0 0 347.507 3.848 10 0 EHAERN Cc1nnc2ccc(-c3noc([C@]4(C)CC[C@H](C)C4(C)C)n3)cn12 ZINC000333755513 1021605583 /nfs/dbraw/zinc/60/55/83/1021605583.db2.gz ZRKUCVUGFGOYJP-VOJFVSQTSA-N 0 0 325.416 3.802 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164653893 1021810141 /nfs/dbraw/zinc/81/01/41/1021810141.db2.gz QTZQBLKOXYHHIM-SCTDSRPQSA-N 0 0 348.531 3.985 10 0 EHAERN O=C(Cc1n[nH]c2ccccc12)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000366671091 1021885901 /nfs/dbraw/zinc/88/59/01/1021885901.db2.gz QBAFOLCHRSNVDG-KGLIPLIRSA-N 0 0 337.398 3.697 10 0 EHAERN C[C@@H]1OCC[C@H]1NC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000333712820 1021902969 /nfs/dbraw/zinc/90/29/69/1021902969.db2.gz MMWMPHMFPWYMSD-VHSXEESVSA-N 0 0 337.832 3.762 10 0 EHAERN Cc1c2ccccc2oc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588433814 1022101643 /nfs/dbraw/zinc/10/16/43/1022101643.db2.gz IQFDYTGVSPWJJG-FPLPWBNLSA-N 0 0 344.411 3.552 10 0 EHAERN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000333719486 1022198058 /nfs/dbraw/zinc/19/80/58/1022198058.db2.gz NRKIBAIZGVAYQL-BZNIZROVSA-N 0 0 346.381 3.772 10 0 EHAERN O=C(c1cc(Cl)ccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127577859 1022378283 /nfs/dbraw/zinc/37/82/83/1022378283.db2.gz FSVWKDCXMRHREG-ZBEGNZNMSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127754719 1022393877 /nfs/dbraw/zinc/39/38/77/1022393877.db2.gz DCNPVQVHLLIJGH-MLGOLLRUSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128218820 1022418981 /nfs/dbraw/zinc/41/89/81/1022418981.db2.gz VSTYXICFGROLHS-CZUORRHYSA-N 0 0 342.361 3.864 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)[nH]1 ZINC000328733258 1022490091 /nfs/dbraw/zinc/49/00/91/1022490091.db2.gz JLTXKHVDZZKGBA-NXOAAHMSSA-N 0 0 330.476 3.773 10 0 EHAERN Cc1ccc2snc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)c2c1 ZINC000293613132 1022544516 /nfs/dbraw/zinc/54/45/16/1022544516.db2.gz LYSPNGRYZDUXPA-NUEKZKHPSA-N 0 0 344.480 3.760 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C)c1 ZINC000101735260 1022687126 /nfs/dbraw/zinc/68/71/26/1022687126.db2.gz MERQTZSHJPBAFQ-MRXNPFEDSA-N 0 0 345.487 3.708 10 0 EHAERN CCOC(=O)[C@@H](CNC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000101735087 1022687710 /nfs/dbraw/zinc/68/77/10/1022687710.db2.gz OEMLYNYOLBWIHW-QGZVFWFLSA-N 0 0 340.423 3.539 10 0 EHAERN C[C@H](CCn1cccn1)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000588448585 1022892257 /nfs/dbraw/zinc/89/22/57/1022892257.db2.gz KDRRDLINHZSFNV-FMFIFOJESA-N 0 0 333.457 3.672 10 0 EHAERN COc1ccc(C[C@H](C)COC(=O)/C=C\c2cccnc2)cc1F ZINC000588449145 1022912032 /nfs/dbraw/zinc/91/20/32/1022912032.db2.gz TVYPCQMWKDPVOL-QPBFKRLHSA-N 0 0 329.371 3.665 10 0 EHAERN CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCCc3c(O)cccc32)n1 ZINC000190224224 1023263448 /nfs/dbraw/zinc/26/34/48/1023263448.db2.gz LLDAODMWONFVNO-AWEZNQCLSA-N 0 0 345.830 3.766 10 0 EHAERN C[C@](O)(CNC(=O)C/C=C\c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000588470367 1023645151 /nfs/dbraw/zinc/64/51/51/1023645151.db2.gz OPDDTTLYDRUERE-GHMGLMHVSA-N 0 0 347.817 3.906 10 0 EHAERN Cc1c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)sc2nccc(C)c12 ZINC000329011590 1023741921 /nfs/dbraw/zinc/74/19/21/1023741921.db2.gz ZYVSKJIYQNSDLZ-CQSZACIVSA-N 0 0 340.452 3.624 10 0 EHAERN O=C(C/C=C\c1ccc(F)cc1)Nc1cccc2c1OCC[C@H]2O ZINC000588479310 1023882117 /nfs/dbraw/zinc/88/21/17/1023882117.db2.gz UMZZVQIABNXVBG-YKUAXSNGSA-N 0 0 327.355 3.684 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000180845383 1023963993 /nfs/dbraw/zinc/96/39/93/1023963993.db2.gz DZJCFBUKEUNHOU-KDOFPFPSSA-N 0 0 340.471 3.836 10 0 EHAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000329651553 1023985127 /nfs/dbraw/zinc/98/51/27/1023985127.db2.gz KVGVHDLMLFVNKL-UWWQBHOKSA-N 0 0 342.439 3.943 10 0 EHAERN Cc1nccn1-c1ncccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000151209095 1024063113 /nfs/dbraw/zinc/06/31/13/1024063113.db2.gz MMGJJXDERIQZDB-IAGOWNOFSA-N 0 0 332.407 3.626 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C[C@@H](C)O1 ZINC000247955569 1024204799 /nfs/dbraw/zinc/20/47/99/1024204799.db2.gz FMSRNXMLGJRNGX-INMHGKMJSA-N 0 0 344.455 3.642 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@H]2CCCc3c(O)cccc32)cn1 ZINC000192292539 1024246417 /nfs/dbraw/zinc/24/64/17/1024246417.db2.gz HVYMTSIVYCUPAP-HNNXBMFYSA-N 0 0 328.416 3.543 10 0 EHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248060676 1024246963 /nfs/dbraw/zinc/24/69/63/1024246963.db2.gz LVGWFGILBDMWDU-ZTTFOMCMSA-N 0 0 330.472 3.515 10 0 EHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000329910680 1024246971 /nfs/dbraw/zinc/24/69/71/1024246971.db2.gz ACJKAUXSBSLZPT-MAUKXSAKSA-N 0 0 330.428 3.508 10 0 EHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000329910675 1024247132 /nfs/dbraw/zinc/24/71/32/1024247132.db2.gz ACJKAUXSBSLZPT-CRAIPNDOSA-N 0 0 330.428 3.508 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000281176615 1024307605 /nfs/dbraw/zinc/30/76/05/1024307605.db2.gz LOGJTEZXUPNNKP-AITUJVMLSA-N 0 0 330.472 3.781 10 0 EHAERN CC[C@@H]1CCc2nc(NC(=O)N(C)[C@@H](C)c3cnn(C)c3)sc2C1 ZINC000194490975 1024418789 /nfs/dbraw/zinc/41/87/89/1024418789.db2.gz KWBUGLFYTGZSHO-NWDGAFQWSA-N 0 0 347.488 3.616 10 0 EHAERN Cn1cc(NC(=O)NC2CC(C(F)(F)F)C2)c(C2CCCCC2)n1 ZINC000333669296 1024511368 /nfs/dbraw/zinc/51/13/68/1024511368.db2.gz NNCXLCGQMSWSAL-UHFFFAOYSA-N 0 0 344.381 3.930 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3cccc(F)c3)c21 ZINC000103178737 1024563675 /nfs/dbraw/zinc/56/36/75/1024563675.db2.gz IYIZLIHUXOVHBB-UHFFFAOYSA-N 0 0 325.387 3.657 10 0 EHAERN CC(C)(C)c1csc(CNC(=O)c2coc(Br)c2)n1 ZINC000104579325 1024783929 /nfs/dbraw/zinc/78/39/29/1024783929.db2.gz SAMPSICDGPVADA-UHFFFAOYSA-N 0 0 343.246 3.726 10 0 EHAERN CC(=CC(C)(C)C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000588500028 1025233089 /nfs/dbraw/zinc/23/30/89/1025233089.db2.gz XSTQTVHBSUGOMP-QXMHVHEDSA-N 0 0 325.412 3.676 10 0 EHAERN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000102905488 1025542290 /nfs/dbraw/zinc/54/22/90/1025542290.db2.gz PWYXVVUQAWMUEU-FZMZJTMJSA-N 0 0 345.270 3.745 10 0 EHAERN O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329169176 1025637803 /nfs/dbraw/zinc/63/78/03/1025637803.db2.gz JLHXGXNCRVWAKG-RKTXRCNFSA-N 0 0 343.471 3.869 10 0 EHAERN O=C(NCc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@H]1c1ccco1 ZINC000121729718 1025741731 /nfs/dbraw/zinc/74/17/31/1025741731.db2.gz YJYPDIFEASOUJB-NEPJUHHUSA-N 0 0 327.277 3.857 10 0 EHAERN C[C@@H]1CCC[C@@H]1c1nc(-c2ccc([C@]3(C)NC(=O)NC3=O)cc2)no1 ZINC000329555622 1025997722 /nfs/dbraw/zinc/99/77/22/1025997722.db2.gz HCMSGGJAZHDQQE-LNSDYSHSSA-N 0 0 340.383 3.740 10 0 EHAERN Cc1cccc(-c2noc(Cn3c4ccc(Cl)cc4oc3=O)n2)c1 ZINC000103259718 1026079917 /nfs/dbraw/zinc/07/99/17/1026079917.db2.gz SXXXVSONZZFWQH-UHFFFAOYSA-N 0 0 341.754 3.655 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCO[C@H]2CCCC[C@H]21 ZINC000047923784 1026213770 /nfs/dbraw/zinc/21/37/70/1026213770.db2.gz JEORBDYABJNVTG-CVEARBPZSA-N 0 0 346.814 3.779 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(Cl)nc3)C2)cc1 ZINC000122178668 1026261980 /nfs/dbraw/zinc/26/19/80/1026261980.db2.gz AJJRNQSQMALTQL-SWLSCSKDSA-N 0 0 330.815 3.762 10 0 EHAERN CCC(CC)CNC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000104549485 1026262127 /nfs/dbraw/zinc/26/21/27/1026262127.db2.gz UGNJCVHZBYCEBZ-UHFFFAOYSA-N 0 0 342.468 3.712 10 0 EHAERN C[C@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CC1(Cl)Cl ZINC000152928848 1026856553 /nfs/dbraw/zinc/85/65/53/1026856553.db2.gz XIHURFOKTBXSNP-MRXNPFEDSA-N 0 0 335.234 3.949 10 0 EHAERN CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000152981850 1026908809 /nfs/dbraw/zinc/90/88/09/1026908809.db2.gz HEJGTDHBADCNCV-HNNXBMFYSA-N 0 0 332.425 3.915 10 0 EHAERN CCCc1nc([C@H](Nc2ncnc(CC)c2F)c2ccccc2)no1 ZINC000301971952 1027010253 /nfs/dbraw/zinc/01/02/53/1027010253.db2.gz SUFAXBSRSAUUOC-MRXNPFEDSA-N 0 0 341.390 3.715 10 0 EHAERN Cc1cccc([C@@H](NS(=O)(=O)[C@@H](C)CC(C)C)c2ccccn2)c1 ZINC000129899518 1027612755 /nfs/dbraw/zinc/61/27/55/1027612755.db2.gz DFYGVSLQKQDBMP-QFBILLFUSA-N 0 0 346.496 3.833 10 0 EHAERN CC(C)CSCCCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000129954626 1027620127 /nfs/dbraw/zinc/62/01/27/1027620127.db2.gz CVSJZCRZHLSQBP-CQSZACIVSA-N 0 0 341.546 3.811 10 0 EHAERN COCCC(C)(C)CNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000130692479 1027692463 /nfs/dbraw/zinc/69/24/63/1027692463.db2.gz JKQMJCCJTKTXDV-UHFFFAOYSA-N 0 0 334.435 3.687 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246092682 1027712375 /nfs/dbraw/zinc/71/23/75/1027712375.db2.gz CNJJSSVOWQLZHJ-BDLOOMQFSA-N 0 0 331.481 3.624 10 0 EHAERN COc1ccc(C(=O)[C@H]2CCCN2C(=O)CCc2cccs2)cc1 ZINC000049703382 1027838092 /nfs/dbraw/zinc/83/80/92/1027838092.db2.gz GKLSYLANCRBNNO-QGZVFWFLSA-N 0 0 343.448 3.563 10 0 EHAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000246158747 1027849869 /nfs/dbraw/zinc/84/98/69/1027849869.db2.gz LPDQJVLYOQKUCO-UXIGCNINSA-N 0 0 328.239 3.559 10 0 EHAERN CO[C@@H]1CN(C(=O)/C=C\c2ccc3ccc(Cl)cc3n2)CC[C@@H]1C ZINC000588552285 1027887038 /nfs/dbraw/zinc/88/70/38/1027887038.db2.gz ZFWZLBFKCNAYDJ-SUNDSAHDSA-N 0 0 344.842 3.785 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)c1cccs1 ZINC000111835770 1027937590 /nfs/dbraw/zinc/93/75/90/1027937590.db2.gz BHUPDTQZJZZVAC-CABCVRRESA-N 0 0 332.473 3.751 10 0 EHAERN CC[C@]1(C)CN(C(=O)/C=C\c2ccc3ccc(Cl)cc3n2)CCO1 ZINC000588554028 1027956794 /nfs/dbraw/zinc/95/67/94/1027956794.db2.gz QJLUPEXMMJCFFY-OLHLWXQYSA-N 0 0 344.842 3.929 10 0 EHAERN NC(=O)c1ccccc1OCc1ncc(-c2ccccc2Cl)o1 ZINC000132950821 1027984428 /nfs/dbraw/zinc/98/44/28/1027984428.db2.gz ZTEVHIBTWSESPX-UHFFFAOYSA-N 0 0 328.755 3.673 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)CCO2)o1 ZINC000133343863 1028020242 /nfs/dbraw/zinc/02/02/42/1028020242.db2.gz ZDMOGABZPWZNII-CPUCHLNUSA-N 0 0 347.361 3.570 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)c1cccs1 ZINC000133940569 1028081328 /nfs/dbraw/zinc/08/13/28/1028081328.db2.gz ZZTYGUXHGJGMNW-DVOMOZLQSA-N 0 0 340.514 3.553 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CCO2)o1 ZINC000134192287 1028098485 /nfs/dbraw/zinc/09/84/85/1028098485.db2.gz SZCTUEXWOKILTL-LMMKCTJWSA-N 0 0 325.408 3.600 10 0 EHAERN COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CC1CC1)c1ccccn1 ZINC000134234423 1028105336 /nfs/dbraw/zinc/10/53/36/1028105336.db2.gz IOACLWFKRFIGRR-IFXJQAMLSA-N 0 0 339.439 3.667 10 0 EHAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000246301006 1028183499 /nfs/dbraw/zinc/18/34/99/1028183499.db2.gz GUILQTGPLDZYGJ-JPUXWFAOSA-N 0 0 341.476 3.580 10 0 EHAERN COC[C@H]1CCCN(C(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 ZINC000455492480 1028263814 /nfs/dbraw/zinc/26/38/14/1028263814.db2.gz YIDBOQMBGAIKOS-LBPRGKRZSA-N 0 0 345.365 3.689 10 0 EHAERN O=Cc1ccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 ZINC000066628203 1028335806 /nfs/dbraw/zinc/33/58/06/1028335806.db2.gz MYVOZTPJESTMLO-UHFFFAOYSA-N 0 0 345.402 3.951 10 0 EHAERN CCSc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cn1 ZINC000067046257 1028352636 /nfs/dbraw/zinc/35/26/36/1028352636.db2.gz UWICFHSDTHIRPB-ZDUSSCGKSA-N 0 0 333.482 3.670 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Nc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC000067609378 1028372122 /nfs/dbraw/zinc/37/21/22/1028372122.db2.gz TUBISXUNBCFKRI-ZBFHGGJFSA-N 0 0 349.438 3.520 10 0 EHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@H](O)CC23CCC3)cc1 ZINC000333595404 1028390812 /nfs/dbraw/zinc/39/08/12/1028390812.db2.gz VSJUCPNCWJXYRF-QAPCUYQASA-N 0 0 330.472 3.960 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 ZINC000062131243 1028442066 /nfs/dbraw/zinc/44/20/66/1028442066.db2.gz TUTJEQRPPMWZFR-UHFFFAOYSA-N 0 0 348.450 3.601 10 0 EHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000246424759 1028482466 /nfs/dbraw/zinc/48/24/66/1028482466.db2.gz IMNKLBRFQSFLSP-OKZBNKHCSA-N 0 0 343.858 3.640 10 0 EHAERN COc1cc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)ccc1C ZINC000194400964 1028512771 /nfs/dbraw/zinc/51/27/71/1028512771.db2.gz LRXUSVJLEZRSAL-KRWDZBQOSA-N 0 0 343.814 3.919 10 0 EHAERN CN(C(=O)[C@H]1CCCc2cccnc21)c1ccc(-c2ccccc2)nn1 ZINC000194642775 1028529553 /nfs/dbraw/zinc/52/95/53/1028529553.db2.gz ZVGPADATXDKVAV-KRWDZBQOSA-N 0 0 344.418 3.622 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1cccnc1 ZINC000073525122 1028561701 /nfs/dbraw/zinc/56/17/01/1028561701.db2.gz OQAKHLSOPLRTRA-CQSZACIVSA-N 0 0 342.418 3.568 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000246684676 1028588645 /nfs/dbraw/zinc/58/86/45/1028588645.db2.gz DKYLEYDHEQNBRA-YLFCFFPRSA-N 0 0 332.492 3.617 10 0 EHAERN O=C(c1cnc(-c2ncccn2)s1)N1CC=C(c2ccccc2)CC1 ZINC000195427869 1028610077 /nfs/dbraw/zinc/61/00/77/1028610077.db2.gz ALHHEQWKZQPOGA-UHFFFAOYSA-N 0 0 348.431 3.530 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000075389757 1028650325 /nfs/dbraw/zinc/65/03/25/1028650325.db2.gz PCSIULHSRSVCNI-RKVPGOIHSA-N 0 0 341.407 3.859 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000246740703 1028667870 /nfs/dbraw/zinc/66/78/70/1028667870.db2.gz KQGFRAZZZQKWTN-QBPKDAKJSA-N 0 0 332.492 3.617 10 0 EHAERN CSc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246716986 1028680061 /nfs/dbraw/zinc/68/00/61/1028680061.db2.gz NNNAEEVSYPUUBX-BZUAXINKSA-N 0 0 332.469 3.878 10 0 EHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000245436028 1028710338 /nfs/dbraw/zinc/71/03/38/1028710338.db2.gz UPUOWUAZWWPSII-IACUBPJLSA-N 0 0 342.361 3.949 10 0 EHAERN O=C(c1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1)c1cccc(O)c1 ZINC000333608157 1028764304 /nfs/dbraw/zinc/76/43/04/1028764304.db2.gz ZPPIRHJAUFIAFH-IFXJQAMLSA-N 0 0 335.403 3.638 10 0 EHAERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1-c1ncco1 ZINC000248156767 1028853148 /nfs/dbraw/zinc/85/31/48/1028853148.db2.gz RLMHEPJNKTZVSQ-USXIJHARSA-N 0 0 341.411 3.729 10 0 EHAERN C[C@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@H]1n1ccnc1 ZINC000245568294 1028857287 /nfs/dbraw/zinc/85/72/87/1028857287.db2.gz FXGIGABWXZTKQH-DZGCQCFKSA-N 0 0 328.441 3.683 10 0 EHAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248427874 1028900179 /nfs/dbraw/zinc/90/01/79/1028900179.db2.gz OCTSYPYVUHORSY-UOUZQGKXSA-N 0 0 349.858 3.623 10 0 EHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248433885 1028900562 /nfs/dbraw/zinc/90/05/62/1028900562.db2.gz QXVIBGAGEDXKNP-RWMBFGLXSA-N 0 0 331.382 3.748 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000248654132 1028935493 /nfs/dbraw/zinc/93/54/93/1028935493.db2.gz PDANDBNAQUWDRR-NILFDRSVSA-N 0 0 335.835 3.513 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000248715321 1028940383 /nfs/dbraw/zinc/94/03/83/1028940383.db2.gz RFASHJSZASQMGV-HBUWYVDXSA-N 0 0 334.419 3.588 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2c(C)cc(Cl)cc2C)C1 ZINC000248822698 1028952974 /nfs/dbraw/zinc/95/29/74/1028952974.db2.gz FQARMWUUFTVQRF-ZBFHGGJFSA-N 0 0 335.835 3.610 10 0 EHAERN COc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1OC(C)C ZINC000248860658 1028958679 /nfs/dbraw/zinc/95/86/79/1028958679.db2.gz GCZZQDZXHGAQDI-ARFHVFGLSA-N 0 0 348.443 3.562 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000248981088 1028975272 /nfs/dbraw/zinc/97/52/72/1028975272.db2.gz SMCKUZMCKJUNPP-LCGIIJARSA-N 0 0 349.475 3.519 10 0 EHAERN COc1cc(C)c(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000249492622 1029005779 /nfs/dbraw/zinc/00/57/79/1029005779.db2.gz ZWQGPGLFKXAHRZ-JCURWCKSSA-N 0 0 348.418 3.612 10 0 EHAERN C[C@@H](CC(=O)N(C)[C@@H]1CCCc2c1cnn2C)Cc1cccc(F)c1 ZINC000154501347 1029193643 /nfs/dbraw/zinc/19/36/43/1029193643.db2.gz LEOXNZXMVJQGIN-RDTXWAMCSA-N 0 0 343.446 3.664 10 0 EHAERN FC(F)Oc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000245747054 1029234555 /nfs/dbraw/zinc/23/45/55/1029234555.db2.gz GTMQOZYZLYPIJT-TZMCWYRMSA-N 0 0 349.830 3.648 10 0 EHAERN CC(=O)Nc1cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1F ZINC000248452967 1029264960 /nfs/dbraw/zinc/26/49/60/1029264960.db2.gz YXOQCMXZWBHBTP-PZSREKOKSA-N 0 0 333.407 3.827 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245772054 1029274037 /nfs/dbraw/zinc/27/40/37/1029274037.db2.gz GRHKEPOUKDQZHE-CSMYWGQOSA-N 0 0 344.842 3.817 10 0 EHAERN COc1ccccc1[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccn1 ZINC000245861740 1029388180 /nfs/dbraw/zinc/38/81/80/1029388180.db2.gz KXLSGKRMYPRFGU-VVVONTASSA-N 0 0 336.435 3.732 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccncc1 ZINC000155026645 1029406232 /nfs/dbraw/zinc/40/62/32/1029406232.db2.gz LNYRDONFASHCAE-XJKSGUPXSA-N 0 0 325.412 3.744 10 0 EHAERN Cc1nc([C@H](NC2C[C@H](C)O[C@@H](C)C2)c2ccc(Cl)cc2)no1 ZINC000245959171 1029517348 /nfs/dbraw/zinc/51/73/48/1029517348.db2.gz XUYFQVHPLCWUML-XMZIXOGTSA-N 0 0 335.835 3.666 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000155458287 1029543193 /nfs/dbraw/zinc/54/31/93/1029543193.db2.gz CGIFJTXGSBRCLM-MLGOLLRUSA-N 0 0 344.480 3.664 10 0 EHAERN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Cl)Cl)C[C@H](c2ccsc2)O1 ZINC000155700258 1029622902 /nfs/dbraw/zinc/62/29/02/1029622902.db2.gz TWAYMCCETNIVAD-XWIASGKRSA-N 0 0 334.268 3.620 10 0 EHAERN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000156033308 1029727025 /nfs/dbraw/zinc/72/70/25/1029727025.db2.gz PXKPSNNINYPDNY-PBHICJAKSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1nc(Cl)ccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000156263388 1029790767 /nfs/dbraw/zinc/79/07/67/1029790767.db2.gz LRXROUKWMUFSBX-UHFFFAOYSA-N 0 0 347.821 3.899 10 0 EHAERN Cc1csc(C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)n1 ZINC000156755564 1029999121 /nfs/dbraw/zinc/99/91/21/1029999121.db2.gz BKECJKJUVHGFHB-UHFFFAOYSA-N 0 0 329.469 3.578 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3ccccc3C)CCO2)o1 ZINC000157275342 1030400219 /nfs/dbraw/zinc/40/02/19/1030400219.db2.gz NSUMQAOUKNAHDW-CRAIPNDOSA-N 0 0 328.412 3.741 10 0 EHAERN C[C@H](Cc1nc([C@@H]2CN3CCC[C@]3(C)CO2)no1)C1CCCCC1 ZINC000329370425 1030539131 /nfs/dbraw/zinc/53/91/31/1030539131.db2.gz AROYFEGHYJKETN-SIXWZSSISA-N 0 0 333.476 3.754 10 0 EHAERN CN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccccc1F ZINC000102250476 1030673855 /nfs/dbraw/zinc/67/38/55/1030673855.db2.gz SKUZCNCRSUOWNB-UHFFFAOYSA-N 0 0 329.762 3.941 10 0 EHAERN CCc1nn(C)c(Cl)c1CN1CCC(OCC2CCCC2)CC1 ZINC000093818242 1030681314 /nfs/dbraw/zinc/68/13/14/1030681314.db2.gz CLZIHGJMCJJWKS-UHFFFAOYSA-N 0 0 339.911 3.807 10 0 EHAERN CC(C)Oc1ccc(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000170679756 1030697737 /nfs/dbraw/zinc/69/77/37/1030697737.db2.gz HZIFBSGWWRRKFK-JEJOPICUSA-N 0 0 339.439 3.616 10 0 EHAERN CCSc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccn1 ZINC000171640462 1030770003 /nfs/dbraw/zinc/77/00/03/1030770003.db2.gz JRRPSSUOWXZFNF-ZDUSSCGKSA-N 0 0 333.482 3.670 10 0 EHAERN COc1ccccc1NC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171807788 1030820650 /nfs/dbraw/zinc/82/06/50/1030820650.db2.gz LAGAKJAXTVFASB-UHFFFAOYSA-N 0 0 325.412 3.577 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000172052408 1030867474 /nfs/dbraw/zinc/86/74/74/1030867474.db2.gz ZGFLZWGMKIQEAF-AUUYWEPGSA-N 0 0 334.375 3.773 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CCCCC3)CC2)nc1 ZINC000157808037 1030877479 /nfs/dbraw/zinc/87/74/79/1030877479.db2.gz DLCSEAHZYJEQPU-RBUKOAKNSA-N 0 0 341.499 3.691 10 0 EHAERN CC(C)(C(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(F)c1 ZINC000172513245 1030969214 /nfs/dbraw/zinc/96/92/14/1030969214.db2.gz AZRNJCYPQGCMIO-ZDUSSCGKSA-N 0 0 332.444 3.966 10 0 EHAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000173064338 1031019920 /nfs/dbraw/zinc/01/99/20/1031019920.db2.gz GCNXCHQTGDVYTN-CYBMUJFWSA-N 0 0 343.496 3.593 10 0 EHAERN CCc1cnc(CNC(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000174171002 1031173426 /nfs/dbraw/zinc/17/34/26/1031173426.db2.gz JIQBHZLRBWJIPH-UHFFFAOYSA-N 0 0 327.453 3.704 10 0 EHAERN C[C@]1(c2nc(-c3ccsc3)no2)CCCN1C(=O)c1ccccc1 ZINC000116606464 1031253956 /nfs/dbraw/zinc/25/39/56/1031253956.db2.gz QYZSYBHVDKEUBS-GOSISDBHSA-N 0 0 339.420 3.950 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C3(c4ccccc4C)CC3)CC2)n1 ZINC000116669299 1031265418 /nfs/dbraw/zinc/26/54/18/1031265418.db2.gz CPQVKJUEIQMDDA-UHFFFAOYSA-N 0 0 349.478 3.515 10 0 EHAERN CCC(CC)(CC)NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000175028143 1031268436 /nfs/dbraw/zinc/26/84/36/1031268436.db2.gz SZEOEWVHSMMXJY-UHFFFAOYSA-N 0 0 332.492 3.627 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000155957362 1031271737 /nfs/dbraw/zinc/27/17/37/1031271737.db2.gz DTFHZVBFNVDDLE-CABCVRRESA-N 0 0 332.492 3.959 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccncc1 ZINC000175306012 1031293764 /nfs/dbraw/zinc/29/37/64/1031293764.db2.gz OHADTUILZSOQBN-IMJJTQAJSA-N 0 0 345.468 3.502 10 0 EHAERN CN(CCc1cccs1)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000175304373 1031293957 /nfs/dbraw/zinc/29/39/57/1031293957.db2.gz QWQXHXVONBONFE-OAHLLOKOSA-N 0 0 343.496 3.556 10 0 EHAERN C[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1ccncc1 ZINC000175333329 1031296055 /nfs/dbraw/zinc/29/60/55/1031296055.db2.gz ONDVLOJFVYACSL-HNNXBMFYSA-N 0 0 331.460 3.523 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)Nc3ccc(-c4cc[nH]n4)cc3)nc21 ZINC000175360260 1031299281 /nfs/dbraw/zinc/29/92/81/1031299281.db2.gz SMGJSQLBUHHVKE-UHFFFAOYSA-N 0 0 345.406 3.833 10 0 EHAERN Cc1cccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c1Cl ZINC000158392893 1031306692 /nfs/dbraw/zinc/30/66/92/1031306692.db2.gz IUKGDNGTAHEMKI-UHFFFAOYSA-N 0 0 346.862 3.869 10 0 EHAERN O=C(c1ncncc1Cl)N1CCC(CCc2ccccc2)CC1 ZINC000175190399 1031309212 /nfs/dbraw/zinc/30/92/12/1031309212.db2.gz WBJKAGCIPRFNKV-UHFFFAOYSA-N 0 0 329.831 3.615 10 0 EHAERN Cc1cccc(N2CCC(Nc3nc4cc(F)ccc4o3)CC2)n1 ZINC000116873255 1031401108 /nfs/dbraw/zinc/40/11/08/1031401108.db2.gz GKNJRTADDYEXKY-UHFFFAOYSA-N 0 0 326.375 3.751 10 0 EHAERN CC[C@]1(CO)CCCN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000252001294 1031429663 /nfs/dbraw/zinc/42/96/63/1031429663.db2.gz WNMDTYVSZXNTKO-BPAFIMBUSA-N 0 0 330.472 3.819 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1cccs1 ZINC000176579330 1031461988 /nfs/dbraw/zinc/46/19/88/1031461988.db2.gz URORWSZTBDRTQH-SSOXJGGVSA-N 0 0 342.530 3.578 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](Cc4ccccc4)C3)nc21 ZINC000177060785 1031530096 /nfs/dbraw/zinc/53/00/96/1031530096.db2.gz DGNGDTOBBANZCX-SFHVURJKSA-N 0 0 347.462 3.895 10 0 EHAERN Cc1ccc([C@H]2CN(CC(=O)Nc3ccccc3C(C)C)CCO2)o1 ZINC000158849513 1031664158 /nfs/dbraw/zinc/66/41/58/1031664158.db2.gz XDJIKEGAIIADMM-LJQANCHMSA-N 0 0 342.439 3.723 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1coc(-c2cccs2)n1 ZINC000117588475 1031759828 /nfs/dbraw/zinc/75/98/28/1031759828.db2.gz CTTQFFJROSCCCL-BDJLRTHQSA-N 0 0 340.404 3.584 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N(Cc1ccncc1)C1CC1 ZINC000179503435 1031782841 /nfs/dbraw/zinc/78/28/41/1031782841.db2.gz DIVJKAWPFSFJOD-UHFFFAOYSA-N 0 0 333.395 3.668 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000179627005 1031793575 /nfs/dbraw/zinc/79/35/75/1031793575.db2.gz HOCLDJFYABLRKN-IAGOWNOFSA-N 0 0 345.826 3.794 10 0 EHAERN CCc1noc(-c2ccc(C)c(NCc3ccc(O)c(OC)c3)c2)n1 ZINC000180102939 1031802108 /nfs/dbraw/zinc/80/21/08/1031802108.db2.gz CAJQDMRWVXHYTR-UHFFFAOYSA-N 0 0 339.395 3.934 10 0 EHAERN C[S@](=O)Cc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117857412 1031911208 /nfs/dbraw/zinc/91/12/08/1031911208.db2.gz NJZAHICBHVFUSA-HSZRJFAPSA-N 0 0 345.489 3.556 10 0 EHAERN COCc1ccsc1C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000181009923 1031935677 /nfs/dbraw/zinc/93/56/77/1031935677.db2.gz JKWBRDAJLKEYMR-UHFFFAOYSA-N 0 0 331.437 3.578 10 0 EHAERN CCc1cc(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)ccc1C ZINC000181982890 1032051823 /nfs/dbraw/zinc/05/18/23/1032051823.db2.gz JPEAVDJMPCRHAJ-MRXNPFEDSA-N 0 0 340.471 3.778 10 0 EHAERN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2ncon2)c1 ZINC000101525753 1033736468 /nfs/dbraw/zinc/73/64/68/1033736468.db2.gz RAHYGNNWPYFMQW-UHFFFAOYSA-N 0 0 347.296 3.937 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NC[C@H](C)Cc3cccs3)CCO2)o1 ZINC000120394929 1033750656 /nfs/dbraw/zinc/75/06/56/1033750656.db2.gz BMZYQWZSPZQBTK-DYVFJYSZSA-N 0 0 348.468 3.611 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000083013901 1033841634 /nfs/dbraw/zinc/84/16/34/1033841634.db2.gz DXTNJXORPFIVSJ-KPZWWZAWSA-N 0 0 342.464 3.545 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000083711896 1033890905 /nfs/dbraw/zinc/89/09/05/1033890905.db2.gz LFMFKKNFVAQDDQ-TZMCWYRMSA-N 0 0 347.488 3.570 10 0 EHAERN C[C@@H](Sc1ccccn1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000084924977 1033935304 /nfs/dbraw/zinc/93/53/04/1033935304.db2.gz MCCNDMPOKWIFTL-CYBMUJFWSA-N 0 0 330.478 3.940 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246997528 1034767609 /nfs/dbraw/zinc/76/76/09/1034767609.db2.gz LIUFLASUSNIMJH-BOFPYLFWSA-N 0 0 348.874 3.664 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc[nH]c3=S)C2)cc1 ZINC000121304067 1034814064 /nfs/dbraw/zinc/81/40/64/1034814064.db2.gz ZHMBWTNEZSDYFB-TZMCWYRMSA-N 0 0 328.437 3.771 10 0 EHAERN COCCC(C)(C)CNC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000186123082 1035585482 /nfs/dbraw/zinc/58/54/82/1035585482.db2.gz WOBZAPXCLQODEJ-WBVHZDCISA-N 0 0 348.487 3.645 10 0 EHAERN COCCC(C)(C)CNC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000186123137 1035586845 /nfs/dbraw/zinc/58/68/45/1035586845.db2.gz WOBZAPXCLQODEJ-DOTOQJQBSA-N 0 0 348.487 3.645 10 0 EHAERN COCc1ccccc1CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186143367 1035588817 /nfs/dbraw/zinc/58/88/17/1035588817.db2.gz OPIMCPNRKWTHLV-KRWDZBQOSA-N 0 0 345.468 3.645 10 0 EHAERN CCO[C@@H]1C[C@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186550763 1035657061 /nfs/dbraw/zinc/65/70/61/1035657061.db2.gz GXPZTLWFQZGKGD-DLBZAZTESA-N 0 0 329.444 3.814 10 0 EHAERN O=C(NCCC[C@@H]1CCCCO1)N1CC=C(c2ccccc2)CC1 ZINC000186584744 1035663519 /nfs/dbraw/zinc/66/35/19/1035663519.db2.gz WNUUBEOEPLMRMY-IBGZPJMESA-N 0 0 328.456 3.835 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000186855776 1035731821 /nfs/dbraw/zinc/73/18/21/1035731821.db2.gz HMRFBGGZOICQKK-NSHDSACASA-N 0 0 334.397 3.805 10 0 EHAERN COc1cnccc1[C@H](C)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000187007538 1035738166 /nfs/dbraw/zinc/73/81/66/1035738166.db2.gz BLUWXUQSABZILY-NSHDSACASA-N 0 0 344.802 3.644 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)C1(Cc2ccccc2F)CC1 ZINC000187913909 1035869272 /nfs/dbraw/zinc/86/92/72/1035869272.db2.gz POYOZYMSPUHRJZ-UHFFFAOYSA-N 0 0 337.354 3.837 10 0 EHAERN Cc1nnc(-c2ccccc2C(=O)N[C@H]2CCOc3c(C)cccc32)o1 ZINC000188099115 1035894852 /nfs/dbraw/zinc/89/48/52/1035894852.db2.gz NVTNWHJNDDCJMH-KRWDZBQOSA-N 0 0 349.390 3.607 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188598900 1035931057 /nfs/dbraw/zinc/93/10/57/1035931057.db2.gz XCNHCKFECFLZNJ-PXAZEXFGSA-N 0 0 338.407 3.696 10 0 EHAERN COc1ccccc1/C=C/CN1CCn2c(C(C)C)nnc2[C@H]1C ZINC000188449299 1035939929 /nfs/dbraw/zinc/93/99/29/1035939929.db2.gz FRWKINYBGLCEQF-LOWQCSRCSA-N 0 0 326.444 3.500 10 0 EHAERN CC(C)c1nnc2n1CCN(Cc1cccc3c1OC(C)(C)C3)[C@@H]2C ZINC000188480603 1035942274 /nfs/dbraw/zinc/94/22/74/1035942274.db2.gz LKVDZBNSUIVFIZ-CQSZACIVSA-N 0 0 340.471 3.692 10 0 EHAERN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C3)c1C ZINC000188521894 1035946010 /nfs/dbraw/zinc/94/60/10/1035946010.db2.gz XFBWSKUOMZIOIC-IBGZPJMESA-N 0 0 334.419 3.775 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1ccc(F)cc1 ZINC000188566730 1035950694 /nfs/dbraw/zinc/95/06/94/1035950694.db2.gz UPUUFCHDJBEWKY-KRWDZBQOSA-N 0 0 328.387 3.799 10 0 EHAERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188568385 1035952191 /nfs/dbraw/zinc/95/21/91/1035952191.db2.gz WOPSIHNJRGFGHH-XIKOKIGWSA-N 0 0 338.382 3.544 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000189066096 1036011990 /nfs/dbraw/zinc/01/19/90/1036011990.db2.gz SMCKUZMCKJUNPP-QCEMKRCNSA-N 0 0 349.475 3.519 10 0 EHAERN Cc1cc(-c2ncccc2NC(=O)NC2CCC(O)CC2)cs1 ZINC000189173870 1036026919 /nfs/dbraw/zinc/02/69/19/1036026919.db2.gz BTEHIFCWGFVKJN-UHFFFAOYSA-N 0 0 331.441 3.544 10 0 EHAERN CCn1nccc1/C=C/C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189642949 1036105841 /nfs/dbraw/zinc/10/58/41/1036105841.db2.gz LDOSYNKHSLLMHO-IZPAUZPXSA-N 0 0 345.393 3.601 10 0 EHAERN COc1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)ccc1C ZINC000189824408 1036152363 /nfs/dbraw/zinc/15/23/63/1036152363.db2.gz ZGEUOPQKIQDKRF-UHFFFAOYSA-N 0 0 337.419 3.712 10 0 EHAERN O=C(Cc1ccc(Cl)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189852925 1036156925 /nfs/dbraw/zinc/15/69/25/1036156925.db2.gz VIUKNJUVALUHLF-UHFFFAOYSA-N 0 0 341.838 3.978 10 0 EHAERN O=C(/C=C/c1cccc(O)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189864588 1036159562 /nfs/dbraw/zinc/15/95/62/1036159562.db2.gz HWQVZGGQRZEPNU-CMDGGOBGSA-N 0 0 335.403 3.500 10 0 EHAERN Cc1noc([C@@H]2CCN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)C2)n1 ZINC000332799107 1036179827 /nfs/dbraw/zinc/17/98/27/1036179827.db2.gz UGHJZBNQVRSDDI-QEORTHHSSA-N 0 0 340.427 3.516 10 0 EHAERN O=C(c1coc2ccccc12)N1CCC(Nc2nccs2)CC1 ZINC000190380601 1036233475 /nfs/dbraw/zinc/23/34/75/1036233475.db2.gz PQUZLUWQVYYISG-UHFFFAOYSA-N 0 0 327.409 3.606 10 0 EHAERN Cc1cc(Cl)ccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190410664 1036235256 /nfs/dbraw/zinc/23/52/56/1036235256.db2.gz HHBCPYCYXLCWND-UHFFFAOYSA-N 0 0 335.860 3.822 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190434731 1036239797 /nfs/dbraw/zinc/23/97/97/1036239797.db2.gz YPVAYLOBOQHBQY-IRXDYDNUSA-N 0 0 341.480 3.658 10 0 EHAERN COc1ccccc1CCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190643582 1036271342 /nfs/dbraw/zinc/27/13/42/1036271342.db2.gz WLSYBWIVZDRWRU-KRWDZBQOSA-N 0 0 325.408 3.576 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1nc(C(C)C)cs1 ZINC000191140685 1036342595 /nfs/dbraw/zinc/34/25/95/1036342595.db2.gz BPRSCIDUOCRILI-AWEZNQCLSA-N 0 0 345.468 3.898 10 0 EHAERN Cc1ccc(CC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cn1 ZINC000191196454 1036344884 /nfs/dbraw/zinc/34/48/84/1036344884.db2.gz RSDTUVHMBWADBC-OAHLLOKOSA-N 0 0 330.378 3.617 10 0 EHAERN CCC1(O)CCN(C(=O)c2ccc(OC(C)C)cc2Cl)CC1 ZINC000457625765 1036353870 /nfs/dbraw/zinc/35/38/70/1036353870.db2.gz SVXHXBHRHDYHLQ-UHFFFAOYSA-N 0 0 325.836 3.504 10 0 EHAERN COCc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000192500730 1036513495 /nfs/dbraw/zinc/51/34/95/1036513495.db2.gz XETJAIFSYRQXNC-CQSZACIVSA-N 0 0 331.441 3.701 10 0 EHAERN CC(C)c1csc(NC(=O)NCC[C@H]2C(=O)Nc3ccccc32)n1 ZINC000192744837 1036545197 /nfs/dbraw/zinc/54/51/97/1036545197.db2.gz UMXMNFDFUASVLY-GFCCVEGCSA-N 0 0 344.440 3.514 10 0 EHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@H](c1ccccc1)C1CC1 ZINC000193244381 1036583635 /nfs/dbraw/zinc/58/36/35/1036583635.db2.gz QITWDSQMTXPNIS-IEBWSBKVSA-N 0 0 349.434 3.563 10 0 EHAERN CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000193293824 1036586952 /nfs/dbraw/zinc/58/69/52/1036586952.db2.gz AEINCQJVQFURJG-OALUTQOASA-N 0 0 342.414 3.879 10 0 EHAERN CCN(Cc1ccccc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102680147 1036769147 /nfs/dbraw/zinc/76/91/47/1036769147.db2.gz DNWWSECFTMYIFE-HNNXBMFYSA-N 0 0 326.440 3.927 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)c3cc(F)c(F)c(F)c3)c2)no1 ZINC000103001214 1036796953 /nfs/dbraw/zinc/79/69/53/1036796953.db2.gz GHPCFCJDZNQBIL-UHFFFAOYSA-N 0 0 333.269 3.715 10 0 EHAERN Cc1noc(C)c1[C@H](C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103127885 1036844673 /nfs/dbraw/zinc/84/46/73/1036844673.db2.gz CXXAVPAGQPUPIQ-LBPRGKRZSA-N 0 0 325.412 3.544 10 0 EHAERN CC(C)COCCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103177865 1036849029 /nfs/dbraw/zinc/84/90/29/1036849029.db2.gz OAYZXPKXDBSLLT-IBGZPJMESA-N 0 0 341.455 3.533 10 0 EHAERN Cc1ccc(CN(C)S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000104106721 1036996545 /nfs/dbraw/zinc/99/65/45/1036996545.db2.gz GAGVLUHUEZKIAB-UHFFFAOYSA-N 0 0 348.251 3.857 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000176567138 1037059877 /nfs/dbraw/zinc/05/98/77/1037059877.db2.gz GLJRZCYZFGYPBV-XNJGSVPQSA-N 0 0 348.418 3.555 10 0 EHAERN CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C)c1nc(C)cs1 ZINC000104760446 1037081559 /nfs/dbraw/zinc/08/15/59/1037081559.db2.gz LLIKJCQBAJGNJV-GFCCVEGCSA-N 0 0 344.889 3.843 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cccnc1OC(C)C ZINC000105004549 1037125304 /nfs/dbraw/zinc/12/53/04/1037125304.db2.gz PUNMGHRNVNLLJT-UHFFFAOYSA-N 0 0 342.443 3.750 10 0 EHAERN COc1cc(CN(C)Cc2nc(-c3ccoc3)no2)ccc1SC ZINC000105608683 1037204300 /nfs/dbraw/zinc/20/43/00/1037204300.db2.gz NWOPTFQOTLAWEH-UHFFFAOYSA-N 0 0 345.424 3.692 10 0 EHAERN CC(C)(C)c1noc(CCC(=O)N[C@H](c2ccccc2)C2CCC2)n1 ZINC000104422404 1037285216 /nfs/dbraw/zinc/28/52/16/1037285216.db2.gz XTIRGVDWKUIONY-GOSISDBHSA-N 0 0 341.455 3.957 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000104458210 1037294080 /nfs/dbraw/zinc/29/40/80/1037294080.db2.gz JHKVTVGQHZKKLO-UHFFFAOYSA-N 0 0 349.434 3.708 10 0 EHAERN CC(C)(C)OC(=O)N1CCc2cccc(NC3CCOCC3)c2C1 ZINC000302117331 1037588950 /nfs/dbraw/zinc/58/89/50/1037588950.db2.gz SCBOIJMWWRGBSC-UHFFFAOYSA-N 0 0 332.444 3.571 10 0 EHAERN O=C1NCCCC[C@@H]1SCc1csc(Cc2ccccc2)n1 ZINC000105628920 1037602751 /nfs/dbraw/zinc/60/27/51/1037602751.db2.gz OEDVBKKQXJNQJE-HNNXBMFYSA-N 0 0 332.494 3.636 10 0 EHAERN Cc1cc(N2CCC(Oc3ccccc3)CC2)nc(-c2ccncc2)n1 ZINC000112074150 1037749969 /nfs/dbraw/zinc/74/99/69/1037749969.db2.gz LHSSKTIDWIHCAR-UHFFFAOYSA-N 0 0 346.434 3.895 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000112606673 1037766442 /nfs/dbraw/zinc/76/64/42/1037766442.db2.gz UFJCTSVKFFWBQD-NSHDSACASA-N 0 0 334.366 3.857 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000112722858 1037769808 /nfs/dbraw/zinc/76/98/08/1037769808.db2.gz VBDHWQNMWBDWLM-DZGCQCFKSA-N 0 0 327.428 3.905 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000112747856 1037769830 /nfs/dbraw/zinc/76/98/30/1037769830.db2.gz QSDYQWRWPZBOIW-LBPRGKRZSA-N 0 0 331.391 3.511 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000114968055 1037815691 /nfs/dbraw/zinc/81/56/91/1037815691.db2.gz PFRDANVKLHAEOQ-ZDUSSCGKSA-N 0 0 326.444 3.641 10 0 EHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117586632 1037853903 /nfs/dbraw/zinc/85/39/03/1037853903.db2.gz RFYNLDVWVGNDSF-RNODOKPDSA-N 0 0 347.418 3.992 10 0 EHAERN COc1ccc([C@H](C)NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1F ZINC000117582586 1037854572 /nfs/dbraw/zinc/85/45/72/1037854572.db2.gz ICCXYUUQWGDJTB-FTLABTOESA-N 0 0 329.371 3.576 10 0 EHAERN CCOc1ncccc1CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000117958044 1037863475 /nfs/dbraw/zinc/86/34/75/1037863475.db2.gz QIWWEBLHWZLUEC-UHFFFAOYSA-N 0 0 343.452 3.541 10 0 EHAERN COC[C@H]1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000332705755 1037949451 /nfs/dbraw/zinc/94/94/51/1037949451.db2.gz ZKBQVGDDQUBXRF-RDJZCZTQSA-N 0 0 344.455 3.501 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(C)cc1)CCC2 ZINC000332720531 1037949630 /nfs/dbraw/zinc/94/96/30/1037949630.db2.gz YCPMKSFMUBYMMK-SJLPKXTDSA-N 0 0 340.471 3.780 10 0 EHAERN CCCNC(=O)c1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000123889015 1038094879 /nfs/dbraw/zinc/09/48/79/1038094879.db2.gz VVVNMVJMIQXEOM-UHFFFAOYSA-N 0 0 348.446 3.756 10 0 EHAERN CCc1ccc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247094530 1038204350 /nfs/dbraw/zinc/20/43/50/1038204350.db2.gz RURUKMNKHIVOBW-QSFXBCCZSA-N 0 0 330.472 3.647 10 0 EHAERN CC1(C)CCC(=CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000124609490 1038211916 /nfs/dbraw/zinc/21/19/16/1038211916.db2.gz USZIDAOCWZVWSH-FUHWJXTLSA-N 0 0 344.499 3.515 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000125519523 1038338717 /nfs/dbraw/zinc/33/87/17/1038338717.db2.gz QFYJVHPFVWHVSV-YOEHRIQHSA-N 0 0 332.444 3.897 10 0 EHAERN Cc1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1C ZINC000408398960 1038801351 /nfs/dbraw/zinc/80/13/51/1038801351.db2.gz DPIMJOJTBQUOCP-CYBMUJFWSA-N 0 0 333.823 3.834 10 0 EHAERN C[C@@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc2c(c1)CC(=O)N2 ZINC000245772539 1038836370 /nfs/dbraw/zinc/83/63/70/1038836370.db2.gz XMHHVTXLAFBJEI-XJKCOSOUSA-N 0 0 328.456 3.821 10 0 EHAERN CC(=O)N(Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1)C1CC1 ZINC000330225388 1039087873 /nfs/dbraw/zinc/08/78/73/1039087873.db2.gz BCMLVKHKHNIUKX-APWZRJJASA-N 0 0 341.455 3.604 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000332873143 1040168168 /nfs/dbraw/zinc/16/81/68/1040168168.db2.gz PQPQBZILTJDJLW-ZQDZILKHSA-N 0 0 348.409 3.612 10 0 EHAERN Cc1csc([C@H]2COCCN2c2nc(-c3ccccc3)ns2)n1 ZINC000189134154 1040178332 /nfs/dbraw/zinc/17/83/32/1040178332.db2.gz NIZGEBAEHGCJJG-CYBMUJFWSA-N 0 0 344.465 3.548 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000332958917 1040357410 /nfs/dbraw/zinc/35/74/10/1040357410.db2.gz RCIWOYHHLPXSMD-CZUORRHYSA-N 0 0 344.484 3.799 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cs1 ZINC000332958914 1040358774 /nfs/dbraw/zinc/35/87/74/1040358774.db2.gz RCIWOYHHLPXSMD-CJNGLKHVSA-N 0 0 344.484 3.799 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1csc(C(C)(C)C)n1 ZINC000408093735 1040873423 /nfs/dbraw/zinc/87/34/23/1040873423.db2.gz WTNHTAZDHKQSBP-CQSZACIVSA-N 0 0 346.500 3.768 10 0 EHAERN Cc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1C(N)=O ZINC000333040748 1041101358 /nfs/dbraw/zinc/10/13/58/1041101358.db2.gz AJHVBQDDOAYUBO-YGOSVGOTSA-N 0 0 327.428 3.778 10 0 EHAERN CC1(C)C[C@@H](NC(=O)N[C@H]2c3ccccc3CCC2(C)C)CCO1 ZINC000120771018 1041159140 /nfs/dbraw/zinc/15/91/40/1041159140.db2.gz ZADVUMNXAAJVEU-RDJZCZTQSA-N 0 0 330.472 3.957 10 0 EHAERN CCc1nc(C)c([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)s1 ZINC000162477193 1042731559 /nfs/dbraw/zinc/73/15/59/1042731559.db2.gz NQTVEQBMOSFBJW-WBMJQRKESA-N 0 0 341.484 3.881 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2cc(F)ccc2F)c2ccccc2)[nH]1 ZINC000162485852 1042734099 /nfs/dbraw/zinc/73/40/99/1042734099.db2.gz QFTCZILGYKQSAI-APPDUMDISA-N 0 0 328.366 3.832 10 0 EHAERN CC[C@@H](N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1OC ZINC000162622602 1042740329 /nfs/dbraw/zinc/74/03/29/1042740329.db2.gz HBIPQPZMYKAVSH-IEBWSBKVSA-N 0 0 336.439 3.952 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1cc2cccc(F)c2o1 ZINC000408287315 1042971072 /nfs/dbraw/zinc/97/10/72/1042971072.db2.gz QEUUEKLNLDBCAQ-KZULUSFZSA-N 0 0 334.391 3.579 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)c1cccs1 ZINC000111835772 1043761044 /nfs/dbraw/zinc/76/10/44/1043761044.db2.gz BHUPDTQZJZZVAC-HUUCEWRRSA-N 0 0 332.473 3.751 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1cccs1 ZINC000111835768 1043761607 /nfs/dbraw/zinc/76/16/07/1043761607.db2.gz BHUPDTQZJZZVAC-LSDHHAIUSA-N 0 0 332.473 3.751 10 0 EHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1nccs1)CCC2 ZINC000111859559 1043968413 /nfs/dbraw/zinc/96/84/13/1043968413.db2.gz AMQLWWZQXLKUHZ-SKDRFNHKSA-N 0 0 336.486 3.688 10 0 EHAERN C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(C)(C)C ZINC000112307782 1044599463 /nfs/dbraw/zinc/59/94/63/1044599463.db2.gz SVPSWKRHGFDJBO-ZANVPECISA-N 0 0 340.876 3.694 10 0 EHAERN CN(C[C@H]1CCCO1)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000102905496 1127780181 /nfs/dbraw/zinc/78/01/81/1127780181.db2.gz KWEVQXBUQIVPGM-LJQANCHMSA-N 0 0 340.423 3.799 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)s1 ZINC000268817652 1128702189 /nfs/dbraw/zinc/70/21/89/1128702189.db2.gz FXUAOYXMMMZAJJ-JOQOYGCGSA-N 0 0 336.501 3.763 10 0 EHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000269196830 1128740869 /nfs/dbraw/zinc/74/08/69/1128740869.db2.gz GSLYXDGCMDMPPJ-WBVHZDCISA-N 0 0 344.455 3.691 10 0 EHAERN Cc1cscc1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000272365478 1129474271 /nfs/dbraw/zinc/47/42/71/1129474271.db2.gz QOBGURVJWDLIPO-AWEZNQCLSA-N 0 0 345.472 3.743 10 0 EHAERN Cc1csc([C@@H]2COCCN2C(=O)C=C2CCC(C)(C)CC2)n1 ZINC000188660506 1132142854 /nfs/dbraw/zinc/14/28/54/1132142854.db2.gz PFHZYBQJBDAZKL-HNNXBMFYSA-N 0 0 334.485 3.878 10 0 EHAERN O=C(Nc1ccccc1C(=O)Nc1ccc(F)cn1)c1ccccc1 ZINC000103072175 1132643100 /nfs/dbraw/zinc/64/31/00/1132643100.db2.gz IAZXQYSFTBYOOQ-UHFFFAOYSA-N 0 0 335.338 3.725 10 0 EHAERN COCCn1c(C)c(C)c2cc(C(=O)OCC(F)(F)F)ccc21 ZINC000103220518 1132755751 /nfs/dbraw/zinc/75/57/51/1132755751.db2.gz QYUDASVRUHLLNI-UHFFFAOYSA-N 0 0 329.318 3.624 10 0 EHAERN CCCCS[C@H](C)C(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000103818973 1133599814 /nfs/dbraw/zinc/59/98/14/1133599814.db2.gz LKENYGRIQTUIIT-OAHLLOKOSA-N 0 0 349.500 3.744 10 0 EHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc(Cl)cc1F ZINC000103565948 1134767650 /nfs/dbraw/zinc/76/76/50/1134767650.db2.gz PIEZASKNVSCIIP-UHFFFAOYSA-N 0 0 345.802 3.515 10 0 EHAERN CCc1cccc(OC(=O)CCN(Cc2ccccc2)C(C)=O)c1 ZINC000102117044 1135454255 /nfs/dbraw/zinc/45/42/55/1135454255.db2.gz KUGLJABEOMBFPA-UHFFFAOYSA-N 0 0 325.408 3.593 10 0 EHAERN CCC[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 ZINC000105765467 1135975432 /nfs/dbraw/zinc/97/54/32/1135975432.db2.gz CGTSOWKALVYBHM-ROUUACIJSA-N 0 0 329.440 3.720 10 0 EHAERN O=C(Cn1ccc(=O)c2ccccc21)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103670554 1137469700 /nfs/dbraw/zinc/46/97/00/1137469700.db2.gz ZOCOHCVOKHUDJT-BRWVUGGUSA-N 0 0 339.435 3.904 10 0 EHAERN CCN(C)C(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000103734225 1137876895 /nfs/dbraw/zinc/87/68/95/1137876895.db2.gz GLDYBJUYFABQSU-ZDUSSCGKSA-N 0 0 344.842 3.923 10 0 EHAERN C[C@@H](NC(=O)Nc1ccnn1[C@@H](C)C1CC1)c1nc2ccccc2[nH]1 ZINC000105777399 1137882014 /nfs/dbraw/zinc/88/20/14/1137882014.db2.gz FAUXLENHDIVUNN-NEPJUHHUSA-N 0 0 338.415 3.613 10 0 EHAERN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)c2nccn21 ZINC000333215207 1137958356 /nfs/dbraw/zinc/95/83/56/1137958356.db2.gz KXCGVGFLSPWZCE-KBRIMQKVSA-N 0 0 338.455 3.902 10 0 EHAERN CC(C)(C)C(=O)c1ccc(NC(=O)N2CC[C@@H](O)CC23CCC3)cc1 ZINC000333602382 1138309979 /nfs/dbraw/zinc/30/99/79/1138309979.db2.gz WQDBBLNPFRASEX-MRXNPFEDSA-N 0 0 344.455 3.827 10 0 EHAERN CCOc1cccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000186208686 1140192341 /nfs/dbraw/zinc/19/23/41/1140192341.db2.gz XXPHQRQIOGRVHF-KRWDZBQOSA-N 0 0 345.468 3.897 10 0 EHAERN CCOc1ccccc1OCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187058995 1140235951 /nfs/dbraw/zinc/23/59/51/1140235951.db2.gz AFIWAJOAUDPOFN-HNNXBMFYSA-N 0 0 346.452 3.593 10 0 EHAERN Cc1coc2ccc(NC(=O)N3CCCC[C@H]3c3nc[nH]n3)cc12 ZINC000188004016 1140279509 /nfs/dbraw/zinc/27/95/09/1140279509.db2.gz HFJCWAXTKUPZID-AWEZNQCLSA-N 0 0 325.372 3.618 10 0 EHAERN CN(CC1CC(O)C1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000189367142 1140339098 /nfs/dbraw/zinc/33/90/98/1140339098.db2.gz PENKWUZYZYIMNB-UHFFFAOYSA-N 0 0 347.499 3.830 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)cs1 ZINC000189751934 1140362666 /nfs/dbraw/zinc/36/26/66/1140362666.db2.gz ZFRBSLLLXLXKAV-INIZCTEOSA-N 0 0 349.887 3.558 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cs1 ZINC000189794787 1140363888 /nfs/dbraw/zinc/36/38/88/1140363888.db2.gz NNZSSNPBGOULML-HNNXBMFYSA-N 0 0 326.425 3.839 10 0 EHAERN COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Cl)c1 ZINC000054618850 214246122 /nfs/dbraw/zinc/24/61/22/214246122.db2.gz GFBKPZYODOUUQE-UHFFFAOYSA-N 0 0 333.771 3.592 10 0 EHAERN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CC(C)C)c(Br)c1 ZINC000055482638 214325550 /nfs/dbraw/zinc/32/55/50/214325550.db2.gz XJLSCFYRQYIUOY-LBPRGKRZSA-N 0 0 348.306 3.813 10 0 EHAERN CO[C@H]1CCN(c2ccc(NC(=O)/C=C\c3cccs3)cc2)C1 ZINC000101322828 219122711 /nfs/dbraw/zinc/12/27/11/219122711.db2.gz QWQFEYVSUQLQMG-QWGSZXSUSA-N 0 0 328.437 3.625 10 0 EHAERN CCOC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000041512697 213450963 /nfs/dbraw/zinc/45/09/63/213450963.db2.gz YNJFZBLWUYTULK-UHFFFAOYSA-N 0 0 327.355 3.673 10 0 EHAERN Cc1ccc(-c2cn3c4ccc(S(C)(=O)=O)cc4sc3n2)cc1 ZINC000040964721 213404504 /nfs/dbraw/zinc/40/45/04/213404504.db2.gz DMNSOJGCNGWUCR-UHFFFAOYSA-N 0 0 342.445 3.928 10 0 EHAERN COc1cc(F)c([C@H](O)c2sccc2Br)cc1OC ZINC000104292729 219371105 /nfs/dbraw/zinc/37/11/05/219371105.db2.gz IKYDMLPEYOFRMS-LBPRGKRZSA-N 0 0 347.205 3.749 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)nc1 ZINC000040798849 213388922 /nfs/dbraw/zinc/38/89/22/213388922.db2.gz BMXKHZCHUKQJMT-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN Cc1ccc(Sc2ncnc(-n3cnc4ccccc43)c2N)cc1 ZINC000040783456 213387358 /nfs/dbraw/zinc/38/73/58/213387358.db2.gz QIVYOVQNUJGVPI-UHFFFAOYSA-N 0 0 333.420 3.857 10 0 EHAERN Nc1c(Nc2cccc3ncccc32)ncnc1N1CCCCCC1 ZINC000040725628 213376427 /nfs/dbraw/zinc/37/64/27/213376427.db2.gz DPRXVZBWDVJVOL-UHFFFAOYSA-N 0 0 334.427 3.731 10 0 EHAERN Cc1ccnc(Nc2ncnc(Oc3cccc4cccnc43)c2N)c1 ZINC000040701293 213372455 /nfs/dbraw/zinc/37/24/55/213372455.db2.gz CYWVKVSVEGKMLA-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3cccc(Cl)c3C)c2N)n1 ZINC000040701686 213372320 /nfs/dbraw/zinc/37/23/20/213372320.db2.gz NOEXWVOLRLSOSH-UHFFFAOYSA-N 0 0 328.807 3.567 10 0 EHAERN COc1cccc(Nc2ncnc(N3CCc4ccccc43)c2N)c1 ZINC000040687254 213369922 /nfs/dbraw/zinc/36/99/22/213369922.db2.gz QHGMCQAIUMEIJH-UHFFFAOYSA-N 0 0 333.395 3.505 10 0 EHAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2cccnc2)c1N ZINC000040702380 213371420 /nfs/dbraw/zinc/37/14/20/213371420.db2.gz AXHUJAFSPBCCFG-UHFFFAOYSA-N 0 0 342.790 3.603 10 0 EHAERN COC(=O)Cn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000040249673 213285166 /nfs/dbraw/zinc/28/51/66/213285166.db2.gz QFPGTGJBYVMOFD-UHFFFAOYSA-N 0 0 345.196 3.639 10 0 EHAERN COCc1nc2ccccc2n1CCCOc1ccc(OC)cc1 ZINC000040232066 213284107 /nfs/dbraw/zinc/28/41/07/213284107.db2.gz NWHAKBVBTMYGIO-UHFFFAOYSA-N 0 0 326.396 3.660 10 0 EHAERN COC(=O)c1cccc(Nc2ccnc3c(OC)ccc(OC)c23)c1 ZINC000040175628 213279898 /nfs/dbraw/zinc/27/98/98/213279898.db2.gz ZZIJYNBGSDYSCQ-UHFFFAOYSA-N 0 0 338.363 3.782 10 0 EHAERN CCCCCn1c(CCNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184591 213280993 /nfs/dbraw/zinc/28/09/93/213280993.db2.gz JOQWZFKDMDHUEY-UHFFFAOYSA-N 0 0 336.439 3.594 10 0 EHAERN Cc1cccc2c1N(Cc1ccc(Br)cc1F)C(=O)C2=O ZINC000039434586 213236902 /nfs/dbraw/zinc/23/69/02/213236902.db2.gz NTLLFMBENKXEEF-UHFFFAOYSA-N 0 0 348.171 3.626 10 0 EHAERN COc1cccc(OC)c1C(=O)Nc1nnc(-c2cccs2)s1 ZINC000001356277 209730018 /nfs/dbraw/zinc/73/00/18/209730018.db2.gz LFAHWVNNGABFOH-UHFFFAOYSA-N 0 0 347.421 3.536 10 0 EHAERN CCOC(=O)[C@@H](N[C@@H](C)CC)c1ccc(Br)cc1F ZINC000038067961 213199729 /nfs/dbraw/zinc/19/97/29/213199729.db2.gz MHRVXMLEMBJXTQ-ZANVPECISA-N 0 0 332.213 3.581 10 0 EHAERN NC(=O)C1(Nc2cccc(Br)c2)CCCCCCC1 ZINC000037944508 213175151 /nfs/dbraw/zinc/17/51/51/213175151.db2.gz PSWUGFSAAILZTO-UHFFFAOYSA-N 0 0 325.250 3.829 10 0 EHAERN COc1cc(-c2nc(C)c(C)c(Cl)n2)cc(Br)c1O ZINC000037947902 213176373 /nfs/dbraw/zinc/17/63/73/213176373.db2.gz XAZGAIYIPPMIHV-UHFFFAOYSA-N 0 0 343.608 3.891 10 0 EHAERN Nc1cc(NC(=O)c2ccc(Br)cc2)c(F)cc1F ZINC000036738914 213115059 /nfs/dbraw/zinc/11/50/59/213115059.db2.gz GGTNNESBRJWCHH-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN O=C(NC1CC1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000035502523 213034048 /nfs/dbraw/zinc/03/40/48/213034048.db2.gz XOQZRQRKSHPPRT-UHFFFAOYSA-N 0 0 348.381 3.919 10 0 EHAERN Cc1nc2cccnc2n1-c1cccc(C(=O)NCc2ccco2)c1C ZINC000032932068 212877345 /nfs/dbraw/zinc/87/73/45/212877345.db2.gz PCDHXKGNRALMME-UHFFFAOYSA-N 0 0 346.390 3.560 10 0 EHAERN CC(C)n1cc(C(=O)Nc2ccncc2)c(=O)c2cc(Cl)ccc21 ZINC000032607949 212816381 /nfs/dbraw/zinc/81/63/81/212816381.db2.gz AVDUMSMSHQGGBH-UHFFFAOYSA-N 0 0 341.798 3.883 10 0 EHAERN CCOCCCNc1nc(-c2cccnc2)nc2sc(C)cc21 ZINC000072260787 216086390 /nfs/dbraw/zinc/08/63/90/216086390.db2.gz UQPYISXFLUCZGY-UHFFFAOYSA-N 0 0 328.441 3.900 10 0 EHAERN Cc1ccc([C@@H](C)N(C)C(=O)c2cc(Br)cn2C)s1 ZINC000037845920 213170096 /nfs/dbraw/zinc/17/00/96/213170096.db2.gz ZJSPHXQXJATDRK-SNVBAGLBSA-N 0 0 341.274 3.991 10 0 EHAERN CC(=O)N[C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1Cl ZINC000000051822 209390099 /nfs/dbraw/zinc/39/00/99/209390099.db2.gz WONMTAHPQOUZSL-HNNXBMFYSA-N 0 0 337.206 3.809 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4ccco4)c3c(=O)[nH]2)cc1C ZINC000072441039 216235488 /nfs/dbraw/zinc/23/54/88/216235488.db2.gz DOCANCCOVJYREQ-UHFFFAOYSA-N 0 0 332.363 3.939 10 0 EHAERN Cc1nc(N2CCC(C)CC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072465004 216246957 /nfs/dbraw/zinc/24/69/57/216246957.db2.gz BLVGNGMKPXKJLF-UHFFFAOYSA-N 0 0 344.846 3.927 10 0 EHAERN Cc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1 ZINC000072466307 216247583 /nfs/dbraw/zinc/24/75/83/216247583.db2.gz UAAWIIZQHBBMQX-UHFFFAOYSA-N 0 0 345.406 3.592 10 0 EHAERN Cc1ncc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2)o1 ZINC000021032129 212201702 /nfs/dbraw/zinc/20/17/02/212201702.db2.gz NXVHMJNIMGIVJG-UHFFFAOYSA-N 0 0 334.441 3.507 10 0 EHAERN COc1cccc([C@H](CC(=O)Nc2nc(C)cs2)n2cccc2)c1 ZINC000020998308 212198007 /nfs/dbraw/zinc/19/80/07/212198007.db2.gz NGTYHSZZGSGOGC-INIZCTEOSA-N 0 0 341.436 3.880 10 0 EHAERN Cc1cc(OCC(=O)NC(C)(C)C)c(C)c(C)c1Br ZINC000020344516 212121451 /nfs/dbraw/zinc/12/14/51/212121451.db2.gz SMKYJVFUXAIDBG-UHFFFAOYSA-N 0 0 328.250 3.668 10 0 EHAERN COc1ccc(CCC(=O)Nc2cc(N)ccc2Cl)cc1OC ZINC000020344604 212121412 /nfs/dbraw/zinc/12/14/12/212121412.db2.gz YNVUGJPOKIAJPD-UHFFFAOYSA-N 0 0 334.803 3.511 10 0 EHAERN Cc1cc(Br)ccc1NCc1ccc(C(N)=O)cc1F ZINC000020042989 212097498 /nfs/dbraw/zinc/09/74/98/212097498.db2.gz VXQOWMIXXCZLDU-UHFFFAOYSA-N 0 0 337.192 3.608 10 0 EHAERN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(F)cc1Br ZINC000019966984 212091240 /nfs/dbraw/zinc/09/12/40/212091240.db2.gz CHTDZLHNEGAAGY-UHFFFAOYSA-N 0 0 348.171 3.626 10 0 EHAERN Nc1cc2c(cc1Oc1ccc(F)cc1Br)OCCO2 ZINC000019868967 212077031 /nfs/dbraw/zinc/07/70/31/212077031.db2.gz ZJLXLCYGOWHFEA-UHFFFAOYSA-N 0 0 340.148 3.734 10 0 EHAERN Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000019436963 212027984 /nfs/dbraw/zinc/02/79/84/212027984.db2.gz DTWMLTYCMQZYIM-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN CCOC(=O)c1cnc2c(F)cc(Br)cc2c1Cl ZINC000019424765 212027440 /nfs/dbraw/zinc/02/74/40/212027440.db2.gz VOUDLZUZNYULMN-UHFFFAOYSA-N 0 0 332.556 3.967 10 0 EHAERN COc1ccc(Br)cc1NC(=O)OCC(F)(F)F ZINC000049571720 214020489 /nfs/dbraw/zinc/02/04/89/214020489.db2.gz KLCSETWUYAQAKP-UHFFFAOYSA-N 0 0 328.084 3.569 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O ZINC000079034716 217178398 /nfs/dbraw/zinc/17/83/98/217178398.db2.gz IOUTZZNYNOHZOR-HXUWFJFHSA-N 0 0 344.455 3.579 10 0 EHAERN C[C@H](NC(=O)N(C)Cc1nccn1C(F)F)c1ccc(Cl)s1 ZINC000079335965 217210819 /nfs/dbraw/zinc/21/08/19/217210819.db2.gz BJURUVJSRRWNHK-QMMMGPOBSA-N 0 0 348.806 3.896 10 0 EHAERN CN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12 ZINC000013779927 211637246 /nfs/dbraw/zinc/63/72/46/211637246.db2.gz PBHFNBQPZCRWQP-UYAOXDASSA-N 0 0 337.423 3.667 10 0 EHAERN CCOC(=O)c1nc2c(C(F)(F)F)cc(Cl)cn2c1Cl ZINC000091691563 218048599 /nfs/dbraw/zinc/04/85/99/218048599.db2.gz JGMXLLNAAXMKHJ-UHFFFAOYSA-N 0 0 327.089 3.837 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000095080626 218275075 /nfs/dbraw/zinc/27/50/75/218275075.db2.gz TYPDEPPVNIUNBU-MRXNPFEDSA-N 0 0 348.443 3.702 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](COCc2cnc(Cl)s2)C1 ZINC000095084171 218275706 /nfs/dbraw/zinc/27/57/06/218275706.db2.gz BQUJEBRHNZJUPG-SNVBAGLBSA-N 0 0 332.853 3.570 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](COCc2cnc(Cl)s2)C1 ZINC000095084170 218275746 /nfs/dbraw/zinc/27/57/46/218275746.db2.gz BQUJEBRHNZJUPG-JTQLQIEISA-N 0 0 332.853 3.570 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3ccccc3[nH]2)C1 ZINC000095085414 218276456 /nfs/dbraw/zinc/27/64/56/218276456.db2.gz OUWZRMYVTJXDOR-ZDUSSCGKSA-N 0 0 331.416 3.589 10 0 EHAERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)c1ccsc1 ZINC000095074950 218272556 /nfs/dbraw/zinc/27/25/56/218272556.db2.gz YBNUDNAJXSRMDM-AWEZNQCLSA-N 0 0 338.473 3.610 10 0 EHAERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2s1 ZINC000095075472 218272601 /nfs/dbraw/zinc/27/26/01/218272601.db2.gz VMETUUZOSQBQGF-ZDUSSCGKSA-N 0 0 347.484 3.990 10 0 EHAERN C[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccccc1Br ZINC000008088563 210892922 /nfs/dbraw/zinc/89/29/22/210892922.db2.gz YWIKKCKQKOBZLV-SECBINFHSA-N 0 0 339.620 3.989 10 0 EHAERN Nc1ccc2c(c1)N(C(=O)c1cccc(Br)c1)CCS2 ZINC000038051262 132396388 /nfs/dbraw/zinc/39/63/88/132396388.db2.gz VVZJFXJWRVLIQK-UHFFFAOYSA-N 0 0 349.253 3.784 10 0 EHAERN O=C(OCc1nccn1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000000169778 563250595 /nfs/dbraw/zinc/25/05/95/563250595.db2.gz GABAFPIXQRSULS-UHFFFAOYSA-N 0 0 326.783 3.942 10 0 EHAERN C[C@@H](Nc1ccccc1I)c1nccs1 ZINC000083142614 563973333 /nfs/dbraw/zinc/97/33/33/563973333.db2.gz LUTZGEOGZIJIFF-MRVPVSSYSA-N 0 0 330.194 3.921 10 0 EHAERN COC(=O)[C@@]12C=C[C@H](O)[C@H]3[C@@]1(C2)CC[C@@H](C)[C@]3(C)CCc1ccoc1 ZINC000085659710 564023959 /nfs/dbraw/zinc/02/39/59/564023959.db2.gz SMHNYOMQXSRPAD-OWHLRFHBSA-N 0 0 344.451 3.745 10 0 biogenic EHAERN COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c(Cl)c1O ZINC000048534576 564031837 /nfs/dbraw/zinc/03/18/37/564031837.db2.gz OQBVNDVDDBOMBG-OAHLLOKOSA-N 0 0 344.798 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)c3cc(F)ccc3O2)C1 ZINC000536953501 564091737 /nfs/dbraw/zinc/09/17/37/564091737.db2.gz IEFJMUZAUFAWRE-SFHVURJKSA-N 0 0 335.375 3.561 10 0 EHAERN O=C(C1CCCC1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168576 564102165 /nfs/dbraw/zinc/10/21/65/564102165.db2.gz VFIJYACLFXDRQB-UHFFFAOYSA-N 0 0 341.842 3.872 10 0 EHAERN CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C ZINC000685961638 564177189 /nfs/dbraw/zinc/17/71/89/564177189.db2.gz MNVNMOCDADQALO-INIZCTEOSA-N 0 0 348.487 3.627 10 0 EHAERN CCCC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685962102 564177227 /nfs/dbraw/zinc/17/72/27/564177227.db2.gz UMIXXVWGASKUEK-YOEHRIQHSA-N 0 0 335.444 3.854 10 0 EHAERN CSCCCCCCNC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000182203886 1032076290 /nfs/dbraw/zinc/07/62/90/1032076290.db2.gz OENWZUHHMIACPB-QGZVFWFLSA-N 0 0 335.517 3.806 10 0 EHAERN O=C([O-])c1cc(C[NH2+]Cc2cc(Br)ccc2F)cs1 ZINC000701773987 977038179 /nfs/dbraw/zinc/03/81/79/977038179.db2.gz CQQHUSCVFCCKEH-UHFFFAOYSA-N 0 0 344.205 3.638 10 0 EHAERN C[N@H+](Cc1cc(C(=O)[O-])cs1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000711418279 977546152 /nfs/dbraw/zinc/54/61/52/977546152.db2.gz VONOVYRBJLIFFF-KRWDZBQOSA-N 0 0 344.480 3.543 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175864917 1015048138 /nfs/dbraw/zinc/04/81/38/1015048138.db2.gz WZFCCVMAKKCQAW-RDJZCZTQSA-N 0 0 332.492 3.520 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cn(C(C)(C)C)nc3C)CC2)n1 ZINC000182600368 1032112849 /nfs/dbraw/zinc/11/28/49/1032112849.db2.gz CUJHWTRLXWRGQA-UHFFFAOYSA-N 0 0 346.500 3.731 10 0 EHAERN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000246010758 1015715266 /nfs/dbraw/zinc/71/52/66/1015715266.db2.gz YGOLDUOJBOSSLF-DTJGQCLQSA-N 0 0 338.398 3.673 10 0 EHAERN Cc1ccc(OC2CCN([C@H](C)c3nc(C(C)C)no3)CC2)nc1 ZINC000182850617 1032143771 /nfs/dbraw/zinc/14/37/71/1032143771.db2.gz SPBBXOZNNSKXEN-CQSZACIVSA-N 0 0 330.432 3.501 10 0 EHAERN C[C@@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C(C)(C)C1 ZINC000407963610 1016525093 /nfs/dbraw/zinc/52/50/93/1016525093.db2.gz PVINMVGFRLGSGI-NSHDSACASA-N 0 0 337.851 3.694 10 0 EHAERN O=C(c1ccc(Cl)c2ncccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000407978597 1016665015 /nfs/dbraw/zinc/66/50/15/1016665015.db2.gz AZRACGYZAUTHMV-DJJJIMSYSA-N 0 0 344.842 3.655 10 0 EHAERN COc1ccc(C=C(C)C(=O)Nc2ncc(C(C)=O)s2)cc1F ZINC000588438766 1016733489 /nfs/dbraw/zinc/73/34/89/1016733489.db2.gz MOMZRPONVSQRQC-TWGQIWQCSA-N 0 0 334.372 3.535 10 0 EHAERN O=C(Nc1ncc(C(F)(F)F)s1)c1ccc2c(n1)CCCC2 ZINC000330017133 1016831124 /nfs/dbraw/zinc/83/11/24/1016831124.db2.gz QPTGQIAHIRVYHL-UHFFFAOYSA-N 0 0 327.331 3.688 10 0 EHAERN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180492368 1016899342 /nfs/dbraw/zinc/89/93/42/1016899342.db2.gz BKXMPPFWXMGJFJ-GDBMZVCRSA-N 0 0 345.487 3.628 10 0 EHAERN CCC[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000183065517 1032159319 /nfs/dbraw/zinc/15/93/19/1032159319.db2.gz OIOHZRZHOZCEBN-INIZCTEOSA-N 0 0 348.512 3.782 10 0 EHAERN C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccncc1 ZINC000184373858 1032288434 /nfs/dbraw/zinc/28/84/34/1032288434.db2.gz UOQQUKWUFQDMSQ-GUYCJALGSA-N 0 0 345.830 3.579 10 0 EHAERN COc1ccc(C[C@@H](C)Nc2cccc3c2OCC[C@@H]3O)cc1OC ZINC000184572328 1032297020 /nfs/dbraw/zinc/29/70/20/1032297020.db2.gz DTIHXLWFOLETOJ-DYVFJYSZSA-N 0 0 343.423 3.563 10 0 EHAERN CCCC[C@@H](CC)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185506231 1032436691 /nfs/dbraw/zinc/43/66/91/1032436691.db2.gz OTVTWCMEQAXPCQ-BEFAXECRSA-N 0 0 348.462 3.952 10 0 EHAERN C[C@@H]1CC(=O)Oc2cc(OC(=O)/C=C\c3ccnc(Cl)c3)ccc21 ZINC000588602099 1032494580 /nfs/dbraw/zinc/49/45/80/1032494580.db2.gz UBXRYDRFCAUSSI-SRMRHOMVSA-N 0 0 343.766 3.766 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1noc2c1CCCC2 ZINC000330085705 1017624615 /nfs/dbraw/zinc/62/46/15/1017624615.db2.gz DADMZORTGSNYQQ-CMPLNLGQSA-N 0 0 330.350 3.652 10 0 EHAERN CC1(C)CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000112734915 1018010265 /nfs/dbraw/zinc/01/02/65/1018010265.db2.gz YMOXRDXPAVEUAT-UHFFFAOYSA-N 0 0 329.444 3.577 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1N1CCCC1=O ZINC000246399730 1018328410 /nfs/dbraw/zinc/32/84/10/1018328410.db2.gz JISYCJDIOYXPOI-HLLBOEOZSA-N 0 0 341.455 3.998 10 0 EHAERN C[C@H]1CCCC[C@H]1c1noc(C2CN(C(=O)C3CCCCC3)C2)n1 ZINC000333373869 1019425836 /nfs/dbraw/zinc/42/58/36/1019425836.db2.gz AATAVHUIBUZHPF-XJKSGUPXSA-N 0 0 331.460 3.869 10 0 EHAERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccoc1C(F)(F)F ZINC000291771406 1019650781 /nfs/dbraw/zinc/65/07/81/1019650781.db2.gz BTJKEIBTPGSYGN-IOASZLSFSA-N 0 0 345.361 3.844 10 0 EHAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)s1 ZINC000093139774 1020879026 /nfs/dbraw/zinc/87/90/26/1020879026.db2.gz KMJDPZSKFYOYKH-ZNIXKSQXSA-N 0 0 340.876 3.719 10 0 EHAERN CC1(C)Cc2ccc(C(=O)N3CCC[C@H]3c3ccco3)c(O)c2O1 ZINC000094152838 1032955732 /nfs/dbraw/zinc/95/57/32/1032955732.db2.gz WFFHYXMJJAOBNK-AWEZNQCLSA-N 0 0 327.380 3.676 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000246487202 1021125625 /nfs/dbraw/zinc/12/56/25/1021125625.db2.gz RJBFHWFXQIMFMM-IJLUTSLNSA-N 0 0 330.354 3.630 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000246489953 1021128566 /nfs/dbraw/zinc/12/85/66/1021128566.db2.gz IFVSGFBEJSJUFZ-UGUYLWEFSA-N 0 0 345.491 3.599 10 0 EHAERN CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000246523073 1021211719 /nfs/dbraw/zinc/21/17/19/1021211719.db2.gz KUMHBJIGTIPFHB-JQHSSLGASA-N 0 0 330.472 3.503 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CCCc3c(cnn3C)C2)c2ccccc21 ZINC000334043004 1021899544 /nfs/dbraw/zinc/89/95/44/1021899544.db2.gz OYRZIOMUCYXZQV-KDOFPFPSSA-N 0 0 338.455 3.517 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)CC/C=C/c1ccccc1 ZINC000588434133 1022115711 /nfs/dbraw/zinc/11/57/11/1022115711.db2.gz WEBUSOFUJOJBBW-QLNUPNCESA-N 0 0 344.455 3.677 10 0 EHAERN CC(=O)Nc1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)ccc1C ZINC000333781917 1022136010 /nfs/dbraw/zinc/13/60/10/1022136010.db2.gz BUEDKMNPGLWVFI-RPWFAHAXSA-N 0 0 341.455 3.853 10 0 EHAERN CCC[C@@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588434521 1022180110 /nfs/dbraw/zinc/18/01/10/1022180110.db2.gz MTBFLICZONVHHM-DOOKAGJSSA-N 0 0 346.471 3.767 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)CCc2cccc(F)c2)[nH]1 ZINC000328742055 1022478290 /nfs/dbraw/zinc/47/82/90/1022478290.db2.gz NTVAVQXSRMFAOT-DYVFJYSZSA-N 0 0 344.434 3.575 10 0 EHAERN CCO[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C[C@H]1C ZINC000333873842 1022707186 /nfs/dbraw/zinc/70/71/86/1022707186.db2.gz SKXZIQJJRDTHDN-KUHUBIRLSA-N 0 0 344.455 3.875 10 0 EHAERN COc1ccc(CNC(=O)C2CCCCCC2)cc1OC(F)F ZINC000101814067 1022739994 /nfs/dbraw/zinc/73/99/94/1022739994.db2.gz AONSDOYOJZUSSH-UHFFFAOYSA-N 0 0 327.371 3.883 10 0 EHAERN CCCOc1ccc(COC(=O)/C=C\c2ncccc2C)cc1OC ZINC000588451489 1023007985 /nfs/dbraw/zinc/00/79/85/1023007985.db2.gz POJXCAXKZPWZIC-NTMALXAHSA-N 0 0 341.407 3.944 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCOc1ccc2ccccc2c1 ZINC000588452085 1023022262 /nfs/dbraw/zinc/02/22/62/1023022262.db2.gz BOALOQPDROGUTB-KHPPLWFESA-N 0 0 332.403 3.752 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000080740202 1023280622 /nfs/dbraw/zinc/28/06/22/1023280622.db2.gz RGZAQGPYEPXTLS-UKRRQHHQSA-N 0 0 348.834 3.851 10 0 EHAERN CC(C)Cn1ncc2cc(C(=O)N3CC[C@@H](C)C[C@H](C)C3)cnc21 ZINC000158619255 1033129855 /nfs/dbraw/zinc/12/98/55/1033129855.db2.gz UCJLYBDAVNBUFN-CABCVRRESA-N 0 0 328.460 3.596 10 0 EHAERN CC(C)Cn1ncc2cc(C(=O)N3CC[C@H](C)C[C@@H](C)C3)cnc21 ZINC000158619117 1033130357 /nfs/dbraw/zinc/13/03/57/1033130357.db2.gz UCJLYBDAVNBUFN-LSDHHAIUSA-N 0 0 328.460 3.596 10 0 EHAERN CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000150798297 1023935960 /nfs/dbraw/zinc/93/59/60/1023935960.db2.gz GANDJBKUEQVSCE-LUQKVYGDSA-N 0 0 340.467 3.566 10 0 EHAERN CC(C)(C)c1ccc(=O)n(Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000150983879 1023998102 /nfs/dbraw/zinc/99/81/02/1023998102.db2.gz MJQIOQQZTCDBOP-UHFFFAOYSA-N 0 0 343.814 3.898 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)cn1 ZINC000093263759 1024093704 /nfs/dbraw/zinc/09/37/04/1024093704.db2.gz GCVNSNHDMYZBCM-MRXNPFEDSA-N 0 0 330.407 3.976 10 0 EHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183419170 1024229372 /nfs/dbraw/zinc/22/93/72/1024229372.db2.gz CPYGSVNTMWBPRN-QZTJIDSGSA-N 0 0 342.418 3.863 10 0 EHAERN FC(F)(F)c1csc(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000151754160 1024544989 /nfs/dbraw/zinc/54/49/89/1024544989.db2.gz SNLXEMSRLPZXLT-VIFPVBQESA-N 0 0 333.404 3.998 10 0 EHAERN COc1cccc([C@H](C)CC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000151795883 1024664838 /nfs/dbraw/zinc/66/48/38/1024664838.db2.gz MFLMXSGYKMWINB-AUUYWEPGSA-N 0 0 343.423 3.690 10 0 EHAERN CC[C@@H](C(=O)N1CCC(NC(=O)C(F)=C(C)C)CC1)c1ccccc1 ZINC000151840639 1024798261 /nfs/dbraw/zinc/79/82/61/1024798261.db2.gz GMUYKBGYWSRXKX-QGZVFWFLSA-N 0 0 346.446 3.551 10 0 EHAERN CCc1nc(CCNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cs1 ZINC000102450292 1025386690 /nfs/dbraw/zinc/38/66/90/1025386690.db2.gz QWERFNBAMVTBML-OAHLLOKOSA-N 0 0 349.887 3.888 10 0 EHAERN C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000102905668 1025539911 /nfs/dbraw/zinc/53/99/11/1025539911.db2.gz IFIKRAHQAQYZKB-RYUDHWBXSA-N 0 0 345.270 3.917 10 0 EHAERN COc1cccc(-c2nsc(NC(=O)c3ccc(F)c(F)c3)n2)c1 ZINC000102910971 1025556444 /nfs/dbraw/zinc/55/64/44/1025556444.db2.gz OKBZWGZOMHIDIQ-UHFFFAOYSA-N 0 0 347.346 3.744 10 0 EHAERN COc1ccccc1[C@H]1CCC[C@@H](C)N1Cc1nnnn1C(C)(C)C ZINC000329071952 1025588078 /nfs/dbraw/zinc/58/80/78/1025588078.db2.gz NYXORWGOBHZUQU-GDBMZVCRSA-N 0 0 343.475 3.552 10 0 EHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H]2C2CCC2)n1 ZINC000119737648 1025816712 /nfs/dbraw/zinc/81/67/12/1025816712.db2.gz JSKIEBRWJBXGOD-CQSZACIVSA-N 0 0 325.403 3.881 10 0 EHAERN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 ZINC000121893528 1025939694 /nfs/dbraw/zinc/93/96/94/1025939694.db2.gz VHXNQOJNNSKRGR-STQMWFEESA-N 0 0 346.814 3.813 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccc(F)cc3)c21 ZINC000103176060 1026054062 /nfs/dbraw/zinc/05/40/62/1026054062.db2.gz HHIUCKGYTDTICV-UHFFFAOYSA-N 0 0 325.387 3.657 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccccc3F)c21 ZINC000103176052 1026055869 /nfs/dbraw/zinc/05/58/69/1026055869.db2.gz KMCWZIWSKCQQHA-UHFFFAOYSA-N 0 0 325.387 3.657 10 0 EHAERN Cc1nc([C@H]2CCCN(C(=O)c3cccc4cn[nH]c43)C2)sc1C ZINC000329615243 1026077815 /nfs/dbraw/zinc/07/78/15/1026077815.db2.gz FHPXBHLUSXGLMN-AWEZNQCLSA-N 0 0 340.452 3.656 10 0 EHAERN CC(C)n1c(SCc2csc(C(C)(C)C)n2)nnc1N(C)C ZINC000103350943 1026078735 /nfs/dbraw/zinc/07/87/35/1026078735.db2.gz VUBRNLBWVHRQGN-UHFFFAOYSA-N 0 0 339.534 3.971 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)/C=C\c2ccco2)CC1 ZINC000588522920 1026379246 /nfs/dbraw/zinc/37/92/46/1026379246.db2.gz RYZVAGXMVOLKCJ-WHLNPGIBSA-N 0 0 335.400 3.626 10 0 EHAERN CC1(C)CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000152628925 1026466303 /nfs/dbraw/zinc/46/63/03/1026466303.db2.gz NPFJHYMHUGOPGD-HNNXBMFYSA-N 0 0 332.469 3.528 10 0 EHAERN C/C(=C/C(=O)Nc1cn(Cc2ccccc2)nn1)c1cccc(F)c1 ZINC000588532737 1026719320 /nfs/dbraw/zinc/71/93/20/1026719320.db2.gz IPACEHNXRMGNKS-UVTDQMKNSA-N 0 0 336.370 3.508 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CCO2)o1 ZINC000127091917 1027271591 /nfs/dbraw/zinc/27/15/91/1027271591.db2.gz IJOHTUBSEZQAQF-KRWDZBQOSA-N 0 0 344.798 3.936 10 0 EHAERN Cc1cnc(CCCc2nc(-c3ccccc3OC(F)F)no2)o1 ZINC000453054605 1027297721 /nfs/dbraw/zinc/29/77/21/1027297721.db2.gz AZPKGEOJIGCDMC-UHFFFAOYSA-N 0 0 335.310 3.810 10 0 EHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000128442087 1027435165 /nfs/dbraw/zinc/43/51/65/1027435165.db2.gz KXJOWMOHJVCWQX-HOCLYGCPSA-N 0 0 330.815 3.529 10 0 EHAERN c1cnn([C@H]2CCCC[C@@H]2NCc2noc(C3CCCCC3)n2)c1 ZINC000128451723 1027439187 /nfs/dbraw/zinc/43/91/87/1027439187.db2.gz WGLPVXUNOCSBQM-HOTGVXAUSA-N 0 0 329.448 3.587 10 0 EHAERN Cc1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)cnn1-c1ccccc1F ZINC000129742954 1027597135 /nfs/dbraw/zinc/59/71/35/1027597135.db2.gz HSFJAEREYRJAHI-CQSZACIVSA-N 0 0 342.201 3.842 10 0 EHAERN Cc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c2cnn(C(C)C)c2n1 ZINC000248419272 1027604852 /nfs/dbraw/zinc/60/48/52/1027604852.db2.gz KXJPBJIZSOHPIT-JCKWVBRZSA-N 0 0 340.471 3.971 10 0 EHAERN CC(C)[C@H](NC(=O)N1CC[C@@H](C)C[C@H](C)C1)c1nc(C2CC2)no1 ZINC000246710054 1027606878 /nfs/dbraw/zinc/60/68/78/1027606878.db2.gz XWSUBXHAWJVXJI-IPYPFGDCSA-N 0 0 334.464 3.722 10 0 EHAERN Cn1cnnc1[C@H]1CCCN1C(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000130448250 1027670073 /nfs/dbraw/zinc/67/00/73/1027670073.db2.gz SVYYZYMQKATJHN-TZMCWYRMSA-N 0 0 347.488 3.511 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1csc(-c2ccco2)n1 ZINC000131793911 1027823608 /nfs/dbraw/zinc/82/36/08/1027823608.db2.gz XFQWBGNDQKPQQU-ZBEGNZNMSA-N 0 0 340.404 3.584 10 0 EHAERN COc1ccc(C(=O)[C@@H]2CCCN2C(=O)CCc2cccs2)cc1 ZINC000049703380 1027837580 /nfs/dbraw/zinc/83/75/80/1027837580.db2.gz GKLSYLANCRBNNO-KRWDZBQOSA-N 0 0 343.448 3.563 10 0 EHAERN Cc1nnc([C@@H]2CC23CCN(c2ncccc2C(F)(F)F)CC3)o1 ZINC000359905408 1027877114 /nfs/dbraw/zinc/87/71/14/1027877114.db2.gz KIUCLRYZCKRLLR-LBPRGKRZSA-N 0 0 338.333 3.566 10 0 EHAERN CO[C@@H]1CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC[C@@H]1C ZINC000588552385 1027890986 /nfs/dbraw/zinc/89/09/86/1027890986.db2.gz GSBCWANLJNLELD-VYVVHGEZSA-N 0 0 339.382 3.575 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3sc(C)nc3CC(C)C)CCO2)o1 ZINC000133829875 1028071699 /nfs/dbraw/zinc/07/16/99/1028071699.db2.gz XJPZCOPHUOBYJQ-MRXNPFEDSA-N 0 0 348.468 3.765 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@@H](C)c3ccccc3C)CCO2)o1 ZINC000133841244 1028073421 /nfs/dbraw/zinc/07/34/21/1028073421.db2.gz ASZLOPXKRMOZLS-DNVCBOLYSA-N 0 0 327.424 3.990 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(OCC4CC4)cc3)CCO2)o1 ZINC000133899476 1028078006 /nfs/dbraw/zinc/07/80/06/1028078006.db2.gz QTAUXMZAKTZIPZ-LJQANCHMSA-N 0 0 341.407 3.591 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(C)c(F)cc3Cl)CCO2)o1 ZINC000134170666 1028098282 /nfs/dbraw/zinc/09/82/82/1028098282.db2.gz SNDPPPKZEBPVBD-MRXNPFEDSA-N 0 0 337.778 3.903 10 0 EHAERN CCOc1cc(F)ccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000153533216 1028105735 /nfs/dbraw/zinc/10/57/35/1028105735.db2.gz HNMNKYKDEAOOCL-KRWDZBQOSA-N 0 0 348.374 3.731 10 0 EHAERN COc1cc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)ccc1F ZINC000153548851 1028157320 /nfs/dbraw/zinc/15/73/20/1028157320.db2.gz QKLOIKAFZQNBDL-KZULUSFZSA-N 0 0 340.402 3.701 10 0 EHAERN O=C(Nc1cc(F)ccc1Cl)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137361900 1028308935 /nfs/dbraw/zinc/30/89/35/1028308935.db2.gz BAPJYCABMIMHCW-CYBMUJFWSA-N 0 0 335.766 3.559 10 0 EHAERN O=C(c1coc(Br)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047536 1028352727 /nfs/dbraw/zinc/35/27/27/1028352727.db2.gz CFUPGPPVYOWOCE-SECBINFHSA-N 0 0 341.230 3.518 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)c(C)n1C1CC1 ZINC000067047258 1028352926 /nfs/dbraw/zinc/35/29/26/1028352926.db2.gz PIYFPXHXGHJVMP-AWEZNQCLSA-N 0 0 329.469 3.916 10 0 EHAERN Cc1ccccc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000070740427 1028461196 /nfs/dbraw/zinc/46/11/96/1028461196.db2.gz TWIFKKGHESLVBO-UHFFFAOYSA-N 0 0 341.382 3.592 10 0 EHAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCn2c3ccccc3nc21 ZINC000193804291 1028467929 /nfs/dbraw/zinc/46/79/29/1028467929.db2.gz DGZMZLROUJDVPT-VQIMIIECSA-N 0 0 347.418 3.551 10 0 EHAERN C[C@H]1CN(Cc2nc(-c3cccs3)no2)C[C@@H](c2ccsc2)O1 ZINC000246428110 1028486354 /nfs/dbraw/zinc/48/63/54/1028486354.db2.gz KDULMYXEBOTGRL-AAEUAGOBSA-N 0 0 347.465 3.822 10 0 EHAERN COc1ccc(NC(=O)[C@H]2CCCc3cccnc32)c2cccnc12 ZINC000194134028 1028493942 /nfs/dbraw/zinc/49/39/42/1028493942.db2.gz CZPKNOCSZHWMMC-HNNXBMFYSA-N 0 0 333.391 3.697 10 0 EHAERN C[C@H]1CCC[C@@H](OC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000072691709 1028512864 /nfs/dbraw/zinc/51/28/64/1028512864.db2.gz TXPLRJGZAAULGI-DZGCQCFKSA-N 0 0 335.469 3.722 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000194592437 1028523646 /nfs/dbraw/zinc/52/36/46/1028523646.db2.gz WMWHTCOHOYKMKA-LLVKDONJSA-N 0 0 336.848 3.911 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000246684693 1028589391 /nfs/dbraw/zinc/58/93/91/1028589391.db2.gz DKYLEYDHEQNBRA-YYIAUSFCSA-N 0 0 332.492 3.617 10 0 EHAERN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195355141 1028599283 /nfs/dbraw/zinc/59/92/83/1028599283.db2.gz UQANBGAUTWSUJS-ZDUSSCGKSA-N 0 0 349.887 3.923 10 0 EHAERN O=C(NC[C@@H]1CC=CCC1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000246602334 1028668542 /nfs/dbraw/zinc/66/85/42/1028668542.db2.gz VYENBLAXLOXZBC-PMPSAXMXSA-N 0 0 334.485 3.702 10 0 EHAERN C[C@]1(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)CC1(Cl)Cl ZINC000245392326 1028704485 /nfs/dbraw/zinc/70/44/85/1028704485.db2.gz SWEFFQRJIOKKMV-UMVBOHGHSA-N 0 0 328.239 3.607 10 0 EHAERN CC(C)(C)c1noc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000246996572 1028723400 /nfs/dbraw/zinc/72/34/00/1028723400.db2.gz KSUUHCMINGFFLA-QWHCGFSZSA-N 0 0 335.473 3.517 10 0 EHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CSCCS2)C1 ZINC000247057706 1028735499 /nfs/dbraw/zinc/73/54/99/1028735499.db2.gz OTFHBGUMBFFXMU-KCPJHIHWSA-N 0 0 325.474 3.584 10 0 EHAERN Cc1csc(C(C)(C)NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000247313260 1028777316 /nfs/dbraw/zinc/77/73/16/1028777316.db2.gz FWVLSYWTBDDCQI-BZUAXINKSA-N 0 0 341.480 3.572 10 0 EHAERN C[C@H]1CC[C@H](CCC(=O)N2CCC(Nc3ccccc3F)CC2)O1 ZINC000075805805 1028795013 /nfs/dbraw/zinc/79/50/13/1028795013.db2.gz GSKOMIMBRGLNPP-GOEBONIOSA-N 0 0 334.435 3.576 10 0 EHAERN Cc1ccccc1[C@H]1CN(Cc2ncn(-c3ccccc3)n2)[C@@H](C)CO1 ZINC000245546208 1028806327 /nfs/dbraw/zinc/80/63/27/1028806327.db2.gz WCEOYZOTBGUQQY-FXAWDEMLSA-N 0 0 348.450 3.538 10 0 EHAERN Cc1ccc2c(CC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)coc2c1C ZINC000247670196 1028809316 /nfs/dbraw/zinc/80/93/16/1028809316.db2.gz YMHSQBLJUPUGMW-KSZLIROESA-N 0 0 327.424 3.666 10 0 EHAERN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCC[C@H]1CCCCO1 ZINC000248744567 1028944759 /nfs/dbraw/zinc/94/47/59/1028944759.db2.gz RVBKRDHMYFRLOK-QRQLOZEOSA-N 0 0 330.472 3.923 10 0 EHAERN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCc4cccnc43)C2)cc1 ZINC000248858866 1028958187 /nfs/dbraw/zinc/95/81/87/1028958187.db2.gz LSCYNJBTJLNUMW-ICSRJNTNSA-N 0 0 349.478 3.595 10 0 EHAERN CC(C)(C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(Cl)c1F ZINC000249374042 1028998663 /nfs/dbraw/zinc/99/86/63/1028998663.db2.gz XTEFPOQIJFRPTQ-VCTAVGKDSA-N 0 0 339.838 3.686 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000078188125 1029239258 /nfs/dbraw/zinc/23/92/58/1029239258.db2.gz UYEHKUDHWXGZLR-GOEBONIOSA-N 0 0 347.418 3.657 10 0 EHAERN C[C@@H](C(=O)N1CCc2cc(-c3ccccc3)oc2C1)C1CCOCC1 ZINC000154755669 1029307194 /nfs/dbraw/zinc/30/71/94/1029307194.db2.gz OYAGKKNFQQZWLF-OAHLLOKOSA-N 0 0 339.435 3.894 10 0 EHAERN CN(CCc1ccccc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155436158 1029539553 /nfs/dbraw/zinc/53/95/53/1029539553.db2.gz UZQFJZWBTRZZKP-UHFFFAOYSA-N 0 0 343.496 3.601 10 0 EHAERN C[C@@H](c1ccncc1)N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155488114 1029552748 /nfs/dbraw/zinc/55/27/48/1029552748.db2.gz MDGUUPBUFJEKMJ-AWEZNQCLSA-N 0 0 344.484 3.515 10 0 EHAERN COc1cc(F)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114808231 1029834678 /nfs/dbraw/zinc/83/46/78/1029834678.db2.gz SEZOOUDIOHFUPG-NSHDSACASA-N 0 0 335.404 3.702 10 0 EHAERN COc1ccccc1[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)c1ccccn1 ZINC000089697557 1029974965 /nfs/dbraw/zinc/97/49/65/1029974965.db2.gz BFYMJNQUFZZRTA-KBXCAEBGSA-N 0 0 341.455 3.913 10 0 EHAERN Fc1cc(F)cc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202068 1030090724 /nfs/dbraw/zinc/09/07/24/1030090724.db2.gz OTZIPBQUAOUXQU-HNNXBMFYSA-N 0 0 335.741 3.880 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CSCC(F)(F)F)C2)cc1 ZINC000090420179 1030112888 /nfs/dbraw/zinc/11/28/88/1030112888.db2.gz LZAAHKNIRFKBDI-DGCLKSJQSA-N 0 0 347.402 3.695 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C)C[C@@H]2C)no1 ZINC000246778910 1030126173 /nfs/dbraw/zinc/12/61/73/1030126173.db2.gz ZGLJOYAYBBQSML-CBBWQLFWSA-N 0 0 334.464 3.864 10 0 EHAERN CN(C(=O)[C@]1(C)CCCc2ccccc21)[C@H]1CCCc2c1cnn2C ZINC000157057114 1030224682 /nfs/dbraw/zinc/22/46/82/1030224682.db2.gz VJZMRSTUJFPHMV-GHTZIAJQSA-N 0 0 337.467 3.550 10 0 EHAERN CC[C@@H](NC(=O)N1CCC(Cn2cccn2)CC1)c1cccs1 ZINC000157280241 1030405013 /nfs/dbraw/zinc/40/50/13/1030405013.db2.gz QFVQBYALTUXXCP-OAHLLOKOSA-N 0 0 332.473 3.518 10 0 EHAERN O=S1(=O)CC[C@H](Nc2cccc(-c3cnco3)c2)c2ccccc21 ZINC000193910747 1030625922 /nfs/dbraw/zinc/62/59/22/1030625922.db2.gz DNNHNJFMCMOWNU-INIZCTEOSA-N 0 0 340.404 3.672 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1cccs1 ZINC000246720899 1030670987 /nfs/dbraw/zinc/67/09/87/1030670987.db2.gz URORWSZTBDRTQH-BJYFIVITSA-N 0 0 342.530 3.578 10 0 EHAERN O=C(Cc1ccc(F)cc1)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000169943497 1030681962 /nfs/dbraw/zinc/68/19/62/1030681962.db2.gz LEUANCBNIJFXDQ-HXUWFJFHSA-N 0 0 338.357 3.808 10 0 EHAERN CC(C)Oc1cccc(CC(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000170632047 1030688985 /nfs/dbraw/zinc/68/89/85/1030688985.db2.gz GBXGXPAFOSIVBX-UHFFFAOYSA-N 0 0 337.379 3.705 10 0 EHAERN O=C(COc1ccc(Cl)cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171616789 1030767855 /nfs/dbraw/zinc/76/78/55/1030767855.db2.gz YTAOYQPTRCUFCN-UHFFFAOYSA-N 0 0 344.842 3.595 10 0 EHAERN CCCOc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000171641197 1030770137 /nfs/dbraw/zinc/77/01/37/1030770137.db2.gz HSSARENYWBCNBW-OAHLLOKOSA-N 0 0 330.453 3.952 10 0 EHAERN COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171640752 1030770512 /nfs/dbraw/zinc/77/05/12/1030770512.db2.gz BRLQOXQGPWTUFC-LLVKDONJSA-N 0 0 336.844 3.825 10 0 EHAERN C[C@@]1(C(=O)N[C@@H](c2nccs2)c2ccccc2)CC1(Cl)Cl ZINC000171496735 1030784761 /nfs/dbraw/zinc/78/47/61/1030784761.db2.gz HBXLAJKPVMOFPZ-RISCZKNCSA-N 0 0 341.263 3.933 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2cccc(C(F)F)c2)c2ccccc2)[nH]1 ZINC000171503896 1030784865 /nfs/dbraw/zinc/78/48/65/1030784865.db2.gz VRPWDJDOGFEDCR-OAHLLOKOSA-N 0 0 342.349 3.570 10 0 EHAERN O=C(c1ccc(F)cc1Cl)N1CCC(Cc2ccccn2)CC1 ZINC000171609961 1030800084 /nfs/dbraw/zinc/80/00/84/1030800084.db2.gz ZIJGFFZUBXHVLC-UHFFFAOYSA-N 0 0 332.806 3.969 10 0 EHAERN CSc1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000172226904 1030873215 /nfs/dbraw/zinc/87/32/15/1030873215.db2.gz ZTPYWBNINPDRTJ-AWEZNQCLSA-N 0 0 347.509 3.954 10 0 EHAERN CC(C)(C)C1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000172299413 1030878160 /nfs/dbraw/zinc/87/81/60/1030878160.db2.gz DUSYSBNEYIZQNJ-MRXNPFEDSA-N 0 0 346.496 3.774 10 0 EHAERN CCCOc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(C)c1 ZINC000172471499 1030962328 /nfs/dbraw/zinc/96/23/28/1030962328.db2.gz UDYZATKDQAPJSU-MOPGFXCFSA-N 0 0 340.423 3.564 10 0 EHAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc2cc(F)ccc2oc1=O ZINC000172892082 1031026949 /nfs/dbraw/zinc/02/69/49/1031026949.db2.gz PLWZZEDGBDFOCD-UHFFFAOYSA-N 0 0 349.321 3.575 10 0 EHAERN Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CCN3C)c1Cl ZINC000173504718 1031106016 /nfs/dbraw/zinc/10/60/16/1031106016.db2.gz VBHXMJMBFBJBPH-UHFFFAOYSA-N 0 0 343.814 3.679 10 0 EHAERN Cc1ccc(/C=C/C(=O)N2CCC(Nc3ccccc3F)CC2)o1 ZINC000174078149 1031163207 /nfs/dbraw/zinc/16/32/07/1031163207.db2.gz ZTJLVAYXQTWOGT-CMDGGOBGSA-N 0 0 328.387 3.843 10 0 EHAERN C[C@H]1CCCC[C@@H]1OCc1noc(Cc2ccc3c(c2)NC(=O)C3)n1 ZINC000329583744 1031210582 /nfs/dbraw/zinc/21/05/82/1031210582.db2.gz QQWIAMVAQVNKJO-LRDDRELGSA-N 0 0 341.411 3.900 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3cc(C)ccc3F)CC2)nc1 ZINC000174481923 1031223432 /nfs/dbraw/zinc/22/34/32/1031223432.db2.gz MNDSHEPLWFFRCM-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN CC(C)CCO[C@H]1CCN(C(=O)c2nc(C(C)C)ncc2Cl)C1 ZINC000175177268 1031309008 /nfs/dbraw/zinc/30/90/08/1031309008.db2.gz ZKWWPBOLPXMNTG-ZDUSSCGKSA-N 0 0 339.867 3.531 10 0 EHAERN C[C@@H]1CN(C(=O)NC[C@@H](CCO)c2ccccc2)[C@H]1c1ccccc1 ZINC000175235488 1031313051 /nfs/dbraw/zinc/31/30/51/1031313051.db2.gz FJKVCSJQGOYTGC-NSISKUIASA-N 0 0 338.451 3.555 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(CC(C)C)CC(C)C)CC2)nc1 ZINC000175282099 1031319519 /nfs/dbraw/zinc/31/95/19/1031319519.db2.gz BNAOXCRWXCQULL-UHFFFAOYSA-N 0 0 346.519 3.682 10 0 EHAERN CC[C@@H]1CN(C(=O)c2ncncc2Cl)CC[C@@H]1c1ccccc1 ZINC000177685233 1031587007 /nfs/dbraw/zinc/58/70/07/1031587007.db2.gz YPOUOAPOSILRGD-HIFRSBDPSA-N 0 0 329.831 3.786 10 0 EHAERN CC[C@@H]1CN(C(=O)c2ncncc2Cl)CC[C@H]1c1ccccc1 ZINC000177685253 1031587046 /nfs/dbraw/zinc/58/70/46/1031587046.db2.gz YPOUOAPOSILRGD-UKRRQHHQSA-N 0 0 329.831 3.786 10 0 EHAERN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cccc(N)c1 ZINC000178466433 1031667686 /nfs/dbraw/zinc/66/76/86/1031667686.db2.gz YCCFFUULGMOFCV-LJQANCHMSA-N 0 0 346.434 3.952 10 0 EHAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1sccc1-c1ccccc1 ZINC000178340923 1031683822 /nfs/dbraw/zinc/68/38/22/1031683822.db2.gz MOXWLPCYMNSAMA-MSOLQXFVSA-N 0 0 335.428 3.803 10 0 EHAERN COc1ccc(OC)c(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117721642 1031841449 /nfs/dbraw/zinc/84/14/49/1031841449.db2.gz BXXOPBJHTLLEBK-UHFFFAOYSA-N 0 0 329.421 3.695 10 0 EHAERN COC(=O)Nc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1F ZINC000180440425 1031851465 /nfs/dbraw/zinc/85/14/65/1031851465.db2.gz OWRYQFKJSIFPLD-MAZHCROVSA-N 0 0 334.391 3.764 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)nc1 ZINC000180866041 1031917432 /nfs/dbraw/zinc/91/74/32/1031917432.db2.gz DYEDOVYONAYKIK-KRWDZBQOSA-N 0 0 338.451 3.954 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnn(CC(C)C)c3)C2)cc1 ZINC000181037476 1031940116 /nfs/dbraw/zinc/94/01/16/1031940116.db2.gz CHXXOQCPCUOIMP-NVXWUHKLSA-N 0 0 341.455 3.566 10 0 EHAERN c1csc(C2=CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)c1 ZINC000181351583 1031976417 /nfs/dbraw/zinc/97/64/17/1031976417.db2.gz UODFTPLYLKBRBS-UHFFFAOYSA-N 0 0 326.469 3.841 10 0 EHAERN O=C(Nc1ccnc(Cl)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000181864593 1032040047 /nfs/dbraw/zinc/04/00/47/1032040047.db2.gz COISYYQKUIQQHA-UHFFFAOYSA-N 0 0 348.809 3.983 10 0 EHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2CC)C1 ZINC000152324548 1033905935 /nfs/dbraw/zinc/90/59/35/1033905935.db2.gz IPAJOYVNIYDCTO-GVDBMIGSSA-N 0 0 332.492 3.761 10 0 EHAERN COc1cccc([C@@H](C)CC(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000084559390 1033917567 /nfs/dbraw/zinc/91/75/67/1033917567.db2.gz APADRPVCKXYFSO-ZDUSSCGKSA-N 0 0 337.379 3.878 10 0 EHAERN COc1cccc([C@H](C)CC(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000084559391 1033918460 /nfs/dbraw/zinc/91/84/60/1033918460.db2.gz APADRPVCKXYFSO-CYBMUJFWSA-N 0 0 337.379 3.878 10 0 EHAERN Cc1cccc(-c2noc(CS(=O)(=O)c3cccc(Cl)c3)n2)c1 ZINC000102075233 1034400506 /nfs/dbraw/zinc/40/05/06/1034400506.db2.gz LLCXMQOSBWESGL-UHFFFAOYSA-N 0 0 348.811 3.672 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3n[nH]c4ccccc43)C2)cc1 ZINC000121270970 1034618641 /nfs/dbraw/zinc/61/86/41/1034618641.db2.gz IFYGTPAAUMIMOI-ZFWWWQNUSA-N 0 0 335.407 3.590 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3[nH]nc4ccccc43)C2)cc1 ZINC000121300072 1034648185 /nfs/dbraw/zinc/64/81/85/1034648185.db2.gz GFGFCQCEVAJOQJ-HOCLYGCPSA-N 0 0 349.434 3.519 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246997560 1034766447 /nfs/dbraw/zinc/76/64/47/1034766447.db2.gz LIUFLASUSNIMJH-IRWQIABSSA-N 0 0 348.874 3.664 10 0 EHAERN CCOc1ccc2c(c1)[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)CCO2 ZINC000185622442 1035504767 /nfs/dbraw/zinc/50/47/67/1035504767.db2.gz KGVKVJQSVYBPQW-SWLSCSKDSA-N 0 0 344.238 3.609 10 0 EHAERN C[C@@H](CC1CCCCC1)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186435813 1035633850 /nfs/dbraw/zinc/63/38/50/1035633850.db2.gz PINWSVZVECZYSE-KRWDZBQOSA-N 0 0 329.488 3.727 10 0 EHAERN CCO[C@H]1C[C@H](Nc2ccccc2-n2ccc(C)n2)C12CCOCC2 ZINC000186470316 1035639266 /nfs/dbraw/zinc/63/92/66/1035639266.db2.gz QUONUSLHPNMLFX-OALUTQOASA-N 0 0 341.455 3.567 10 0 EHAERN CN1Cc2cc(NC3CCN(c4ccccc4)CC3)ccc2NC1=O ZINC000186523790 1035655760 /nfs/dbraw/zinc/65/57/60/1035655760.db2.gz SHZUXSKDQKROEV-UHFFFAOYSA-N 0 0 336.439 3.745 10 0 EHAERN COc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1F ZINC000186834194 1035713753 /nfs/dbraw/zinc/71/37/53/1035713753.db2.gz QLQQKDWYNZQVRX-ZBFHGGJFSA-N 0 0 346.406 3.645 10 0 EHAERN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C=O)cc1 ZINC000187033153 1035742855 /nfs/dbraw/zinc/74/28/55/1035742855.db2.gz NYULWYOYBCKJPP-ACJLOTCBSA-N 0 0 343.810 3.755 10 0 EHAERN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C=O)cc1 ZINC000187033208 1035743545 /nfs/dbraw/zinc/74/35/45/1035743545.db2.gz NYULWYOYBCKJPP-SCLBCKFNSA-N 0 0 343.810 3.755 10 0 EHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cc1ccc(OC(C)C)cc1 ZINC000187369172 1035796865 /nfs/dbraw/zinc/79/68/65/1035796865.db2.gz UEXORORNNBBZNI-GOSISDBHSA-N 0 0 341.455 3.720 10 0 EHAERN Cc1nn(C)cc1N[C@@H]1CCCOc2c(Br)cccc21 ZINC000187767641 1035860145 /nfs/dbraw/zinc/86/01/45/1035860145.db2.gz FGWDXKZGIWFLSG-CYBMUJFWSA-N 0 0 336.233 3.817 10 0 EHAERN CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)cc1C ZINC000187674753 1035874459 /nfs/dbraw/zinc/87/44/59/1035874459.db2.gz AIKBAQUUVFTLLR-QRBZPYHOSA-N 0 0 341.407 3.600 10 0 EHAERN CC(=O)Nc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1C ZINC000188145353 1035899943 /nfs/dbraw/zinc/89/99/43/1035899943.db2.gz FENLUCXWVCYVFB-UHFFFAOYSA-N 0 0 334.419 3.883 10 0 EHAERN COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000188345249 1035912655 /nfs/dbraw/zinc/91/26/55/1035912655.db2.gz YWEWUXPDUSWWJP-HNNXBMFYSA-N 0 0 347.440 3.838 10 0 EHAERN Cc1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C3)c1C ZINC000188521917 1035945975 /nfs/dbraw/zinc/94/59/75/1035945975.db2.gz XFBWSKUOMZIOIC-LJQANCHMSA-N 0 0 334.419 3.775 10 0 EHAERN Cn1cnc2cc(C(=O)N3CCCC4(CCCCC4)CC3)cnc21 ZINC000188804921 1035977893 /nfs/dbraw/zinc/97/78/93/1035977893.db2.gz TWIZPWVAIHIHQB-UHFFFAOYSA-N 0 0 326.444 3.545 10 0 EHAERN CCOc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189795824 1036127757 /nfs/dbraw/zinc/12/77/57/1036127757.db2.gz JZSHWUAGORKEHW-UHFFFAOYSA-N 0 0 337.419 3.794 10 0 EHAERN O=C(Nc1ccccc1SC(F)F)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000189892381 1036141516 /nfs/dbraw/zinc/14/15/16/1036141516.db2.gz RUIMLRGKGGTYPN-YUSALJHKSA-N 0 0 328.384 3.690 10 0 EHAERN Cc1ccn(C)c1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000189801932 1036147868 /nfs/dbraw/zinc/14/78/68/1036147868.db2.gz VKPHOKNCKXUCMP-KRWDZBQOSA-N 0 0 348.450 3.743 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2c(C)cc(Cl)cc2C)C1 ZINC000190158948 1036200205 /nfs/dbraw/zinc/20/02/05/1036200205.db2.gz FQARMWUUFTVQRF-GOEBONIOSA-N 0 0 335.835 3.610 10 0 EHAERN C[C@@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)C1CCOCC1 ZINC000190263364 1036214044 /nfs/dbraw/zinc/21/40/44/1036214044.db2.gz CPPTUQWLOBWWNU-UKRRQHHQSA-N 0 0 337.410 3.734 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190354242 1036227676 /nfs/dbraw/zinc/22/76/76/1036227676.db2.gz LWKGMHHKKNENQV-CQSZACIVSA-N 0 0 344.484 3.799 10 0 EHAERN O=C(C1C2CC3CC(C2)CC1C3)N1CCC(Nc2nccs2)CC1 ZINC000190374177 1036232392 /nfs/dbraw/zinc/23/23/92/1036232392.db2.gz VXUDTQCGYZXHIZ-UHFFFAOYSA-N 0 0 345.512 3.618 10 0 EHAERN O=C(NCc1cscn1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190437209 1036241427 /nfs/dbraw/zinc/24/14/27/1036241427.db2.gz KWYUYVKYRMILEC-LLVKDONJSA-N 0 0 337.395 3.511 10 0 EHAERN O=C(CCc1ccncc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191537034 1036413254 /nfs/dbraw/zinc/41/32/54/1036413254.db2.gz AAFPKDWPCGCEQJ-HNNXBMFYSA-N 0 0 330.378 3.699 10 0 EHAERN COCc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000192504114 1036523598 /nfs/dbraw/zinc/52/35/98/1036523598.db2.gz IAZDUEMSWDFGMF-UHFFFAOYSA-N 0 0 345.468 3.685 10 0 EHAERN COCc1ccc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2C)cc1 ZINC000192516992 1036524439 /nfs/dbraw/zinc/52/44/39/1036524439.db2.gz ZTKGOYONERVNDS-OAHLLOKOSA-N 0 0 339.439 3.705 10 0 EHAERN CC(C)(C)Oc1ccncc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000192820546 1036558162 /nfs/dbraw/zinc/55/81/62/1036558162.db2.gz SQCXBNPFKTZRRT-CQSZACIVSA-N 0 0 325.412 3.713 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)n1 ZINC000102646776 1036738629 /nfs/dbraw/zinc/73/86/29/1036738629.db2.gz VJCCWUWHQDIPDZ-OAHLLOKOSA-N 0 0 344.480 3.933 10 0 EHAERN NC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1F ZINC000102629258 1036751009 /nfs/dbraw/zinc/75/10/09/1036751009.db2.gz WHYIPYKMSJOSKU-UHFFFAOYSA-N 0 0 332.718 3.577 10 0 EHAERN COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000103080524 1036835794 /nfs/dbraw/zinc/83/57/94/1036835794.db2.gz VQYVBKWFKGTROH-ZDUSSCGKSA-N 0 0 337.379 3.878 10 0 EHAERN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)c(C)c1 ZINC000175386159 1037062455 /nfs/dbraw/zinc/06/24/55/1037062455.db2.gz KWAGJZILPTUIQP-AWEZNQCLSA-N 0 0 336.482 3.676 10 0 EHAERN Fc1ccc(C2=CCN(Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000105607743 1037205396 /nfs/dbraw/zinc/20/53/96/1037205396.db2.gz LQSSMFBBSDGKJC-UHFFFAOYSA-N 0 0 325.343 3.758 10 0 EHAERN CC(C)OC(=O)c1cccnc1N1CCC(Cc2ccccn2)CC1 ZINC000193567992 1037380036 /nfs/dbraw/zinc/38/00/36/1037380036.db2.gz ZAARAYAIRAVIKT-UHFFFAOYSA-N 0 0 339.439 3.501 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)N3CCC[C@H]3C3CCC3)c2)no1 ZINC000102953976 1037585932 /nfs/dbraw/zinc/58/59/32/1037585932.db2.gz OFKNNRGVKOVYRR-INIZCTEOSA-N 0 0 326.400 3.841 10 0 EHAERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@]1(C)CC1(Cl)Cl ZINC000110314316 1037711707 /nfs/dbraw/zinc/71/17/07/1037711707.db2.gz LPDQJVLYOQKUCO-ZLDLUXBVSA-N 0 0 328.239 3.559 10 0 EHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1ccncc1)CCC2 ZINC000111798189 1037742124 /nfs/dbraw/zinc/74/21/24/1037742124.db2.gz SSKWIHHGQMJSDB-XHDPSFHLSA-N 0 0 330.457 3.627 10 0 EHAERN COCCOc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)c1 ZINC000117620517 1037857104 /nfs/dbraw/zinc/85/71/04/1037857104.db2.gz LXQXIVQUHNHVPU-IFXJQAMLSA-N 0 0 341.407 3.523 10 0 EHAERN CCC[C@@]1(C)CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000332692706 1037950556 /nfs/dbraw/zinc/95/05/56/1037950556.db2.gz UWNNVQIAWVUAMT-APWZRJJASA-N 0 0 332.492 3.681 10 0 EHAERN CCC[C@@]1(C)CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000332692719 1037951441 /nfs/dbraw/zinc/95/14/41/1037951441.db2.gz UWNNVQIAWVUAMT-LPHOPBHVSA-N 0 0 332.492 3.681 10 0 EHAERN CC1(C)CN(C(=O)NC[C@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000332841654 1037958689 /nfs/dbraw/zinc/95/86/89/1037958689.db2.gz NOJUTWHIPWNBHY-UKRRQHHQSA-N 0 0 344.484 3.615 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N[C@H]3CCO[C@@H]3C)cc2s1 ZINC000408401149 1039049584 /nfs/dbraw/zinc/04/95/84/1039049584.db2.gz ACZOGTPJVZXMPK-XCBNKYQSSA-N 0 0 325.821 3.557 10 0 EHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H]1CCC(=O)C[C@H]1C)CCC2 ZINC000245628025 1040197339 /nfs/dbraw/zinc/19/73/39/1040197339.db2.gz SKQSGQATNISHRH-UXIGCNINSA-N 0 0 334.485 3.547 10 0 EHAERN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151527561 1040200465 /nfs/dbraw/zinc/20/04/65/1040200465.db2.gz GRTWXTYAWJQOQC-ACJLOTCBSA-N 0 0 333.815 3.853 10 0 EHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1csc(C(C)(C)C)n1 ZINC000408093734 1040879719 /nfs/dbraw/zinc/87/97/19/1040879719.db2.gz WTNHTAZDHKQSBP-AWEZNQCLSA-N 0 0 346.500 3.768 10 0 EHAERN CCCCOc1ccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000249038019 1040894677 /nfs/dbraw/zinc/89/46/77/1040894677.db2.gz YEOGITUHWYHWRH-ROUUACIJSA-N 0 0 345.443 3.519 10 0 EHAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408173060 1042105953 /nfs/dbraw/zinc/10/59/53/1042105953.db2.gz FBNBQWBPXKCJAE-PBOLBBRVSA-N 0 0 342.483 3.645 10 0 EHAERN O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408189850 1042319306 /nfs/dbraw/zinc/31/93/06/1042319306.db2.gz YLBBAFSSAPWJSG-OXJNMPFZSA-N 0 0 339.439 3.841 10 0 EHAERN CCc1nnc(-c2ccc(NC(=O)N3CC[C@H]4CCC[C@@H]43)cc2)o1 ZINC000330258590 1042647582 /nfs/dbraw/zinc/64/75/82/1042647582.db2.gz RLRVULNBPHLIEN-DOMZBBRYSA-N 0 0 326.400 3.705 10 0 EHAERN CC[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1cccs1 ZINC000161728972 1042681069 /nfs/dbraw/zinc/68/10/69/1042681069.db2.gz NSWZICLSSAXQRM-CQSZACIVSA-N 0 0 341.440 3.816 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000162492807 1042734175 /nfs/dbraw/zinc/73/41/75/1042734175.db2.gz HARCIUGVXWQEPW-UHFFFAOYSA-N 0 0 339.464 3.730 10 0 EHAERN COc1ccc(C)cc1[C@@H](C)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162538021 1042736978 /nfs/dbraw/zinc/73/69/78/1042736978.db2.gz USEKJQVFTCTYKS-AUUYWEPGSA-N 0 0 336.439 3.870 10 0 EHAERN CO[C@H](C)c1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000121413594 1042771716 /nfs/dbraw/zinc/77/17/16/1042771716.db2.gz RPYMHRAQIQVBFU-OGWOLHLISA-N 0 0 332.444 3.553 10 0 EHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)N(C)C2CCCCC2)o1 ZINC000408236898 1042821138 /nfs/dbraw/zinc/82/11/38/1042821138.db2.gz OPFZSQYKLDYYBE-MRXNPFEDSA-N 0 0 340.489 3.624 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000408283001 1042957084 /nfs/dbraw/zinc/95/70/84/1042957084.db2.gz DRAUQNQMVWXHIF-MGPUTAFESA-N 0 0 332.488 3.992 10 0 EHAERN C[C@@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)c1cc2cccc(F)c2o1 ZINC000408297325 1042990937 /nfs/dbraw/zinc/99/09/37/1042990937.db2.gz HROXICVOUUGWDS-VXGBXAGGSA-N 0 0 334.391 3.842 10 0 EHAERN Cc1c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)sc2nccc(C)c12 ZINC000408349822 1043536032 /nfs/dbraw/zinc/53/60/32/1043536032.db2.gz MHVAMMLBKJLISO-KUHUBIRLSA-N 0 0 344.480 3.680 10 0 EHAERN C[C@@H]1CCc2nc(NC(=O)c3snnc3C(C)(C)C)sc2C1 ZINC000408356753 1043680100 /nfs/dbraw/zinc/68/01/00/1043680100.db2.gz SASJQQJDQJDHME-MRVPVSSYSA-N 0 0 336.486 3.669 10 0 EHAERN O=C(OC1CCCCCCC1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000102123174 1135461081 /nfs/dbraw/zinc/46/10/81/1135461081.db2.gz SIZZSWFPJUZLME-UHFFFAOYSA-N 0 0 336.476 3.570 10 0 EHAERN CC(C)(C(=O)OCC(F)(F)F)c1cccc(Br)c1 ZINC000102508313 1135578397 /nfs/dbraw/zinc/57/83/97/1135578397.db2.gz NXFRDXSKCUNXBF-UHFFFAOYSA-N 0 0 325.124 3.832 10 0 EHAERN CCOc1ccccc1[C@@H](CC(=O)OC[C@@H]1CC=CCC1)NC(C)=O ZINC000102907841 1135691433 /nfs/dbraw/zinc/69/14/33/1135691433.db2.gz DFEWJNCGUPHESE-SJLPKXTDSA-N 0 0 345.439 3.552 10 0 EHAERN CC(C)N(c1ccccc1)S(=O)(=O)c1cccc2ncccc21 ZINC000104101838 1135753438 /nfs/dbraw/zinc/75/34/38/1135753438.db2.gz FHNOMTMSYOXJCS-UHFFFAOYSA-N 0 0 326.421 3.839 10 0 EHAERN CCN(C(=O)CSC(C)(C)C)c1ccc(Br)cn1 ZINC000102256231 1137872570 /nfs/dbraw/zinc/87/25/70/1137872570.db2.gz GEFSJTYNPYNWMX-UHFFFAOYSA-N 0 0 331.279 3.729 10 0 EHAERN CC[C@@H]1CCCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000102567425 1137873333 /nfs/dbraw/zinc/87/33/33/1137873333.db2.gz VAVIWYWTUMSENW-CQSZACIVSA-N 0 0 345.418 3.855 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)[C@H](C)c3ccccn3)c21 ZINC000103317584 1137875974 /nfs/dbraw/zinc/87/59/74/1137875974.db2.gz MMDZMQAXZKDWNA-OAHLLOKOSA-N 0 0 336.439 3.816 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)c1sccc1OC(F)F ZINC000104317209 1137878140 /nfs/dbraw/zinc/87/81/40/1137878140.db2.gz SFRZGODLQPUXHE-UHFFFAOYSA-N 0 0 329.343 3.803 10 0 EHAERN Cc1noc(CCNC(=O)Nc2ccc(SC(C)(C)C)cc2)n1 ZINC000105031882 1137879964 /nfs/dbraw/zinc/87/99/64/1137879964.db2.gz HFQYZHTXWKMHRV-UHFFFAOYSA-N 0 0 334.445 3.633 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCc1cccc(OCC)c1 ZINC000105116256 1137880170 /nfs/dbraw/zinc/88/01/70/1137880170.db2.gz PFDVQZMSCYCWJE-UHFFFAOYSA-N 0 0 341.455 3.645 10 0 EHAERN O=C(Cc1cc2c(ccc3ccccc23)o1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333696201 1138321772 /nfs/dbraw/zinc/32/17/72/1138321772.db2.gz BKDRGRFTNTWGCV-ULQDDVLXSA-N 0 0 349.430 3.748 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](O)C23CCCC3)c2ccccc21 ZINC000333986932 1138357593 /nfs/dbraw/zinc/35/75/93/1138357593.db2.gz HEKJYYBOURTGKD-FHLIZLRMSA-N 0 0 328.456 3.714 10 0 EHAERN CC1(C)C[C@@H](C(=O)N[C@@H]2CCc3ccccc3C2=O)c2ccccc2O1 ZINC000334116325 1138373044 /nfs/dbraw/zinc/37/30/44/1138373044.db2.gz HKQXWMAKWQTAED-QZTJIDSGSA-N 0 0 349.430 3.645 10 0 EHAERN Nc1nc(COc2ccc(Br)cc2)nc2sccc21 ZINC000050830855 214071662 /nfs/dbraw/zinc/07/16/62/214071662.db2.gz NWXVNIOQNOHAGM-UHFFFAOYSA-N 0 0 336.214 3.615 10 0 EHAERN OCc1cccc(Br)c1OCc1ccc(F)cc1F ZINC000050885084 214072331 /nfs/dbraw/zinc/07/23/31/214072331.db2.gz ZAQNPNUKLWFJRI-UHFFFAOYSA-N 0 0 329.140 3.799 10 0 EHAERN Cc1noc(C)c1COc1ccc(Br)cc1[C@H](C)O ZINC000052068327 214115225 /nfs/dbraw/zinc/11/52/25/214115225.db2.gz VYRLGGQBOVDMJZ-VIFPVBQESA-N 0 0 326.190 3.686 10 0 EHAERN Cc1ccc(N)c(C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000053004973 214160319 /nfs/dbraw/zinc/16/03/19/214160319.db2.gz ZYSWXDORRXRVBQ-UHFFFAOYSA-N 0 0 339.258 3.673 10 0 EHAERN COc1cccc([C@@H](O)Cc2ccc(F)cc2Br)c1 ZINC000053781296 214198056 /nfs/dbraw/zinc/19/80/56/214198056.db2.gz VKPCIZPSQPNKGO-HNNXBMFYSA-N 0 0 325.177 3.873 10 0 EHAERN COc1ccc(Br)c([C@@H](O)Cc2ccccc2F)c1 ZINC000062141863 214702161 /nfs/dbraw/zinc/70/21/61/214702161.db2.gz LEUXRSJZZGULRL-HNNXBMFYSA-N 0 0 325.177 3.873 10 0 EHAERN COc1ccccc1O[C@@H](C)C(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153083 214833661 /nfs/dbraw/zinc/83/36/61/214833661.db2.gz IKCYXBAXDJOBDQ-NSHDSACASA-N 0 0 344.392 3.818 10 0 EHAERN Cc1cc(C)nc(SCC(=O)c2ccc(Br)s2)n1 ZINC000048101828 213887395 /nfs/dbraw/zinc/88/73/95/213887395.db2.gz ZZEOYFVUKVVOQZ-UHFFFAOYSA-N 0 0 343.271 3.892 10 0 EHAERN Cc1c2cc(F)ccc2[nH]c1[C@H]1CC(=O)Nc2c1c(C(C)C)nn2C ZINC000067695206 215187948 /nfs/dbraw/zinc/18/79/48/215187948.db2.gz XLAMYRSZQXNARF-ZDUSSCGKSA-N 0 0 340.402 3.946 10 0 EHAERN NNc1nc(-c2cc(Br)cs2)nc2c1CCCCC2 ZINC000103998805 219337088 /nfs/dbraw/zinc/33/70/88/219337088.db2.gz ZDZAJAWTNFLHMX-UHFFFAOYSA-N 0 0 339.262 3.522 10 0 EHAERN O=C1Nc2cc(Sc3cccc(Br)c3)ccc2[C@@H]1O ZINC000104288887 219370286 /nfs/dbraw/zinc/37/02/86/219370286.db2.gz XZAVYTUUDDQIAJ-ZDUSSCGKSA-N 0 0 336.210 3.586 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)n1 ZINC000040798072 213387895 /nfs/dbraw/zinc/38/78/95/213387895.db2.gz GFPSYYTWGAQTLO-UHFFFAOYSA-N 0 0 343.818 3.924 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1 ZINC000040779341 213385901 /nfs/dbraw/zinc/38/59/01/213385901.db2.gz LKOPMZYXOIJCEA-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN COC(=O)c1ccccc1Nc1ncnc(Nc2cccc(C)c2)c1N ZINC000040761528 213384984 /nfs/dbraw/zinc/38/49/84/213384984.db2.gz UFKPQAHZJDXJQB-UHFFFAOYSA-N 0 0 349.394 3.641 10 0 EHAERN Nc1c(Nc2ccccc2F)ncnc1Nc1ccc(F)cc1F ZINC000040759312 213383344 /nfs/dbraw/zinc/38/33/44/213383344.db2.gz IVJRHNPPZNYABH-UHFFFAOYSA-N 0 0 331.301 3.963 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3ccccc3F)c2N)cc1 ZINC000040759358 213382806 /nfs/dbraw/zinc/38/28/06/213382806.db2.gz IYVPTRAOMGSLQI-UHFFFAOYSA-N 0 0 326.331 3.742 10 0 EHAERN Nc1c(Nc2nc3ccccc3s2)ncnc1N1CCCCCC1 ZINC000040725473 213376296 /nfs/dbraw/zinc/37/62/96/213376296.db2.gz VSFBFARCUFEFLT-UHFFFAOYSA-N 0 0 340.456 3.793 10 0 EHAERN COc1ccc(Cl)cc1Nc1ncnc(NCCC(C)C)c1N ZINC000040702551 213371290 /nfs/dbraw/zinc/37/12/90/213371290.db2.gz ZPDLHSZBGDDHJF-UHFFFAOYSA-N 0 0 335.839 3.922 10 0 EHAERN COc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687375 213369948 /nfs/dbraw/zinc/36/99/48/213369948.db2.gz OTQIUHMQLGUZMQ-UHFFFAOYSA-N 0 0 333.395 3.505 10 0 EHAERN CC(=O)c1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687377 213369117 /nfs/dbraw/zinc/36/91/17/213369117.db2.gz LOBMWVPUEUREEC-UHFFFAOYSA-N 0 0 345.406 3.699 10 0 EHAERN Cc1ccnc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1 ZINC000040701353 213371628 /nfs/dbraw/zinc/37/16/28/213371628.db2.gz ISUNGYBUDWGPCR-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N1CCCC1 ZINC000037974435 213178593 /nfs/dbraw/zinc/17/85/93/213178593.db2.gz LGWUDJWOSINCNY-GFCCVEGCSA-N 0 0 348.240 3.992 10 0 EHAERN COC(=O)[C@H](NC1CCCCCC1)c1ccccc1Br ZINC000037972658 213178013 /nfs/dbraw/zinc/17/80/13/213178013.db2.gz NURGAKZQLFFFDJ-OAHLLOKOSA-N 0 0 340.261 3.976 10 0 EHAERN O=C([O-])[C@H]([NH2+]C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000037971739 213178064 /nfs/dbraw/zinc/17/80/64/213178064.db2.gz MWCUQJMMWGJONM-CYBMUJFWSA-N 0 0 330.197 3.636 10 0 EHAERN COC(=O)[C@@](C)(NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000037973325 213177601 /nfs/dbraw/zinc/17/76/01/213177601.db2.gz CHGGMQINAJEPLP-NSHDSACASA-N 0 0 330.133 3.534 10 0 EHAERN CC[C@](NC1CCCC1)(C(=O)OC)c1ccc(Br)cc1 ZINC000037969904 213177174 /nfs/dbraw/zinc/17/71/74/213177174.db2.gz DRYJVJUUHLJOHS-MRXNPFEDSA-N 0 0 340.261 3.760 10 0 EHAERN CC[C@H](C)C[C@@](CC)(Nc1ccccc1Br)C(N)=O ZINC000037943987 213175444 /nfs/dbraw/zinc/17/54/44/213175444.db2.gz UVFZLIQTVFGJEI-XHDPSFHLSA-N 0 0 327.266 3.931 10 0 EHAERN O=C(Nc1cccnc1Cl)c1cc(Br)cn1C1CC1 ZINC000037843682 213169287 /nfs/dbraw/zinc/16/92/87/213169287.db2.gz OKERRKIRXNYAFK-UHFFFAOYSA-N 0 0 340.608 3.886 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N(C)Cc1ccco1 ZINC000036860507 213125158 /nfs/dbraw/zinc/12/51/58/213125158.db2.gz FSEXMXRDJUYFJU-UHFFFAOYSA-N 0 0 325.206 3.526 10 0 EHAERN Cc1ccc(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1Cl ZINC000036047873 213058477 /nfs/dbraw/zinc/05/84/77/213058477.db2.gz SBHHLWIYUPNROA-LBPRGKRZSA-N 0 0 331.803 3.797 10 0 EHAERN COc1cccc(-c2ccc(C(=O)N3CCc4ccccc4C3)cn2)c1 ZINC000035925294 213051873 /nfs/dbraw/zinc/05/18/73/213051873.db2.gz WFGRCVIUHCIGNY-UHFFFAOYSA-N 0 0 344.414 3.956 10 0 EHAERN Cc1noc(C)c1CNc1ccc(I)cc1C ZINC000035039214 213005103 /nfs/dbraw/zinc/00/51/03/213005103.db2.gz JWOYQYYDKQILES-UHFFFAOYSA-N 0 0 342.180 3.817 10 0 EHAERN CCCC(=O)N1CCc2nc(-c3ccc(OC)c(OC)c3)sc2C1 ZINC000033255902 212910857 /nfs/dbraw/zinc/91/08/57/212910857.db2.gz KDNQVKACMAGMPR-UHFFFAOYSA-N 0 0 346.452 3.512 10 0 EHAERN N[C@H](c1ccc(I)c(Cl)c1)C(F)(F)F ZINC000072190927 216068265 /nfs/dbraw/zinc/06/82/65/216068265.db2.gz WUMITHRCAANGNP-SSDOTTSWSA-N 0 0 335.494 3.507 10 0 EHAERN N[C@H](c1ccc(I)cc1Cl)C(F)(F)F ZINC000072190929 216068414 /nfs/dbraw/zinc/06/84/14/216068414.db2.gz SBGQUMCNFATGTC-SSDOTTSWSA-N 0 0 335.494 3.507 10 0 EHAERN COc1ccc(OC)c([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221789 209493862 /nfs/dbraw/zinc/49/38/62/209493862.db2.gz MMDOFDQAJZBIFV-UONOGXRCSA-N 0 0 342.424 3.503 10 0 EHAERN COc1ccc2c(c1)C[C@H](CNC(=O)c1cc3ccccc3s1)O2 ZINC000022656863 212314467 /nfs/dbraw/zinc/31/44/67/212314467.db2.gz AGSYPAXQYBXDDJ-OAHLLOKOSA-N 0 0 339.416 3.643 10 0 EHAERN CCn1nc2c(c1-c1ccc(F)cc1)CN(C(=O)c1ccccc1)CC2 ZINC000211678197 241083765 /nfs/dbraw/zinc/08/37/65/241083765.db2.gz KRKVXYLMKQONKV-UHFFFAOYSA-N 0 0 349.409 3.908 10 0 EHAERN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000022044148 212273304 /nfs/dbraw/zinc/27/33/04/212273304.db2.gz RQBBOHCZTLJVMW-QWHCGFSZSA-N 0 0 325.437 3.921 10 0 EHAERN C[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000022044152 212272247 /nfs/dbraw/zinc/27/22/47/212272247.db2.gz RQBBOHCZTLJVMW-OLZOCXBDSA-N 0 0 325.437 3.921 10 0 EHAERN O=C(NC1CCCCC1)c1cccn2c1nnc2-c1ccccc1F ZINC000021723479 212246624 /nfs/dbraw/zinc/24/66/24/212246624.db2.gz RCOTVHIFCJNHKL-UHFFFAOYSA-N 0 0 338.386 3.598 10 0 EHAERN O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccc2O)no1 ZINC000021527713 212229022 /nfs/dbraw/zinc/22/90/22/212229022.db2.gz LASKTUOWZBIIQC-UHFFFAOYSA-N 0 0 330.727 3.659 10 0 EHAERN Nc1cc(Br)ccc1NC(=O)c1cc(F)ccc1F ZINC000020520835 212142297 /nfs/dbraw/zinc/14/22/97/212142297.db2.gz IBZDDHWZQBAWLG-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN Cc1cc(NC(=O)c2cccc(C(N)=S)c2)ccc1Br ZINC000019515819 212036642 /nfs/dbraw/zinc/03/66/42/212036642.db2.gz UMQPDYLBUBFWFJ-UHFFFAOYSA-N 0 0 349.253 3.644 10 0 EHAERN Cc1cccc(N2CCN(c3ccc(Br)cc3N)CC2)c1 ZINC000019486992 212032306 /nfs/dbraw/zinc/03/23/06/212032306.db2.gz VQZXNZDWWDCWRF-UHFFFAOYSA-N 0 0 346.272 3.666 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2cccc(C)c2C)n1C(=O)CC ZINC000011638080 211227643 /nfs/dbraw/zinc/22/76/43/211227643.db2.gz QOUDWFOBFJVLBH-ZCXUNETKSA-N 0 0 332.425 3.764 10 0 EHAERN CN(c1nsc2ccccc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074138 218271566 /nfs/dbraw/zinc/27/15/66/218271566.db2.gz JFGQEPWUPKYKJB-GFCCVEGCSA-N 0 0 333.457 3.742 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCOc2cc(Cl)ncn2)CC1 ZINC000095083765 218275859 /nfs/dbraw/zinc/27/58/59/218275859.db2.gz TUQNVWLTGKUQFI-UHFFFAOYSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(COc2cnc3ccccc3n2)CC1 ZINC000095084064 218276006 /nfs/dbraw/zinc/27/60/06/218276006.db2.gz TWCJRPMJPZYVBM-UHFFFAOYSA-N 0 0 343.427 3.656 10 0 EHAERN Cc1cc(C)nc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000095089864 218279000 /nfs/dbraw/zinc/27/90/00/218279000.db2.gz OTARTJHXCKYKJM-UHFFFAOYSA-N 0 0 335.448 3.509 10 0 EHAERN O=C(NC1CCCC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 ZINC000095597319 218444296 /nfs/dbraw/zinc/44/42/96/218444296.db2.gz RHVOATXSWKOVKB-UHFFFAOYSA-N 0 0 347.846 3.756 10 0 EHAERN CCCCC1CCC(C(=O)NCc2n[nH]c(=O)c3ccccc23)CC1 ZINC000005313208 210436672 /nfs/dbraw/zinc/43/66/72/210436672.db2.gz GASNUDMIJSRFLI-UHFFFAOYSA-N 0 0 341.455 3.536 10 0 EHAERN Cc1ccsc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nnnn21 ZINC000102793820 258069466 /nfs/dbraw/zinc/06/94/66/258069466.db2.gz AFIOASVHGCPHRG-ZDUSSCGKSA-N 0 0 329.816 3.752 10 0 EHAERN Cc1c(Cl)cccc1N1CCN(C(=O)CC(C)(C)C)[C@H](C)C1=O ZINC000037288118 132393694 /nfs/dbraw/zinc/39/36/94/132393694.db2.gz LRPGGOPROTZZRI-CYBMUJFWSA-N 0 0 336.863 3.648 10 0 EHAERN C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1cccc(Cl)c1 ZINC000124927038 222497316 /nfs/dbraw/zinc/49/73/16/222497316.db2.gz QQIFKWNZQBIDHT-XHDPSFHLSA-N 0 0 328.799 3.643 10 0 EHAERN CCOc1ccccc1OCCn1c2ccccc2nc1[C@H](C)O ZINC000040224874 521567320 /nfs/dbraw/zinc/56/73/20/521567320.db2.gz MTTLOISVIOQPCY-AWEZNQCLSA-N 0 0 326.396 3.567 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H](C)CC3CCCCC3)C2)n1 ZINC000116775503 526760385 /nfs/dbraw/zinc/76/03/85/526760385.db2.gz ABCNIGMQVVWWDC-DNVCBOLYSA-N 0 0 346.519 3.740 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)CCOCc1ccccc1 ZINC000285549038 563430452 /nfs/dbraw/zinc/43/04/52/563430452.db2.gz OPYLMBNIMTYDRX-ZJOUEHCJSA-N 0 0 345.483 3.526 10 0 EHAERN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccncc2)c1C ZINC000012836642 563675623 /nfs/dbraw/zinc/67/56/23/563675623.db2.gz UGVPIBHCTLRDHV-SFHVURJKSA-N 0 0 346.434 3.692 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000014981513 563769902 /nfs/dbraw/zinc/76/99/02/563769902.db2.gz XSSXKKZLDSOLKV-QGZVFWFLSA-N 0 0 345.874 3.679 10 0 EHAERN COc1cccc(C(=O)N(C[C@H]2COc3ccccc3C2)C(C)C)c1 ZINC000032985069 563920618 /nfs/dbraw/zinc/92/06/18/563920618.db2.gz MDPGWZVKOGLAKO-INIZCTEOSA-N 0 0 339.435 3.797 10 0 EHAERN CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1Cl ZINC000048573558 563930593 /nfs/dbraw/zinc/93/05/93/563930593.db2.gz WSQREPYJAPNIDC-IZOCETQSSA-N 0 0 328.799 3.924 10 0 EHAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000724113329 563963486 /nfs/dbraw/zinc/96/34/86/563963486.db2.gz YFXQIPAYSBDXNV-SCLBCKFNSA-N 0 0 336.501 3.804 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2C(F)(F)F)[C@@H](O)C1 ZINC000071790700 563965832 /nfs/dbraw/zinc/96/58/32/563965832.db2.gz DCGPFMBWRAEWML-JSGCOSHPSA-N 0 0 345.361 3.791 10 0 EHAERN Cc1nn(C)cc1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000189730465 564016484 /nfs/dbraw/zinc/01/64/84/564016484.db2.gz DVZCAKSJYXCRQX-HNNXBMFYSA-N 0 0 340.427 3.687 10 0 EHAERN Cc1cccc(N2CCC[C@H](C(=O)C(C)C)C2=O)c1Br ZINC000536951381 564091754 /nfs/dbraw/zinc/09/17/54/564091754.db2.gz USEDYXPEFMOTHD-GFCCVEGCSA-N 0 0 338.245 3.726 10 0 EHAERN Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CCC[C@@H](C)C1 ZINC000065230296 564103146 /nfs/dbraw/zinc/10/31/46/564103146.db2.gz NTBBFCKXUAMAOI-CYBMUJFWSA-N 0 0 346.496 3.900 10 0 EHAERN CC(C)c1[nH]nc(I)c1-c1cccc(F)c1 ZINC000675076208 564113296 /nfs/dbraw/zinc/11/32/96/564113296.db2.gz KUEPMZJJCCBKPP-UHFFFAOYSA-N 0 0 330.144 3.944 10 0 EHAERN CC(=O)N1c2ccccc2C(=O)O[C@@H]1c1ccc(Br)cc1 ZINC000048554627 564129399 /nfs/dbraw/zinc/12/93/99/564129399.db2.gz JARMUKAAWVIWPF-OAHLLOKOSA-N 0 0 346.180 3.671 10 0 EHAERN O=C1S/C(=C/c2nc3ccccc3[nH]2)C(=O)N1c1ccc(O)cc1 ZINC000008643207 564166186 /nfs/dbraw/zinc/16/61/86/564166186.db2.gz VKHMHKNGNAYMCY-NTEUORMPSA-N 0 0 337.360 3.509 10 0 EHAERN CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)c2ccc3c(c2)CCO3)C1(C)C ZINC000071796012 564175350 /nfs/dbraw/zinc/17/53/50/564175350.db2.gz RLCPWWCSGXBYPJ-MAUKXSAKSA-N 0 0 328.408 3.586 10 0 EHAERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccc(OCc2ccccc2)cc1 ZINC000381730517 564177692 /nfs/dbraw/zinc/17/76/92/564177692.db2.gz UTGIXLZEJWRNSI-MSOLQXFVSA-N 0 0 332.783 3.619 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c(Cl)n1 ZINC000182304863 1032088014 /nfs/dbraw/zinc/08/80/14/1032088014.db2.gz JAYZAYANZCQSQA-OCCSQVGLSA-N 0 0 330.815 3.646 10 0 EHAERN C[C@@]1(C(=O)N[C@H]2CCCOc3cc(F)ccc32)CC1(Cl)Cl ZINC000182822782 1032099408 /nfs/dbraw/zinc/09/94/08/1032099408.db2.gz JOYUJNWDMZPBAL-FZMZJTMJSA-N 0 0 332.202 3.740 10 0 EHAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000045083075 1014936183 /nfs/dbraw/zinc/93/61/83/1014936183.db2.gz RKQRTQISHKRPML-BZUAXINKSA-N 0 0 348.512 3.637 10 0 EHAERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@@H](C)c1cnn(C)c1)CC2 ZINC000188130402 1015650630 /nfs/dbraw/zinc/65/06/30/1015650630.db2.gz YYXSIBKLTYXGKA-LIRRHRJNSA-N 0 0 340.471 3.933 10 0 EHAERN C[C@H](NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1)C(C)(C)C ZINC000182847639 1032145413 /nfs/dbraw/zinc/14/54/13/1032145413.db2.gz KOTUFNWGUOPTPT-LBPRGKRZSA-N 0 0 348.422 3.542 10 0 EHAERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000407980649 1016685071 /nfs/dbraw/zinc/68/50/71/1016685071.db2.gz NGOQVWFIZYNIPK-OCABNYQQSA-N 0 0 344.455 3.815 10 0 EHAERN CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180883187 1016906927 /nfs/dbraw/zinc/90/69/27/1016906927.db2.gz XQMZCGCKONOSGA-HRCADAONSA-N 0 0 338.398 3.673 10 0 EHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCO[C@@H]2C2CC2)o1 ZINC000408015014 1016922033 /nfs/dbraw/zinc/92/20/33/1016922033.db2.gz ZBHRIXBNBSUEHU-XYJFISCASA-N 0 0 332.444 3.782 10 0 EHAERN O=C(CC1CCC(C(F)(F)F)CC1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183225100 1032184047 /nfs/dbraw/zinc/18/40/47/1032184047.db2.gz NIVXCTYIXYCQDR-WXRRBKDZSA-N 0 0 344.381 3.617 10 0 EHAERN c1sc(C2CCCC2)nc1CN1CCCN(c2ccccn2)CC1 ZINC000183823788 1032230514 /nfs/dbraw/zinc/23/05/14/1032230514.db2.gz VEZJZKOHDVZRIS-UHFFFAOYSA-N 0 0 342.512 3.908 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccncc3F)C2)cc1 ZINC000184148239 1032258896 /nfs/dbraw/zinc/25/88/96/1032258896.db2.gz GFCWFMRUPXUEPH-TZMCWYRMSA-N 0 0 329.375 3.639 10 0 EHAERN COc1ccc(C[C@H](C)Nc2cccc3c2OCC[C@@H]3O)cc1OC ZINC000184572309 1032296467 /nfs/dbraw/zinc/29/64/67/1032296467.db2.gz DTIHXLWFOLETOJ-GUYCJALGSA-N 0 0 343.423 3.563 10 0 EHAERN CCC(CC)c1cc(C(=O)Nc2cccc3c2OCC[C@H]3O)on1 ZINC000185330384 1032379471 /nfs/dbraw/zinc/37/94/71/1032379471.db2.gz DHVDTALSHHATPN-OAHLLOKOSA-N 0 0 330.384 3.646 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CSC(C)(C)C)C2)c1 ZINC000081639322 1032616540 /nfs/dbraw/zinc/61/65/40/1032616540.db2.gz RDXMJYVYPVBXNA-CYBMUJFWSA-N 0 0 337.485 3.551 10 0 EHAERN Cc1cccc(C)c1NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000182886734 1017201492 /nfs/dbraw/zinc/20/14/92/1017201492.db2.gz IDWMSTTXDVPLBS-UHFFFAOYSA-N 0 0 326.444 3.751 10 0 EHAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)no1 ZINC000052400060 1018795325 /nfs/dbraw/zinc/79/53/25/1018795325.db2.gz SUIZWVYFMCYSOJ-CQSZACIVSA-N 0 0 327.409 3.960 10 0 EHAERN Cc1c(NC(=O)N2CC[C@H]3CCC[C@@H]32)noc1-c1ccccc1F ZINC000333460651 1019619285 /nfs/dbraw/zinc/61/92/85/1019619285.db2.gz PNXYHRMCOXUHIB-DOMZBBRYSA-N 0 0 329.375 3.617 10 0 EHAERN O=C(NCc1cc(C2CC2)ccc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333518076 1019827599 /nfs/dbraw/zinc/82/75/99/1019827599.db2.gz NIQKGSSYTPKQHH-XLIONFOSSA-N 0 0 346.446 3.540 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cccc4c3OCCC4=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333522855 1019856106 /nfs/dbraw/zinc/85/61/06/1019856106.db2.gz OGKMLUZRSYBDKG-DINUWMAGSA-N 0 0 340.423 3.552 10 0 EHAERN C/C(=C/c1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000588397435 1020446388 /nfs/dbraw/zinc/44/63/88/1020446388.db2.gz PWFDHYZIMQSNIE-WBILKINKSA-N 0 0 346.434 3.856 10 0 EHAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000137320111 1032943137 /nfs/dbraw/zinc/94/31/37/1032943137.db2.gz AVERINMJDXVLEL-DZGCQCFKSA-N 0 0 345.468 3.912 10 0 EHAERN Cc1ccnn1-c1ccccc1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588428288 1021792497 /nfs/dbraw/zinc/79/24/97/1021792497.db2.gz DXFOKXRNOLTUNL-SREVYHEPSA-N 0 0 338.798 3.881 10 0 EHAERN C[C@H]1CC[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)c2ccccc21 ZINC000334043003 1021892562 /nfs/dbraw/zinc/89/25/62/1021892562.db2.gz OYRZIOMUCYXZQV-KBXCAEBGSA-N 0 0 338.455 3.517 10 0 EHAERN O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)N1CCCc2occc2C1 ZINC000334069728 1021956682 /nfs/dbraw/zinc/95/66/82/1021956682.db2.gz GHXXSDMPOZGLOJ-GOEBONIOSA-N 0 0 346.452 3.719 10 0 EHAERN O=S(=O)(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 ZINC000122970188 1022323141 /nfs/dbraw/zinc/32/31/41/1022323141.db2.gz OULKZLGMHGVMKR-QGZVFWFLSA-N 0 0 343.448 3.802 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(-c4ncon4)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333877454 1022721498 /nfs/dbraw/zinc/72/14/98/1022721498.db2.gz VSNQBQZUERNFQK-DFHZNHDVSA-N 0 0 338.411 3.637 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000588455529 1023070707 /nfs/dbraw/zinc/07/07/07/1023070707.db2.gz RCKVCBDPMPOYFV-SREVYHEPSA-N 0 0 339.826 3.897 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CC(C)(C)OC(C)(C)C2)c1 ZINC000190183038 1023175341 /nfs/dbraw/zinc/17/53/41/1023175341.db2.gz VFDIZAUZKSMPGX-UHFFFAOYSA-N 0 0 327.428 3.965 10 0 EHAERN Cc1csc([C@@H]2COCCN2C(=O)N[C@H](C)c2cc(C)oc2C)n1 ZINC000190149849 1023257038 /nfs/dbraw/zinc/25/70/38/1023257038.db2.gz FXINKFODYAFTNR-DOMZBBRYSA-N 0 0 349.456 3.505 10 0 EHAERN CN(C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nncs1 ZINC000588469457 1023594217 /nfs/dbraw/zinc/59/42/17/1023594217.db2.gz JKDGDAXRRRJVLS-UXBLZVDNSA-N 0 0 347.749 3.800 10 0 EHAERN Cc1csc2ncc(-c3nc(C4C[C@@H](C)C[C@H](C)C4)no3)c(=O)n12 ZINC000329646692 1023975998 /nfs/dbraw/zinc/97/59/98/1023975998.db2.gz DQCAITKBDKEKRE-UWVGGRQHSA-N 0 0 344.440 3.654 10 0 EHAERN Cc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)ccc1F ZINC000103025311 1024016958 /nfs/dbraw/zinc/01/69/58/1024016958.db2.gz JDJBIRIIOCCGMC-BDJLRTHQSA-N 0 0 326.371 3.981 10 0 EHAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCOc3ccccc32)C12CCCC2 ZINC000247459813 1024026619 /nfs/dbraw/zinc/02/66/19/1024026619.db2.gz QJDJUIQPPRUYDE-CGTJXYLNSA-N 0 0 344.455 3.547 10 0 EHAERN Cn1ncc2c1C[C@@H](c1nc(C(C)(C)C3CCCCC3)no1)CC2 ZINC000329700519 1024103076 /nfs/dbraw/zinc/10/30/76/1024103076.db2.gz ZVSJEZJWWIXJFL-ZDUSSCGKSA-N 0 0 328.460 3.934 10 0 EHAERN CCc1nnc(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)s1 ZINC000151452256 1024109752 /nfs/dbraw/zinc/10/97/52/1024109752.db2.gz GCSFHSVTTDNKRB-WCQYABFASA-N 0 0 346.456 3.519 10 0 EHAERN C[C@@H]1C[C@H](C(=O)Nc2ccccc2CN2CCNC2=O)CC(C)(C)C1 ZINC000182993973 1024156796 /nfs/dbraw/zinc/15/67/96/1024156796.db2.gz CAWHQAWBTKIYJA-ZBFHGGJFSA-N 0 0 343.471 3.613 10 0 EHAERN C[C@@H](c1nc(C2C[C@H](C)C[C@@H](C)C2)no1)n1nnnc1C(C)(C)C ZINC000329740810 1024171096 /nfs/dbraw/zinc/17/10/96/1024171096.db2.gz VOMUKJGJSQOORX-UTUOFQBUSA-N 0 0 332.452 3.503 10 0 EHAERN C[C@H]1CCCC[C@@H]1OCc1noc(C(F)(F)C2CCOCC2)n1 ZINC000329760588 1024182572 /nfs/dbraw/zinc/18/25/72/1024182572.db2.gz QIUOPHZNMYSJJW-AAEUAGOBSA-N 0 0 330.375 3.683 10 0 EHAERN CC(C)c1cnc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000192393928 1024243793 /nfs/dbraw/zinc/24/37/93/1024243793.db2.gz FMGLEEDOZLUALK-STQMWFEESA-N 0 0 333.461 3.768 10 0 EHAERN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1C ZINC000101735181 1024364394 /nfs/dbraw/zinc/36/43/94/1024364394.db2.gz SSCCEILOMHATBJ-INIZCTEOSA-N 0 0 345.487 3.708 10 0 EHAERN CC(C)CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000120023512 1033221661 /nfs/dbraw/zinc/22/16/61/1033221661.db2.gz PUJKMKJKHGAAGB-INIZCTEOSA-N 0 0 332.469 3.527 10 0 EHAERN CC(C)c1nnc([C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)CCO2)o1 ZINC000330344841 1025029729 /nfs/dbraw/zinc/02/97/29/1025029729.db2.gz DKRYXHSLHWSKKR-ILXRZTDVSA-N 0 0 349.475 3.555 10 0 EHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000280865535 1025121780 /nfs/dbraw/zinc/12/17/80/1025121780.db2.gz ACWXXXACHAMCDS-NMLBUPMWSA-N 0 0 342.483 3.789 10 0 EHAERN Cc1nn(C)c(C)c1CCNC(=O)C[C@H](c1ccccc1)C(C)C ZINC000102987578 1025563813 /nfs/dbraw/zinc/56/38/13/1025563813.db2.gz DRQWQWCQEUOAIQ-IBGZPJMESA-N 0 0 327.472 3.526 10 0 EHAERN CCCn1nccc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000102988510 1025564600 /nfs/dbraw/zinc/56/46/00/1025564600.db2.gz ZINWOIXMHHDCEC-ZDUSSCGKSA-N 0 0 325.334 3.968 10 0 EHAERN CCn1nccc1NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000329179675 1025647101 /nfs/dbraw/zinc/64/71/01/1025647101.db2.gz DBZNNTVNKSKATI-ZDUSSCGKSA-N 0 0 347.488 3.894 10 0 EHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc3nc[nH]c3cc2F)C12CCCC2 ZINC000329345573 1025770100 /nfs/dbraw/zinc/77/01/00/1025770100.db2.gz BZLVXDUIPXOMMU-SJORKVTESA-N 0 0 345.418 3.512 10 0 EHAERN CC(C)(C)c1cc(NC(=O)N2C[C@H]3CCC[C@H]32)n(-c2ccccn2)n1 ZINC000329399993 1025812047 /nfs/dbraw/zinc/81/20/47/1025812047.db2.gz AYMVQVQEAKZBME-ZIAGYGMSSA-N 0 0 339.443 3.581 10 0 EHAERN Cc1nnc([C@H](NC(=O)CCCSC(C)(C)C)c2ccccc2)[nH]1 ZINC000152392587 1025837174 /nfs/dbraw/zinc/83/71/74/1025837174.db2.gz NDGLXQDSYCVJFA-MRXNPFEDSA-N 0 0 346.500 3.631 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C(C)=O)cc3)C2)cc1 ZINC000121946184 1026054004 /nfs/dbraw/zinc/05/40/04/1026054004.db2.gz BRCYGXPWGMSMPM-IFXJQAMLSA-N 0 0 337.419 3.916 10 0 EHAERN Cc1cccc([C@H]2CCCN2C(=O)CCc2nc3c(cccc3C)[nH]2)n1 ZINC000167052055 1026111866 /nfs/dbraw/zinc/11/18/66/1026111866.db2.gz QOLJFVRTWPRYRT-GOSISDBHSA-N 0 0 348.450 3.871 10 0 EHAERN Cn1nccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000103853029 1026119054 /nfs/dbraw/zinc/11/90/54/1026119054.db2.gz JTLLATWKLCLBEP-KRWDZBQOSA-N 0 0 346.862 3.804 10 0 EHAERN C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)c1cccc(Cl)c1 ZINC000103939533 1026143485 /nfs/dbraw/zinc/14/34/85/1026143485.db2.gz FQOCNJHKVUFGFK-MNOVXSKESA-N 0 0 344.798 3.550 10 0 EHAERN Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000152530055 1026288418 /nfs/dbraw/zinc/28/84/18/1026288418.db2.gz SHRBAWAGVMCRFD-RISCZKNCSA-N 0 0 333.457 3.648 10 0 EHAERN COc1ccc(NC(=O)N(C)CCc2ccccc2OC)cc1F ZINC000105002887 1026488886 /nfs/dbraw/zinc/48/88/86/1026488886.db2.gz ACLSWCQXZWRVJW-UHFFFAOYSA-N 0 0 332.375 3.549 10 0 EHAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC(C)(C)C1 ZINC000248410415 1026525352 /nfs/dbraw/zinc/52/53/52/1026525352.db2.gz GZKCYLJATRQSTF-BMFZPTHFSA-N 0 0 344.503 3.851 10 0 EHAERN CC[C@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1ccccc1OC ZINC000168027269 1026650246 /nfs/dbraw/zinc/65/02/46/1026650246.db2.gz AFNQXBKKWVHUQH-HOTGVXAUSA-N 0 0 328.460 3.986 10 0 EHAERN CC[C@@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccccc1OC ZINC000168027171 1026651495 /nfs/dbraw/zinc/65/14/95/1026651495.db2.gz AFNQXBKKWVHUQH-HZPDHXFCSA-N 0 0 328.460 3.986 10 0 EHAERN Fc1ccccc1NC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000301404688 1026793637 /nfs/dbraw/zinc/79/36/37/1026793637.db2.gz FQIUDURZPVPAQK-UHFFFAOYSA-N 0 0 340.324 3.715 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3cccc4c(C)c(C)[nH]c43)CCO2)o1 ZINC000127053666 1027269049 /nfs/dbraw/zinc/26/90/49/1027269049.db2.gz WOKPFNJSMWGJGQ-GOSISDBHSA-N 0 0 338.407 3.900 10 0 EHAERN CC(=O)Nc1ccc(CNC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000045612744 1027328695 /nfs/dbraw/zinc/32/86/95/1027328695.db2.gz VBFJFWFTSOXLEN-UHFFFAOYSA-N 0 0 349.434 3.644 10 0 EHAERN Fc1ccccc1C1=CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000127726713 1027345971 /nfs/dbraw/zinc/34/59/71/1027345971.db2.gz KDNANAMUHXFZKV-UHFFFAOYSA-N 0 0 338.430 3.919 10 0 EHAERN O=C(/C=C/c1ccc(Cl)nc1)N1CCC[C@@H](c2nccs2)C1 ZINC000128614185 1027458652 /nfs/dbraw/zinc/45/86/52/1027458652.db2.gz UVPDHOPLEUTDMU-DIECRNLCSA-N 0 0 333.844 3.611 10 0 EHAERN Cc1ccccc1NC(=O)CN1CCC(Nc2ccccc2F)CC1 ZINC000129026130 1027512820 /nfs/dbraw/zinc/51/28/20/1027512820.db2.gz XKGQKAAIVOAYRU-UHFFFAOYSA-N 0 0 341.430 3.649 10 0 EHAERN O=C(Nc1cccc(-n2ccnn2)c1)N1CC=C(c2ccccc2)CC1 ZINC000130261219 1027652791 /nfs/dbraw/zinc/65/27/91/1027652791.db2.gz IMJOJNQAUIJYNN-UHFFFAOYSA-N 0 0 345.406 3.589 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333567478 1027676068 /nfs/dbraw/zinc/67/60/68/1027676068.db2.gz XLHQZRVDCVCDAG-DPNDMPAOSA-N 0 0 328.460 3.754 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000246128757 1027790491 /nfs/dbraw/zinc/79/04/91/1027790491.db2.gz QGXZGEGMDMZGCW-VCTAVGKDSA-N 0 0 337.297 3.793 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(SC(F)F)cc1 ZINC000246171847 1027905468 /nfs/dbraw/zinc/90/54/68/1027905468.db2.gz RRTOXZXGSWAYAY-MGPQQGTHSA-N 0 0 339.407 3.689 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H]3SCCc4sccc43)CCO2)o1 ZINC000133347953 1028022936 /nfs/dbraw/zinc/02/29/36/1028022936.db2.gz PCYXPUXVKFBKQV-GDBMZVCRSA-N 0 0 349.477 3.580 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C)n(C(C)C)c3C)CCO2)o1 ZINC000133626052 1028048784 /nfs/dbraw/zinc/04/87/84/1028048784.db2.gz DZLYVVMBQBOTDN-SFHVURJKSA-N 0 0 330.428 3.801 10 0 EHAERN COc1cc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)ccc1F ZINC000153548637 1028155472 /nfs/dbraw/zinc/15/54/72/1028155472.db2.gz QKLOIKAFZQNBDL-KPZWWZAWSA-N 0 0 340.402 3.701 10 0 EHAERN O=C(c1ccc(Cl)nc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000066458025 1028324615 /nfs/dbraw/zinc/32/46/15/1028324615.db2.gz LCVMRGITTRFLIC-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN CC(C)Oc1ccccc1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048033 1028354005 /nfs/dbraw/zinc/35/40/05/1028354005.db2.gz IAYODJDIKQTGGG-INIZCTEOSA-N 0 0 344.480 3.879 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000068229057 1028389474 /nfs/dbraw/zinc/38/94/74/1028389474.db2.gz JJYWUHKJJOUUPP-INIZCTEOSA-N 0 0 335.403 3.582 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000062130833 1028441292 /nfs/dbraw/zinc/44/12/92/1028441292.db2.gz LOSCEUIZIKLYGE-UHFFFAOYSA-N 0 0 325.456 3.669 10 0 EHAERN CN1C(=O)Cc2cc(NC(=O)N3CC=C(c4ccccc4)CC3)ccc21 ZINC000194097889 1028490783 /nfs/dbraw/zinc/49/07/83/1028490783.db2.gz GKLIPBOOIIKJCW-UHFFFAOYSA-N 0 0 347.418 3.527 10 0 EHAERN CC[C@H](NC(=O)C1CCN(c2ccc(C)cn2)CC1)c1cccs1 ZINC000194188896 1028499594 /nfs/dbraw/zinc/49/95/94/1028499594.db2.gz NRBJIJTYUCLYLY-INIZCTEOSA-N 0 0 343.496 3.935 10 0 EHAERN C[C@H]1CN(Cc2cnc(Cl)s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246448354 1028529203 /nfs/dbraw/zinc/52/92/03/1028529203.db2.gz FBXNRVUYMOMABN-HZMBPMFUSA-N 0 0 326.824 3.898 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000194690953 1028534096 /nfs/dbraw/zinc/53/40/96/1028534096.db2.gz CYFWTCWXPLYWBB-CQSZACIVSA-N 0 0 330.819 3.762 10 0 EHAERN CC(C)c1noc([C@H](C)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246509238 1028640729 /nfs/dbraw/zinc/64/07/29/1028640729.db2.gz ICCKBYVOLGMYED-IAOVAPTHSA-N 0 0 347.434 3.981 10 0 EHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H]3C3CCC3)cc2)CCO1 ZINC000246661734 1028676378 /nfs/dbraw/zinc/67/63/78/1028676378.db2.gz FGCMSQJMGCYXPO-BEFAXECRSA-N 0 0 343.471 3.708 10 0 EHAERN CSc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246716973 1028679973 /nfs/dbraw/zinc/67/99/73/1028679973.db2.gz NNNAEEVSYPUUBX-ARFHVFGLSA-N 0 0 332.469 3.878 10 0 EHAERN CCO[C@@H](C)c1nc(CN2CCO[C@@H](c3ccc(C)o3)C2)cs1 ZINC000246778104 1028689091 /nfs/dbraw/zinc/68/90/91/1028689091.db2.gz PEPBVDLCZXFCGO-XJKSGUPXSA-N 0 0 336.457 3.716 10 0 EHAERN C[C@]1(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1(Cl)Cl ZINC000245392328 1028705760 /nfs/dbraw/zinc/70/57/60/1028705760.db2.gz SWEFFQRJIOKKMV-VNHYZAJKSA-N 0 0 328.239 3.607 10 0 EHAERN CCCCc1noc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000246885817 1028708611 /nfs/dbraw/zinc/70/86/11/1028708611.db2.gz QSWVZTXQBKMVKT-IAGOWNOFSA-N 0 0 347.434 3.639 10 0 EHAERN CC(C)(C)c1nc(CC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cs1 ZINC000247108216 1028745963 /nfs/dbraw/zinc/74/59/63/1028745963.db2.gz YUKMPUMOXGDWID-JFIYKMOQSA-N 0 0 340.492 3.685 10 0 EHAERN Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246932656 1028747318 /nfs/dbraw/zinc/74/73/18/1028747318.db2.gz KYBJLUXRWQOQJD-QWFCFKBJSA-N 0 0 344.414 3.966 10 0 EHAERN C[C@H](O)c1ccc(CNC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1 ZINC000247237542 1028763243 /nfs/dbraw/zinc/76/32/43/1028763243.db2.gz OKRDESJBFYXKDN-GUXCAODWSA-N 0 0 338.451 3.828 10 0 EHAERN O=C(Nc1cccc(COCC2CC2)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247292509 1028771713 /nfs/dbraw/zinc/77/17/13/1028771713.db2.gz HLIKFUXAYLDUMH-OTWHNJEPSA-N 0 0 344.455 3.692 10 0 EHAERN Cc1csc(-c2cccc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2)n1 ZINC000247561986 1028802760 /nfs/dbraw/zinc/80/27/60/1028802760.db2.gz RTNPIDSHRGIDRF-BBWFWOEESA-N 0 0 342.464 3.806 10 0 EHAERN O=C(Nc1ccccc1CC(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247637697 1028806137 /nfs/dbraw/zinc/80/61/37/1028806137.db2.gz VIPYLSVHYRVGOP-NWANDNLSSA-N 0 0 342.361 3.871 10 0 EHAERN Cc1ccc2c(CC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)coc2c1C ZINC000247670197 1028808387 /nfs/dbraw/zinc/80/83/87/1028808387.db2.gz YMHSQBLJUPUGMW-RCCFBDPRSA-N 0 0 327.424 3.666 10 0 EHAERN O=C(CSc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247669471 1028809020 /nfs/dbraw/zinc/80/90/20/1028809020.db2.gz YJJDPEVUKXRNNI-ZNMIVQPWSA-N 0 0 325.861 3.506 10 0 EHAERN O=C(Nc1ccc(-c2nccs2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247674710 1028809375 /nfs/dbraw/zinc/80/93/75/1028809375.db2.gz YZJPSROZWRDUQK-XHSDSOJGSA-N 0 0 343.452 3.889 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CC=C(c2cccs2)CC1 ZINC000247666457 1028810300 /nfs/dbraw/zinc/81/03/00/1028810300.db2.gz YCJMXWGJEXLPME-XHSDSOJGSA-N 0 0 332.469 3.504 10 0 EHAERN CCN(C(C)=O)c1nc(CN2C[C@H](C)[C@H]2c2ccccc2)cs1 ZINC000248345609 1028866361 /nfs/dbraw/zinc/86/63/61/1028866361.db2.gz MYSVSJMIBAQVIO-GUYCJALGSA-N 0 0 329.469 3.709 10 0 EHAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000248371425 1028869410 /nfs/dbraw/zinc/86/94/10/1028869410.db2.gz YPTLYJCJOVXNSO-VXNCWWDNSA-N 0 0 335.451 3.829 10 0 EHAERN O[C@@H](CN1CCO[C@@H](c2ccsc2)C1)c1ccc(F)cc1Cl ZINC000248539694 1028884711 /nfs/dbraw/zinc/88/47/11/1028884711.db2.gz AVQKWLJFMZXRNQ-JKSUJKDBSA-N 0 0 341.835 3.648 10 0 EHAERN O[C@H](CN1CCO[C@@H](c2cccs2)C1)c1ccc(F)cc1Cl ZINC000248543210 1028886036 /nfs/dbraw/zinc/88/60/36/1028886036.db2.gz CWMBPSYAZFFEGR-HUUCEWRRSA-N 0 0 341.835 3.648 10 0 EHAERN CC1(C)[C@H](Nc2cccc(C(=O)N3CCCCC3)c2)[C@@H]2CCCO[C@H]21 ZINC000245607702 1028916846 /nfs/dbraw/zinc/91/68/46/1028916846.db2.gz SSFAHWINAPJKFX-IPMKNSEASA-N 0 0 342.483 3.928 10 0 EHAERN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000248634381 1028931242 /nfs/dbraw/zinc/93/12/42/1028931242.db2.gz XJHCTWVCWGNNBC-SOUVJXGZSA-N 0 0 329.444 3.686 10 0 EHAERN O=C1[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000248734594 1028944993 /nfs/dbraw/zinc/94/49/93/1028944993.db2.gz BNFIKWMCDXWHLG-WDSOQIARSA-N 0 0 332.403 3.921 10 0 EHAERN CCOCCOCc1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245650447 1028973813 /nfs/dbraw/zinc/97/38/13/1028973813.db2.gz AQCKSYSEGFUNDZ-XUVXKRRUSA-N 0 0 345.483 3.999 10 0 EHAERN COC(=O)[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C[C@H]1C ZINC000249073857 1028981911 /nfs/dbraw/zinc/98/19/11/1028981911.db2.gz LKGYVKUFELGJRA-CHWSQXEVSA-N 0 0 348.830 3.626 10 0 EHAERN O=C(Nc1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1)C1CC1 ZINC000245639906 1028985818 /nfs/dbraw/zinc/98/58/18/1028985818.db2.gz YHFJFJYWUKTGQH-RCCFBDPRSA-N 0 0 326.440 3.795 10 0 EHAERN O=C(Nc1ccccc1SC(F)F)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251912501 1029168171 /nfs/dbraw/zinc/16/81/71/1029168171.db2.gz RUIMLRGKGGTYPN-WCQGTBRESA-N 0 0 328.384 3.690 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1Cl ZINC000245794055 1029310729 /nfs/dbraw/zinc/31/07/29/1029310729.db2.gz JCPMFMLCKOUNKX-ZLKJLUDKSA-N 0 0 326.223 3.681 10 0 EHAERN CCO[C@@H]1C[C@@H](N[C@@H](c2nnc(C)[nH]2)c2ccccc2)C12CCCC2 ZINC000245874706 1029406662 /nfs/dbraw/zinc/40/66/62/1029406662.db2.gz JYLOHQKLLKVWOK-KZNAEPCWSA-N 0 0 340.471 3.530 10 0 EHAERN C[C@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155499407 1029556852 /nfs/dbraw/zinc/55/68/52/1029556852.db2.gz BYQFTQGQYGOREZ-HOCLYGCPSA-N 0 0 335.517 3.937 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cn1 ZINC000152658429 1029781659 /nfs/dbraw/zinc/78/16/59/1029781659.db2.gz QIEPGOFGYHNNJX-MSOLQXFVSA-N 0 0 338.455 3.689 10 0 EHAERN O=C(c1cccc(Cl)n1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089763090 1029986181 /nfs/dbraw/zinc/98/61/81/1029986181.db2.gz QXZWGJRIXYBCEQ-CYBMUJFWSA-N 0 0 337.206 3.682 10 0 EHAERN C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)c1ccncc1 ZINC000157214193 1030375016 /nfs/dbraw/zinc/37/50/16/1030375016.db2.gz HZNNPYJBDXOMED-OAHLLOKOSA-N 0 0 332.407 3.704 10 0 EHAERN c1csc(Cn2cccc2CN2CCO[C@H](c3nccs3)C2)c1 ZINC000092831274 1030527415 /nfs/dbraw/zinc/52/74/15/1030527415.db2.gz QIYLJJQIZRYFOA-INIZCTEOSA-N 0 0 345.493 3.628 10 0 EHAERN C[C@H]1C[C@@H]1c1ccc(CN2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385844 1030597332 /nfs/dbraw/zinc/59/73/32/1030597332.db2.gz HRSKNTIBDTZNRS-HOCLYGCPSA-N 0 0 344.480 3.813 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Oc1ccc([C@@H]2CCOC2)cc1 ZINC000588581958 1030641229 /nfs/dbraw/zinc/64/12/29/1030641229.db2.gz UKMBXRTWZUCRCB-UILAEWCASA-N 0 0 348.395 3.709 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000093793857 1030676696 /nfs/dbraw/zinc/67/66/96/1030676696.db2.gz AZSWXDKXWBESKM-AWEZNQCLSA-N 0 0 334.435 3.705 10 0 EHAERN CCOc1cc(CN2CCO[C@@H](c3ccc(C)o3)C2)ccc1OC ZINC000093864814 1030687148 /nfs/dbraw/zinc/68/71/48/1030687148.db2.gz LUOSWXHMYBBOLD-LJQANCHMSA-N 0 0 331.412 3.569 10 0 EHAERN COc1cccc(Cl)c1CNC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588582356 1030701037 /nfs/dbraw/zinc/70/10/37/1030701037.db2.gz CSVZEMWGIHEBGD-WAYWQWQTSA-N 0 0 337.206 3.727 10 0 EHAERN O=C(CSc1ccccc1)N1CCC(Cc2ccccn2)CC1 ZINC000171616831 1030766417 /nfs/dbraw/zinc/76/64/17/1030766417.db2.gz BAAWRKSGSVVWOM-UHFFFAOYSA-N 0 0 326.465 3.655 10 0 EHAERN COc1ccccc1/C=C/C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171645823 1030771311 /nfs/dbraw/zinc/77/13/11/1030771311.db2.gz LJLJWRDLUHMYQP-HVHJFMEUSA-N 0 0 328.437 3.571 10 0 EHAERN O=C(NCc1cc(F)cc(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000172223238 1030874620 /nfs/dbraw/zinc/87/46/20/1030874620.db2.gz UWJXFTCTOHWDKD-GFCCVEGCSA-N 0 0 337.395 3.511 10 0 EHAERN C[C@@H]1CC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@@H](C)C1 ZINC000172475920 1030962715 /nfs/dbraw/zinc/96/27/15/1030962715.db2.gz QPTITDQXPBIXRL-KBPBESRZSA-N 0 0 348.512 3.541 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)cc1OC(F)F ZINC000172725031 1030986322 /nfs/dbraw/zinc/98/63/22/1030986322.db2.gz CZURTVOUSQTQKR-VFZGTOFNSA-N 0 0 337.297 3.930 10 0 EHAERN CC(=O)c1ccccc1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000172768014 1030994929 /nfs/dbraw/zinc/99/49/29/1030994929.db2.gz QKXGLXAUZUJHCU-UHFFFAOYSA-N 0 0 328.437 3.674 10 0 EHAERN O=C(CCCC1CCCC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000173126056 1031075679 /nfs/dbraw/zinc/07/56/79/1031075679.db2.gz RTKHMPJYCMDLBO-UHFFFAOYSA-N 0 0 348.531 3.988 10 0 EHAERN COc1ccc(F)cc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174074354 1031162908 /nfs/dbraw/zinc/16/29/08/1031162908.db2.gz XOCPVFDLHKFIIC-UHFFFAOYSA-N 0 0 346.377 3.690 10 0 EHAERN CC[C@H](OC1CCCC1)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174089421 1031162955 /nfs/dbraw/zinc/16/29/55/1031162955.db2.gz DSNMWUSNYHWPQF-IBGZPJMESA-N 0 0 348.462 3.966 10 0 EHAERN C[C@@H](Oc1ccccc1)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174086136 1031164205 /nfs/dbraw/zinc/16/42/05/1031164205.db2.gz HEPUHPLFGOZORT-OAHLLOKOSA-N 0 0 342.414 3.696 10 0 EHAERN C[C@@H]1CCCC[C@@H]1OCc1noc(Cc2ccc3c(c2)NC(=O)C3)n1 ZINC000329583746 1031212338 /nfs/dbraw/zinc/21/23/38/1031212338.db2.gz QQWIAMVAQVNKJO-WBMJQRKESA-N 0 0 341.411 3.900 10 0 EHAERN Cc1ccc([C@H]2CSCCN2C(=O)N[C@H](C)c2ccncc2)cc1 ZINC000116521651 1031213324 /nfs/dbraw/zinc/21/33/24/1031213324.db2.gz NXFQQKCCBHUDNG-CRAIPNDOSA-N 0 0 341.480 3.951 10 0 EHAERN O=C(c1ncncc1Cl)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000175299306 1031323448 /nfs/dbraw/zinc/32/34/48/1031323448.db2.gz RXVQXVSSUOYZQG-QGZVFWFLSA-N 0 0 349.821 3.918 10 0 EHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000175438311 1031334338 /nfs/dbraw/zinc/33/43/38/1031334338.db2.gz NUPFUDSPXJNTNQ-SIFCLUCFSA-N 0 0 347.418 3.614 10 0 EHAERN CCc1nnc(-c2ccc(NC(=O)[C@H]3Oc4ccccc4[C@H]3C)cc2)o1 ZINC000175810134 1031383512 /nfs/dbraw/zinc/38/35/12/1031383512.db2.gz KAYGWYVMIOUKOK-XIKOKIGWSA-N 0 0 349.390 3.802 10 0 EHAERN O=C(CCCc1nc(C2CC2)no1)N1CC=C(c2ccccc2)CC1 ZINC000158541070 1031428178 /nfs/dbraw/zinc/42/81/78/1031428178.db2.gz ZHXGPMVJPHVLJK-UHFFFAOYSA-N 0 0 337.423 3.586 10 0 EHAERN O=C(c1occc1Br)N1CC=C(c2ccccc2)CC1 ZINC000176477703 1031442366 /nfs/dbraw/zinc/44/23/66/1031442366.db2.gz LCTLDVHPWLDUIN-UHFFFAOYSA-N 0 0 332.197 3.972 10 0 EHAERN C[C@@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000249295342 1031601633 /nfs/dbraw/zinc/60/16/33/1031601633.db2.gz CNMCQPZGODFGAZ-FMKPAKJESA-N 0 0 332.444 3.739 10 0 EHAERN CC(C)Sc1ccccc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178549792 1031679055 /nfs/dbraw/zinc/67/90/55/1031679055.db2.gz YDDZXNGZMXNSRE-FUHWJXTLSA-N 0 0 327.449 3.575 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N3CCCC[C@@H]3C(C)C)CC2)n1 ZINC000117498802 1031716905 /nfs/dbraw/zinc/71/69/05/1031716905.db2.gz KLBKXANTPLPRKH-GOSISDBHSA-N 0 0 344.503 3.579 10 0 EHAERN COc1cc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(OC)cc1Cl ZINC000117573405 1031757363 /nfs/dbraw/zinc/75/73/63/1031757363.db2.gz PQDIBILDZLWEQF-BMLIUANNSA-N 0 0 347.798 3.860 10 0 EHAERN COc1ccc(OC(F)F)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117611049 1031778155 /nfs/dbraw/zinc/77/81/55/1031778155.db2.gz WEERCIQTSPTGRV-HWPZZCPQSA-N 0 0 349.333 3.800 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117653736 1031787490 /nfs/dbraw/zinc/78/74/90/1031787490.db2.gz VEKYBFQYIDRXCM-YJYMSZOUSA-N 0 0 341.407 3.986 10 0 EHAERN Cc1cc2ncc([C@@H](C)Nc3ccc4c(c3)CCCC(=O)N4)c(C)n2n1 ZINC000179812291 1031812744 /nfs/dbraw/zinc/81/27/44/1031812744.db2.gz JNPCGHHFCZVKJC-CYBMUJFWSA-N 0 0 349.438 3.794 10 0 EHAERN O=C([C@H]1C[C@@]12CCOc1ccccc12)N1CCC(=O)Nc2ccccc21 ZINC000329703670 1031870539 /nfs/dbraw/zinc/87/05/39/1031870539.db2.gz ILJPQAAQGDUMSM-QVKFZJNVSA-N 0 0 348.402 3.752 10 0 EHAERN CC[C@H](C)Oc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccn1 ZINC000180250801 1031872344 /nfs/dbraw/zinc/87/23/44/1031872344.db2.gz FVGKTDLEXGGLKJ-DZGCQCFKSA-N 0 0 345.468 3.735 10 0 EHAERN CC(C)[C@H]1CC[C@H](c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)CC1 ZINC000329703123 1031884117 /nfs/dbraw/zinc/88/41/17/1031884117.db2.gz IDWCVQMFCXMNAW-VQHPVUNQSA-N 0 0 333.476 3.925 10 0 EHAERN CCCc1cnc(NC(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000180825030 1031914502 /nfs/dbraw/zinc/91/45/02/1031914502.db2.gz GELWEXNUWBSPIG-LLVKDONJSA-N 0 0 336.486 3.964 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@@H]1c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000329738335 1032037792 /nfs/dbraw/zinc/03/77/92/1032037792.db2.gz UFWFQQMLUDFJDD-AOLWHUPESA-N 0 0 345.830 3.530 10 0 EHAERN CCC(=O)c1ccc(OCC(=O)N(CC)c2ccc(F)c(F)c2)cc1 ZINC000105909642 1033518004 /nfs/dbraw/zinc/51/80/04/1033518004.db2.gz SYYDHGPKSBPETL-UHFFFAOYSA-N 0 0 347.361 3.989 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1nc(Cl)ccc1Cl ZINC000101525867 1033734705 /nfs/dbraw/zinc/73/47/05/1033734705.db2.gz HZKNKBUZFMQHLL-UHFFFAOYSA-N 0 0 335.150 3.691 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3nc(C)cs3)C2)cc1 ZINC000120821500 1034176317 /nfs/dbraw/zinc/17/63/17/1034176317.db2.gz UISGLQHLDOCDSG-OCCSQVGLSA-N 0 0 331.441 3.870 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc[nH]c3=S)C2)cc1 ZINC000121304227 1034813399 /nfs/dbraw/zinc/81/33/99/1034813399.db2.gz ZHMBWTNEZSDYFB-GXTWGEPZSA-N 0 0 328.437 3.771 10 0 EHAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccsc2)C1 ZINC000121335371 1034836382 /nfs/dbraw/zinc/83/63/82/1034836382.db2.gz GCWZSTSAIVIXSW-GJZGRUSLSA-N 0 0 344.436 3.559 10 0 EHAERN O=C(CCCc1nc2ccccc2s1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000121366619 1034846349 /nfs/dbraw/zinc/84/63/49/1034846349.db2.gz LDOCGHAIPMPYLK-ZBFHGGJFSA-N 0 0 344.480 3.647 10 0 EHAERN O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000185941327 1035543470 /nfs/dbraw/zinc/54/34/70/1035543470.db2.gz HYRPFGMVFMBBCM-RTBURBONSA-N 0 0 348.406 3.728 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)/C=C/c2ccc3ccccc3c2)cn1 ZINC000186191334 1035599313 /nfs/dbraw/zinc/59/93/13/1035599313.db2.gz GZQWIXHNRDPLLQ-BQYDLMEBSA-N 0 0 331.419 3.950 10 0 EHAERN CCC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186581112 1035662580 /nfs/dbraw/zinc/66/25/80/1035662580.db2.gz BQSULKUKGBFDDE-ZDUSSCGKSA-N 0 0 330.432 3.708 10 0 EHAERN CC(C)CC(C)(C)CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186675374 1035685304 /nfs/dbraw/zinc/68/53/04/1035685304.db2.gz OFBZMYPMDROUEK-UHFFFAOYSA-N 0 0 332.448 3.858 10 0 EHAERN COc1cc(C)c(C(=O)N2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000187051927 1035745820 /nfs/dbraw/zinc/74/58/20/1035745820.db2.gz YXBFYIFZJBRIMI-HNNXBMFYSA-N 0 0 346.452 3.754 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000129091595 1035884496 /nfs/dbraw/zinc/88/44/96/1035884496.db2.gz KJJLPBRWISMCKA-SNVBAGLBSA-N 0 0 343.383 3.514 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc(O)cc1Cl ZINC000188108184 1035900568 /nfs/dbraw/zinc/90/05/68/1035900568.db2.gz AXNOCRCZONWZEA-INIZCTEOSA-N 0 0 331.799 3.537 10 0 EHAERN CCc1ccccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188389080 1035917698 /nfs/dbraw/zinc/91/76/98/1035917698.db2.gz PFKPWOPHICLJFG-UHFFFAOYSA-N 0 0 330.457 3.814 10 0 EHAERN Cc1cnccc1CNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000188239126 1035923301 /nfs/dbraw/zinc/92/33/01/1035923301.db2.gz FJIMJPBVJMYULA-UHFFFAOYSA-N 0 0 325.387 3.528 10 0 EHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc2c(c1)NC(=O)C2 ZINC000188416298 1035934284 /nfs/dbraw/zinc/93/42/84/1035934284.db2.gz ZUUDIKOJSLHKNP-UHFFFAOYSA-N 0 0 343.386 3.804 10 0 EHAERN CN1Cc2cc(N[C@@H](c3ncc[nH]3)c3ccccc3)ccc2NC1=O ZINC000188486506 1035942677 /nfs/dbraw/zinc/94/26/77/1035942677.db2.gz MIRQEDZPIZORQT-QGZVFWFLSA-N 0 0 333.395 3.589 10 0 EHAERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188530264 1035948757 /nfs/dbraw/zinc/94/87/57/1035948757.db2.gz WJIFVYFNEOEXCA-WMLDXEAASA-N 0 0 334.419 3.508 10 0 EHAERN C[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)[C@@H]1c1cccc(F)c1 ZINC000188607165 1035963762 /nfs/dbraw/zinc/96/37/62/1035963762.db2.gz MDHWJKGIMMMVOK-BLVKFPJESA-N 0 0 338.382 3.544 10 0 EHAERN COCc1cccc(NC(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000188631688 1035965209 /nfs/dbraw/zinc/96/52/09/1035965209.db2.gz GJMRZNMLDPBZOI-KRWDZBQOSA-N 0 0 326.396 3.787 10 0 EHAERN Cc1cc(C(=O)N2CC(C(C)(C)C)C2)c(C)n1Cc1ccncc1 ZINC000457349097 1036016472 /nfs/dbraw/zinc/01/64/72/1036016472.db2.gz YUZQFRRORPXHRP-UHFFFAOYSA-N 0 0 325.456 3.666 10 0 EHAERN Cc1nnc([C@@H](NCc2ccc(Cl)cc2F)c2ccccc2)[nH]1 ZINC000189311040 1036056279 /nfs/dbraw/zinc/05/62/79/1036056279.db2.gz YPLVYDHIQSIKOI-INIZCTEOSA-N 0 0 330.794 3.785 10 0 EHAERN Cc1nnc([C@@H](NCc2ccc3nc(C)ccc3c2)c2ccccc2)[nH]1 ZINC000189311070 1036056739 /nfs/dbraw/zinc/05/67/39/1036056739.db2.gz FMCKRLLKTJJIFC-FQEVSTJZSA-N 0 0 343.434 3.849 10 0 EHAERN O=C(c1cc2sccc2[nH]1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000189345897 1036059347 /nfs/dbraw/zinc/05/93/47/1036059347.db2.gz RFMAGEYBNNQJAD-IBGZPJMESA-N 0 0 338.432 3.544 10 0 EHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)Nc2ccsc2Cl)C1 ZINC000189356631 1036060734 /nfs/dbraw/zinc/06/07/34/1036060734.db2.gz WIZOWOUMZNCUHI-LLVKDONJSA-N 0 0 338.864 3.622 10 0 EHAERN COc1cccc2c1OC[C@@H](NC(=O)Nc1ccsc1Cl)C2 ZINC000189391540 1036063211 /nfs/dbraw/zinc/06/32/11/1036063211.db2.gz JZXVZUUWPHWWNL-JTQLQIEISA-N 0 0 338.816 3.535 10 0 EHAERN C[C@]1(CNC(=O)N2CC3(CCOCC3)c3ccccc32)CCCS1 ZINC000189552134 1036087240 /nfs/dbraw/zinc/08/72/40/1036087240.db2.gz QIBMIEBTDNVUKW-GOSISDBHSA-N 0 0 346.496 3.550 10 0 EHAERN O=C(Nc1ccc(F)nc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189774149 1036125739 /nfs/dbraw/zinc/12/57/39/1036125739.db2.gz PTIPLNCMIVSSKK-LLVKDONJSA-N 0 0 335.329 3.910 10 0 EHAERN CSc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)o1 ZINC000189797587 1036128374 /nfs/dbraw/zinc/12/83/74/1036128374.db2.gz OGZUZDUFTNKLQO-UHFFFAOYSA-N 0 0 329.421 3.710 10 0 EHAERN O=C(CCc1ccc(F)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189804157 1036146209 /nfs/dbraw/zinc/14/62/09/1036146209.db2.gz VZUSXPGEAINPNQ-UHFFFAOYSA-N 0 0 339.410 3.853 10 0 EHAERN Cc1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)c(F)cc1F ZINC000189818877 1036149054 /nfs/dbraw/zinc/14/90/54/1036149054.db2.gz BYEYJAJHPJOVTD-UHFFFAOYSA-N 0 0 343.373 3.982 10 0 EHAERN Clc1ccc2nc(CN3CCC(Nc4nccs4)CC3)cn2c1 ZINC000189954935 1036166788 /nfs/dbraw/zinc/16/67/88/1036166788.db2.gz OZPDRHQDUHFGTH-UHFFFAOYSA-N 0 0 347.875 3.521 10 0 EHAERN CCC1CCC(NC(=O)N2CCOC[C@H]2c2nc(C)cs2)CC1 ZINC000190084095 1036176952 /nfs/dbraw/zinc/17/69/52/1036176952.db2.gz CEOKXYDSBOXSSZ-NRXISQOPSA-N 0 0 337.489 3.503 10 0 EHAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)CCO1 ZINC000190266950 1036213226 /nfs/dbraw/zinc/21/32/26/1036213226.db2.gz COZPKTIUFCFXOI-OFQRWUPVSA-N 0 0 337.410 3.876 10 0 EHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCC(Nc2nccs2)CC1 ZINC000190390896 1036234945 /nfs/dbraw/zinc/23/49/45/1036234945.db2.gz KIPQSSONJKHSRI-CVEARBPZSA-N 0 0 333.501 3.762 10 0 EHAERN O=C(/C=C/Sc1ccccc1)N1CCC(Nc2nccs2)CC1 ZINC000190429359 1036238952 /nfs/dbraw/zinc/23/89/52/1036238952.db2.gz IHGVIPBDBLGFKI-XYOKQWHBSA-N 0 0 345.493 3.852 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190434787 1036239953 /nfs/dbraw/zinc/23/99/53/1036239953.db2.gz YPVAYLOBOQHBQY-IAGOWNOFSA-N 0 0 341.480 3.658 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(Br)o1 ZINC000190645061 1036269889 /nfs/dbraw/zinc/26/98/89/1036269889.db2.gz HOIGBDOHQZLUCB-NSHDSACASA-N 0 0 336.185 3.604 10 0 EHAERN Cc1cc(C(=O)NCCc2nc(C)no2)sc1-c1ccc(F)cc1 ZINC000102343365 1036298854 /nfs/dbraw/zinc/29/88/54/1036298854.db2.gz RUNVFYOVBFRNGP-UHFFFAOYSA-N 0 0 345.399 3.527 10 0 EHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000102343296 1036299448 /nfs/dbraw/zinc/29/94/48/1036299448.db2.gz SOKQLLRPRVITOH-AWEZNQCLSA-N 0 0 331.362 3.821 10 0 EHAERN O=C(c1ccc2nccn2c1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191197675 1036345130 /nfs/dbraw/zinc/34/51/30/1036345130.db2.gz BHSHPLBTEQIHIP-ZDUSSCGKSA-N 0 0 341.361 3.632 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccoc3Cl)C2)c1 ZINC000192335420 1036496629 /nfs/dbraw/zinc/49/66/29/1036496629.db2.gz XKHMBXYTTCFBPA-LLVKDONJSA-N 0 0 335.787 3.580 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)N[C@H]3CCc4ccccc43)c2)no1 ZINC000064545153 1036545803 /nfs/dbraw/zinc/54/58/03/1036545803.db2.gz GPHXLXQCTUORPV-KRWDZBQOSA-N 0 0 334.379 3.854 10 0 EHAERN C[C@H](c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1)N(C)CC(F)(F)F ZINC000193223499 1036583344 /nfs/dbraw/zinc/58/33/44/1036583344.db2.gz SOHJUYWBTWAOFA-VWYCJHECSA-N 0 0 335.370 3.543 10 0 EHAERN COc1ccc([C@H](C)NC(=O)[C@@H]2CCOc3ccccc32)cc1F ZINC000102849176 1036778576 /nfs/dbraw/zinc/77/85/76/1036778576.db2.gz IKKHCTOPJXGDAT-SWLSCSKDSA-N 0 0 329.371 3.578 10 0 EHAERN O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000092880557 1036860782 /nfs/dbraw/zinc/86/07/82/1036860782.db2.gz DTOYOCNGWIBJGT-ZWKOTPCHSA-N 0 0 344.455 3.577 10 0 EHAERN CC(C)Cn1ccc2cc(NC(=O)N(C)C[C@@H]3CCCO3)ccc21 ZINC000103585631 1036947463 /nfs/dbraw/zinc/94/74/63/1036947463.db2.gz ZTPCEWVQNKLETP-KRWDZBQOSA-N 0 0 329.444 3.940 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2COc3ccccc32)o1 ZINC000174439396 1036974660 /nfs/dbraw/zinc/97/46/60/1036974660.db2.gz VZUFHOLLAIBFTO-HZPDHXFCSA-N 0 0 326.396 3.958 10 0 EHAERN O=[S@](Cc1nc(-c2ccoc2)no1)Cc1c(F)cccc1Cl ZINC000105662442 1037236006 /nfs/dbraw/zinc/23/60/06/1037236006.db2.gz MZXXLLHPEYLSPK-JOCHJYFZSA-N 0 0 340.763 3.571 10 0 EHAERN CCCCC[C@H](C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)C(C)C ZINC000164418396 1037496108 /nfs/dbraw/zinc/49/61/08/1037496108.db2.gz OTRLZDNIPANEDB-NEWSRXKRSA-N 0 0 348.531 3.841 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116186418 1037837171 /nfs/dbraw/zinc/83/71/71/1037837171.db2.gz MVZMIYUHPGVEJQ-STQMWFEESA-N 0 0 341.317 3.757 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000117595055 1037853829 /nfs/dbraw/zinc/85/38/29/1037853829.db2.gz RAOSGRJSFBREDL-KZULUSFZSA-N 0 0 336.391 3.538 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(F)c(F)c2)cc1 ZINC000123511959 1038029591 /nfs/dbraw/zinc/02/95/91/1038029591.db2.gz VQQZIWDOGCLWMO-SFHVURJKSA-N 0 0 346.377 3.749 10 0 EHAERN Cc1nc([C@H](NC(=O)N(C)C2CCCCC2)c2ccccc2F)no1 ZINC000124176994 1038147151 /nfs/dbraw/zinc/14/71/51/1038147151.db2.gz DLTKXQQEFMVDBT-MRXNPFEDSA-N 0 0 346.406 3.581 10 0 EHAERN CC[C@H]1CCCCN1C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124218218 1038155197 /nfs/dbraw/zinc/15/51/97/1038155197.db2.gz XNNCNGXZUYJEGW-XJKSGUPXSA-N 0 0 346.406 3.581 10 0 EHAERN Cc1cccc(C)c1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000043358172 1038310323 /nfs/dbraw/zinc/31/03/23/1038310323.db2.gz WEWMEXPIPLDOQR-INIZCTEOSA-N 0 0 349.438 3.758 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N3CCCOCC3)cc2s1 ZINC000408405880 1039298589 /nfs/dbraw/zinc/29/85/89/1039298589.db2.gz SEZOZKMYSFLNFN-UHFFFAOYSA-N 0 0 325.821 3.512 10 0 EHAERN CN(C(=O)N[C@H]1c2ccccc2CCC1(C)C)C1CCC(CO)CC1 ZINC000153002250 1039363585 /nfs/dbraw/zinc/36/35/85/1039363585.db2.gz KIEZUUFGCDOODO-KVWWFHCMSA-N 0 0 344.499 3.893 10 0 EHAERN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000150951494 1039595993 /nfs/dbraw/zinc/59/59/93/1039595993.db2.gz URVWSLWROMYXIC-RLFYNMQTSA-N 0 0 344.455 3.516 10 0 EHAERN COc1ccccc1[C@@H](C)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000408430740 1040035051 /nfs/dbraw/zinc/03/50/51/1040035051.db2.gz XPGDSTZBPRWGIT-OAHLLOKOSA-N 0 0 346.471 3.889 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NCc1c(Cl)nc2ccccn21 ZINC000188947235 1040127981 /nfs/dbraw/zinc/12/79/81/1040127981.db2.gz CASJXGGUNMUZEY-AWEZNQCLSA-N 0 0 327.815 3.910 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCSc3ccccc32)cn1 ZINC000171462217 1040487933 /nfs/dbraw/zinc/48/79/33/1040487933.db2.gz MKEMJLDCQPYMTP-JKSUJKDBSA-N 0 0 342.468 3.504 10 0 EHAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246302410 1040696090 /nfs/dbraw/zinc/69/60/90/1040696090.db2.gz BWDSKRBPMNHMFZ-RVKKMQEKSA-N 0 0 343.471 3.882 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](O)C12CCCC2)c1ccc2ccccc2c1 ZINC000332999914 1040843060 /nfs/dbraw/zinc/84/30/60/1040843060.db2.gz RPDHSVDVBSUDOH-BEFAXECRSA-N 0 0 338.451 3.990 10 0 EHAERN CC[C@@H]1CN([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C[C@H](C)O1 ZINC000253542246 1040910205 /nfs/dbraw/zinc/91/02/05/1040910205.db2.gz LMXGPSCSXIEFHI-UFGOTCBOSA-N 0 0 335.473 3.574 10 0 EHAERN O=C1NC2(CCCCCC2)C(=O)N1[C@H]1CCO[C@H](c2cccs2)C1 ZINC000333125212 1041331284 /nfs/dbraw/zinc/33/12/84/1041331284.db2.gz AFMOSJBAOWYUSN-KBPBESRZSA-N 0 0 348.468 3.613 10 0 EHAERN C[C@H](NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCCO1 ZINC000043907157 1041780667 /nfs/dbraw/zinc/78/06/67/1041780667.db2.gz MDFUMVAWTQTTFQ-DZGCQCFKSA-N 0 0 346.427 3.807 10 0 EHAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330248213 1042341241 /nfs/dbraw/zinc/34/12/41/1042341241.db2.gz MCLOFFFKHIRKGQ-PBHICJAKSA-N 0 0 338.411 3.984 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N(C)C2CCC(CO)CC2)c2ccccc21 ZINC000153116475 1042560743 /nfs/dbraw/zinc/56/07/43/1042560743.db2.gz FMBHFQKZRKSYLI-GKSFYBEXSA-N 0 0 330.472 3.818 10 0 EHAERN CC(=O)Nc1cccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000162459394 1042729985 /nfs/dbraw/zinc/72/99/85/1042729985.db2.gz MMSPLEXRUXDKOU-YJYMSZOUSA-N 0 0 349.438 3.512 10 0 EHAERN CC[C@@H](N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000162515816 1042736220 /nfs/dbraw/zinc/73/62/20/1042736220.db2.gz XHFLWGBOACZDOR-QUCCMNQESA-N 0 0 348.450 3.878 10 0 EHAERN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000330266074 1042750523 /nfs/dbraw/zinc/75/05/23/1042750523.db2.gz PTYSOGHOUOMALB-COLVAYQJSA-N 0 0 333.819 3.608 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000162873466 1043820927 /nfs/dbraw/zinc/82/09/27/1043820927.db2.gz ODYRMEGILRPLBI-ZIAGYGMSSA-N 0 0 341.317 3.757 10 0 EHAERN O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000187341324 1043954380 /nfs/dbraw/zinc/95/43/80/1043954380.db2.gz RZLXFBXBWJMWFR-DYVFJYSZSA-N 0 0 344.846 3.716 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000103385196 1132852338 /nfs/dbraw/zinc/85/23/38/1132852338.db2.gz REWRQERXNODESA-UHFFFAOYSA-N 0 0 345.176 3.981 10 0 EHAERN COc1ccccc1CC1CCN(Cn2ncsc2=S)CC1 ZINC000102393348 1135539851 /nfs/dbraw/zinc/53/98/51/1135539851.db2.gz WGKMQBIXWMMOEX-UHFFFAOYSA-N 0 0 335.498 3.595 10 0 EHAERN C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000102778288 1135647057 /nfs/dbraw/zinc/64/70/57/1135647057.db2.gz GWBFOKWDLCBBHU-LBPRGKRZSA-N 0 0 348.422 3.516 10 0 EHAERN CC(C)(C)c1csc(CNCc2cnn(Cc3ccccc3)c2)n1 ZINC000105498607 1135950826 /nfs/dbraw/zinc/95/08/26/1135950826.db2.gz BUFMLZQIMGOVQC-UHFFFAOYSA-N 0 0 340.496 3.975 10 0 EHAERN COc1ccc(C(=O)CCCC(=O)O[C@@H]2CCC[C@H](OC)C2)cc1 ZINC000103669307 1137469373 /nfs/dbraw/zinc/46/93/73/1137469373.db2.gz GRQVIVPDNAUVBD-DLBZAZTESA-N 0 0 334.412 3.549 10 0 EHAERN CCOCc1cccc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 ZINC000102415947 1137873053 /nfs/dbraw/zinc/87/30/53/1137873053.db2.gz NHGDOVFOEYMANK-HZPDHXFCSA-N 0 0 326.440 3.901 10 0 EHAERN CC(C)[C@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000102996026 1137874866 /nfs/dbraw/zinc/87/48/66/1137874866.db2.gz ZGQJVHNIUVGMEK-INIZCTEOSA-N 0 0 338.407 3.786 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](C)Cc1ccccc1F ZINC000105176770 1137880354 /nfs/dbraw/zinc/88/03/54/1137880354.db2.gz WQQGMNHDTJUQTA-MRXNPFEDSA-N 0 0 343.446 3.816 10 0 EHAERN C[C@@H](NC(=O)Nc1ccnn1[C@H](C)C1CC1)c1nc2ccccc2[nH]1 ZINC000105777404 1137882004 /nfs/dbraw/zinc/88/20/04/1137882004.db2.gz FAUXLENHDIVUNN-VXGBXAGGSA-N 0 0 338.415 3.613 10 0 EHAERN O=C(Nc1cccc2c1CCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000333043883 1137953744 /nfs/dbraw/zinc/95/37/44/1137953744.db2.gz OZRRDQYNRAMJHQ-KRWDZBQOSA-N 0 0 348.406 3.867 10 0 EHAERN CN1C(=O)CCc2cc(-c3nc(C(C)(C)C4CCC4)no3)ccc21 ZINC000333247223 1137959275 /nfs/dbraw/zinc/95/92/75/1137959275.db2.gz RDJIBIMNFXJSGF-UHFFFAOYSA-N 0 0 325.412 3.723 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000333612827 1138311504 /nfs/dbraw/zinc/31/15/04/1138311504.db2.gz YHXWBHQYLCTBEZ-AEFFLSMTSA-N 0 0 342.483 3.789 10 0 EHAERN C[C@H]1CC(CNC(=O)Nc2ccc3c(c2)C(=O)CCCC3)C[C@H](C)O1 ZINC000333764320 1138330376 /nfs/dbraw/zinc/33/03/76/1138330376.db2.gz DEJIOFMNJGTMPQ-KBPBESRZSA-N 0 0 344.455 3.921 10 0 EHAERN COc1cccc(SCC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187084932 1140237408 /nfs/dbraw/zinc/23/74/08/1140237408.db2.gz NMJOMHAZDKMJON-INIZCTEOSA-N 0 0 348.493 3.916 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(F)c(F)cc2F)cs1 ZINC000187139886 1140241131 /nfs/dbraw/zinc/24/11/31/1140241131.db2.gz LUTXOQPCPFVNIP-AWEZNQCLSA-N 0 0 326.343 3.846 10 0 EHAERN COc1cccc(CCC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000188118418 1140283679 /nfs/dbraw/zinc/28/36/79/1140283679.db2.gz QMZRYYDNQQIBHA-KRWDZBQOSA-N 0 0 330.453 3.756 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc3ccccc3s2)C1 ZINC000190103846 1140386396 /nfs/dbraw/zinc/38/63/96/1140386396.db2.gz SPSACWJQQKGTLH-ZFWWWQNUSA-N 0 0 329.425 3.555 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)Cc2ccc(O)cc2)cs1 ZINC000190409668 1140402464 /nfs/dbraw/zinc/40/24/64/1140402464.db2.gz XBSNUUUVTSPNMK-SJCJKPOMSA-N 0 0 345.468 3.635 10 0 EHAERN CCC[C@H](CC)NC(=O)c1cc(Br)cnc1NCC ZINC000050771450 214069475 /nfs/dbraw/zinc/06/94/75/214069475.db2.gz XDBTXTFFLMYPDP-NSHDSACASA-N 0 0 328.254 3.584 10 0 EHAERN O[C@@H]1CCCC[C@@H]1n1c(=S)[nH]c2cc(Br)ccc21 ZINC000052008328 214113140 /nfs/dbraw/zinc/11/31/40/214113140.db2.gz JLUNLLIGBBJZTN-NWDGAFQWSA-N 0 0 327.247 3.937 10 0 EHAERN Cc1cc(CNc2ccc(I)cc2)c(C)n1C ZINC000052789799 214145249 /nfs/dbraw/zinc/14/52/49/214145249.db2.gz BQDYKXUXSIQCRX-UHFFFAOYSA-N 0 0 340.208 3.859 10 0 EHAERN COCCN[C@@H](c1ccc(Br)s1)c1nc(C)cs1 ZINC000053288638 214175270 /nfs/dbraw/zinc/17/52/70/214175270.db2.gz MZPAJOPOSVWITJ-NSHDSACASA-N 0 0 347.303 3.601 10 0 EHAERN C[C@@H]1CCC[C@H](S(=O)(=O)Cc2ccc(N)cc2Br)C1 ZINC000054691967 214250868 /nfs/dbraw/zinc/25/08/68/214250868.db2.gz KEOSYJIFGHXYIY-MFKMUULPSA-N 0 0 346.290 3.525 10 0 EHAERN COCCN(C/C=C/c1ccccc1)Cc1coc2ccccc2c1=O ZINC000055211312 214287851 /nfs/dbraw/zinc/28/78/51/214287851.db2.gz MRTDUVSJQQKMMM-JXMROGBWSA-N 0 0 349.430 3.955 10 0 EHAERN COC(=O)c1ccc(Sc2cccc(Br)c2)c(N)c1 ZINC000055308512 214305765 /nfs/dbraw/zinc/30/57/65/214305765.db2.gz LEVJKLOUYGWBIV-UHFFFAOYSA-N 0 0 338.226 3.969 10 0 EHAERN Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000056354007 214372439 /nfs/dbraw/zinc/37/24/39/214372439.db2.gz WZRVRTFMJCFUGD-ZETCQYMHSA-N 0 0 330.190 3.665 10 0 EHAERN [CH2]C(C)(C)[NH2+]C[C@@H](O)c1cc2cc(Br)cc(CC)c2o1 ZINC000100277754 219095715 /nfs/dbraw/zinc/09/57/15/219095715.db2.gz FBFKWMHADOPHSQ-CYBMUJFWSA-N 0 0 339.253 3.993 10 0 in-vitro EHAERN [CH2]C(C)(C)[NH2+]C[C@H](O)c1cc2cc(Br)cc(CC)c2o1 ZINC000100277758 219095993 /nfs/dbraw/zinc/09/59/93/219095993.db2.gz FBFKWMHADOPHSQ-ZDUSSCGKSA-N 0 0 339.253 3.993 10 0 in-vitro EHAERN CSc1ncccc1C(=O)NCc1ccc2c(c1)ncn2C(C)C ZINC000064754855 214801769 /nfs/dbraw/zinc/80/17/69/214801769.db2.gz KVKGDSZRYOOQIY-UHFFFAOYSA-N 0 0 340.452 3.664 10 0 EHAERN CC1(C)CCC(C)(C)c2cc(C3=NN[C@](O)(C(F)(F)F)C3)ccc21 ZINC000004390820 210185822 /nfs/dbraw/zinc/18/58/22/210185822.db2.gz QRAXHYPNNPFOIZ-QGZVFWFLSA-N 0 0 340.389 3.984 10 0 EHAERN CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O ZINC000004097956 210119457 /nfs/dbraw/zinc/11/94/57/210119457.db2.gz XRDHAXIOHKTIGF-JECBFZOVSA-N 0 0 338.488 3.567 10 0 biogenic,in-vitro EHAERN CCCCN(C)C(=O)CSc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000067257131 215128056 /nfs/dbraw/zinc/12/80/56/215128056.db2.gz PPBBPAHMAGTQJI-UHFFFAOYSA-N 0 0 347.459 3.942 10 0 EHAERN Cc1ccccc1C(=O)N[C@H](C(=O)N(C)C1CCCCC1)C(C)C ZINC000041778111 213463845 /nfs/dbraw/zinc/46/38/45/213463845.db2.gz CDXPVABIFLXCJP-SFHVURJKSA-N 0 0 330.472 3.541 10 0 EHAERN CCOc1ccc(Br)cc1/C=C/C(=O)NCC(C)C ZINC000040890624 213396841 /nfs/dbraw/zinc/39/68/41/213396841.db2.gz ZSFKFKCIGUPKKX-VMPITWQZSA-N 0 0 326.234 3.633 10 0 EHAERN Nc1c(Nc2nccs2)ncnc1Nc1cccc2ncccc21 ZINC000040780903 213385625 /nfs/dbraw/zinc/38/56/25/213385625.db2.gz ZVYIZEBZCHICEO-UHFFFAOYSA-N 0 0 335.396 3.551 10 0 EHAERN Nc1c(Nc2cccc(Br)c2)ncnc1NC1CCCC1 ZINC000040797336 213387705 /nfs/dbraw/zinc/38/77/05/213387705.db2.gz OXQHAROUZYAEHM-UHFFFAOYSA-N 0 0 348.248 3.919 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2cc(F)ccc2F)c1N ZINC000040758184 213382870 /nfs/dbraw/zinc/38/28/70/213382870.db2.gz ODIHUYLIAYOYQD-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN Nc1c(NCc2ccccc2)ncnc1Nc1cccc2ncccc21 ZINC000040709345 213373345 /nfs/dbraw/zinc/37/33/45/213373345.db2.gz RPUFLYJVZQFYBY-UHFFFAOYSA-N 0 0 342.406 3.963 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3nc4ccccc4s3)c2N)n1 ZINC000040685499 213369514 /nfs/dbraw/zinc/36/95/14/213369514.db2.gz CCDPRYQOEGQTKO-UHFFFAOYSA-N 0 0 349.423 3.859 10 0 EHAERN COc1ccc(C)cc1Nc1ncnc(N2CCc3ccccc32)c1N ZINC000040684100 213369185 /nfs/dbraw/zinc/36/91/85/213369185.db2.gz TZERMGFYSZEQHI-UHFFFAOYSA-N 0 0 347.422 3.814 10 0 EHAERN O=C(Nc1nc(CN2CCCC2)cs1)c1cccc2cccnc21 ZINC000040461295 213307431 /nfs/dbraw/zinc/30/74/31/213307431.db2.gz DIEHEOCDKYHAHO-UHFFFAOYSA-N 0 0 338.436 3.539 10 0 EHAERN COc1ccc(OCCCn2c(CO)nc3cc(C)c(C)cc32)cc1 ZINC000040309032 213291153 /nfs/dbraw/zinc/29/11/53/213291153.db2.gz UFELSZSFLXIKAH-UHFFFAOYSA-N 0 0 340.423 3.623 10 0 EHAERN C=CC(=O)NCCc1nc2ccccc2n1CCC1CCCCC1 ZINC000040203651 213281737 /nfs/dbraw/zinc/28/17/37/213281737.db2.gz YNRKKQISJVZWLX-UHFFFAOYSA-N 0 0 325.456 3.851 10 0 EHAERN CCCCNC(=O)c1ccc(-n2nncc2-c2ccc(C)cc2)cc1 ZINC000040180167 213280318 /nfs/dbraw/zinc/28/03/18/213280318.db2.gz GYBCIUCUGIIXSF-UHFFFAOYSA-N 0 0 334.423 3.773 10 0 EHAERN Cn1cc(C(=O)Nc2ccccc2F)c(=O)c2cccc(Cl)c21 ZINC000039962955 213246604 /nfs/dbraw/zinc/24/66/04/213246604.db2.gz GXFNFXWJSFZFPF-UHFFFAOYSA-N 0 0 330.746 3.583 10 0 EHAERN COc1cccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000039860418 213244002 /nfs/dbraw/zinc/24/40/02/213244002.db2.gz LZXUKZNRGLOLLH-GDNBJRDFSA-N 0 0 327.361 3.642 10 0 EHAERN CCN(CC)S(=O)(=O)c1ccc(N(CC)c2cccc(C)c2)nc1 ZINC000039771076 213242145 /nfs/dbraw/zinc/24/21/45/213242145.db2.gz KNSRVNWZJHXLHT-UHFFFAOYSA-N 0 0 347.484 3.579 10 0 EHAERN Cc1nccc(CN[C@@H]2CCCOc3cc(Br)ccc32)n1 ZINC000038037772 213195251 /nfs/dbraw/zinc/19/52/51/213195251.db2.gz PTQGMCGIPGKFEH-OAHLLOKOSA-N 0 0 348.244 3.551 10 0 EHAERN CCOC(=O)[C@@H](NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000037973855 213179279 /nfs/dbraw/zinc/17/92/79/213179279.db2.gz RAUTUKBMBHLEGV-JTQLQIEISA-N 0 0 330.133 3.750 10 0 EHAERN CCOC(=O)[C@@](C)(NC1CCCC1)c1ccccc1Br ZINC000037970572 213177977 /nfs/dbraw/zinc/17/79/77/213177977.db2.gz WWJULHSTLPALGC-INIZCTEOSA-N 0 0 340.261 3.760 10 0 EHAERN COC(=O)[C@@](C)(NC1CCCCC1)c1ccccc1Br ZINC000037971920 213177812 /nfs/dbraw/zinc/17/78/12/213177812.db2.gz SQBVARYDQHKKLV-INIZCTEOSA-N 0 0 340.261 3.760 10 0 EHAERN COC(=O)[C@@H](NC1CCCCC1)c1ccc(Br)cc1F ZINC000037972084 213177144 /nfs/dbraw/zinc/17/71/44/213177144.db2.gz LYRAXKXFRFBSEI-AWEZNQCLSA-N 0 0 344.224 3.725 10 0 EHAERN CCC1CCC(Nc2ccc(Br)cc2)(C(N)=O)CC1 ZINC000037944306 213174962 /nfs/dbraw/zinc/17/49/62/213174962.db2.gz BPNCEGQEPBVHDW-UHFFFAOYSA-N 0 0 325.250 3.685 10 0 EHAERN CN(Cc1ccc(Br)o1)C(=O)c1ccc(Cl)c(N)c1 ZINC000037819837 213168094 /nfs/dbraw/zinc/16/80/94/213168094.db2.gz KNCXENRNODQNJL-UHFFFAOYSA-N 0 0 343.608 3.550 10 0 EHAERN COc1ccc(C(=O)c2ccccc2I)cc1 ZINC000036942009 213126555 /nfs/dbraw/zinc/12/65/55/213126555.db2.gz KUKQWJIQTBQWEN-UHFFFAOYSA-N 0 0 338.144 3.531 10 0 EHAERN Nc1ccc2c(c1)CN(c1c(F)cc(F)cc1Br)C2 ZINC000036683420 213109783 /nfs/dbraw/zinc/10/97/83/213109783.db2.gz WOQNPNXHCJSBJD-UHFFFAOYSA-N 0 0 325.156 3.830 10 0 EHAERN C[C@@H](NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1)c1ccccc1 ZINC000036615438 213102720 /nfs/dbraw/zinc/10/27/20/213102720.db2.gz YJVPOTAYFYPPTO-BZNIZROVSA-N 0 0 346.789 3.850 10 0 EHAERN CC(=O)Nc1nc(C)c(Cc2ccc(Br)cc2)s1 ZINC000036639162 213106316 /nfs/dbraw/zinc/10/63/16/213106316.db2.gz TYOHRBXKSJGCPU-UHFFFAOYSA-N 0 0 325.231 3.763 10 0 EHAERN CCOC(=O)N1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(OC)cc13 ZINC000036433508 213098126 /nfs/dbraw/zinc/09/81/26/213098126.db2.gz PQYFVPFRIKQRBG-QRFRQXIXSA-N 0 0 329.440 3.910 10 0 in-vitro EHAERN Cc1c(Cl)cnn1[C@@H](C)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000036611041 213100652 /nfs/dbraw/zinc/10/06/52/213100652.db2.gz VKVKGXPPWDSTGI-IHWZXDPASA-N 0 0 335.879 3.739 10 0 EHAERN COc1cccc(CO[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000036315864 213084049 /nfs/dbraw/zinc/08/40/49/213084049.db2.gz MVPINEPVEFSQIV-LJQANCHMSA-N 0 0 340.423 3.908 10 0 EHAERN O=C(Cc1ccccc1)N1CCC[C@@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315117 213083383 /nfs/dbraw/zinc/08/33/83/213083383.db2.gz CLGILMKZQRSQGT-QGZVFWFLSA-N 0 0 345.389 3.715 10 0 EHAERN Nc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12 ZINC000036176946 213074634 /nfs/dbraw/zinc/07/46/34/213074634.db2.gz XUAVZPFKUWDJJL-UHFFFAOYSA-N 0 0 335.411 3.876 10 0 EHAERN NC(=S)c1ccccc1OCc1ccc(Br)cc1F ZINC000035284974 213017304 /nfs/dbraw/zinc/01/73/04/213017304.db2.gz CMPVTQIVRNKECK-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN COc1ccc(Br)cc1[C@H](N)c1c(F)cccc1F ZINC000034972024 213003007 /nfs/dbraw/zinc/00/30/07/213003007.db2.gz FKAXEBIMGFMUOT-AWEZNQCLSA-N 0 0 328.156 3.784 10 0 EHAERN COc1ccc(-n2cc(-c3ccnc(N4CCCCC4)n3)c(C)n2)cc1 ZINC000072461928 216244115 /nfs/dbraw/zinc/24/41/15/216244115.db2.gz ATPLMVPGKHEIOC-UHFFFAOYSA-N 0 0 349.438 3.637 10 0 EHAERN COC(=O)C[C@H]1CCCCN1C(=O)c1c(Cl)cccc1Cl ZINC000038025952 213192551 /nfs/dbraw/zinc/19/25/51/213192551.db2.gz DVSSHJJKCHOFHM-SNVBAGLBSA-N 0 0 330.211 3.551 10 0 EHAERN COc1ccc(-c2onc(C)c2C(=O)NCc2cccs2)cc1 ZINC000022655597 212315227 /nfs/dbraw/zinc/31/52/27/212315227.db2.gz NFXILBSYXYEDNT-UHFFFAOYSA-N 0 0 328.393 3.650 10 0 EHAERN O=C(c1noc2c1CCCC2)N1CCCC[C@@H]1CCc1ccccn1 ZINC000219258674 241372229 /nfs/dbraw/zinc/37/22/29/241372229.db2.gz ROVZUMAMOYYDIY-MRXNPFEDSA-N 0 0 339.439 3.576 10 0 EHAERN Cc1ccc(NC(=O)c2ccc(C(N)=S)cc2)c(Br)c1 ZINC000019422332 212027409 /nfs/dbraw/zinc/02/74/09/212027409.db2.gz ZWHWLGLJUGWHIT-UHFFFAOYSA-N 0 0 349.253 3.644 10 0 EHAERN Cc1ccc(C(=O)NC[C@@H]2CC(Cc3ccc(F)cc3)=NO2)cc1C ZINC000011788530 211247455 /nfs/dbraw/zinc/24/74/55/211247455.db2.gz WQIFTECQDHDITI-IBGZPJMESA-N 0 0 340.398 3.560 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2cccc(Cl)c2)n1C(=O)CC ZINC000011638096 211228018 /nfs/dbraw/zinc/22/80/18/211228018.db2.gz KMGACWSFPSYTAT-ICFOKQHNSA-N 0 0 338.816 3.801 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2ncccc2O)C1 ZINC000095085037 218276564 /nfs/dbraw/zinc/27/65/64/218276564.db2.gz CFCJGGYKPFPQBO-AWEZNQCLSA-N 0 0 336.432 3.593 10 0 EHAERN CCCn1nc2cc(C(=O)NCc3ccccc3)ccc2c1OCC ZINC000008762961 211001716 /nfs/dbraw/zinc/00/17/16/211001716.db2.gz RUWKCLVIGQOQMW-UHFFFAOYSA-N 0 0 337.423 3.775 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc3ccccc3s2)C1 ZINC000190103890 532968785 /nfs/dbraw/zinc/96/87/85/532968785.db2.gz SPSACWJQQKGTLH-UKRRQHHQSA-N 0 0 329.425 3.555 10 0 EHAERN CC[C@@H]1N(Cc2cc(C)on2)CCC[C@@]12CCC(=O)N2CC1CCC1 ZINC000247886092 257675657 /nfs/dbraw/zinc/67/56/57/257675657.db2.gz DTGSXYVRPMZVAQ-AZUAARDMSA-N 0 0 345.487 3.519 10 0 EHAERN Cc1ccc(F)c(N2CCN(Cc3ccccc3F)[C@H](C)C2=O)c1 ZINC000037513111 132393639 /nfs/dbraw/zinc/39/36/39/132393639.db2.gz NPQRKLQIVWHBDB-CQSZACIVSA-N 0 0 330.378 3.511 10 0 EHAERN COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(F)c1 ZINC000000427455 135650363 /nfs/dbraw/zinc/65/03/63/135650363.db2.gz MBPWNTYWGKFPAA-DNVCBOLYSA-N 0 0 342.370 3.912 10 0 EHAERN Cc1cc(C)n(-c2c(F)c(F)c(-n3nc(C)cc3C)c(F)c2F)n1 ZINC000169480497 226553944 /nfs/dbraw/zinc/55/39/44/226553944.db2.gz PZVSRIGWARPCSY-UHFFFAOYSA-N 0 0 338.308 3.848 10 0 EHAERN Cc1ccccc1NC[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000057340607 525273032 /nfs/dbraw/zinc/27/30/32/525273032.db2.gz ZNPUYWJEYBLQPK-ZDUSSCGKSA-N 0 0 349.356 3.837 10 0 EHAERN Cc1csc([C@H](C)NC(=O)N[C@H]2CCCc3c(O)cccc32)n1 ZINC000188483814 526433002 /nfs/dbraw/zinc/43/30/02/526433002.db2.gz MZGWNYYPSBUGFA-FZMZJTMJSA-N 0 0 331.441 3.595 10 0 EHAERN CC(C)c1cc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)no1 ZINC000219935582 535370206 /nfs/dbraw/zinc/37/02/06/535370206.db2.gz FNUNVJDJIYOZLZ-CQSZACIVSA-N 0 0 329.400 3.642 10 0 EHAERN Fc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686953 563446947 /nfs/dbraw/zinc/44/69/47/563446947.db2.gz XVILCUKMMVMQRC-SFHVURJKSA-N 0 0 335.806 3.759 10 0 EHAERN O=C(/C=C/c1ccccc1)Nc1ccn(-c2ccc(F)cc2F)n1 ZINC000034909361 563482083 /nfs/dbraw/zinc/48/20/83/563482083.db2.gz LFMRSMIJGOFORD-RMKNXTFCSA-N 0 0 325.318 3.802 10 0 EHAERN Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc2c(C)cc(=O)oc2c1 ZINC000065466613 563961280 /nfs/dbraw/zinc/96/12/80/563961280.db2.gz OQOJJJCLIIEJMQ-CQSZACIVSA-N 0 0 335.359 3.590 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2C(F)(F)F)[C@H](O)C1 ZINC000071790697 563965848 /nfs/dbraw/zinc/96/58/48/563965848.db2.gz DCGPFMBWRAEWML-TZMCWYRMSA-N 0 0 345.361 3.791 10 0 EHAERN CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O[C@H](C)CC)cc1 ZINC000000136035 563996148 /nfs/dbraw/zinc/99/61/48/563996148.db2.gz PZMKNRGLZYFPOT-JLSDUUJJSA-N 0 0 345.439 3.948 10 0 EHAERN CC(C)C(=O)[C@@H]1CCCN(c2cc(Br)ccc2F)C1=O ZINC000536951736 564091748 /nfs/dbraw/zinc/09/17/48/564091748.db2.gz ZVBYUCNQZHTLOW-NSHDSACASA-N 0 0 342.208 3.556 10 0 EHAERN CCc1[nH]nc(I)c1-c1ccc(Cl)cc1 ZINC000675077104 564113455 /nfs/dbraw/zinc/11/34/55/564113455.db2.gz XPDGFRYELFPOGH-UHFFFAOYSA-N 0 0 332.572 3.897 10 0 EHAERN Cc1c(I)c(-c2cccnc2)nn1CC(C)C ZINC000409443037 568415345 /nfs/dbraw/zinc/41/53/45/568415345.db2.gz FUQCWLIYULVODJ-UHFFFAOYSA-N 0 0 341.196 3.514 10 0 EHAERN CC1(C)[C@H]([NH2+][C@@H](C(=O)[O-])c2ccccc2)C[C@H]1OCc1ccccc1 ZINC000717982804 977926699 /nfs/dbraw/zinc/92/66/99/977926699.db2.gz XAKBQOPWKYTNTL-GUDVDZBRSA-N 0 0 339.435 3.786 10 0 EHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H](C)c1ccncc1 ZINC000182361892 1032091811 /nfs/dbraw/zinc/09/18/11/1032091811.db2.gz KXYDINCVDIEWHR-CXAGYDPISA-N 0 0 341.459 3.809 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175864953 1015047852 /nfs/dbraw/zinc/04/78/52/1015047852.db2.gz WZFCCVMAKKCQAW-DOTOQJQBSA-N 0 0 332.492 3.520 10 0 EHAERN COC(=O)c1c(NC(=O)N2C[C@H]3CCC[C@@H]32)sc2c1CCCCC2 ZINC000407967053 1016543551 /nfs/dbraw/zinc/54/35/51/1016543551.db2.gz BTVMPOYCZUVYFT-YPMHNXCESA-N 0 0 348.468 3.820 10 0 EHAERN O=C(c1cccc(Br)n1)N1CC=C(c2ccccc2)CC1 ZINC000180385980 1016893202 /nfs/dbraw/zinc/89/32/02/1016893202.db2.gz ANNAVDPADRNUCQ-UHFFFAOYSA-N 0 0 343.224 3.774 10 0 EHAERN CCC[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000183065494 1032160359 /nfs/dbraw/zinc/16/03/59/1032160359.db2.gz OIOHZRZHOZCEBN-MRXNPFEDSA-N 0 0 348.512 3.782 10 0 EHAERN CC(C)c1cnc(CN2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000183071775 1032159918 /nfs/dbraw/zinc/15/99/18/1032159918.db2.gz MYAQMCRGKAOLSH-UHFFFAOYSA-N 0 0 349.525 3.676 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)N2CCC(Nc3ccccc3F)CC2)CCO1 ZINC000184007734 1032223017 /nfs/dbraw/zinc/22/30/17/1032223017.db2.gz AQQGOQJWRKSPBA-NVXWUHKLSA-N 0 0 348.462 3.824 10 0 EHAERN CC(C)c1noc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459529474 1032247074 /nfs/dbraw/zinc/24/70/74/1032247074.db2.gz MAVLOFJNLFTDRH-KRWDZBQOSA-N 0 0 329.444 3.577 10 0 EHAERN O=C(c1csc(-c2ccccn2)n1)N1Cc2ccccc2C2(CC2)C1 ZINC000184591109 1032301103 /nfs/dbraw/zinc/30/11/03/1032301103.db2.gz MSNIUGSNPJIDTO-UHFFFAOYSA-N 0 0 347.443 3.893 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000332921798 1017274245 /nfs/dbraw/zinc/27/42/45/1017274245.db2.gz RRAYJXHPRVAILZ-PKOBYXMFSA-N 0 0 336.435 3.836 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)nc1 ZINC000185544641 1032440025 /nfs/dbraw/zinc/44/00/25/1032440025.db2.gz PWRSGRUWEXDXLK-UHFFFAOYSA-N 0 0 329.375 3.604 10 0 EHAERN Cc1nnc([C@@H](NCc2cccc3c2OC(C)(C)C3)c2ccccc2)[nH]1 ZINC000119013798 1032539968 /nfs/dbraw/zinc/53/99/68/1032539968.db2.gz HUQDKQGBKDJMFJ-SFHVURJKSA-N 0 0 348.450 3.706 10 0 EHAERN Cc1nc(CC(C)C)oc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000408057689 1018523447 /nfs/dbraw/zinc/52/34/47/1018523447.db2.gz YIHFVRYTYKNFEO-JXXFODFXSA-N 0 0 348.487 3.727 10 0 EHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000119238530 1032770412 /nfs/dbraw/zinc/77/04/12/1032770412.db2.gz ZCKIDMUOTBIOPF-DLBZAZTESA-N 0 0 342.418 3.863 10 0 EHAERN Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000333212539 1018851318 /nfs/dbraw/zinc/85/13/18/1018851318.db2.gz UFWFQQMLUDFJDD-YYWXWVFPSA-N 0 0 345.830 3.530 10 0 EHAERN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c2nccn21 ZINC000333226224 1018896340 /nfs/dbraw/zinc/89/63/40/1018896340.db2.gz XDBJUBBFTXLGJR-XQHKEYJVSA-N 0 0 344.381 3.557 10 0 EHAERN Cc1ncc(NC(=O)NC2CCC(C(F)(F)F)CC2)c(C2CC2)n1 ZINC000333267295 1019005714 /nfs/dbraw/zinc/00/57/14/1019005714.db2.gz GMYGOUFGRRVKBS-UHFFFAOYSA-N 0 0 342.365 3.905 10 0 EHAERN C[C@H](C1CC1)n1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cn1 ZINC000333471950 1019673921 /nfs/dbraw/zinc/67/39/21/1019673921.db2.gz FZKSTVAXKSCJSU-MBCQDKQCSA-N 0 0 328.460 3.754 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCCC[C@H]2CO)cs1 ZINC000333482325 1019725221 /nfs/dbraw/zinc/72/52/21/1019725221.db2.gz SNBPOVVTNCTNIP-DZGCQCFKSA-N 0 0 345.468 3.791 10 0 EHAERN Cn1cc(CCC(=O)OC/C=C\c2cccc(C(F)(F)F)c2)cn1 ZINC000588391323 1020138362 /nfs/dbraw/zinc/13/83/62/1020138362.db2.gz REQGNIYHHFIACZ-HYXAFXHYSA-N 0 0 338.329 3.628 10 0 EHAERN Cc1noc(CCC(=O)OC/C=C\c2cccc(C(F)(F)F)c2)n1 ZINC000588391331 1020140174 /nfs/dbraw/zinc/14/01/74/1020140174.db2.gz RYOVIPFIZZJUCC-HYXAFXHYSA-N 0 0 340.301 3.586 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1nc(Cl)ccc1Cl ZINC000588395112 1020253693 /nfs/dbraw/zinc/25/36/93/1020253693.db2.gz PLEOTFCTTXBXMP-FPLPWBNLSA-N 0 0 347.198 3.940 10 0 EHAERN COc1cc(NS(=O)(=O)/C=C\c2ccc(F)cc2)ccc1Cl ZINC000588610600 1032952983 /nfs/dbraw/zinc/95/29/83/1032952983.db2.gz HSFXGEGRJNPTAN-HJWRWDBZSA-N 0 0 341.791 3.900 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H]1COCc2ccccc21 ZINC000333928320 1021504117 /nfs/dbraw/zinc/50/41/17/1021504117.db2.gz XGBYJIIZHWHOJM-GUTXKFCHSA-N 0 0 342.361 3.678 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2C)cs1 ZINC000188018855 1021572296 /nfs/dbraw/zinc/57/22/96/1021572296.db2.gz QIVVEEKBOBOQDZ-HNNXBMFYSA-N 0 0 336.482 3.594 10 0 EHAERN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128214834 1022419697 /nfs/dbraw/zinc/41/96/97/1022419697.db2.gz WOPQFCJXPHIJJD-BBRMVZONSA-N 0 0 342.361 3.864 10 0 EHAERN Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128443351 1022434572 /nfs/dbraw/zinc/43/45/72/1022434572.db2.gz OELWUPPSWZOLBL-RDTXWAMCSA-N 0 0 332.469 3.839 10 0 EHAERN COc1ccc(/C=C(/C)C(=O)N(C(C)C)C2CCOCC2)cc1F ZINC000588438840 1022446562 /nfs/dbraw/zinc/44/65/62/1022446562.db2.gz CMJFHTYALMXROO-KAMYIIQDSA-N 0 0 335.419 3.654 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)CC[C@@H](C)c2ccccc2)[nH]1 ZINC000328750522 1022480083 /nfs/dbraw/zinc/48/00/83/1022480083.db2.gz RGRJPDICRUMNIM-PBHICJAKSA-N 0 0 326.444 3.751 10 0 EHAERN COc1ccc(NC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000101603934 1022567966 /nfs/dbraw/zinc/56/79/66/1022567966.db2.gz UQJPXKMFORLYFJ-UHFFFAOYSA-N 0 0 328.412 3.985 10 0 EHAERN CC(C)c1noc(CCCNC(=O)N2CCC[C@@H]2c2ccccc2)n1 ZINC000101609423 1022572777 /nfs/dbraw/zinc/57/27/77/1022572777.db2.gz BLTHXRJHAKWYRA-MRXNPFEDSA-N 0 0 342.443 3.672 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)Cc2nc(-c3ccsc3)no2)C12CCCC2 ZINC000121209447 1022631204 /nfs/dbraw/zinc/63/12/04/1022631204.db2.gz HCCIWHOPNKXDEA-LSDHHAIUSA-N 0 0 347.484 3.968 10 0 EHAERN CCN(C(=O)/C=C\c1ncccc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000588452978 1023034531 /nfs/dbraw/zinc/03/45/31/1023034531.db2.gz PISCCVZKJFVPHY-MUSGIIIZSA-N 0 0 338.451 3.892 10 0 EHAERN Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000191127771 1024033167 /nfs/dbraw/zinc/03/31/67/1024033167.db2.gz NHPWLYXOSADGIH-HIFRSBDPSA-N 0 0 330.453 3.550 10 0 EHAERN O=C([O-])CCCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000181575534 1024033979 /nfs/dbraw/zinc/03/39/79/1024033979.db2.gz DDUUAPXGHOKYFW-LSDHHAIUSA-N 0 0 325.474 3.671 10 0 EHAERN Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@@H]1c1cnn(C)c1 ZINC000328905416 1024052607 /nfs/dbraw/zinc/05/26/07/1024052607.db2.gz JYLLPMSHHQCKFF-OAHLLOKOSA-N 0 0 346.500 3.751 10 0 EHAERN Cc1ccccc1[C@@H](C)NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000133965285 1024070220 /nfs/dbraw/zinc/07/02/20/1024070220.db2.gz MCHGAZSXFFOWIN-GDBMZVCRSA-N 0 0 341.459 3.605 10 0 EHAERN O=C(Nc1ncn(C2CCCCC2)n1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000182675509 1024119585 /nfs/dbraw/zinc/11/95/85/1024119585.db2.gz KGWZNIJZPKHYDX-KGLIPLIRSA-N 0 0 346.381 3.804 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C(C)(C)Cc3ccccc3)CCO2)o1 ZINC000151801073 1024698753 /nfs/dbraw/zinc/69/87/53/1024698753.db2.gz UEZGEALMZSREFN-SFHVURJKSA-N 0 0 327.424 3.757 10 0 EHAERN CCO[C@@H]1C[C@@H](OC(=O)/C=C(/C)c2ccc(F)cc2)C12CCOCC2 ZINC000588492643 1024911885 /nfs/dbraw/zinc/91/18/85/1024911885.db2.gz KKLAKEBENPXPFB-WMGCDEKXSA-N 0 0 348.414 3.746 10 0 EHAERN Cc1ccoc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217563 1024931464 /nfs/dbraw/zinc/93/14/64/1024931464.db2.gz QFRILWBGPCJJSH-MRXNPFEDSA-N 0 0 335.407 3.998 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC[C@H]1CCC[C@H](C)C1)C2 ZINC000115852703 1025073102 /nfs/dbraw/zinc/07/31/02/1025073102.db2.gz DSLUNLJMOWBGEP-JKSUJKDBSA-N 0 0 346.519 3.828 10 0 EHAERN Cc1noc([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)C2)n1 ZINC000329086412 1025595765 /nfs/dbraw/zinc/59/57/65/1025595765.db2.gz UQKQZZBHDRGKSN-KURKYZTESA-N 0 0 339.439 3.621 10 0 EHAERN Clc1nc2ccccc2cc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121666011 1025634429 /nfs/dbraw/zinc/63/44/29/1025634429.db2.gz FVALHPKQXPKHHE-OAHLLOKOSA-N 0 0 327.819 3.734 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)[nH]1 ZINC000329167495 1025638014 /nfs/dbraw/zinc/63/80/14/1025638014.db2.gz IOEHOQKQMQEZHW-HZMVEIRTSA-N 0 0 330.476 3.773 10 0 EHAERN O=C(NCc1cccc(OCC(F)(F)F)c1)[C@H]1C[C@@H]1c1ccco1 ZINC000121742160 1025746372 /nfs/dbraw/zinc/74/63/72/1025746372.db2.gz CDTSGBSTMHNHEE-KBPBESRZSA-N 0 0 339.313 3.641 10 0 EHAERN COc1ccc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103176098 1026055732 /nfs/dbraw/zinc/05/57/32/1026055732.db2.gz ORAQWAGHTGGSNT-UHFFFAOYSA-N 0 0 337.423 3.527 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3cnc(C)s3)C2)cc1 ZINC000121985490 1026070009 /nfs/dbraw/zinc/07/00/09/1026070009.db2.gz PCHQZPINNBCGDG-FTJFNGAWSA-N 0 0 342.464 3.878 10 0 EHAERN CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000152554161 1026209212 /nfs/dbraw/zinc/20/92/12/1026209212.db2.gz HTYYVGNKUUBOHU-JFIYKMOQSA-N 0 0 344.455 3.690 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000588532733 1026719359 /nfs/dbraw/zinc/71/93/59/1026719359.db2.gz FPUZCETURXUMNM-KAMYIIQDSA-N 0 0 336.370 3.508 10 0 EHAERN CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000152981971 1026908183 /nfs/dbraw/zinc/90/81/83/1026908183.db2.gz HEJGTDHBADCNCV-OAHLLOKOSA-N 0 0 332.425 3.915 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2Nc1cc(Cl)nc(C2CC2)n1 ZINC000301968384 1027010927 /nfs/dbraw/zinc/01/09/27/1027010927.db2.gz PKIOLRBFOSWYGU-LLVKDONJSA-N 0 0 332.839 3.669 10 0 EHAERN CC(=O)N1CC[C@@H](Nc2nc3ccccc3[nH]2)c2ccc(F)cc2C1 ZINC000302201289 1027087577 /nfs/dbraw/zinc/08/75/77/1027087577.db2.gz SCNXPUKFOLUGRC-MRXNPFEDSA-N 0 0 338.386 3.607 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000126000554 1027151196 /nfs/dbraw/zinc/15/11/96/1027151196.db2.gz GUWKKGOHKMAEEF-XOBRGWDASA-N 0 0 345.402 3.671 10 0 EHAERN C[C@@]1(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1(Cl)Cl ZINC000126206345 1027173465 /nfs/dbraw/zinc/17/34/65/1027173465.db2.gz YTLDYQYZRXBOCF-ZFWWWQNUSA-N 0 0 327.255 3.673 10 0 EHAERN C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccncc1 ZINC000044716474 1027227987 /nfs/dbraw/zinc/22/79/87/1027227987.db2.gz BCBVJFIWPVJTFI-LBPRGKRZSA-N 0 0 341.411 3.764 10 0 EHAERN CCOCCC1(C(=O)N2CCC(Nc3ccccc3F)CC2)CCC1 ZINC000126773332 1027239202 /nfs/dbraw/zinc/23/92/02/1027239202.db2.gz YLKZKRQQGWMYOB-UHFFFAOYSA-N 0 0 348.462 3.826 10 0 EHAERN CCCCCC[C@@H](C)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000123465699 1027321544 /nfs/dbraw/zinc/32/15/44/1027321544.db2.gz MEVAFPHJYAIPJK-MRXNPFEDSA-N 0 0 334.508 3.743 10 0 EHAERN Cc1cn2c(CN3CCC[C@@H]3c3noc(C(C)C)n3)c(C)nc2s1 ZINC000127861304 1027362469 /nfs/dbraw/zinc/36/24/69/1027362469.db2.gz IPSWHALUFKGHJG-CYBMUJFWSA-N 0 0 345.472 3.856 10 0 EHAERN Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000128413264 1027430776 /nfs/dbraw/zinc/43/07/76/1027430776.db2.gz OCMGFGZOLJETKS-CQSZACIVSA-N 0 0 339.439 3.721 10 0 EHAERN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)[C@@H]4CCCC[C@H]43)cn2)n1 ZINC000248417448 1027477703 /nfs/dbraw/zinc/47/77/03/1027477703.db2.gz JNMHYDGLYANRDC-DOPJRALCSA-N 0 0 338.455 3.535 10 0 EHAERN O=C1CCc2cc(NC3CCN(c4ccccc4)CC3)c(F)cc2N1 ZINC000153234674 1027599663 /nfs/dbraw/zinc/59/96/63/1027599663.db2.gz MRWQNWAALRKCSI-UHFFFAOYSA-N 0 0 339.414 3.791 10 0 EHAERN CCOCCC1(CNC(=O)N2CC=C(c3ccccc3F)CC2)CC1 ZINC000130494415 1027674264 /nfs/dbraw/zinc/67/42/64/1027674264.db2.gz SOFYPUFXFMVPQM-UHFFFAOYSA-N 0 0 346.446 3.831 10 0 EHAERN O=C(c1cccc(OCc2ccccc2)c1)N1CC[C@@]2(CCOC2)C1 ZINC000153363251 1027755461 /nfs/dbraw/zinc/75/54/61/1027755461.db2.gz KQABBWTXQXOYJN-OAQYLSRUSA-N 0 0 337.419 3.518 10 0 EHAERN COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1O ZINC000246131782 1027795863 /nfs/dbraw/zinc/79/58/63/1027795863.db2.gz KUYVFJVYQSWJAP-ZWKOTPCHSA-N 0 0 345.414 3.628 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)Sc3ccccn3)CC2)n1 ZINC000132258133 1027900470 /nfs/dbraw/zinc/90/04/70/1027900470.db2.gz NNQBIJPNONEHKP-CYBMUJFWSA-N 0 0 347.509 3.733 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000132414698 1027924986 /nfs/dbraw/zinc/92/49/86/1027924986.db2.gz QVCKMAVZILCYPU-OCCSQVGLSA-N 0 0 333.823 3.545 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000105136377 1027943476 /nfs/dbraw/zinc/94/34/76/1027943476.db2.gz PBJILKVPIAGVMG-IEBWSBKVSA-N 0 0 347.503 3.641 10 0 EHAERN C[C@@H](C(=O)Nc1cccc(-c2ncon2)c1)c1c(F)cccc1F ZINC000134570081 1028130900 /nfs/dbraw/zinc/13/09/00/1028130900.db2.gz CBNVRAWCFVZMQA-SNVBAGLBSA-N 0 0 329.306 3.757 10 0 EHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CCCc3occc32)n1 ZINC000135006439 1028164342 /nfs/dbraw/zinc/16/43/42/1028164342.db2.gz WHMFVQHCYYVLEU-ZDUSSCGKSA-N 0 0 337.370 3.877 10 0 EHAERN COC[C@@H]1CCCN(C(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 ZINC000455492341 1028223490 /nfs/dbraw/zinc/22/34/90/1028223490.db2.gz YIDBOQMBGAIKOS-GFCCVEGCSA-N 0 0 345.365 3.689 10 0 EHAERN Cc1nnc([C@H](NC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2)[nH]1 ZINC000069301231 1028427493 /nfs/dbraw/zinc/42/74/93/1028427493.db2.gz GCKVCSUPLKXZHQ-QGZVFWFLSA-N 0 0 346.394 3.506 10 0 EHAERN CC(=O)SCCCCCCNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000193860626 1028472135 /nfs/dbraw/zinc/47/21/35/1028472135.db2.gz PTTVMHSNAGPMIQ-DYVFJYSZSA-N 0 0 335.469 3.507 10 0 EHAERN Cc1ccc(-c2cncc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c2)cc1 ZINC000246458198 1028554508 /nfs/dbraw/zinc/55/45/08/1028554508.db2.gz FRSNJVWIFLEXQQ-GUDVDZBRSA-N 0 0 336.435 3.600 10 0 EHAERN Fc1cccc2c1OCC[C@@H]2N[C@@H](c1cccs1)c1ncc[nH]1 ZINC000195127333 1028582770 /nfs/dbraw/zinc/58/27/70/1028582770.db2.gz YDVGZTMMUFQCIX-ZFWWWQNUSA-N 0 0 329.400 3.813 10 0 EHAERN CC(C)N(CC1CCC1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000195136418 1028583287 /nfs/dbraw/zinc/58/32/87/1028583287.db2.gz RHSZBKDEFHBTGR-UHFFFAOYSA-N 0 0 348.512 3.637 10 0 EHAERN CC(=O)Nc1cc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1C ZINC000248435127 1028609245 /nfs/dbraw/zinc/60/92/45/1028609245.db2.gz RKHVYDDFZVMODG-FDQGKXFDSA-N 0 0 329.444 3.996 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(CCC(C)C)C3CC3)CC2)nc1 ZINC000074435429 1028614698 /nfs/dbraw/zinc/61/46/98/1028614698.db2.gz WSUQQIKUFCWZGX-UHFFFAOYSA-N 0 0 344.503 3.579 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000074486948 1028618990 /nfs/dbraw/zinc/61/89/90/1028618990.db2.gz YLKFQYFRLDSEJK-MCBHFWOFSA-N 0 0 346.434 3.745 10 0 EHAERN CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000075058213 1028640408 /nfs/dbraw/zinc/64/04/08/1028640408.db2.gz YPTZFHDWCIKNGS-UHFFFAOYSA-N 0 0 342.483 3.505 10 0 EHAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2nccs2)C12CCCCC2 ZINC000246691073 1028678271 /nfs/dbraw/zinc/67/82/71/1028678271.db2.gz RMTYTVUMGCBFNB-MGPQQGTHSA-N 0 0 337.489 3.631 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(CCC(F)(F)F)cc1 ZINC000246786921 1028691169 /nfs/dbraw/zinc/69/11/69/1028691169.db2.gz SABQFBFOBTXHDF-XHSDSOJGSA-N 0 0 341.373 3.869 10 0 EHAERN O=C(Nc1cccc2[nH]ccc21)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246998484 1028724821 /nfs/dbraw/zinc/72/48/21/1028724821.db2.gz UDHBPLSBCDPICV-IAOVAPTHSA-N 0 0 325.412 3.637 10 0 EHAERN Cc1nc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000247403437 1028784238 /nfs/dbraw/zinc/78/42/38/1028784238.db2.gz MFIRYDFRUYWNNN-XHSDSOJGSA-N 0 0 342.464 3.806 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@H](C)c3nccs3)C2)cc1 ZINC000247443458 1028789612 /nfs/dbraw/zinc/78/96/12/1028789612.db2.gz YAVIZSBXFBHWSA-UMVBOHGHSA-N 0 0 345.468 3.800 10 0 EHAERN O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247469380 1028792811 /nfs/dbraw/zinc/79/28/11/1028792811.db2.gz QCIGMBBPDQDMOX-ZKYQVNSYSA-N 0 0 346.324 3.924 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N(Cc1ccc(F)cc1)CC1CC1 ZINC000247633834 1028807397 /nfs/dbraw/zinc/80/73/97/1028807397.db2.gz UZQHUWGANLLQNY-OTWHNJEPSA-N 0 0 346.446 3.705 10 0 EHAERN C[C@@H]1CN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@@H]2CCCC[C@H]21 ZINC000248419347 1028898737 /nfs/dbraw/zinc/89/87/37/1028898737.db2.gz LAQHGRKVBAPJES-VYCZESIESA-N 0 0 340.467 3.615 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248645934 1028933322 /nfs/dbraw/zinc/93/33/22/1028933322.db2.gz OVPAJOFDDBYHBR-RFUYNDQBSA-N 0 0 346.446 3.562 10 0 EHAERN Cc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1C(=O)N(C)C(C)C ZINC000248736501 1028944918 /nfs/dbraw/zinc/94/49/18/1028944918.db2.gz OBBGSIFYUWWZRG-QXAKKESOSA-N 0 0 342.483 3.845 10 0 EHAERN CCCCN(C)c1ccc(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000249577756 1029010603 /nfs/dbraw/zinc/01/06/03/1029010603.db2.gz ALKHVEHAHZPFRP-KURKYZTESA-N 0 0 331.460 3.612 10 0 EHAERN C/C=C(/CC)C(=O)OCc1cc(=O)c(OCc2ccccc2)co1 ZINC000588570043 1029329606 /nfs/dbraw/zinc/32/96/06/1029329606.db2.gz HSPSBRISBILMAW-CQPUUCJISA-N 0 0 328.364 3.618 10 0 EHAERN Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248454148 1029331816 /nfs/dbraw/zinc/33/18/16/1029331816.db2.gz ZJODAXSZLOUONI-IACUBPJLSA-N 0 0 342.468 3.559 10 0 EHAERN C[C@@H]1CCN(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)[C@H](c2ccco2)C1 ZINC000282053459 1029375113 /nfs/dbraw/zinc/37/51/13/1029375113.db2.gz AXKVFTJZZQKKEJ-AESZEHBQSA-N 0 0 334.460 3.966 10 0 EHAERN CCCCC[C@H](CC)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245853465 1029384053 /nfs/dbraw/zinc/38/40/53/1029384053.db2.gz MYYVWIBHMLRMQP-BQFCYCMXSA-N 0 0 334.504 3.595 10 0 EHAERN Cc1ccccc1S(=O)(=O)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078793536 1029469405 /nfs/dbraw/zinc/46/94/05/1029469405.db2.gz SEMJYSKZOCBIBJ-UHFFFAOYSA-N 0 0 348.811 3.672 10 0 EHAERN O=C(c1ccn(C2CCCC2)n1)N1CC=C(c2cccs2)CC1 ZINC000155396085 1029524442 /nfs/dbraw/zinc/52/44/42/1029524442.db2.gz ZLTCDQRZBMCRTD-UHFFFAOYSA-N 0 0 327.453 3.989 10 0 EHAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155499300 1029556509 /nfs/dbraw/zinc/55/65/09/1029556509.db2.gz BYQFTQGQYGOREZ-ZBFHGGJFSA-N 0 0 335.517 3.937 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000155659667 1029615126 /nfs/dbraw/zinc/61/51/26/1029615126.db2.gz SOWAIDVLCIPKAW-ZBFHGGJFSA-N 0 0 333.501 3.691 10 0 EHAERN CC(C)C[C@]1(CO)CCCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000588575980 1029688226 /nfs/dbraw/zinc/68/82/26/1029688226.db2.gz BINCPHGQKGYVRO-GEPASTNRSA-N 0 0 338.451 3.648 10 0 EHAERN Nc1c(Cl)cc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1Cl ZINC000156278186 1029793487 /nfs/dbraw/zinc/79/34/87/1029793487.db2.gz SIUSVCSADKQHRP-DIOULYMOSA-N 0 0 333.218 3.644 10 0 EHAERN C[C@@H](CCO)NC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000156967348 1030169003 /nfs/dbraw/zinc/16/90/03/1030169003.db2.gz RFNKQEWWKHKDOK-XHDPSFHLSA-N 0 0 338.860 3.561 10 0 EHAERN Cc1cccc([C@@H](NC(=O)c2ccc(C=O)cc2)c2ccccn2)c1 ZINC000160048471 1030502294 /nfs/dbraw/zinc/50/22/94/1030502294.db2.gz AHVZIVRSRIRVHV-HXUWFJFHSA-N 0 0 330.387 3.722 10 0 EHAERN COCCNc1ccccc1NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588582070 1030653813 /nfs/dbraw/zinc/65/38/13/1030653813.db2.gz GASBBZJCXOKQBJ-YPKPFQOOSA-N 0 0 328.387 3.926 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170672896 1030696413 /nfs/dbraw/zinc/69/64/13/1030696413.db2.gz AOUXHBDMAHHAJT-NSHDSACASA-N 0 0 344.465 3.615 10 0 EHAERN C[C@@]1(C(=O)N[C@H](c2ccccc2)c2cccnc2)CC1(Cl)Cl ZINC000171226394 1030748549 /nfs/dbraw/zinc/74/85/49/1030748549.db2.gz DBOVSKOPNVFJQH-ZBFHGGJFSA-N 0 0 335.234 3.871 10 0 EHAERN CC(C)c1nc(C(=O)N2CCC(Cc3ccccn3)CC2)cs1 ZINC000171616153 1030765825 /nfs/dbraw/zinc/76/58/25/1030765825.db2.gz PRBPLMALPWNHLN-UHFFFAOYSA-N 0 0 329.469 3.756 10 0 EHAERN O=C(c1cccc2ncccc21)N1CCC(Cc2ccccn2)CC1 ZINC000171616378 1030767010 /nfs/dbraw/zinc/76/70/10/1030767010.db2.gz KVLABFZWMZNTPC-UHFFFAOYSA-N 0 0 331.419 3.725 10 0 EHAERN O=C(c1ccccc1OC(F)F)N1CCC(Cc2ccccn2)CC1 ZINC000171612317 1030799494 /nfs/dbraw/zinc/79/94/94/1030799494.db2.gz RBOPDCJNPMDSSU-UHFFFAOYSA-N 0 0 346.377 3.778 10 0 EHAERN O=C(NCCCc1ccccc1)N1CCC(Cc2ccccn2)CC1 ZINC000171897381 1030804210 /nfs/dbraw/zinc/80/42/10/1030804210.db2.gz VLPJXZSUXHGOPH-UHFFFAOYSA-N 0 0 337.467 3.679 10 0 EHAERN COCCOc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000171821396 1030820414 /nfs/dbraw/zinc/82/04/14/1030820414.db2.gz AVLMMSYEWBUQSY-UHFFFAOYSA-N 0 0 337.419 3.641 10 0 EHAERN CC[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000172180643 1030842547 /nfs/dbraw/zinc/84/25/47/1030842547.db2.gz RJAFZKLUCQEPAH-HNNXBMFYSA-N 0 0 348.512 3.639 10 0 EHAERN O=C(Nc1nc2c(s1)CCCC2)N1CCC[C@H](c2nccs2)C1 ZINC000172193871 1030845727 /nfs/dbraw/zinc/84/57/27/1030845727.db2.gz LEYHYHKMQPTMLP-NSHDSACASA-N 0 0 348.497 3.890 10 0 EHAERN C[C@@]1(c2nc(C3CCCC3)no2)CCCN1C(=O)c1ccccc1 ZINC000172214439 1030869784 /nfs/dbraw/zinc/86/97/84/1030869784.db2.gz WTJPISOWUCLVKV-IBGZPJMESA-N 0 0 325.412 3.879 10 0 EHAERN O=C(Nc1ccc2c(c1)CCCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000172216341 1030870122 /nfs/dbraw/zinc/87/01/22/1030870122.db2.gz ZTLOPJQNPZZXDD-CQSZACIVSA-N 0 0 343.452 3.880 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172440943 1030948115 /nfs/dbraw/zinc/94/81/15/1030948115.db2.gz YDFCYNMVYMEPMZ-ZFWWWQNUSA-N 0 0 337.206 3.773 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C3CCCCCCC3)CC2)n1 ZINC000172857023 1031014222 /nfs/dbraw/zinc/01/42/22/1031014222.db2.gz WGRJASYBLAUWCL-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN C/C(=C\C(=O)NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000172871985 1031015354 /nfs/dbraw/zinc/01/53/54/1031015354.db2.gz MSLNFXSPDPYNBD-SAPNQHFASA-N 0 0 335.451 3.579 10 0 EHAERN Fc1ccccc1NC1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000172933063 1031034781 /nfs/dbraw/zinc/03/47/81/1031034781.db2.gz XFVNUTGHBVGLCT-UHFFFAOYSA-N 0 0 342.374 3.545 10 0 EHAERN CCSCC[C@@H](C)NC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000173623297 1031122955 /nfs/dbraw/zinc/12/29/55/1031122955.db2.gz FVWMMTJDUYIGIQ-OAHLLOKOSA-N 0 0 335.517 3.577 10 0 EHAERN Cc1nc(CC(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cs1 ZINC000174705187 1031248996 /nfs/dbraw/zinc/24/89/96/1031248996.db2.gz WZBCABZCXXVHLP-RDTXWAMCSA-N 0 0 344.480 3.599 10 0 EHAERN O=C(c1ncncc1Cl)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000175195747 1031311317 /nfs/dbraw/zinc/31/13/17/1031311317.db2.gz VVQGRRCOOYTXFB-UHFFFAOYSA-N 0 0 338.798 3.541 10 0 EHAERN O=C(NCC(F)(F)F)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000177235978 1031524383 /nfs/dbraw/zinc/52/43/83/1031524383.db2.gz GXODWZMHIRBRFM-GJZGRUSLSA-N 0 0 344.377 3.627 10 0 EHAERN CCCOc1cccc(CC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000178532452 1031678068 /nfs/dbraw/zinc/67/80/68/1031678068.db2.gz UAQDPIYPTSIEEJ-INIZCTEOSA-N 0 0 344.480 3.881 10 0 EHAERN Nc1cccc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c1 ZINC000178734378 1031701624 /nfs/dbraw/zinc/70/16/24/1031701624.db2.gz SDIGBOAEZLZILO-GOSISDBHSA-N 0 0 332.407 3.643 10 0 EHAERN Cc1cc(F)ccc1OC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000178801405 1031707609 /nfs/dbraw/zinc/70/76/09/1031707609.db2.gz ZFWALBQJOWUXHE-UHFFFAOYSA-N 0 0 347.411 3.653 10 0 EHAERN CC(C)Sc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000178709954 1031717156 /nfs/dbraw/zinc/71/71/56/1031717156.db2.gz WMARSVZMYQAJFF-ZWKOTPCHSA-N 0 0 327.449 3.575 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3nc(C(C)C)cs3)CCO2)o1 ZINC000178940729 1031721960 /nfs/dbraw/zinc/72/19/60/1031721960.db2.gz GLPREMHMUJMYNH-AWEZNQCLSA-N 0 0 335.429 3.773 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)NCc3ccc(Cl)s3)CCO2)o1 ZINC000179074580 1031731268 /nfs/dbraw/zinc/73/12/68/1031731268.db2.gz GMWFBGCSRJDZSM-CYBMUJFWSA-N 0 0 340.832 3.586 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000117570350 1031754214 /nfs/dbraw/zinc/75/42/14/1031754214.db2.gz ZZHWIKUHJLRCRY-ZBEGNZNMSA-N 0 0 337.404 3.708 10 0 EHAERN C[C@@H](C(=O)N1CCC(Cc2ccccn2)CC1)c1c(F)cccc1F ZINC000179241012 1031759833 /nfs/dbraw/zinc/75/98/33/1031759833.db2.gz RPUMFCVUFONBBY-CQSZACIVSA-N 0 0 344.405 3.945 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179241125 1031761048 /nfs/dbraw/zinc/76/10/48/1031761048.db2.gz XNAQHFSMXZHJLD-SDBXPKJASA-N 0 0 343.326 3.770 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)c3c[nH]c4ncccc34)C2)sc1C ZINC000329681021 1031774749 /nfs/dbraw/zinc/77/47/49/1031774749.db2.gz WSDCJSHNSNRIOP-CYBMUJFWSA-N 0 0 340.452 3.656 10 0 EHAERN O=C(c1cc(F)cc2cccnc21)N1CCC[C@H](c2nccs2)C1 ZINC000179442922 1031776062 /nfs/dbraw/zinc/77/60/62/1031776062.db2.gz FNCLHKUERROYSI-ZDUSSCGKSA-N 0 0 341.411 3.850 10 0 EHAERN CC[C@H](CSC)NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000179960410 1031826196 /nfs/dbraw/zinc/82/61/96/1031826196.db2.gz ZTYNVNCPLGKANU-CYBMUJFWSA-N 0 0 339.480 3.553 10 0 EHAERN COc1ccc(CC(=O)N2CC=C(c3cccs3)CC2)cc1F ZINC000117722257 1031843472 /nfs/dbraw/zinc/84/34/72/1031843472.db2.gz ZCZJHLVXVQYAMD-UHFFFAOYSA-N 0 0 331.412 3.754 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)nc1 ZINC000180256307 1031870551 /nfs/dbraw/zinc/87/05/51/1031870551.db2.gz IXFZYRRUQJDHMY-HZPDHXFCSA-N 0 0 329.488 3.547 10 0 EHAERN CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccn1 ZINC000180250788 1031871375 /nfs/dbraw/zinc/87/13/75/1031871375.db2.gz FVGKTDLEXGGLKJ-UKRRQHHQSA-N 0 0 345.468 3.735 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)CCO[C@H](C)CC(C)C)CC2)nc1 ZINC000180872326 1031919581 /nfs/dbraw/zinc/91/95/81/1031919581.db2.gz WTUQBKRMNZMRLK-QGZVFWFLSA-N 0 0 348.487 3.601 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3coc4ccccc34)CC2)nc1 ZINC000181194136 1031953022 /nfs/dbraw/zinc/95/30/22/1031953022.db2.gz XYXXFEZPWQGUGF-UHFFFAOYSA-N 0 0 336.391 3.820 10 0 EHAERN O=C(N[C@@H]1CC12CCCCC2)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000181316929 1031971555 /nfs/dbraw/zinc/97/15/55/1031971555.db2.gz IJKXQQZUGLAGFN-IAGOWNOFSA-N 0 0 341.455 3.522 10 0 EHAERN O=C(NC[C@H]1CCCCO1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332967106 1032020850 /nfs/dbraw/zinc/02/08/50/1032020850.db2.gz VPNITSLOWZTZGL-NVXWUHKLSA-N 0 0 344.455 3.691 10 0 EHAERN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000246874514 1033501270 /nfs/dbraw/zinc/50/12/70/1033501270.db2.gz CUECWVZCDJABFI-CUWPLCDZSA-N 0 0 344.499 3.571 10 0 EHAERN Cc1cc(C(=O)COc2ccc(C)nc2)c(C)n1CC(F)(F)F ZINC000101540998 1033757957 /nfs/dbraw/zinc/75/79/57/1033757957.db2.gz BVBDCHLTUXZHDI-UHFFFAOYSA-N 0 0 326.318 3.632 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000083711892 1033891288 /nfs/dbraw/zinc/89/12/88/1033891288.db2.gz LFMFKKNFVAQDDQ-OCCSQVGLSA-N 0 0 347.488 3.570 10 0 EHAERN CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000159049036 1034122273 /nfs/dbraw/zinc/12/22/73/1034122273.db2.gz SCDIUYUCQBODKY-DLBZAZTESA-N 0 0 332.492 3.524 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000120807153 1034169240 /nfs/dbraw/zinc/16/92/40/1034169240.db2.gz AGBUKXCJGXSEBW-ZBFHGGJFSA-N 0 0 342.443 3.883 10 0 EHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000120856448 1034189164 /nfs/dbraw/zinc/18/91/64/1034189164.db2.gz NPJKETSVKZOYKP-LREFGLRZSA-N 0 0 339.357 3.746 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000121284564 1034633594 /nfs/dbraw/zinc/63/35/94/1034633594.db2.gz SEKPMECNDBUGJA-TZMCWYRMSA-N 0 0 332.831 3.705 10 0 EHAERN CCOc1ccc2c(c1)[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)CCO2 ZINC000185622398 1035504324 /nfs/dbraw/zinc/50/43/24/1035504324.db2.gz KGVKVJQSVYBPQW-DOMZBBRYSA-N 0 0 344.238 3.609 10 0 EHAERN Cc1cc(C)c(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c(Cl)n1 ZINC000185921737 1035541488 /nfs/dbraw/zinc/54/14/88/1035541488.db2.gz ODCRPCHSMCHWIF-UHFFFAOYSA-N 0 0 344.802 3.581 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)/C(C)=C/C(C)(C)C)c2ccc(F)cc2C1 ZINC000185939136 1035544188 /nfs/dbraw/zinc/54/41/88/1035544188.db2.gz DIFORNSHZSAQFF-YLZCUGDYSA-N 0 0 346.446 3.728 10 0 EHAERN C[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccs1 ZINC000186603169 1035670154 /nfs/dbraw/zinc/67/01/54/1035670154.db2.gz WDDYXDXTAJJGHN-JTQLQIEISA-N 0 0 330.413 3.608 10 0 EHAERN Cc1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)ccc1-n1cncn1 ZINC000457082617 1035695795 /nfs/dbraw/zinc/69/57/95/1035695795.db2.gz XZWAJARJXZVQHX-UHFFFAOYSA-N 0 0 326.444 3.615 10 0 EHAERN NC(=O)c1csc(CN2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000188044982 1035886257 /nfs/dbraw/zinc/88/62/57/1035886257.db2.gz LXCMBKZEYRPVOR-NSHDSACASA-N 0 0 336.407 3.505 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCCN2c2nccs2)n1 ZINC000188047081 1035887916 /nfs/dbraw/zinc/88/79/16/1035887916.db2.gz DSVPYEJOYPUBIE-XQQFMLRXSA-N 0 0 348.472 3.786 10 0 EHAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)C1(Cc2ccccc2F)CC1 ZINC000187978424 1035894306 /nfs/dbraw/zinc/89/43/06/1035894306.db2.gz JLUGYNIGRUFBSJ-ZWKOTPCHSA-N 0 0 341.430 3.645 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000188386788 1035917655 /nfs/dbraw/zinc/91/76/55/1035917655.db2.gz REYIXDWFSUSGAK-MOPGFXCFSA-N 0 0 341.455 3.513 10 0 EHAERN Cc1nn(C)c(C)c1CCNC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000102603979 1035932520 /nfs/dbraw/zinc/93/25/20/1035932520.db2.gz AUJVSPVMPXBNAM-UHFFFAOYSA-N 0 0 339.483 3.516 10 0 EHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188568337 1035950853 /nfs/dbraw/zinc/95/08/53/1035950853.db2.gz WOPSIHNJRGFGHH-KZULUSFZSA-N 0 0 338.382 3.544 10 0 EHAERN C[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000188917037 1035984250 /nfs/dbraw/zinc/98/42/50/1035984250.db2.gz PLEYQHPWNSEEGD-ZBFHGGJFSA-N 0 0 348.512 3.685 10 0 EHAERN c1c[nH]c([C@@H](NCc2cccc(-c3ccccn3)c2)c2ccncc2)n1 ZINC000189179620 1036026866 /nfs/dbraw/zinc/02/68/66/1036026866.db2.gz CXEVLXHRKDGGSN-FQEVSTJZSA-N 0 0 341.418 3.746 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000189638504 1036103348 /nfs/dbraw/zinc/10/33/48/1036103348.db2.gz DFLCTVGWTRSCBA-UHFFFAOYSA-N 0 0 336.395 3.579 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000189750501 1036137512 /nfs/dbraw/zinc/13/75/12/1036137512.db2.gz COXCMMRBGAYVKG-RVKKMQEKSA-N 0 0 346.471 3.712 10 0 EHAERN CCCc1ncc(C(=O)N2CC3(CCOCC3)c3ccccc32)s1 ZINC000189818193 1036150675 /nfs/dbraw/zinc/15/06/75/1036150675.db2.gz QDQOOVMGYTYADL-UHFFFAOYSA-N 0 0 342.464 3.804 10 0 EHAERN CC[C@H](OC1CCCC1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189859193 1036158622 /nfs/dbraw/zinc/15/86/22/1036158622.db2.gz JAEXPUKISDTILZ-IBGZPJMESA-N 0 0 343.467 3.819 10 0 EHAERN CCOCCCCNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190195183 1036203650 /nfs/dbraw/zinc/20/36/50/1036203650.db2.gz DEVDVTYGXIFNIE-CQSZACIVSA-N 0 0 340.414 3.671 10 0 EHAERN CC(C)(C)SCCCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190398999 1036208377 /nfs/dbraw/zinc/20/83/77/1036208377.db2.gz YTHYVPASGONBQY-UHFFFAOYSA-N 0 0 341.546 3.858 10 0 EHAERN Cc1cnn(-c2ccc(C)cc2NC(=O)[C@@H]2CCCc3cccnc32)c1 ZINC000192800124 1036551665 /nfs/dbraw/zinc/55/16/65/1036551665.db2.gz YHUOYLHUGKTTIX-QGZVFWFLSA-N 0 0 346.434 3.943 10 0 EHAERN C[C@H](CC1CC1)NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193023128 1036573535 /nfs/dbraw/zinc/57/35/35/1036573535.db2.gz DBEGZXWVLGDEJN-LLVKDONJSA-N 0 0 341.377 3.875 10 0 EHAERN O=C(NCc1cc(-c2ccccc2)on1)c1cccc2ncccc21 ZINC000102645232 1036737352 /nfs/dbraw/zinc/73/73/52/1036737352.db2.gz YEXNZBNVGDZJSQ-UHFFFAOYSA-N 0 0 329.359 3.820 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000103080526 1036836182 /nfs/dbraw/zinc/83/61/82/1036836182.db2.gz VQYVBKWFKGTROH-CYBMUJFWSA-N 0 0 337.379 3.878 10 0 EHAERN CCC(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000003422963 1036993179 /nfs/dbraw/zinc/99/31/79/1036993179.db2.gz HYIMATPVMIZKNH-MRXNPFEDSA-N 0 0 339.435 3.796 10 0 EHAERN Cc1noc(CSc2ccccc2C(=O)Nc2cnccc2C)n1 ZINC000104453389 1037039138 /nfs/dbraw/zinc/03/91/38/1037039138.db2.gz LNEYDDZRXLJHIW-UHFFFAOYSA-N 0 0 340.408 3.626 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248923846 1037043751 /nfs/dbraw/zinc/04/37/51/1037043751.db2.gz WXPRRVNCKBXOOM-UHOSZYNNSA-N 0 0 342.483 3.957 10 0 EHAERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(-n2cccc2)c(F)c1 ZINC000104876621 1037102268 /nfs/dbraw/zinc/10/22/68/1037102268.db2.gz JUAXDVWGKNQEEQ-UHFFFAOYSA-N 0 0 347.353 3.654 10 0 EHAERN Cc1ccc(NC(=O)C(C)C)cc1NCc1nc(-c2ccoc2)no1 ZINC000105606707 1037201823 /nfs/dbraw/zinc/20/18/23/1037201823.db2.gz QURYVCDZMCIDCH-UHFFFAOYSA-N 0 0 340.383 3.845 10 0 EHAERN COCCCCN(Cc1nc(-c2ccoc2)no1)Cc1ccccc1 ZINC000105608470 1037205053 /nfs/dbraw/zinc/20/50/53/1037205053.db2.gz GSRKKVQMQVSZNY-UHFFFAOYSA-N 0 0 341.411 3.758 10 0 EHAERN CCOCCOCC(=O)N(Cc1ccccc1F)c1ccccc1F ZINC000105585391 1037217855 /nfs/dbraw/zinc/21/78/55/1037217855.db2.gz HWGQKAMSPVKVOD-UHFFFAOYSA-N 0 0 349.377 3.551 10 0 EHAERN CC(=O)Nc1cc(Cl)ccc1NC(=O)CCc1ccccc1O ZINC000105971547 1037266136 /nfs/dbraw/zinc/26/61/36/1037266136.db2.gz XELUYCAYHIQBNH-UHFFFAOYSA-N 0 0 332.787 3.575 10 0 EHAERN O=C(CCn1ccc2ccccc21)Nc1cccc(-c2ncon2)c1 ZINC000101525938 1037569339 /nfs/dbraw/zinc/56/93/39/1037569339.db2.gz NBPOQFYMNPSBRT-UHFFFAOYSA-N 0 0 332.363 3.720 10 0 EHAERN C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)c1cccc2ccccc21 ZINC000101773064 1037571966 /nfs/dbraw/zinc/57/19/66/1037571966.db2.gz YDAYHYRWXKEUPV-OAHLLOKOSA-N 0 0 349.438 3.539 10 0 EHAERN Cc1nnc([C@H](NC(=O)C[C@@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000103281990 1037589644 /nfs/dbraw/zinc/58/96/44/1037589644.db2.gz VEQGDFXVZUPYTM-AUUYWEPGSA-N 0 0 334.423 3.513 10 0 EHAERN CC[C@@H](CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)C(C)C ZINC000104337322 1037594769 /nfs/dbraw/zinc/59/47/69/1037594769.db2.gz ORGRRMGBPJRMEM-INIZCTEOSA-N 0 0 336.520 3.746 10 0 EHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccncc1)CCC2 ZINC000111798197 1037741163 /nfs/dbraw/zinc/74/11/63/1037741163.db2.gz SSKWIHHGQMJSDB-ABAIWWIYSA-N 0 0 330.457 3.627 10 0 EHAERN CCOCCC1(C(=O)N2CCC(c3nc(C)cs3)CC2)CCC1 ZINC000124883264 1038248471 /nfs/dbraw/zinc/24/84/71/1038248471.db2.gz WSFGSUPWVPGUOQ-UHFFFAOYSA-N 0 0 336.501 3.754 10 0 EHAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000332805517 1040128838 /nfs/dbraw/zinc/12/88/38/1040128838.db2.gz BBBGRNUGYXFQBP-OWCLPIDISA-N 0 0 346.519 3.716 10 0 EHAERN c1c[nH]c([C@H](NCc2cccc(-c3ccccn3)c2)c2ccncc2)n1 ZINC000189179650 1040191793 /nfs/dbraw/zinc/19/17/93/1040191793.db2.gz CXEVLXHRKDGGSN-HXUWFJFHSA-N 0 0 341.418 3.746 10 0 EHAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151508750 1040194556 /nfs/dbraw/zinc/19/45/56/1040194556.db2.gz JZMDGTQDQYKXKL-KUHUBIRLSA-N 0 0 346.858 3.517 10 0 EHAERN O=C(NCc1csc2ccccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332959956 1040383055 /nfs/dbraw/zinc/38/30/55/1040383055.db2.gz JFSSSANBAAOLSO-KXBFYZLASA-N 0 0 344.480 3.738 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249037994 1040894515 /nfs/dbraw/zinc/89/45/15/1040894515.db2.gz YDIWFSVVXRGOFV-XZJROXQQSA-N 0 0 335.835 3.597 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)[C@H]2CCCC[C@@H]12 ZINC000253558832 1040925723 /nfs/dbraw/zinc/92/57/23/1040925723.db2.gz CEYSUTZSVYHPPF-CDMKHQONSA-N 0 0 343.349 3.848 10 0 EHAERN COc1ccnc(N2CCC[C@H]2c2nc(C3CCCCC3)co2)n1 ZINC000364347861 1040931308 /nfs/dbraw/zinc/93/13/08/1040931308.db2.gz RHOSFBGTQNFWJQ-HNNXBMFYSA-N 0 0 328.416 3.862 10 0 EHAERN O=C(NC1CC1)c1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)ccc1Cl ZINC000333039628 1041100529 /nfs/dbraw/zinc/10/05/29/1041100529.db2.gz ZACDEVQRIIKREN-BDJLRTHQSA-N 0 0 347.846 3.639 10 0 EHAERN Cc1sc2ncc(-c3nc(C(C)(C)C4CCC4)no3)c(=O)n2c1C ZINC000333069467 1041203240 /nfs/dbraw/zinc/20/32/40/1041203240.db2.gz GEPHXZYTULNFFW-UHFFFAOYSA-N 0 0 344.440 3.501 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)Nc2nc3c(s2)CCCCCC3)o1 ZINC000333094610 1041276539 /nfs/dbraw/zinc/27/65/39/1041276539.db2.gz OVNHCWGNXAHOFL-NSHDSACASA-N 0 0 334.445 3.981 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(C)o1 ZINC000408147354 1041800721 /nfs/dbraw/zinc/80/07/21/1041800721.db2.gz DEVQNKULGUYODU-NZPGVSJUSA-N 0 0 334.460 3.683 10 0 EHAERN Cc1cc2c(cc1NC(=O)N1CCC(c3nccs3)CC1)OCO2 ZINC000408170657 1042093303 /nfs/dbraw/zinc/09/33/03/1042093303.db2.gz VUDWQPZGQONXOF-UHFFFAOYSA-N 0 0 345.424 3.592 10 0 EHAERN C[C@H](NC(=O)c1ncoc1[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000408172108 1042105269 /nfs/dbraw/zinc/10/52/69/1042105269.db2.gz RVBOTIPYZQECOY-VGGFTTENSA-N 0 0 344.455 3.861 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000408224732 1042757998 /nfs/dbraw/zinc/75/79/98/1042757998.db2.gz XGTAOBBDJAZCHI-FRQCXROJSA-N 0 0 348.512 3.718 10 0 EHAERN C[C@@H]1CC(c2noc(-c3csc(S(C)(=O)=O)c3)n2)C[C@@H](C)C1 ZINC000408224946 1042759282 /nfs/dbraw/zinc/75/92/82/1042759282.db2.gz IVEKTRBMSYPAGA-UWVGGRQHSA-N 0 0 340.470 3.741 10 0 EHAERN O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CC[C@H]2CCC[C@H]21 ZINC000330303096 1042865706 /nfs/dbraw/zinc/86/57/06/1042865706.db2.gz JRORKOXZZCWNGG-DGCLKSJQSA-N 0 0 342.420 3.553 10 0 EHAERN Cc1cc2occ(C(=O)N3CCC[C@@](O)(C(F)(F)F)C3)c2cc1C ZINC000408304534 1042999185 /nfs/dbraw/zinc/99/91/85/1042999185.db2.gz YZOKATOSZXZSDF-INIZCTEOSA-N 0 0 341.329 3.579 10 0 EHAERN O=C(Nc1ccc(Cl)cc1Br)N[C@@H]1CCCC[C@@H]1O ZINC000268726842 1128679838 /nfs/dbraw/zinc/67/98/38/1128679838.db2.gz PUDDGBSJITWWLG-NEPJUHHUSA-N 0 0 347.640 3.528 10 0 EHAERN COc1ccc2c(CC(=O)OCc3sc(C)nc3C)coc2c1 ZINC000103821990 1133607499 /nfs/dbraw/zinc/60/74/99/1133607499.db2.gz OMCWNYQSSPVUIN-UHFFFAOYSA-N 0 0 331.393 3.801 10 0 EHAERN COCc1ccc(C(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)o1 ZINC000103845767 1133904183 /nfs/dbraw/zinc/90/41/83/1133904183.db2.gz BPVZVVXSGOVWSR-UHFFFAOYSA-N 0 0 340.335 3.573 10 0 EHAERN O=C(Oc1cccc(OCC(F)(F)F)c1)c1cccc(Cl)n1 ZINC000105378818 1135944918 /nfs/dbraw/zinc/94/49/18/1135944918.db2.gz WQIAZJYWLROJIS-UHFFFAOYSA-N 0 0 331.677 3.895 10 0 EHAERN CCCOC(=O)c1ccc(NCc2nc(-c3ccoc3)no2)cc1 ZINC000105606398 1135957239 /nfs/dbraw/zinc/95/72/39/1135957239.db2.gz ABLQOGYXUGWJGA-UHFFFAOYSA-N 0 0 327.340 3.509 10 0 EHAERN O=C(N[C@@H]1CCCC12CCOCC2)N[C@H]1CCCc2ccccc21 ZINC000282832058 1137867644 /nfs/dbraw/zinc/86/76/44/1137867644.db2.gz MNVOWMDEMHYTMW-ZWKOTPCHSA-N 0 0 328.456 3.713 10 0 EHAERN CC(C)(C)c1csc(CNC(=O)c2cccc3ncccc32)n1 ZINC000104579161 1137878639 /nfs/dbraw/zinc/87/86/39/1137878639.db2.gz LDMNGBSLAGVXCE-UHFFFAOYSA-N 0 0 325.437 3.919 10 0 EHAERN Cc1cc(C)c2c(c1)[C@H](Nc1cccc3c1CCNC3=O)CCCO2 ZINC000333932836 1138349289 /nfs/dbraw/zinc/34/92/89/1138349289.db2.gz HCTKNNRWJDQNAS-LJQANCHMSA-N 0 0 336.435 3.915 10 0 EHAERN COc1ccc([C@H](C)C(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187072099 1140236070 /nfs/dbraw/zinc/23/60/70/1140236070.db2.gz BDIMSEPBLZDWID-SJCJKPOMSA-N 0 0 330.453 3.927 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)cs1 ZINC000188120013 1140284233 /nfs/dbraw/zinc/28/42/33/1140284233.db2.gz LVKHTMLURAHFLD-KRWDZBQOSA-N 0 0 338.436 3.819 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000190154016 1140389056 /nfs/dbraw/zinc/38/90/56/1140389056.db2.gz BGGZVYSTNGBOCS-ZIAGYGMSSA-N 0 0 342.226 3.647 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2cnc3ccccc3c2)cs1 ZINC000190830318 1140419239 /nfs/dbraw/zinc/41/92/39/1140419239.db2.gz XZMGFRHHLHUFSV-SFHVURJKSA-N 0 0 337.448 3.906 10 0 EHAERN Fc1cc(Br)ccc1-n1nnnc1C1CCCCC1 ZINC000050309518 214052818 /nfs/dbraw/zinc/05/28/18/214052818.db2.gz QZLHCDNPQYNIAQ-UHFFFAOYSA-N 0 0 325.185 3.612 10 0 EHAERN CNc1ncc(Br)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000050728201 214068739 /nfs/dbraw/zinc/06/87/39/214068739.db2.gz CZLPBNQTPIROFY-UHFFFAOYSA-N 0 0 340.608 3.792 10 0 EHAERN CC(C)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000097663707 219045935 /nfs/dbraw/zinc/04/59/35/219045935.db2.gz TUXNQRIQNKUFJB-OAHLLOKOSA-N 0 0 334.423 3.709 10 0 EHAERN Clc1nc(-c2ccc(Br)cc2)nc2c1COCC2 ZINC000097758185 219054453 /nfs/dbraw/zinc/05/44/53/219054453.db2.gz OFWUFUVLCZNQIR-UHFFFAOYSA-N 0 0 325.593 3.632 10 0 EHAERN Cc1nc(CC(=O)Cc2cc(F)ccc2Br)cs1 ZINC000055273756 214299710 /nfs/dbraw/zinc/29/97/10/214299710.db2.gz CUKGKXRBTZSKRU-UHFFFAOYSA-N 0 0 328.206 3.707 10 0 EHAERN C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(F)c(Cl)c1 ZINC000056353648 214372961 /nfs/dbraw/zinc/37/29/61/214372961.db2.gz WRWTWTKTKFXOAJ-JTQLQIEISA-N 0 0 344.773 3.812 10 0 EHAERN C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(F)c(Cl)c1 ZINC000056353650 214372981 /nfs/dbraw/zinc/37/29/81/214372981.db2.gz WRWTWTKTKFXOAJ-SNVBAGLBSA-N 0 0 344.773 3.812 10 0 EHAERN CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000059264101 214614876 /nfs/dbraw/zinc/61/48/76/214614876.db2.gz BJQTXDGKUWBJGM-GFCCVEGCSA-N 0 0 345.830 3.972 10 0 EHAERN Cc1c(C(=O)OCc2ccccc2)sc(N)c1C(=O)OC(C)(C)C ZINC000098177829 219086732 /nfs/dbraw/zinc/08/67/32/219086732.db2.gz POHSMDPCCBQQJT-UHFFFAOYSA-N 0 0 347.436 3.951 10 0 EHAERN COc1ccccc1C[C@H](O)c1ccc(Br)cc1F ZINC000062141178 214701982 /nfs/dbraw/zinc/70/19/82/214701982.db2.gz KZSNZDDXDHWGRL-AWEZNQCLSA-N 0 0 325.177 3.873 10 0 EHAERN C[C@H](SC1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000062055319 214694903 /nfs/dbraw/zinc/69/49/03/214694903.db2.gz DOFFPVCMZHOHSD-JTQLQIEISA-N 0 0 329.259 3.933 10 0 EHAERN COc1ccc(N2C(=O)C[C@@H](c3c(C)[nH]c4ccccc43)C2=O)cc1 ZINC000101100636 219116030 /nfs/dbraw/zinc/11/60/30/219116030.db2.gz JRLIYJPYYHKYSB-INIZCTEOSA-N 0 0 334.375 3.532 10 0 EHAERN CC(C)(C)OC(=O)Nc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1 ZINC000004094510 210119768 /nfs/dbraw/zinc/11/97/68/210119768.db2.gz BENKCHCEVSZRLS-UHFFFAOYSA-N 0 0 337.379 3.937 10 0 EHAERN NS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CCC2)cc1 ZINC000003814652 210076577 /nfs/dbraw/zinc/07/65/77/210076577.db2.gz PZDSRZQDLSVQIG-UHFFFAOYSA-N 0 0 335.375 3.707 10 0 EHAERN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Br)cc1 ZINC000003536914 210050829 /nfs/dbraw/zinc/05/08/29/210050829.db2.gz LYDRQGIDODMVJR-GFCCVEGCSA-N 0 0 345.240 3.839 10 0 EHAERN Cc1c2cc(F)ccc2[nH]c1[C@@H]1CC(=O)Nc2c1c(C(C)C)nn2C ZINC000067695204 215188213 /nfs/dbraw/zinc/18/82/13/215188213.db2.gz XLAMYRSZQXNARF-CYBMUJFWSA-N 0 0 340.402 3.946 10 0 EHAERN Cc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1Br ZINC000104063549 219344047 /nfs/dbraw/zinc/34/40/47/219344047.db2.gz QHSIAJOWBMYRFA-UHFFFAOYSA-N 0 0 340.608 3.640 10 0 EHAERN O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(Br)ccc1F ZINC000104096450 219347136 /nfs/dbraw/zinc/34/71/36/219347136.db2.gz YZELVQSNCXJAGM-AXFHLTTASA-N 0 0 326.209 3.754 10 0 EHAERN CCOC(=O)c1cc(Cl)c(NC(=O)CC(C)(C)C)cc1OC ZINC000041016665 213407877 /nfs/dbraw/zinc/40/78/77/213407877.db2.gz NPYYJJGJLLAHTG-UHFFFAOYSA-N 0 0 327.808 3.900 10 0 EHAERN CC(C)OC(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1 ZINC000040898767 213398335 /nfs/dbraw/zinc/39/83/35/213398335.db2.gz WFMMDDOAIMCTPG-UHFFFAOYSA-N 0 0 348.468 3.645 10 0 EHAERN Nc1cccc(Cl)c1C(=O)Nc1cccc(Br)c1 ZINC000104344627 219376597 /nfs/dbraw/zinc/37/65/97/219376597.db2.gz RHIKNJUDMHYRSM-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N ZINC000040779338 213386079 /nfs/dbraw/zinc/38/60/79/213386079.db2.gz MWXLTDFKZYSJBI-UHFFFAOYSA-N 0 0 342.790 3.603 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 ZINC000040779365 213385955 /nfs/dbraw/zinc/38/59/55/213385955.db2.gz LSWKETQSFIHTST-UHFFFAOYSA-N 0 0 342.790 3.603 10 0 EHAERN CC(=O)c1cccc(Nc2ncnc(N(C)c3ccccc3)c2N)c1 ZINC000040705274 213372324 /nfs/dbraw/zinc/37/23/24/213372324.db2.gz DCCFQUCYGDWCQR-UHFFFAOYSA-N 0 0 333.395 3.773 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccccn3)c2N)cc1Cl ZINC000040703695 213372330 /nfs/dbraw/zinc/37/23/30/213372330.db2.gz SEOROSBTQFFNQV-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1C ZINC000040703090 213371548 /nfs/dbraw/zinc/37/15/48/213371548.db2.gz GZTRPWNNCBRNEZ-UHFFFAOYSA-N 0 0 330.395 3.758 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)n1 ZINC000040685770 213369288 /nfs/dbraw/zinc/36/92/88/213369288.db2.gz NOESQAMMGSKDNO-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3cccnc3)c2N)cc1Cl ZINC000040703668 213371621 /nfs/dbraw/zinc/37/16/21/213371621.db2.gz PCEZJFSALNUNTP-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN Cc1cc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)no1 ZINC000040681097 213367745 /nfs/dbraw/zinc/36/77/45/213367745.db2.gz BWGPHVMFHMQKKD-UHFFFAOYSA-N 0 0 334.742 3.635 10 0 EHAERN COc1cc(Br)c([C@H](O)c2cccs2)cc1OC ZINC000040256235 213284898 /nfs/dbraw/zinc/28/48/98/213284898.db2.gz LATZGFDKBAEGDB-ZDUSSCGKSA-N 0 0 329.215 3.610 10 0 EHAERN CCOC(=O)Cn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 ZINC000040238514 213283234 /nfs/dbraw/zinc/28/32/34/213283234.db2.gz AYOVOROPYNYNJU-JLHYYAGUSA-N 0 0 336.391 3.778 10 0 EHAERN CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCCS4)CS1 ZINC000040176472 213279132 /nfs/dbraw/zinc/27/91/32/213279132.db2.gz QOWRGECCLOQVHR-UHFFFAOYSA-N 0 0 338.523 3.912 10 0 EHAERN COc1cccc2c(O)c(C(=O)Nc3ccc(Cl)cc3C)cnc12 ZINC000039962856 213246076 /nfs/dbraw/zinc/24/60/76/213246076.db2.gz DYRVAZWZDCMMIP-UHFFFAOYSA-N 0 0 342.782 3.751 10 0 EHAERN COC(=O)c1ccc(-c2cn3c(cccc3Br)n2)cc1 ZINC000039325777 213234905 /nfs/dbraw/zinc/23/49/05/213234905.db2.gz VIVGGTOKLXXUGB-UHFFFAOYSA-N 0 0 331.169 3.550 10 0 EHAERN CCOC(=O)c1csc(Cc2cccc(Br)c2)n1 ZINC000038540376 213214106 /nfs/dbraw/zinc/21/41/06/213214106.db2.gz QYBDMITUHPDCMC-UHFFFAOYSA-N 0 0 326.215 3.673 10 0 EHAERN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccnc(Cl)c1 ZINC000038008581 213188573 /nfs/dbraw/zinc/18/85/73/213188573.db2.gz OMFBJAVYOPGDSR-UHFFFAOYSA-N 0 0 337.615 3.843 10 0 EHAERN COC(=O)[C@H](NC1CCCCC1)c1ccccc1Br ZINC000037972063 213177716 /nfs/dbraw/zinc/17/77/16/213177716.db2.gz ZIGVMSDVBYIDLB-CQSZACIVSA-N 0 0 326.234 3.586 10 0 EHAERN CC[C@H](C)C[C@@](CC)(Nc1ccc(Br)cc1)C(N)=O ZINC000037944192 213174989 /nfs/dbraw/zinc/17/49/89/213174989.db2.gz CLMFHQDVFTZPSW-XHDPSFHLSA-N 0 0 327.266 3.931 10 0 EHAERN CCOC(=O)[C@@H](CCSC)Nc1ccc(Br)cc1 ZINC000037960579 213176567 /nfs/dbraw/zinc/17/65/67/213176567.db2.gz LVFLQDCUFPKIEB-GFCCVEGCSA-N 0 0 332.263 3.546 10 0 EHAERN Cc1nc(NC(=O)c2cc(Br)cn2C2CC2)sc1C ZINC000037843791 213169270 /nfs/dbraw/zinc/16/92/70/213169270.db2.gz KFTHXWYIQBXZCE-UHFFFAOYSA-N 0 0 340.246 3.911 10 0 EHAERN C[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1sccc1Br ZINC000037784457 213167343 /nfs/dbraw/zinc/16/73/43/213167343.db2.gz MURKOHDHNZCQBI-MNOVXSKESA-N 0 0 345.306 3.562 10 0 EHAERN Cc1ccc(Br)cc1S(=O)(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000037574849 213159227 /nfs/dbraw/zinc/15/92/27/213159227.db2.gz BIOBCZKVWUEHJU-RYUDHWBXSA-N 0 0 346.290 3.709 10 0 EHAERN Nc1ccccc1NC(=O)CSc1ccc(Br)cc1 ZINC000037381473 213142782 /nfs/dbraw/zinc/14/27/82/213142782.db2.gz KGCITMJZQSSULY-UHFFFAOYSA-N 0 0 337.242 3.762 10 0 EHAERN Nc1cccc2c1CN(c1c(F)cc(F)cc1Br)C2 ZINC000036683421 213110134 /nfs/dbraw/zinc/11/01/34/213110134.db2.gz KAJBFPSYULZTIX-UHFFFAOYSA-N 0 0 325.156 3.830 10 0 EHAERN CC(C)(C)n1nc2nc(NCC3CC3)nc(-c3ccccc3)c2c1N ZINC000035929402 213051773 /nfs/dbraw/zinc/05/17/73/213051773.db2.gz CBCHHLRLFDIMDZ-UHFFFAOYSA-N 0 0 336.443 3.652 10 0 EHAERN Ic1cccc(NC2Cc3ccccc3C2)c1 ZINC000035658111 213044056 /nfs/dbraw/zinc/04/40/56/213044056.db2.gz LCNVLGGDFKKNER-UHFFFAOYSA-N 0 0 335.188 3.871 10 0 EHAERN CC(C)CC[C@@H](C)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000037129780 213133457 /nfs/dbraw/zinc/13/34/57/213133457.db2.gz WBLJXHPSEABVHA-SECBINFHSA-N 0 0 326.238 3.855 10 0 EHAERN CCCn1cc(Br)cc1C(=O)Nc1nc(C)c(C)s1 ZINC000037843789 213169825 /nfs/dbraw/zinc/16/98/25/213169825.db2.gz ZGHPYUSMXGANMY-UHFFFAOYSA-N 0 0 342.262 3.986 10 0 EHAERN CCN(CC)C(=O)c1cc(-c2cn[nH]c2)nc2ccc(Cl)cc21 ZINC000023506337 212381550 /nfs/dbraw/zinc/38/15/50/212381550.db2.gz RDWZAUGVZWTYFI-UHFFFAOYSA-N 0 0 328.803 3.760 10 0 EHAERN CC(=O)Nc1ccc(-c2nc3c[nH]n(C[C@@H]4CC=CCC4)c-3n2)cc1 ZINC000023543957 212381673 /nfs/dbraw/zinc/38/16/73/212381673.db2.gz KCAKTGKMWOGRBP-CQSZACIVSA-N 0 0 335.411 3.741 10 0 EHAERN Nc1ccc(F)c(NC(=O)c2ccc(F)cc2Br)c1 ZINC000022144297 212279325 /nfs/dbraw/zinc/27/93/25/212279325.db2.gz MZUFIYFZLKDWDG-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN Cc1cc(C)c(NC2=CC(=O)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000021945576 212265746 /nfs/dbraw/zinc/26/57/46/212265746.db2.gz QZUHADHXVGNOPU-UHFFFAOYSA-N 0 0 334.419 3.519 10 0 EHAERN Cc1ccc(F)cc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105029 212207758 /nfs/dbraw/zinc/20/77/58/212207758.db2.gz YRFVCYGMNMOGAN-SFHVURJKSA-N 0 0 337.354 3.889 10 0 EHAERN Cc1ccc(F)cc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105024 212207216 /nfs/dbraw/zinc/20/72/16/212207216.db2.gz YRFVCYGMNMOGAN-GOSISDBHSA-N 0 0 337.354 3.889 10 0 EHAERN CC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254846490 244045039 /nfs/dbraw/zinc/04/50/39/244045039.db2.gz MDCCMZGGNCMFPQ-HLLGIEBOSA-N 0 0 346.511 3.876 10 0 EHAERN Cc1cc(Br)cc(C)c1NC(=O)Cc1ccccc1N ZINC000020030734 212095715 /nfs/dbraw/zinc/09/57/15/212095715.db2.gz HRJBPVPPGFOTKR-UHFFFAOYSA-N 0 0 333.229 3.829 10 0 EHAERN O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCC(c2ccccc2)CC1 ZINC000078545844 217071588 /nfs/dbraw/zinc/07/15/88/217071588.db2.gz HYQHQPRPHPBTHB-FQEVSTJZSA-N 0 0 349.478 3.855 10 0 EHAERN C[C@@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@@H](C)O1 ZINC000017324591 211965943 /nfs/dbraw/zinc/96/59/43/211965943.db2.gz RZOWFQUNLCMVOL-CHWSQXEVSA-N 0 0 327.449 3.763 10 0 EHAERN CCN(CCn1cccn1)Cc1nc(-c2ccc(F)cc2)oc1C ZINC000015065062 211795253 /nfs/dbraw/zinc/79/52/53/211795253.db2.gz ICBCBPDCOKZVIN-UHFFFAOYSA-N 0 0 328.391 3.508 10 0 EHAERN Cc1cc(Br)cc2c1NCCN(C(=O)OC(C)(C)C)C2 ZINC000091692600 218048955 /nfs/dbraw/zinc/04/89/55/218048955.db2.gz JQAYIPAYPDODLB-UHFFFAOYSA-N 0 0 341.249 3.920 10 0 EHAERN CCC(=O)Oc1c(CC)s/c(=N\c2ccccc2)n1C(=O)CC ZINC000011638132 211228414 /nfs/dbraw/zinc/22/84/14/211228414.db2.gz RRPKBIJDXJEYKK-ZCXUNETKSA-N 0 0 332.425 3.710 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(COCC(=O)c2cccs2)CC1 ZINC000095084139 218275554 /nfs/dbraw/zinc/27/55/54/218275554.db2.gz TWXZRKCAFOGJOJ-UHFFFAOYSA-N 0 0 339.457 3.595 10 0 EHAERN Cc1ccc(Cn2c3ccccc3nc2N2CCC[C@@H](CO)C2)cc1 ZINC000095090014 218279077 /nfs/dbraw/zinc/27/90/77/218279077.db2.gz CFDSDEPGHRMLML-GOSISDBHSA-N 0 0 335.451 3.602 10 0 EHAERN Cc1nccnc1OCCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095090598 218280305 /nfs/dbraw/zinc/28/03/05/218280305.db2.gz SQJFVOROEPLJCP-OAHLLOKOSA-N 0 0 335.448 3.734 10 0 EHAERN C[C@@H](Sc1nc2ccccc2n1C)C(=O)N[C@H](C)c1ccccc1 ZINC000008808042 211007659 /nfs/dbraw/zinc/00/76/59/211007659.db2.gz JCIJKYXGIQGPDI-ZIAGYGMSSA-N 0 0 339.464 3.931 10 0 EHAERN OCc1cnc(SCc2ccccc2F)n1Cc1cccs1 ZINC000004754345 210270586 /nfs/dbraw/zinc/27/05/86/210270586.db2.gz DBNYDUHJECWWGE-UHFFFAOYSA-N 0 0 334.441 3.917 10 0 EHAERN Cc1c(Cl)cccc1N1CCN(C(=O)c2cccs2)[C@H](C)C1=O ZINC000037288110 132393919 /nfs/dbraw/zinc/39/39/19/132393919.db2.gz KBSANGGOSWXVNA-GFCCVEGCSA-N 0 0 348.855 3.587 10 0 EHAERN O=C1CCN(c2cc(-c3cccnc3)nc(-c3ccccc3F)n2)CC1 ZINC000070452043 135617706 /nfs/dbraw/zinc/61/77/06/135617706.db2.gz NYNGLGXAXPLSMU-UHFFFAOYSA-N 0 0 348.381 3.514 10 0 EHAERN COc1ccc2cc([C@H](C)C(=O)N[C@H](C)[C@H]3CCCO3)ccc2c1 ZINC000027865930 525639872 /nfs/dbraw/zinc/63/98/72/525639872.db2.gz XPWLJSJBCMNXNW-IQUTYRLHSA-N 0 0 327.424 3.636 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)o1 ZINC000044299153 526899942 /nfs/dbraw/zinc/89/99/42/526899942.db2.gz MPMLKZCMXKWIJL-HTQZYQBOSA-N 0 0 340.139 3.893 10 0 EHAERN CC(C)c1noc([C@H](Nc2nc3ccccc3o2)C2CCOCC2)n1 ZINC000275340276 564008683 /nfs/dbraw/zinc/00/86/83/564008683.db2.gz KSUONLIXHLVQOH-OAHLLOKOSA-N 0 0 342.399 3.914 10 0 EHAERN O=C(C1C=CC=CC=C1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000583621255 564018122 /nfs/dbraw/zinc/01/81/22/564018122.db2.gz FGDGDFZERGBEAJ-RHSMWYFYSA-N 0 0 349.352 3.638 10 0 EHAERN CCOC(=O)c1cnc2c(Br)ccc(F)c2c1Cl ZINC000228847035 564091721 /nfs/dbraw/zinc/09/17/21/564091721.db2.gz CTZSVPFBWCXIOY-UHFFFAOYSA-N 0 0 332.556 3.967 10 0 EHAERN CC(C)C(=O)[C@H]1CCCN(c2cccc(Br)c2F)C1=O ZINC000536950825 564091746 /nfs/dbraw/zinc/09/17/46/564091746.db2.gz LVKRXYFIFURCJO-SNVBAGLBSA-N 0 0 342.208 3.556 10 0 EHAERN CCOc1ccccc1NC(=O)C1=CC(=O)C[C@@H](c2ccccc2)O1 ZINC000048547573 564129393 /nfs/dbraw/zinc/12/93/93/564129393.db2.gz KNHZCYILOZPYOO-SFHVURJKSA-N 0 0 337.375 3.638 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1C1CC1 ZINC000253395767 564130514 /nfs/dbraw/zinc/13/05/14/564130514.db2.gz GZBPBYOFRYKSJL-QXAKKESOSA-N 0 0 343.467 3.728 10 0 EHAERN CCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000077287050 564134173 /nfs/dbraw/zinc/13/41/73/564134173.db2.gz YSLFTQVHOQDRAP-QCVZGKPXSA-N 0 0 329.484 3.879 10 0 in-vitro EHAERN Cn1c(=O)oc2ccc(N[C@H]3CCCOc4cc(F)ccc43)cc21 ZINC000182217517 1032079701 /nfs/dbraw/zinc/07/97/01/1032079701.db2.gz YNERGQFGJAALDI-AWEZNQCLSA-N 0 0 328.343 3.596 10 0 EHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc2c1OCC2 ZINC000692496793 976513236 /nfs/dbraw/zinc/51/32/36/976513236.db2.gz UHSYRBXUUDISCX-UHFFFAOYSA-N 0 0 345.826 3.752 10 0 EHAERN O=C([O-])C[N@H+](Cc1ccccc1)Cc1cccc(Br)c1 ZINC000701239884 976999707 /nfs/dbraw/zinc/99/97/07/976999707.db2.gz RPJGERUFDUUCEL-UHFFFAOYSA-N 0 0 334.213 3.536 10 0 EHAERN C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710298174 977501257 /nfs/dbraw/zinc/50/12/57/977501257.db2.gz KFHWMISAYNHWLT-RWSFTLGLSA-N 0 0 326.234 3.553 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]C2(C3CCC3)CCC2)c(Br)c1 ZINC000717889777 977923814 /nfs/dbraw/zinc/92/38/14/977923814.db2.gz KZGPEQYWGMFQHJ-UHFFFAOYSA-N 0 0 338.245 3.960 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000177987072 1016507989 /nfs/dbraw/zinc/50/79/89/1016507989.db2.gz FTJLRQMAWSEDGR-SJCJKPOMSA-N 0 0 339.888 3.829 10 0 EHAERN C[C@@H]1CCCN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[C@H]1C ZINC000407962531 1016513331 /nfs/dbraw/zinc/51/33/31/1016513331.db2.gz MZDKQKHGCBWRHG-NEPJUHHUSA-N 0 0 337.851 3.694 10 0 EHAERN CC(C)[C@H](NC(=O)N1CC[C@@H](C)C[C@H](C)C1)c1nnc2ccccn21 ZINC000407967107 1016544251 /nfs/dbraw/zinc/54/42/51/1016544251.db2.gz CCZUITUQBLBLSE-VYDXJSESSA-N 0 0 343.475 3.504 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)[nH]1 ZINC000407980787 1016686452 /nfs/dbraw/zinc/68/64/52/1016686452.db2.gz OCCDUOIQXGEBPA-XQQFMLRXSA-N 0 0 344.381 3.535 10 0 EHAERN CO[C@H](C)CCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183607072 1032212413 /nfs/dbraw/zinc/21/24/13/1032212413.db2.gz PHJKGVPQGFBESY-NVXWUHKLSA-N 0 0 341.455 3.598 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183638558 1032213683 /nfs/dbraw/zinc/21/36/83/1032213683.db2.gz RPWZDVQPNCYQEV-MRXNPFEDSA-N 0 0 336.399 3.559 10 0 EHAERN CC(C)C[C@@H](C)S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000118424759 1032242428 /nfs/dbraw/zinc/24/24/28/1032242428.db2.gz IKTGSRJWQYMECL-CQSZACIVSA-N 0 0 349.500 3.507 10 0 EHAERN CCc1cc(NC(=O)N2CCCN(c3ccccn3)CC2)ccc1C ZINC000184145617 1032258624 /nfs/dbraw/zinc/25/86/24/1032258624.db2.gz JBKFABANVDTOLW-UHFFFAOYSA-N 0 0 338.455 3.697 10 0 EHAERN Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)ccc1N(C)C ZINC000080741658 1032285742 /nfs/dbraw/zinc/28/57/42/1032285742.db2.gz WKYFWPFNDUDQBF-WMZOPIPTSA-N 0 0 341.459 3.563 10 0 EHAERN O=C(NCCCc1ccccn1)N1CC=C(c2ccccc2F)CC1 ZINC000185089608 1032363232 /nfs/dbraw/zinc/36/32/32/1032363232.db2.gz AISPHVKWPBHZIQ-UHFFFAOYSA-N 0 0 339.414 3.652 10 0 EHAERN O=C(C/C=C/c1ccccc1F)Nc1cccc2c1OCC[C@@H]2O ZINC000185283426 1032375452 /nfs/dbraw/zinc/37/54/52/1032375452.db2.gz AAUBWIBDRXYWDR-ZVVFDCPKSA-N 0 0 327.355 3.684 10 0 EHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000185388715 1032386213 /nfs/dbraw/zinc/38/62/13/1032386213.db2.gz CERCSOYIOLTUIH-CPUCHLNUSA-N 0 0 343.810 3.898 10 0 EHAERN CC(C)c1cc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2C)no1 ZINC000083573900 1032400022 /nfs/dbraw/zinc/40/00/22/1032400022.db2.gz KJYASOWQINRKFJ-CYBMUJFWSA-N 0 0 328.416 3.670 10 0 EHAERN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000046544063 1017382461 /nfs/dbraw/zinc/38/24/61/1017382461.db2.gz XFLLKPLOSZGCPR-HNNXBMFYSA-N 0 0 342.464 3.856 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2ccc3nnc(C(F)F)n3n2)o1 ZINC000092659003 1032807866 /nfs/dbraw/zinc/80/78/66/1032807866.db2.gz XJUZGHCOOQCKBP-PWSUYJOCSA-N 0 0 347.369 3.941 10 0 EHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000283827866 1019315235 /nfs/dbraw/zinc/31/52/35/1019315235.db2.gz ZJIMZGBSUZUZIO-BFUOFWGJSA-N 0 0 344.842 3.655 10 0 EHAERN CC[C@@H](C)Oc1cc(CNC(=O)/C=C\c2ccnc(Cl)c2)ccn1 ZINC000588391952 1020166025 /nfs/dbraw/zinc/16/60/25/1020166025.db2.gz FSNZKNWKMCNXFU-DSYXLKISSA-N 0 0 345.830 3.637 10 0 EHAERN C[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCCCCC2)[C@@H]1CO ZINC000089856641 1020317865 /nfs/dbraw/zinc/31/78/65/1020317865.db2.gz CVGXTALUCIFZJF-VQIMIIECSA-N 0 0 345.487 3.692 10 0 EHAERN CN(c1ccccc1NC(=O)NC[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000246632765 1020626805 /nfs/dbraw/zinc/62/68/05/1020626805.db2.gz XIFVZGWLGANGOA-DNVCBOLYSA-N 0 0 345.487 3.738 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408151476 1021352137 /nfs/dbraw/zinc/35/21/37/1021352137.db2.gz QODKEULDRLXASI-HOTGVXAUSA-N 0 0 346.814 3.779 10 0 EHAERN COc1c(C)cc(CN(C)CC(=O)N[C@@H](C)c2cccs2)cc1C ZINC000101566391 1022512057 /nfs/dbraw/zinc/51/20/57/1022512057.db2.gz YXHFXYYHYUPQIU-HNNXBMFYSA-N 0 0 346.496 3.683 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000588452471 1023024579 /nfs/dbraw/zinc/02/45/79/1023024579.db2.gz OXCGAGHBODEIHO-VURMDHGXSA-N 0 0 326.787 3.582 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000588455625 1023071647 /nfs/dbraw/zinc/07/16/47/1023071647.db2.gz WIIDSWAFQNQDLD-JZHDPFOFSA-N 0 0 338.451 3.551 10 0 EHAERN CC1(c2nc([C@H]3CSc4ccccc4O3)no2)CCC(=O)CC1 ZINC000333894945 1023228073 /nfs/dbraw/zinc/22/80/73/1023228073.db2.gz ZRDHHKUZUMNWPK-CYBMUJFWSA-N 0 0 330.409 3.696 10 0 EHAERN CC(C)(C)c1ncsc1C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190288697 1023279548 /nfs/dbraw/zinc/27/95/48/1023279548.db2.gz RLFMMKNKHZSWMF-ZDUSSCGKSA-N 0 0 330.453 3.954 10 0 EHAERN C[C@@H](NC(=O)N(C)[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000180323977 1023279584 /nfs/dbraw/zinc/27/95/84/1023279584.db2.gz RRAUKAKDUFGXNB-ZJUUUORDSA-N 0 0 326.853 3.599 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000180555784 1023298842 /nfs/dbraw/zinc/29/88/42/1023298842.db2.gz FFIMLFIRQMPYCA-GLJUWKHASA-N 0 0 326.444 3.761 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1nc2c(cccc2Cl)n1C ZINC000588473391 1023780916 /nfs/dbraw/zinc/78/09/16/1023780916.db2.gz UIRNYKIADYIAPY-HJWRWDBZSA-N 0 0 326.787 3.582 10 0 EHAERN CCc1cnc(NC(=O)NC2CCN(c3cccs3)CC2)s1 ZINC000150970512 1023994294 /nfs/dbraw/zinc/99/42/94/1023994294.db2.gz LAFHPGRDSVYXQD-UHFFFAOYSA-N 0 0 336.486 3.558 10 0 EHAERN O=C(NCc1ccc(Cl)s1)N[C@@H]1CCCc2c(O)cccc21 ZINC000191120524 1024032109 /nfs/dbraw/zinc/03/21/09/1024032109.db2.gz HOKOGGVSGRIXEJ-CYBMUJFWSA-N 0 0 336.844 3.984 10 0 EHAERN CC(C)c1nnc([C@H]2CCCCN2Cc2nc(C3CCCC3)no2)[nH]1 ZINC000329801161 1024200102 /nfs/dbraw/zinc/20/01/02/1024200102.db2.gz YQNLFCYABCMQSP-CQSZACIVSA-N 0 0 344.463 3.696 10 0 EHAERN CCO[C@@H]1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)C[C@H]1C ZINC000333661960 1024348733 /nfs/dbraw/zinc/34/87/33/1024348733.db2.gz MIPXKFRSLLMSMZ-RHSMWYFYSA-N 0 0 348.491 3.747 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000588490074 1024593141 /nfs/dbraw/zinc/59/31/41/1024593141.db2.gz KDRQHKXPLOODRV-MQGIHEMASA-N 0 0 337.394 3.887 10 0 EHAERN Cc1c(C(=O)N2CCCC[C@@H]2CC(C)C)cccc1N1CCNC1=O ZINC000138389254 1024697288 /nfs/dbraw/zinc/69/72/88/1024697288.db2.gz FTDGYZRTFLIHBR-MRXNPFEDSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C(C)(C)Cc3ccccc3)CCO2)o1 ZINC000151801146 1024698824 /nfs/dbraw/zinc/69/88/24/1024698824.db2.gz UEZGEALMZSREFN-GOSISDBHSA-N 0 0 327.424 3.757 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)CCO2)o1 ZINC000151822913 1024750214 /nfs/dbraw/zinc/75/02/14/1024750214.db2.gz DEJLPZLBNTUFOJ-LMFLDHGRSA-N 0 0 329.440 3.704 10 0 EHAERN CC[C@H](C(=O)N1CCC(NC(=O)C(F)=C(C)C)CC1)c1ccccc1 ZINC000151840566 1024799914 /nfs/dbraw/zinc/79/99/14/1024799914.db2.gz GMUYKBGYWSRXKX-KRWDZBQOSA-N 0 0 346.446 3.551 10 0 EHAERN Cc1noc(-c2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000152119229 1025215242 /nfs/dbraw/zinc/21/52/42/1025215242.db2.gz ZUJHQNWDSDVWKX-UHFFFAOYSA-N 0 0 345.402 3.975 10 0 EHAERN O=C1COc2ccc(/C=C(\Cl)c3nc4ccccc4o3)cc2N1 ZINC000588615444 1033291828 /nfs/dbraw/zinc/29/18/28/1033291828.db2.gz BJPXNHZXAUGIAH-XFFZJAGNSA-N 0 0 326.739 3.896 10 0 EHAERN C[C@@H]1CCC[C@H]1c1nc(-c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)no1 ZINC000329555620 1025997352 /nfs/dbraw/zinc/99/73/52/1025997352.db2.gz HCMSGGJAZHDQQE-AJAPIDPKSA-N 0 0 340.383 3.740 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cnc(C)s3)C2)cc1 ZINC000121985971 1026068584 /nfs/dbraw/zinc/06/85/84/1026068584.db2.gz PCHQZPINNBCGDG-UHBMGKAKSA-N 0 0 342.464 3.878 10 0 EHAERN COc1ccc(CN(C)C(=O)C2(c3ccc(F)cc3)CC2)cc1C ZINC000103022189 1026100010 /nfs/dbraw/zinc/10/00/10/1026100010.db2.gz BGSNTSRNDDGSKU-UHFFFAOYSA-N 0 0 327.399 3.833 10 0 EHAERN CCC[C@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(C)C ZINC000122418916 1026462600 /nfs/dbraw/zinc/46/26/00/1026462600.db2.gz XYSABXVPTXQZCB-SFHVURJKSA-N 0 0 336.520 3.700 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)c1cccs1 ZINC000152641981 1026480144 /nfs/dbraw/zinc/48/01/44/1026480144.db2.gz MEGSPDCIYANBRU-SOUVJXGZSA-N 0 0 332.473 3.688 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cccc(N3CCCC3=O)c2)[C@H]2CCCC[C@@H]12 ZINC000248411792 1026591865 /nfs/dbraw/zinc/59/18/65/1026591865.db2.gz DWOGOFSVTOTLTC-JLSDUUJJSA-N 0 0 341.455 3.856 10 0 EHAERN Cn1cc(-c2cccc(CNc3nc4ccccc4cc3CO)c2)cn1 ZINC000301849710 1026963954 /nfs/dbraw/zinc/96/39/54/1026963954.db2.gz ANZYLGJTBHXBOV-UHFFFAOYSA-N 0 0 344.418 3.740 10 0 EHAERN O=C(NCc1nc(C2CC2)cs1)N1CCC[C@@H](c2nccs2)C1 ZINC000123363260 1027188436 /nfs/dbraw/zinc/18/84/36/1027188436.db2.gz UHYQPFYJOOKAOD-GFCCVEGCSA-N 0 0 348.497 3.566 10 0 EHAERN O=C(c1c(Cl)nc2ccccn21)N1CC=C(c2ccccc2)CC1 ZINC000044884649 1027241729 /nfs/dbraw/zinc/24/17/29/1027241729.db2.gz DMRICIRBONKFIL-UHFFFAOYSA-N 0 0 337.810 3.917 10 0 EHAERN CC[C@H](NC(=O)N1CCC2(CCCC2)CC1)c1c(C)nn(C)c1C ZINC000076200725 1027261939 /nfs/dbraw/zinc/26/19/39/1027261939.db2.gz BQVHSTZOCBNJQX-INIZCTEOSA-N 0 0 332.492 3.854 10 0 EHAERN C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccncc1 ZINC000045562358 1027315579 /nfs/dbraw/zinc/31/55/79/1027315579.db2.gz GWHMSKJYNCKOFN-MRXNPFEDSA-N 0 0 339.439 3.533 10 0 EHAERN c1cnn([C@@H]2CCCC[C@H]2NCc2noc(C3CCCCC3)n2)c1 ZINC000128451943 1027437703 /nfs/dbraw/zinc/43/77/03/1027437703.db2.gz WGLPVXUNOCSBQM-HZPDHXFCSA-N 0 0 329.448 3.587 10 0 EHAERN O=C(Nc1cccnc1Cl)NC1CCN(c2cccs2)CC1 ZINC000128625161 1027460168 /nfs/dbraw/zinc/46/01/68/1027460168.db2.gz ZLVKEDKYEWXLFW-UHFFFAOYSA-N 0 0 336.848 3.587 10 0 EHAERN O=C1CCCc2cc(N[C@@H](c3ncc[nH]3)c3ccccc3)ccc2N1 ZINC000129471191 1027558925 /nfs/dbraw/zinc/55/89/25/1027558925.db2.gz VRCXSJIIMGNIER-LJQANCHMSA-N 0 0 332.407 3.886 10 0 EHAERN COCCC1(C(=O)N2CCC(Nc3ccccc3F)CC2)CCCC1 ZINC000131105195 1027737712 /nfs/dbraw/zinc/73/77/12/1027737712.db2.gz MZXQRZSCXGJBCG-UHFFFAOYSA-N 0 0 348.462 3.826 10 0 EHAERN Cc1cc(Cl)ncc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000132270477 1027904579 /nfs/dbraw/zinc/90/45/79/1027904579.db2.gz QPOZGBRLIYAWIG-NSHDSACASA-N 0 0 336.848 3.911 10 0 EHAERN COc1cc(C)cc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000132935538 1027979810 /nfs/dbraw/zinc/97/98/10/1027979810.db2.gz YWUACXAGEYASLQ-OAHLLOKOSA-N 0 0 345.468 3.549 10 0 EHAERN COc1ccc(CCCC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000133556839 1028042625 /nfs/dbraw/zinc/04/26/25/1028042625.db2.gz XMJBPEASQFPSRO-LJQANCHMSA-N 0 0 343.423 3.519 10 0 EHAERN COc1ccc([C@H](C)CC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000133823744 1028070838 /nfs/dbraw/zinc/07/08/38/1028070838.db2.gz MZAYGIRVVVNNNI-KUHUBIRLSA-N 0 0 343.423 3.690 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(C(F)(F)F)ccc1F ZINC000246262704 1028106397 /nfs/dbraw/zinc/10/63/97/1028106397.db2.gz ZHUWNAMFFVXNIR-LERXQTSPSA-N 0 0 343.320 3.532 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1Cl ZINC000134597528 1028131451 /nfs/dbraw/zinc/13/14/51/1028131451.db2.gz JRXHSOHIRWYUJV-ZFWWWQNUSA-N 0 0 345.830 3.659 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000134598032 1028131612 /nfs/dbraw/zinc/13/16/12/1028131612.db2.gz APKMNNGXYNKJIG-SUMWQHHRSA-N 0 0 345.830 3.659 10 0 EHAERN O=C(c1ccnc(Cl)c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000066457922 1028323230 /nfs/dbraw/zinc/32/32/30/1028323230.db2.gz COKJTYSJDOLECD-UHFFFAOYSA-N 0 0 333.794 3.591 10 0 EHAERN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000067047937 1028354019 /nfs/dbraw/zinc/35/40/19/1028354019.db2.gz HPDBHOVUGDITOZ-ZDUSSCGKSA-N 0 0 348.493 3.882 10 0 EHAERN Cc1ccc(OC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1C ZINC000060913942 1028421242 /nfs/dbraw/zinc/42/12/42/1028421242.db2.gz WMIIMNNCLWDYKR-UHFFFAOYSA-N 0 0 343.448 3.823 10 0 EHAERN O=C([C@@H]1CCCc2cccnc21)N1CCCc2cc(F)c(F)cc21 ZINC000193988364 1028481416 /nfs/dbraw/zinc/48/14/16/1028481416.db2.gz CFKZAFHICVZNPQ-CQSZACIVSA-N 0 0 328.362 3.759 10 0 EHAERN Cc1nnc([C@@H]2Cc3ccccc3CN2c2cnc3ccccc3n2)o1 ZINC000194219737 1028501609 /nfs/dbraw/zinc/50/16/09/1028501609.db2.gz KZFSMVYZCOFUOV-SFHVURJKSA-N 0 0 343.390 3.625 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)o1 ZINC000333598829 1028516222 /nfs/dbraw/zinc/51/62/22/1028516222.db2.gz QCCJAQVZPFOLTQ-ZMZXKLSGSA-N 0 0 330.350 3.775 10 0 EHAERN COc1cc(C)sc1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000072787667 1028517788 /nfs/dbraw/zinc/51/77/88/1028517788.db2.gz HZFVJRXTILSNJO-UHFFFAOYSA-N 0 0 336.482 3.850 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2cccc(Cl)c2C)c2ccccc2)[nH]1 ZINC000194552001 1028542135 /nfs/dbraw/zinc/54/21/35/1028542135.db2.gz JXDULPQDERQJLN-INIZCTEOSA-N 0 0 340.814 3.594 10 0 EHAERN Fc1ccc2c(c1)[C@@H](N[C@@H](c1cccs1)c1ncc[nH]1)CCO2 ZINC000195125404 1028584441 /nfs/dbraw/zinc/58/44/41/1028584441.db2.gz ISHKFIARNWNDOH-BBRMVZONSA-N 0 0 329.400 3.813 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)C3CCCCCC3)CC2)nc1 ZINC000074435109 1028614359 /nfs/dbraw/zinc/61/43/59/1028614359.db2.gz YDANBBZPLMZLPT-UHFFFAOYSA-N 0 0 344.503 3.723 10 0 EHAERN O[C@H](C[C@H]1CCCN1c1cnc2ccccc2n1)c1cccs1 ZINC000246498552 1028631171 /nfs/dbraw/zinc/63/11/71/1028631171.db2.gz MYKNJFFDBNIXSY-CZUORRHYSA-N 0 0 325.437 3.784 10 0 EHAERN CC(C)c1ccccc1OCCC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246569578 1028657651 /nfs/dbraw/zinc/65/76/51/1028657651.db2.gz FLXFLKODZLAFLS-YQVWRLOYSA-N 0 0 331.456 3.653 10 0 EHAERN C[C@H](c1nc(-c2cccnc2)no1)N1CC=C(c2ccccc2)CC1 ZINC000075476834 1028668232 /nfs/dbraw/zinc/66/82/32/1028668232.db2.gz NMNIBJPLDSGFLU-OAHLLOKOSA-N 0 0 332.407 3.982 10 0 EHAERN CC(C)=C(F)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000153740603 1028679327 /nfs/dbraw/zinc/67/93/27/1028679327.db2.gz XVXWPESVESGKHB-INIZCTEOSA-N 0 0 325.811 3.875 10 0 EHAERN CCS[C@H]1CCCCN([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000246709379 1028680107 /nfs/dbraw/zinc/68/01/07/1028680107.db2.gz ZKEZYPLMTYJVDQ-OLZOCXBDSA-N 0 0 341.908 3.670 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)cc1 ZINC000246725199 1028682072 /nfs/dbraw/zinc/68/20/72/1028682072.db2.gz VTTVASJHAVPGHQ-AXAPSJFSSA-N 0 0 342.266 3.984 10 0 EHAERN O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000075497068 1028684893 /nfs/dbraw/zinc/68/48/93/1028684893.db2.gz VSZDUIMLRSZAID-UHFFFAOYSA-N 0 0 345.393 3.751 10 0 EHAERN Cc1csc([C@H](NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)C2CC2)n1 ZINC000246766407 1028689473 /nfs/dbraw/zinc/68/94/73/1028689473.db2.gz LPFPNBJOPYNESL-XZJROXQQSA-N 0 0 328.437 3.584 10 0 EHAERN CCCn1c2ccccc2nc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000246838596 1028699872 /nfs/dbraw/zinc/69/98/72/1028699872.db2.gz RVIOHYYSILCEOM-LPHOPBHVSA-N 0 0 337.471 3.726 10 0 EHAERN CC(C)(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccs1 ZINC000247000287 1028724769 /nfs/dbraw/zinc/72/47/69/1028724769.db2.gz PYEXKBDWHRWRQR-NGFQHRJXSA-N 0 0 336.501 3.948 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)[C@H]2CCCc3c2cnn3C)o1 ZINC000247052905 1028737072 /nfs/dbraw/zinc/73/70/72/1028737072.db2.gz ZITXLMHXWLXMDY-LKRCEORTSA-N 0 0 339.439 3.686 10 0 EHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)o1 ZINC000247106706 1028744363 /nfs/dbraw/zinc/74/43/63/1028744363.db2.gz ZVPVFXLBJRMKNQ-MKPRLJHVSA-N 0 0 327.380 3.609 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c(F)c1 ZINC000247393845 1028786386 /nfs/dbraw/zinc/78/63/86/1028786386.db2.gz LTJNBUQGONTVKK-YSVLISHTSA-N 0 0 336.407 3.692 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000247631967 1028806768 /nfs/dbraw/zinc/80/67/68/1028806768.db2.gz UVQOFAUCLKCKQT-UXLLHSPISA-N 0 0 348.443 3.562 10 0 EHAERN FC(F)(F)c1ccc([C@@H]2CN(C[C@H]3CCCCO3)CCO2)cc1 ZINC000248414004 1028897665 /nfs/dbraw/zinc/89/76/65/1028897665.db2.gz GOXRBHWLWCZVFW-CVEARBPZSA-N 0 0 329.362 3.648 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248633648 1028932224 /nfs/dbraw/zinc/93/22/24/1028932224.db2.gz JAJBYKNRZHZXPL-MUKKUYKPSA-N 0 0 346.446 3.562 10 0 EHAERN CN1CC[C@H](NC(=O)Nc2ccsc2)[C@H]1c1ccc(F)c(F)c1 ZINC000249107611 1028985710 /nfs/dbraw/zinc/98/57/10/1028985710.db2.gz XJLZWLWXASVOPC-LSDHHAIUSA-N 0 0 337.395 3.593 10 0 EHAERN C[C@@H]1CN(C(=O)NC[C@H](CCO)c2ccccc2)[C@@H]1c1ccccc1 ZINC000245671202 1028991326 /nfs/dbraw/zinc/99/13/26/1028991326.db2.gz FJKVCSJQGOYTGC-UXPWSPDFSA-N 0 0 338.451 3.555 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCC(c2ccsc2)CC1 ZINC000249152408 1028993944 /nfs/dbraw/zinc/99/39/44/1028993944.db2.gz XZJSAKOFTDLULX-BRWVUGGUSA-N 0 0 346.496 3.595 10 0 EHAERN COc1cc(F)c(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OC ZINC000248440941 1029027738 /nfs/dbraw/zinc/02/77/38/1029027738.db2.gz UXFPKRAUMYULIZ-HUBLWGQQSA-N 0 0 336.407 3.885 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C)C2 ZINC000076960265 1029059072 /nfs/dbraw/zinc/05/90/72/1029059072.db2.gz XFSVKQXQYPJZQJ-WOJBJXKFSA-N 0 0 348.446 3.642 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)c(F)c3)CC2)nc1 ZINC000154415343 1029173156 /nfs/dbraw/zinc/17/31/56/1029173156.db2.gz IVIFIJZCZQLKFQ-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cnc(Cl)c(C)c3)CCO2)o1 ZINC000154483060 1029198876 /nfs/dbraw/zinc/19/88/76/1029198876.db2.gz LXMMMXMCHIKSLZ-AWEZNQCLSA-N 0 0 335.791 3.550 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3ccccc3O)C2)cc1 ZINC000078187565 1029239141 /nfs/dbraw/zinc/23/91/41/1029239141.db2.gz CTQSBOZKHHTXAD-MAUKXSAKSA-N 0 0 339.435 3.738 10 0 EHAERN CN(Cc1cccc(F)c1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155548702 1029568686 /nfs/dbraw/zinc/56/86/86/1029568686.db2.gz YDJLNRZUGXHIFH-UHFFFAOYSA-N 0 0 347.459 3.698 10 0 EHAERN Cc1cc2occ(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)c2cc1C ZINC000408304535 1029609378 /nfs/dbraw/zinc/60/93/78/1029609378.db2.gz YZOKATOSZXZSDF-MRXNPFEDSA-N 0 0 341.329 3.579 10 0 EHAERN CCOc1ccccc1CNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114825346 1029861077 /nfs/dbraw/zinc/86/10/77/1029861077.db2.gz KIGYCLXJBTUFKL-HNNXBMFYSA-N 0 0 345.468 3.631 10 0 EHAERN O=c1cc(C2CCC2)ncn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089703118 1029974948 /nfs/dbraw/zinc/97/49/48/1029974948.db2.gz DPIYITCNGKBHTR-UHFFFAOYSA-N 0 0 341.798 3.868 10 0 EHAERN COc1ccc([C@@H](N[C@H](C)c2cnc(C)s2)c2nccn2C)cc1 ZINC000090401989 1030112761 /nfs/dbraw/zinc/11/27/61/1030112761.db2.gz XCELSZJAZONVLT-SJKOYZFVSA-N 0 0 342.468 3.634 10 0 EHAERN O=C(CC1CCCC1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678285 1030157810 /nfs/dbraw/zinc/15/78/10/1030157810.db2.gz CMMDOPIKZWLJTB-UHFFFAOYSA-N 0 0 339.439 3.580 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000091080054 1030220296 /nfs/dbraw/zinc/22/02/96/1030220296.db2.gz XXGDKTMGWMBBIF-ZGKFYVQTSA-N 0 0 346.434 3.952 10 0 EHAERN CC[C@H](NC(=O)N1CCC(Cn2cccn2)CC1)c1cccs1 ZINC000157280109 1030404279 /nfs/dbraw/zinc/40/42/79/1030404279.db2.gz QFVQBYALTUXXCP-HNNXBMFYSA-N 0 0 332.473 3.518 10 0 EHAERN CC(C)c1nn(C)c(Cl)c1CN1CCO[C@@H](c2cccs2)C1 ZINC000092594293 1030492572 /nfs/dbraw/zinc/49/25/72/1030492572.db2.gz LVGCUHATBWBLMD-CYBMUJFWSA-N 0 0 339.892 3.832 10 0 EHAERN CC(C)c1nn(C)c(Cl)c1CN1CCO[C@@H](c2ccsc2)C1 ZINC000093768449 1030671880 /nfs/dbraw/zinc/67/18/80/1030671880.db2.gz CFTMFDMLQCYZMV-CQSZACIVSA-N 0 0 339.892 3.832 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccncc1 ZINC000171003347 1030710914 /nfs/dbraw/zinc/71/09/14/1030710914.db2.gz KVGAKTUBXUXPCY-CQSZACIVSA-N 0 0 342.418 3.568 10 0 EHAERN COc1ccc(Cl)cc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171615778 1030768085 /nfs/dbraw/zinc/76/80/85/1030768085.db2.gz SWPRQUPSPBZCCX-UHFFFAOYSA-N 0 0 344.842 3.839 10 0 EHAERN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171644574 1030773057 /nfs/dbraw/zinc/77/30/57/1030773057.db2.gz MNVNMHNUDHJIFG-INIZCTEOSA-N 0 0 337.448 3.954 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000172041882 1030864973 /nfs/dbraw/zinc/86/49/73/1030864973.db2.gz HKQZAAVXUSBKES-XXFAHNHDSA-N 0 0 331.755 3.572 10 0 EHAERN COc1ccc(OC)c(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000172212209 1030870685 /nfs/dbraw/zinc/87/06/85/1030870685.db2.gz NBUVUJIUPVXREE-GFCCVEGCSA-N 0 0 347.440 3.572 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000172215452 1030870704 /nfs/dbraw/zinc/87/07/04/1030870704.db2.gz DWDRIPOTRCNXBU-ZDUSSCGKSA-N 0 0 331.441 3.872 10 0 EHAERN Cc1cc(C(=O)N2CCN(C3CC3)CC2)sc1-c1ccc(F)cc1 ZINC000102341073 1030914539 /nfs/dbraw/zinc/91/45/39/1030914539.db2.gz HXJZSZSBZVORNP-UHFFFAOYSA-N 0 0 344.455 3.783 10 0 EHAERN C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)c1ccncc1 ZINC000115784642 1030917595 /nfs/dbraw/zinc/91/75/95/1030917595.db2.gz IXIWBDIABZWVMA-WMLDXEAASA-N 0 0 327.453 3.642 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3F)CC2)nc1 ZINC000157903733 1030945142 /nfs/dbraw/zinc/94/51/42/1030945142.db2.gz SGHHSBDTMCVOID-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN CC[C@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)c1cccs1 ZINC000157907185 1030947127 /nfs/dbraw/zinc/94/71/27/1030947127.db2.gz IDYYCPGAFJNRIM-UONOGXRCSA-N 0 0 332.473 3.652 10 0 EHAERN O=C([C@@H]1CSc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000172379388 1030953326 /nfs/dbraw/zinc/95/33/26/1030953326.db2.gz JXDUQHPJOPXMMW-GXTWGEPZSA-N 0 0 330.478 3.739 10 0 EHAERN O=C(c1cc(F)ccc1F)N1CCC(Nc2ccccc2F)CC1 ZINC000174085419 1031163796 /nfs/dbraw/zinc/16/37/96/1031163796.db2.gz FDQYGGTXOMGSQW-UHFFFAOYSA-N 0 0 334.341 3.821 10 0 EHAERN CO[C@@H](C(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000174080538 1031164188 /nfs/dbraw/zinc/16/41/88/1031164188.db2.gz MBDUHUAYZYNBHK-LJQANCHMSA-N 0 0 342.414 3.616 10 0 EHAERN O=C(c1cc(Cl)ccc1O)N1CCC(Nc2ccccc2F)CC1 ZINC000174127277 1031169263 /nfs/dbraw/zinc/16/92/63/1031169263.db2.gz RSEMCVRDMVUNGO-UHFFFAOYSA-N 0 0 348.805 3.901 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC[C@@H]3CC[C@H](C)O3)C2)cc1 ZINC000174015901 1031193198 /nfs/dbraw/zinc/19/31/98/1031193198.db2.gz KDHHEYBEZOWZAL-BVYOLEPJSA-N 0 0 331.456 3.747 10 0 EHAERN CC[C@@H]1CCC[C@@H](NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000155992583 1031289473 /nfs/dbraw/zinc/28/94/73/1031289473.db2.gz IHSHCZSRFIRQBG-HUUCEWRRSA-N 0 0 332.492 3.580 10 0 EHAERN O=C(N[C@H]1COc2ccccc21)N1CCC(OCC2CCCC2)CC1 ZINC000175395279 1031300221 /nfs/dbraw/zinc/30/02/21/1031300221.db2.gz NHEWTSJGALYMKA-SFHVURJKSA-N 0 0 344.455 3.501 10 0 EHAERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCn2ccnc21 ZINC000175930876 1031370306 /nfs/dbraw/zinc/37/03/06/1031370306.db2.gz BQQBYSWLVPOAPH-GFCCVEGCSA-N 0 0 338.238 3.726 10 0 EHAERN COc1ccc([C@@H](C)CC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000176021364 1031406987 /nfs/dbraw/zinc/40/69/87/1031406987.db2.gz LLMSDXGEXDWXGW-ZDUSSCGKSA-N 0 0 337.379 3.878 10 0 EHAERN C/C(=C\C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(F)cc1 ZINC000176702330 1031450766 /nfs/dbraw/zinc/45/07/66/1031450766.db2.gz SWLWPZGRUAHWIN-SICOMBFOSA-N 0 0 342.418 3.595 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCCC[C@H]3C)CC2)n1 ZINC000117057575 1031545743 /nfs/dbraw/zinc/54/57/43/1031545743.db2.gz ICLDUYFNECBGGQ-QAPCUYQASA-N 0 0 344.503 3.579 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)CCO2)o1 ZINC000158786140 1031623615 /nfs/dbraw/zinc/62/36/15/1031623615.db2.gz YLUHPDPMOWPEHR-GOSISDBHSA-N 0 0 342.370 3.956 10 0 EHAERN CC(C)Sc1ccccc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178549765 1031677747 /nfs/dbraw/zinc/67/77/47/1031677747.db2.gz YDDZXNGZMXNSRE-WMZOPIPTSA-N 0 0 327.449 3.575 10 0 EHAERN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117576532 1031757128 /nfs/dbraw/zinc/75/71/28/1031757128.db2.gz SMOJFTFUVHTFMI-MGPLVRAMSA-N 0 0 345.782 3.630 10 0 EHAERN CCCc1nc(C)c(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)s1 ZINC000179340715 1031768494 /nfs/dbraw/zinc/76/84/94/1031768494.db2.gz MQEXEAZWVZAVOY-AWEZNQCLSA-N 0 0 334.441 3.519 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Oc1cccc(Oc2ncccn2)c1 ZINC000117641939 1031785755 /nfs/dbraw/zinc/78/57/55/1031785755.db2.gz RRUHMLULDOBTFL-FZKQIMNGSA-N 0 0 348.358 3.739 10 0 EHAERN CCc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1F ZINC000159023639 1031812116 /nfs/dbraw/zinc/81/21/16/1031812116.db2.gz RRTLOEONNMRJMK-UHFFFAOYSA-N 0 0 344.434 3.608 10 0 EHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC=C(c2cccs2)CC1 ZINC000117722936 1031843594 /nfs/dbraw/zinc/84/35/94/1031843594.db2.gz IXCPLXXALSPZPZ-AATRIKPKSA-N 0 0 347.871 3.773 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3ncc(Cl)cc3Cl)CCO2)o1 ZINC000180173047 1031864215 /nfs/dbraw/zinc/86/42/15/1031864215.db2.gz APLVPJBKDYPXGG-HNNXBMFYSA-N 0 0 327.211 3.863 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3ncc(-c4ccccc4F)o3)CCO2)o1 ZINC000159118961 1031879028 /nfs/dbraw/zinc/87/90/28/1031879028.db2.gz HFGBXIBWJWKGJC-SFHVURJKSA-N 0 0 342.370 3.956 10 0 EHAERN O=C(NCc1ccc(Cl)cn1)N1CC=C(c2cccs2)CC1 ZINC000181102685 1031945753 /nfs/dbraw/zinc/94/57/53/1031945753.db2.gz GHJCSOYLMPWVDT-UHFFFAOYSA-N 0 0 333.844 3.795 10 0 EHAERN CCc1cc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)ccc1C ZINC000181975037 1032050322 /nfs/dbraw/zinc/05/03/22/1032050322.db2.gz XKVZAEBHGLPSJW-SFHVURJKSA-N 0 0 325.412 3.638 10 0 EHAERN Cc1c(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)oc2c1C(=O)CCC2 ZINC000298720755 1034484062 /nfs/dbraw/zinc/48/40/62/1034484062.db2.gz KXBQJVNAVMMPCM-QWRGUYRKSA-N 0 0 343.345 3.958 10 0 EHAERN Cc1nc2ccccc2c(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c1C(C)C ZINC000372816362 1034714125 /nfs/dbraw/zinc/71/41/25/1034714125.db2.gz ALJOYNZCCASUHW-IAGOWNOFSA-N 0 0 348.450 3.564 10 0 EHAERN CCC1(C(=O)NC2CCN(c3ccc(C)cn3)CC2)CCCCC1 ZINC000185889748 1035557142 /nfs/dbraw/zinc/55/71/42/1035557142.db2.gz AJABKQXPKHWUGT-UHFFFAOYSA-N 0 0 329.488 3.836 10 0 EHAERN CC(C)CC1(C(=O)N2CCCN(c3ccccn3)CC2)CCCC1 ZINC000186437094 1035632568 /nfs/dbraw/zinc/63/25/68/1035632568.db2.gz MYRDAUVGCXGOLE-UHFFFAOYSA-N 0 0 329.488 3.727 10 0 EHAERN CCO[C@H]1C[C@H](Nc2ccc(-c3ncco3)cc2)C12CCOCC2 ZINC000186493595 1035643711 /nfs/dbraw/zinc/64/37/11/1035643711.db2.gz CJFUHENQYDRXPQ-IRXDYDNUSA-N 0 0 328.412 3.728 10 0 EHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1nc2ccccc2n1C ZINC000186554184 1035656938 /nfs/dbraw/zinc/65/69/38/1035656938.db2.gz IMWRWBBCDQQRER-LBPRGKRZSA-N 0 0 335.411 3.724 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](C)C1 ZINC000186677552 1035683688 /nfs/dbraw/zinc/68/36/88/1035683688.db2.gz MPNITYXRYZOMQL-STQMWFEESA-N 0 0 330.432 3.564 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)co1 ZINC000186963220 1035752530 /nfs/dbraw/zinc/75/25/30/1035752530.db2.gz CTXINNFZIXJXMC-INIZCTEOSA-N 0 0 335.407 3.998 10 0 EHAERN C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)C1CCCCC1 ZINC000187261279 1035799965 /nfs/dbraw/zinc/79/99/65/1035799965.db2.gz PHDHISLLPVFFIM-ZDUSSCGKSA-N 0 0 336.505 3.698 10 0 EHAERN CC(C)Oc1ccc(CC(=O)NC[C@H]2CCOc3ccccc32)cc1 ZINC000187778935 1035860467 /nfs/dbraw/zinc/86/04/67/1035860467.db2.gz CXXKQEBYSXDXOP-QGZVFWFLSA-N 0 0 339.435 3.699 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000129091398 1035883187 /nfs/dbraw/zinc/88/31/87/1035883187.db2.gz KJJLPBRWISMCKA-JTQLQIEISA-N 0 0 343.383 3.514 10 0 EHAERN CCc1cccc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188363715 1035916218 /nfs/dbraw/zinc/91/62/18/1035916218.db2.gz MMLUUTZKOKDZEP-UHFFFAOYSA-N 0 0 330.457 3.814 10 0 EHAERN CN1Cc2cc(N[C@H](c3ncc[nH]3)c3ccccc3)ccc2NC1=O ZINC000188486487 1035942638 /nfs/dbraw/zinc/94/26/38/1035942638.db2.gz MIRQEDZPIZORQT-KRWDZBQOSA-N 0 0 333.395 3.589 10 0 EHAERN COc1c(C)cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cc1C ZINC000188471074 1035942827 /nfs/dbraw/zinc/94/28/27/1035942827.db2.gz FHHSLPPOJSNWFJ-HNNXBMFYSA-N 0 0 328.460 3.604 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(-c2ccco2)nc2ccccc21 ZINC000188747216 1035963832 /nfs/dbraw/zinc/96/38/32/1035963832.db2.gz BQBIOOFYZNKQJU-ZTQAJYAQSA-N 0 0 348.402 3.792 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000332717918 1036000636 /nfs/dbraw/zinc/00/06/36/1036000636.db2.gz USEHXGCUQITIRP-XOYOTBSWSA-N 0 0 345.487 3.816 10 0 EHAERN CC[C@@H]1CN(C(=O)Nc2cn(C)nc2C)CC[C@@H]1c1ccccc1 ZINC000189619224 1036099594 /nfs/dbraw/zinc/09/95/94/1036099594.db2.gz VZSIQAIDXWKSNW-WBVHZDCISA-N 0 0 326.444 3.776 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189893911 1036140483 /nfs/dbraw/zinc/14/04/83/1036140483.db2.gz VIAMYKOXIFASSU-AWEZNQCLSA-N 0 0 344.484 3.799 10 0 EHAERN c1cc2c(ncnc2NCc2ccccc2OCc2ccccc2)[nH]1 ZINC000588896818 1036172615 /nfs/dbraw/zinc/17/26/15/1036172615.db2.gz SFMXBQHOSSSDBB-UHFFFAOYSA-N 0 0 330.391 3.571 10 0 EHAERN Cc1noc([C@H]2CCCCN2C(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000332820975 1036230000 /nfs/dbraw/zinc/23/00/00/1036230000.db2.gz LUWKZQBELSGZQX-DLBZAZTESA-N 0 0 340.427 3.692 10 0 EHAERN CC[C@@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccc(F)cc1 ZINC000190377792 1036231586 /nfs/dbraw/zinc/23/15/86/1036231586.db2.gz RBNANAKDSNAMJB-MRXNPFEDSA-N 0 0 347.459 3.879 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2cc(-c3cccnc3)on2)n1 ZINC000190392680 1036235065 /nfs/dbraw/zinc/23/50/65/1036235065.db2.gz WHXNWFPRXUOKEF-WFASDCNBSA-N 0 0 340.383 3.705 10 0 EHAERN COCCCCCNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190427874 1036237552 /nfs/dbraw/zinc/23/75/52/1036237552.db2.gz CUMMGSUATXSIJH-CQSZACIVSA-N 0 0 340.414 3.671 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)Nc1ccsc1Cl)[C@H]2C ZINC000190431535 1036241013 /nfs/dbraw/zinc/24/10/13/1036241013.db2.gz JEQLTTLRAKTWMW-VIFPVBQESA-N 0 0 339.852 3.725 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000191236209 1036353734 /nfs/dbraw/zinc/35/37/34/1036353734.db2.gz KTRVMIHDLNKWSQ-LRDDRELGSA-N 0 0 343.427 3.526 10 0 EHAERN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191530673 1036410087 /nfs/dbraw/zinc/41/00/87/1036410087.db2.gz ZMOCQVACIMXDFP-CQSZACIVSA-N 0 0 347.409 3.644 10 0 EHAERN C[C@@H](NC(=O)N1CCC(O)(c2ccccc2Cl)CC1)C(C)(C)C ZINC000192445243 1036509082 /nfs/dbraw/zinc/50/90/82/1036509082.db2.gz TUOYGEMMZPSYDL-CYBMUJFWSA-N 0 0 338.879 3.768 10 0 EHAERN CC(C)N(CC1CCC1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000193008125 1036572260 /nfs/dbraw/zinc/57/22/60/1036572260.db2.gz CYWINVVLTLBODO-MRXNPFEDSA-N 0 0 332.469 3.527 10 0 EHAERN COc1cccc(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)n1 ZINC000102800526 1036792966 /nfs/dbraw/zinc/79/29/66/1036792966.db2.gz PUWOKVLUIWOTQR-UHFFFAOYSA-N 0 0 343.280 3.570 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000104459643 1037043367 /nfs/dbraw/zinc/04/33/67/1037043367.db2.gz JGOUZNYLFFNZBP-UHFFFAOYSA-N 0 0 349.434 3.504 10 0 EHAERN CCC(CC)CNC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000104802320 1037098291 /nfs/dbraw/zinc/09/82/91/1037098291.db2.gz NOUIGDKIDRTPAW-UHFFFAOYSA-N 0 0 330.375 3.532 10 0 EHAERN COc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000105211513 1037159567 /nfs/dbraw/zinc/15/95/67/1037159567.db2.gz QHYNYRIQPAMFLS-GOSISDBHSA-N 0 0 343.402 3.570 10 0 EHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c2ccccc2O1 ZINC000285483498 1037167357 /nfs/dbraw/zinc/16/73/57/1037167357.db2.gz QXEMHLBHIQMLQH-LZLYRXPVSA-N 0 0 344.455 3.642 10 0 EHAERN CCC(C)(C)NC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000105658741 1037233385 /nfs/dbraw/zinc/23/33/85/1037233385.db2.gz HRQFOSRCMVHNIK-XMMPIXPASA-N 0 0 343.492 3.830 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C[C@@H](C)C1 ZINC000157948186 1037238747 /nfs/dbraw/zinc/23/87/47/1037238747.db2.gz XTXDGLBBXXVRDZ-HOTGVXAUSA-N 0 0 343.471 3.823 10 0 EHAERN COc1ccsc1C(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000105943856 1037262005 /nfs/dbraw/zinc/26/20/05/1037262005.db2.gz UBVLOIWVTIRLSC-CQSZACIVSA-N 0 0 347.436 3.751 10 0 EHAERN CCOc1ccc(CNC(=O)c2c(C)[nH]c3ccccc32)cc1F ZINC000106033762 1037281573 /nfs/dbraw/zinc/28/15/73/1037281573.db2.gz BNZLYWGYAPZYDE-UHFFFAOYSA-N 0 0 326.371 3.944 10 0 EHAERN O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000104277313 1037470074 /nfs/dbraw/zinc/47/00/74/1037470074.db2.gz RCGCYCAGOOCEHC-HOTGVXAUSA-N 0 0 345.830 3.514 10 0 EHAERN Cc1nnc([C@@H](NC(=O)C[C@@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000103281993 1037587721 /nfs/dbraw/zinc/58/77/21/1037587721.db2.gz VEQGDFXVZUPYTM-KUHUBIRLSA-N 0 0 334.423 3.513 10 0 EHAERN CC(C)(C)CCCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000103428305 1037591033 /nfs/dbraw/zinc/59/10/33/1037591033.db2.gz MBSHKOBHORVGCW-UHFFFAOYSA-N 0 0 336.520 3.844 10 0 EHAERN Cc1cccc(-c2noc(C[S@](=O)CCc3ccccc3)n2)c1 ZINC000105689783 1037601295 /nfs/dbraw/zinc/60/12/95/1037601295.db2.gz OYLDJVFQNSDJNR-QHCPKHFHSA-N 0 0 326.421 3.536 10 0 EHAERN Cc1ccc(-c2nc(CCNC(=O)N[C@@H](C)CC3CC3)co2)cc1 ZINC000112747845 1037768397 /nfs/dbraw/zinc/76/83/97/1037768397.db2.gz HWRSWXURDYXQOW-AWEZNQCLSA-N 0 0 327.428 3.680 10 0 EHAERN O=C(NCCc1cccc(Cl)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114819819 1037809542 /nfs/dbraw/zinc/80/95/42/1037809542.db2.gz MLDLLOHILMVGIG-AWEZNQCLSA-N 0 0 349.887 3.928 10 0 EHAERN CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117601284 1037854290 /nfs/dbraw/zinc/85/42/90/1037854290.db2.gz JNWABBPLFUVPPI-UGSOOPFHSA-N 0 0 338.407 3.784 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000119094835 1037881107 /nfs/dbraw/zinc/88/11/07/1037881107.db2.gz AKSYYSOWNVLHKK-ZDUSSCGKSA-N 0 0 341.430 3.975 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000121320691 1037959987 /nfs/dbraw/zinc/95/99/87/1037959987.db2.gz NKYADWNWEZPJSN-VLIAUNLRSA-N 0 0 347.418 3.600 10 0 EHAERN Clc1ccc(-c2cnc(CN3CCCC[C@@H]3c3nc[nH]n3)o2)cc1 ZINC000121767903 1037970723 /nfs/dbraw/zinc/97/07/23/1037970723.db2.gz XGYRQMXFWKBZBP-CQSZACIVSA-N 0 0 343.818 3.840 10 0 EHAERN COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)c(C)n1 ZINC000123833011 1038087885 /nfs/dbraw/zinc/08/78/85/1038087885.db2.gz UZPLVTQITGDMQO-UHFFFAOYSA-N 0 0 329.425 3.781 10 0 EHAERN Cc1cccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)n1 ZINC000125143246 1038282908 /nfs/dbraw/zinc/28/29/08/1038282908.db2.gz ULNFZROMYIGXBJ-UHFFFAOYSA-N 0 0 328.391 3.638 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000156508390 1038996503 /nfs/dbraw/zinc/99/65/03/1038996503.db2.gz VEYOLLVKQWEFIX-JOQOYGCGSA-N 0 0 336.863 3.738 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc([C@H]2CCCO2)s1 ZINC000245546652 1039628057 /nfs/dbraw/zinc/62/80/57/1039628057.db2.gz DMAQGVNCGDWMLW-GMTAPVOTSA-N 0 0 348.390 3.846 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cn1 ZINC000155079367 1040049329 /nfs/dbraw/zinc/04/93/29/1040049329.db2.gz PIOPBEYGESIWCI-RLFYNMQTSA-N 0 0 332.492 3.617 10 0 EHAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000332777428 1040121517 /nfs/dbraw/zinc/12/15/17/1040121517.db2.gz WBZRDTXPFKZHLP-BRWVUGGUSA-N 0 0 347.434 3.986 10 0 EHAERN O=C(N[C@H]1CCCc2ccc(F)cc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332943373 1040214502 /nfs/dbraw/zinc/21/45/02/1040214502.db2.gz MWAPVHQINUUHIL-QSFXBCCZSA-N 0 0 346.446 3.540 10 0 EHAERN CC(C)[C@H]1N(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC12CCC2 ZINC000332980217 1040711086 /nfs/dbraw/zinc/71/10/86/1040711086.db2.gz LSUFHLQVQDXLNR-RDTXWAMCSA-N 0 0 344.455 3.739 10 0 EHAERN C[C@H](O)C1CCN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000153025660 1040752712 /nfs/dbraw/zinc/75/27/12/1040752712.db2.gz JOFRSCLVRZBWRO-KBXCAEBGSA-N 0 0 330.472 3.503 10 0 EHAERN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000253613882 1041036283 /nfs/dbraw/zinc/03/62/83/1041036283.db2.gz WZTQJARHKFCZOS-CHWSQXEVSA-N 0 0 340.452 3.733 10 0 EHAERN C[C@]12CN(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333040038 1041088361 /nfs/dbraw/zinc/08/83/61/1041088361.db2.gz AHAMEQOVPOOQKQ-DOHHPOSVSA-N 0 0 336.439 3.977 10 0 EHAERN O=C1Nc2ccccc2[C@@H]1Cc1nc(CCCc2ccccc2)no1 ZINC000109575040 1041412959 /nfs/dbraw/zinc/41/29/59/1041412959.db2.gz HKVOUPDAIWGVEJ-INIZCTEOSA-N 0 0 333.391 3.523 10 0 EHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106524897 1041720242 /nfs/dbraw/zinc/72/02/42/1041720242.db2.gz AIGFTNODZLNGOO-WXRRBKDZSA-N 0 0 344.381 3.767 10 0 EHAERN CC(C)c1nc([C@@H]2COCCN2C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000408156780 1041894301 /nfs/dbraw/zinc/89/43/01/1041894301.db2.gz BYRKDBWEHOSIEW-ILXRZTDVSA-N 0 0 349.475 3.555 10 0 EHAERN Cc1sc2nc(C)nc(N3CCO[C@@H](c4nccs4)C3)c2c1C ZINC000408161183 1041940391 /nfs/dbraw/zinc/94/03/91/1041940391.db2.gz ZHUVAOWICRGSOU-GFCCVEGCSA-N 0 0 346.481 3.651 10 0 EHAERN O=C(NC1CCCC1)c1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1 ZINC000330253594 1042573332 /nfs/dbraw/zinc/57/33/32/1042573332.db2.gz OWAQKLWPFDSKJL-KBXCAEBGSA-N 0 0 341.455 3.765 10 0 EHAERN Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)cc2)n1 ZINC000330264326 1042721941 /nfs/dbraw/zinc/72/19/41/1042721941.db2.gz XTYYTQCZUSEJIM-WMLDXEAASA-N 0 0 338.411 3.984 10 0 EHAERN COc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000162520439 1042732498 /nfs/dbraw/zinc/73/24/98/1042732498.db2.gz ZTYMQDKWLGNKLN-CQSZACIVSA-N 0 0 344.480 3.836 10 0 EHAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1 ZINC000408231141 1042801393 /nfs/dbraw/zinc/80/13/93/1042801393.db2.gz LCZTUWGMDLCMJP-GOEBONIOSA-N 0 0 346.500 3.540 10 0 EHAERN COc1ccc(-c2cnc(CCC(=O)N3CC[C@H]4CCC[C@H]43)o2)cc1 ZINC000330291980 1042836639 /nfs/dbraw/zinc/83/66/39/1042836639.db2.gz DBAKDOVQNGTHBB-RHSMWYFYSA-N 0 0 340.423 3.684 10 0 EHAERN CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000122123118 1042862958 /nfs/dbraw/zinc/86/29/58/1042862958.db2.gz OWCIGRJYMANWDI-QGZVFWFLSA-N 0 0 343.471 3.506 10 0 EHAERN Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408340380 1043352430 /nfs/dbraw/zinc/35/24/30/1043352430.db2.gz NYMOAQHXIXGMBA-UGSOOPFHSA-N 0 0 336.501 3.516 10 0 EHAERN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)C[C@H]1CCCO1 ZINC000102905492 1127780330 /nfs/dbraw/zinc/78/03/30/1127780330.db2.gz PWYXVVUQAWMUEU-BXUZGUMPSA-N 0 0 345.270 3.745 10 0 EHAERN CC(C)(C)NC(=O)CSCc1cc(F)ccc1Br ZINC000105636908 1128470503 /nfs/dbraw/zinc/47/05/03/1128470503.db2.gz CQIYTFCDABZPOQ-UHFFFAOYSA-N 0 0 334.254 3.736 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)[C@@H]2CCCO2)s1 ZINC000189478243 1132445854 /nfs/dbraw/zinc/44/58/54/1132445854.db2.gz NBYYTAMAEFZTRJ-JSGCOSHPSA-N 0 0 331.441 3.808 10 0 EHAERN CN(C(=O)c1ccc(-n2cnnn2)cc1Cl)C1CCCCCCC1 ZINC000103782527 1133175958 /nfs/dbraw/zinc/17/59/58/1133175958.db2.gz NHXWFVBGGBLPOM-UHFFFAOYSA-N 0 0 347.850 3.501 10 0 EHAERN COc1ccc(SCCC(=O)OCc2cccnc2Cl)cc1 ZINC000103811874 1133555857 /nfs/dbraw/zinc/55/58/57/1133555857.db2.gz HCIFUQOMEDNPOI-UHFFFAOYSA-N 0 0 337.828 3.969 10 0 EHAERN O=C(OCc1nccn1Cc1ccccc1)c1cccc(F)c1F ZINC000102511194 1135578434 /nfs/dbraw/zinc/57/84/34/1135578434.db2.gz ZQVYHSTWKDUQNZ-UHFFFAOYSA-N 0 0 328.318 3.567 10 0 EHAERN COc1ccccc1CCN(C)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000104456724 1135816555 /nfs/dbraw/zinc/81/65/55/1135816555.db2.gz SLGLJBOHSYCAQA-BUHFOSPRSA-N 0 0 346.430 3.958 10 0 EHAERN CC[C@H](C)OC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000103666255 1137467721 /nfs/dbraw/zinc/46/77/21/1137467721.db2.gz WXCOUCPRZMORSB-ZDUSSCGKSA-N 0 0 345.468 3.638 10 0 EHAERN CCN(C)C(=O)c1cccc(C(=O)N(c2ccc(F)cc2)C(C)C)c1 ZINC000103783760 1137876930 /nfs/dbraw/zinc/87/69/30/1137876930.db2.gz UFCLRQKBXCOTKV-UHFFFAOYSA-N 0 0 342.414 3.973 10 0 EHAERN C[C@@H]1C[C@@H](NC(=O)N[C@H]2c3ccccc3CCC2(C)C)c2nccn21 ZINC000333215211 1137958445 /nfs/dbraw/zinc/95/84/45/1137958445.db2.gz KXCGVGFLSPWZCE-XYPHTWIQSA-N 0 0 338.455 3.902 10 0 EHAERN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1C[C@H]2CCC[C@H]21 ZINC000333361362 1138280952 /nfs/dbraw/zinc/28/09/52/1138280952.db2.gz UJQKLXNCZBDFGT-HLLBOEOZSA-N 0 0 330.428 3.651 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000333605911 1138310448 /nfs/dbraw/zinc/31/04/48/1138310448.db2.gz DIWKXXMWAYANDO-ODVANORSSA-N 0 0 336.863 3.531 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](O)C23CCCC3)c2ccccc21 ZINC000333986935 1138357662 /nfs/dbraw/zinc/35/76/62/1138357662.db2.gz HEKJYYBOURTGKD-ZTFGCOKTSA-N 0 0 328.456 3.714 10 0 EHAERN CC[C@@H](C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000184583474 1140109812 /nfs/dbraw/zinc/10/98/12/1140109812.db2.gz IEAHWUIHFOCQAH-CZUORRHYSA-N 0 0 343.431 3.741 10 0 EHAERN COc1cc(C)ccc1CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187160993 1140242080 /nfs/dbraw/zinc/24/20/80/1140242080.db2.gz DWQKZSOIEMRJKG-INIZCTEOSA-N 0 0 345.468 3.815 10 0 EHAERN COC(=O)[C@H]1CCN(C(=O)c2oc3c(cccc3Cl)c2C)C[C@H]1C ZINC000187969423 1140278317 /nfs/dbraw/zinc/27/83/17/1140278317.db2.gz YMYZPWOFCYUXNA-PWSUYJOCSA-N 0 0 349.814 3.666 10 0 EHAERN COc1ncc(C)cc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189072542 1140319571 /nfs/dbraw/zinc/31/95/71/1140319571.db2.gz WMTJYMFNHYDHJC-AWEZNQCLSA-N 0 0 332.429 3.533 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2cc(F)ccc2F)cs1 ZINC000189757209 1140362440 /nfs/dbraw/zinc/36/24/40/1140362440.db2.gz LVZYPOWHCMUIFS-HNNXBMFYSA-N 0 0 337.395 3.505 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cs1 ZINC000189791888 1140364589 /nfs/dbraw/zinc/36/45/89/1140364589.db2.gz OBTQDMKLBGJLBS-LBPRGKRZSA-N 0 0 332.454 3.900 10 0 EHAERN OCC1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000052243599 214122642 /nfs/dbraw/zinc/12/26/42/214122642.db2.gz RTSPJZXEIJJKKI-UHFFFAOYSA-N 0 0 325.437 3.567 10 0 EHAERN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004721066 210260503 /nfs/dbraw/zinc/26/05/03/210260503.db2.gz HHUZGDMRRLQZIQ-PXWUZWBYSA-N 0 0 334.500 3.566 10 0 in-vitro EHAERN C[C@H](NC(=O)Cc1cn2ccccc2n1)c1ccc(F)c(Cl)c1 ZINC000097680465 219047622 /nfs/dbraw/zinc/04/76/22/219047622.db2.gz BIEMCRBXMQIJTL-NSHDSACASA-N 0 0 331.778 3.547 10 0 EHAERN COc1c(F)ccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c1F ZINC000055089982 214271941 /nfs/dbraw/zinc/27/19/41/214271941.db2.gz XOXYWZBAAYCPDB-INIZCTEOSA-N 0 0 348.393 3.550 10 0 EHAERN CCCC1N=NC(=S)N1[C@@H](C)c1ccc(Br)cc1 ZINC000049526392 214013579 /nfs/dbraw/zinc/01/35/79/214013579.db2.gz ISRKSUHTRSDTAB-VIFPVBQESA-N 0 0 326.263 3.891 10 0 EHAERN CC(C)(C)c1ccc(-n2nccc2I)cc1 ZINC000098178735 219086833 /nfs/dbraw/zinc/08/68/33/219086833.db2.gz AULKCRCMAGSOFQ-UHFFFAOYSA-N 0 0 326.181 3.774 10 0 EHAERN O=c1c2sccc2[n-]c(=S)n1Cc1ccc(C(F)(F)F)cc1 ZINC000100090761 219091120 /nfs/dbraw/zinc/09/11/20/219091120.db2.gz IEZFOHMTUVMYHG-UHFFFAOYSA-N 0 0 342.367 3.814 10 0 EHAERN O=C1C(=Cc2ccc(Br)o2)NC(=S)N1c1ccccc1 ZINC000100469743 219099966 /nfs/dbraw/zinc/09/99/66/219099966.db2.gz KMSLULBMMJCVRR-FLIBITNWSA-N 0 0 349.209 3.716 10 0 EHAERN Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000049453252 214008028 /nfs/dbraw/zinc/00/80/28/214008028.db2.gz OXJOLRBHIZMXDG-ZDUSSCGKSA-N 0 0 334.803 3.600 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@H](C)CC2)c2nc3n(c2n1)CCCCC3 ZINC000065612523 214981533 /nfs/dbraw/zinc/98/15/33/214981533.db2.gz CIKFNDDPOXGIPE-AWEZNQCLSA-N 0 0 340.471 3.728 10 0 EHAERN O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccncc1 ZINC000004103657 210120488 /nfs/dbraw/zinc/12/04/88/210120488.db2.gz UURZEXYPSLUYHK-UHFFFAOYSA-N 0 0 349.781 3.721 10 0 EHAERN Cc1ccccc1NC(=O)CN1c2ccccc2N=C2CCC[C@H]2C1=O ZINC000101947389 219174633 /nfs/dbraw/zinc/17/46/33/219174633.db2.gz SSYZRSODVOKUDF-OAHLLOKOSA-N 0 0 347.418 3.853 10 0 EHAERN CC(=O)Nc1ccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc1 ZINC000003627480 210068819 /nfs/dbraw/zinc/06/88/19/210068819.db2.gz PCBIIPKJZPCGTI-HYZSBJHASA-N 0 0 332.359 3.546 10 0 EHAERN Fc1cccc(-c2noc3c2CN(Cc2cncn2C2CC2)CC3)c1 ZINC000067643386 215172590 /nfs/dbraw/zinc/17/25/90/215172590.db2.gz OKWJRLUJTAHULU-UHFFFAOYSA-N 0 0 338.386 3.570 10 0 EHAERN CCCc1nnc(Cl)n1-c1c(F)cc(F)cc1Br ZINC000103919700 219329173 /nfs/dbraw/zinc/32/91/73/219329173.db2.gz PUUIFINVJRTQGR-UHFFFAOYSA-N 0 0 336.567 3.914 10 0 EHAERN CCOc1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1OC ZINC000040999920 213407509 /nfs/dbraw/zinc/40/75/09/213407509.db2.gz WUEBUMVYZKYZGC-UHFFFAOYSA-N 0 0 329.396 3.674 10 0 EHAERN Ic1cccc(OCCc2cccs2)c1 ZINC000104268287 219367756 /nfs/dbraw/zinc/36/77/56/219367756.db2.gz SRPPJRQAYGLOCK-UHFFFAOYSA-N 0 0 330.190 3.974 10 0 EHAERN COCCc1ccc([C@H](O)c2sccc2Br)cc1 ZINC000104285774 219370587 /nfs/dbraw/zinc/37/05/87/219370587.db2.gz HBLSCLSJWIJCNC-ZDUSSCGKSA-N 0 0 327.243 3.781 10 0 EHAERN CC(C)[NH2+]Cc1ccc(Br)cc1Sc1nccn1C ZINC000104299534 219372158 /nfs/dbraw/zinc/37/21/58/219372158.db2.gz VPQXLRPUYWYLGU-UHFFFAOYSA-N 0 0 340.290 3.832 10 0 EHAERN Nc1cccc(Cl)c1C(=O)NCc1ccccc1Br ZINC000104328429 219373830 /nfs/dbraw/zinc/37/38/30/219373830.db2.gz KPKVSFPFKCCFHF-UHFFFAOYSA-N 0 0 339.620 3.615 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)cc1 ZINC000040762040 213385139 /nfs/dbraw/zinc/38/51/39/213385139.db2.gz IOEJOUFUBIZPNW-UHFFFAOYSA-N 0 0 349.394 3.626 10 0 EHAERN COc1ccc(Nc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040782640 213387200 /nfs/dbraw/zinc/38/72/00/213387200.db2.gz GDDFMMJXQBQUSD-UHFFFAOYSA-N 0 0 342.790 3.603 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)c1 ZINC000040684881 213368855 /nfs/dbraw/zinc/36/88/55/213368855.db2.gz ITJDYPHZSFZFRD-UHFFFAOYSA-N 0 0 335.367 3.583 10 0 EHAERN CC(C)(C)Nc1ncnc(Sc2cccc3cccnc32)c1N ZINC000040680773 213367575 /nfs/dbraw/zinc/36/75/75/213367575.db2.gz VYMHLRXGQQCOER-UHFFFAOYSA-N 0 0 325.441 3.969 10 0 EHAERN CN(Cc1ccccc1)c1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040662622 213366240 /nfs/dbraw/zinc/36/62/40/213366240.db2.gz ZBUVOOYJLJGGDP-UHFFFAOYSA-N 0 0 341.365 3.717 10 0 EHAERN COc1ccc(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)cc1 ZINC000040359321 213293292 /nfs/dbraw/zinc/29/32/92/213293292.db2.gz QBTKLOPSIVMKTP-UHFFFAOYSA-N 0 0 342.782 3.751 10 0 EHAERN Cc1cc(=O)c2cc(NC(=O)c3ccc(COC(C)C)o3)ccc2[nH]1 ZINC000040345909 213292030 /nfs/dbraw/zinc/29/20/30/213292030.db2.gz RAHZCXOMVBTZTG-UHFFFAOYSA-N 0 0 340.379 3.607 10 0 EHAERN CCCCCn1c(CCCCCNC(=O)COC)nc2ccccc21 ZINC000040211400 213281390 /nfs/dbraw/zinc/28/13/90/213281390.db2.gz OPQSSTLEHFWXEP-UHFFFAOYSA-N 0 0 345.487 3.702 10 0 EHAERN O=Cc1c(Br)cc(Br)cc1Br ZINC000038388034 213209403 /nfs/dbraw/zinc/20/94/03/213209403.db2.gz TXDCDOVILUDCMT-UHFFFAOYSA-N 0 0 342.812 3.787 10 0 EHAERN Nc1ccc(-c2nccn2Cc2ccccc2Br)cc1 ZINC000037974162 213178242 /nfs/dbraw/zinc/17/82/42/213178242.db2.gz NQELNIAHDUTCRQ-UHFFFAOYSA-N 0 0 328.213 3.943 10 0 EHAERN O=C([O-])[C@@H]([NH2+]C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000037971738 213177451 /nfs/dbraw/zinc/17/74/51/213177451.db2.gz MWCUQJMMWGJONM-ZDUSSCGKSA-N 0 0 330.197 3.636 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCCC1)c1cccc(Br)c1 ZINC000037972220 213177604 /nfs/dbraw/zinc/17/76/04/213177604.db2.gz QIDUULXFYMCYJH-HNNXBMFYSA-N 0 0 340.261 3.976 10 0 EHAERN CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)c1ccco1 ZINC000037506980 213151086 /nfs/dbraw/zinc/15/10/86/213151086.db2.gz GPDKISYCXGRYQS-JTQLQIEISA-N 0 0 325.206 3.916 10 0 EHAERN O=C1CCN(c2cc(-c3cccnc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000070452101 215693136 /nfs/dbraw/zinc/69/31/36/215693136.db2.gz WDVHXOXSSGXIME-UHFFFAOYSA-N 0 0 348.381 3.514 10 0 EHAERN CCCNC(=O)N(CCC)Cc1cc(-c2ccc(OC)cc2)on1 ZINC000036004745 213055593 /nfs/dbraw/zinc/05/55/93/213055593.db2.gz XSGWXSBPPAZJSX-UHFFFAOYSA-N 0 0 331.416 3.682 10 0 EHAERN COc1ccc(Cl)cc1C(=O)Nc1cccc(Br)n1 ZINC000035678616 213044877 /nfs/dbraw/zinc/04/48/77/213044877.db2.gz NVNWYSXIEWDGMD-UHFFFAOYSA-N 0 0 341.592 3.758 10 0 EHAERN O=C(c1cccs1)c1cc2c(cc1Br)OCCCO2 ZINC000035369586 213023581 /nfs/dbraw/zinc/02/35/81/213023581.db2.gz MAJIOMJIJQUJDT-UHFFFAOYSA-N 0 0 339.210 3.903 10 0 EHAERN CC(C)[C@@]1(C)CC(=O)N(c2ccc(F)cc2Br)C1=O ZINC000035282638 213016329 /nfs/dbraw/zinc/01/63/29/213016329.db2.gz CMWCVTLYTHHMLV-CQSZACIVSA-N 0 0 328.181 3.514 10 0 EHAERN COC(=O)c1ccc(F)c(NCc2ccc(Br)o2)c1 ZINC000036958974 213127855 /nfs/dbraw/zinc/12/78/55/213127855.db2.gz OCJHISXAFPOBRI-UHFFFAOYSA-N 0 0 328.137 3.580 10 0 EHAERN COc1ccc(Cc2nc3ccccc3c(NC[C@@H]3CCCO3)n2)cc1 ZINC000000269135 209511620 /nfs/dbraw/zinc/51/16/20/209511620.db2.gz ZRUURUJQUXYWAW-KRWDZBQOSA-N 0 0 349.434 3.820 10 0 EHAERN O[C@H](CNc1cc(Br)ccc1F)c1cccc(F)c1 ZINC000037891779 213172762 /nfs/dbraw/zinc/17/27/62/213172762.db2.gz MKKDTMBNELSLIY-CQSZACIVSA-N 0 0 328.156 3.873 10 0 EHAERN CCc1ccc(Nc2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)cc1 ZINC000072440988 216235389 /nfs/dbraw/zinc/23/53/89/216235389.db2.gz AFVRASHVBBBXAW-UHFFFAOYSA-N 0 0 343.390 3.686 10 0 EHAERN O=C(NC1CC1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072451197 216240082 /nfs/dbraw/zinc/24/00/82/216240082.db2.gz CKUPBXYACPZAKQ-UHFFFAOYSA-N 0 0 330.387 3.601 10 0 EHAERN COc1ccccc1CC(=O)N[C@@H](C)c1ccccc1Br ZINC000023525790 212381695 /nfs/dbraw/zinc/38/16/95/212381695.db2.gz AYLYXMSRQFHKJD-LBPRGKRZSA-N 0 0 348.240 3.878 10 0 EHAERN Nc1ccc(NC(=O)c2ccc(Br)o2)cc1C(F)(F)F ZINC000022212774 212283134 /nfs/dbraw/zinc/28/31/34/212283134.db2.gz UPPJWTKGBCOBRJ-UHFFFAOYSA-N 0 0 349.106 3.895 10 0 EHAERN Cc1ccccc1-c1noc(-c2cccnc2NC[C@@H]2CCCO2)n1 ZINC000021787730 212250748 /nfs/dbraw/zinc/25/07/48/212250748.db2.gz BGZFHKXIIQOOGQ-AWEZNQCLSA-N 0 0 336.395 3.698 10 0 EHAERN Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCO2)c1C ZINC000021143696 212210754 /nfs/dbraw/zinc/21/07/54/212210754.db2.gz UXZBLJNJRMCJRX-GOSISDBHSA-N 0 0 338.407 3.673 10 0 EHAERN O=C(c1cc2ccccc2[nH]1)N1CCC(c2ccccc2CO)CC1 ZINC000240244212 242968387 /nfs/dbraw/zinc/96/83/87/242968387.db2.gz DKYRSVYUXMNSLR-UHFFFAOYSA-N 0 0 334.419 3.680 10 0 EHAERN Cc1ccc(NCc2ccc(C(N)=O)cc2F)c(Br)c1 ZINC000020039937 212096164 /nfs/dbraw/zinc/09/61/64/212096164.db2.gz LQIBJNGBRAZEGW-UHFFFAOYSA-N 0 0 337.192 3.608 10 0 EHAERN C[C@H](Nc1ccccc1Br)c1cccc(-n2cnnn2)c1 ZINC000019922792 212084938 /nfs/dbraw/zinc/08/49/38/212084938.db2.gz NUYJKYOBPKTJRC-NSHDSACASA-N 0 0 344.216 3.598 10 0 EHAERN Cc1c(CN(Cc2ccccn2)Cc2ccccc2Cl)cnn1C ZINC000013990823 211663258 /nfs/dbraw/zinc/66/32/58/211663258.db2.gz BNAMLXGMYYPYTG-UHFFFAOYSA-N 0 0 340.858 3.979 10 0 EHAERN COC(=O)c1sc2ncnc(Nc3ccc(N(C)C)cc3)c2c1C ZINC000012084649 211288731 /nfs/dbraw/zinc/28/87/31/211288731.db2.gz PCNMDWNJIMPVNF-UHFFFAOYSA-N 0 0 342.424 3.596 10 0 EHAERN CSc1nc(C)cc(Oc2ccc(Br)cc2C=O)n1 ZINC000011849582 211258075 /nfs/dbraw/zinc/25/80/75/211258075.db2.gz YKZRMORPGRBALI-UHFFFAOYSA-N 0 0 339.214 3.874 10 0 EHAERN COc1ccc(-c2cc(-c3ccco3)nc3ncnc(N)c32)c(OC)c1 ZINC000009694585 211115828 /nfs/dbraw/zinc/11/58/28/211115828.db2.gz IWMMLAWTYABEJQ-UHFFFAOYSA-N 0 0 348.362 3.551 10 0 EHAERN CN(c1nc2ccccc2o1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074090 218271568 /nfs/dbraw/zinc/27/15/68/218271568.db2.gz XCJABIIFRLSVAH-CYBMUJFWSA-N 0 0 331.416 3.664 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCOc2ccc(Cl)nn2)CC1 ZINC000095083748 218275547 /nfs/dbraw/zinc/27/55/47/218275547.db2.gz CFASNESPWQHPNN-UHFFFAOYSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCOc2ccnc(Cl)n2)CC1 ZINC000095083750 218276022 /nfs/dbraw/zinc/27/60/22/218276022.db2.gz KINUYZGNSYMMAO-UHFFFAOYSA-N 0 0 341.839 3.546 10 0 EHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1ccccc1Br ZINC000007377387 210790117 /nfs/dbraw/zinc/79/01/17/210790117.db2.gz MZHWQEDAZBLLPO-LOWVWBTDSA-N 0 0 346.290 3.552 10 0 EHAERN COc1cc(NC(=O)n2ncc3cc(Cl)ccc32)cc(OC)c1 ZINC000006791481 210713885 /nfs/dbraw/zinc/71/38/85/210713885.db2.gz LYCYMWLBJHPNLO-UHFFFAOYSA-N 0 0 331.759 3.787 10 0 EHAERN Cc1ccc(C)c(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C)C2)c1 ZINC000096125164 218616466 /nfs/dbraw/zinc/61/64/66/218616466.db2.gz JMOWZBYWODIZBS-OAHLLOKOSA-N 0 0 349.438 3.607 10 0 EHAERN CC[C@H](C)[C@@H]1COC(c2cccn2Cc2cccc(OC)c2OC)=N1 ZINC000004970706 210343181 /nfs/dbraw/zinc/34/31/81/210343181.db2.gz LDAQNSQAVJJAGW-HOCLYGCPSA-N 0 0 342.439 3.745 10 0 EHAERN CC(C)(c1ccccc1)c1ccc(OCC2N=NC(=S)N2)cc1 ZINC000026473753 519382378 /nfs/dbraw/zinc/38/23/78/519382378.db2.gz PQZUVBXVKLVHHE-UHFFFAOYSA-N 0 0 325.437 3.998 10 0 EHAERN CCCOc1ccc([C@@H](C)NCc2noc(C)n2)cc1OCCC ZINC000119929674 520415108 /nfs/dbraw/zinc/41/51/08/520415108.db2.gz IZGWRDOPZDVWEZ-CYBMUJFWSA-N 0 0 333.432 3.806 10 0 EHAERN CC(C)CC(=O)N[C@H](C(=O)Nc1nc(C(C)(C)C)cs1)C(C)C ZINC000130014650 527668260 /nfs/dbraw/zinc/66/82/60/527668260.db2.gz NHDYSAYDCJSFHK-AWEZNQCLSA-N 0 0 339.505 3.566 10 0 EHAERN COc1ccc(/C=C2\S[C@H]3Nc4ccccc4N3C2=O)c(OC)c1 ZINC000048513032 563930602 /nfs/dbraw/zinc/93/06/02/563930602.db2.gz VMKFBXBAIXRWCN-VUZIPCMWSA-N 0 0 340.404 3.534 10 0 EHAERN CC1(C)Oc2cc3oc(-c4cc(O)cc(O)c4)cc3cc2C[C@H]1O ZINC000014610083 563986130 /nfs/dbraw/zinc/98/61/30/563986130.db2.gz QFUCSEIKNTUPPA-GOSISDBHSA-N 0 0 326.348 3.585 10 0 endogenous,in-man EHAERN CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000309659467 564017550 /nfs/dbraw/zinc/01/75/50/564017550.db2.gz XJGSUYXCIUZAHH-UHFFFAOYSA-N 0 0 338.860 3.523 10 0 EHAERN CC(C)NS(=O)(=O)c1occc1-c1cc(Cl)ccc1Cl ZINC000675053278 564079233 /nfs/dbraw/zinc/07/92/33/564079233.db2.gz FUKVMGICTKABBT-UHFFFAOYSA-N 0 0 334.224 3.940 10 0 EHAERN CC[C@]12C=C(C(=O)OC)n3c4ccccc4c4c3[C@H]1N(CCC2)CC4 ZINC000030726751 564087398 /nfs/dbraw/zinc/08/73/98/564087398.db2.gz OZDNDGXASTWERN-CTNGQTDRSA-N 0 0 336.435 3.758 10 0 in-man EHAERN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)c3cc(F)ccc3O2)C1 ZINC000536953489 564091751 /nfs/dbraw/zinc/09/17/51/564091751.db2.gz IEFJMUZAUFAWRE-GOSISDBHSA-N 0 0 335.375 3.561 10 0 EHAERN O=C(NCc1cccs1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818539 564096541 /nfs/dbraw/zinc/09/65/41/564096541.db2.gz KGHDUJTVELYDOP-UHFFFAOYSA-N 0 0 326.425 3.538 10 0 EHAERN CCn1c2ccccc2c2nnc(NCc3cccc(OC)c3)nc21 ZINC000006781684 564097607 /nfs/dbraw/zinc/09/76/07/564097607.db2.gz FXGHXBKSFOUKOK-UHFFFAOYSA-N 0 0 333.395 3.620 10 0 EHAERN CCCCC(=O)Nc1nnc(SCc2cccc(OC)c2)s1 ZINC000006837688 564099295 /nfs/dbraw/zinc/09/92/95/564099295.db2.gz HQHAFPZGPOHSGY-UHFFFAOYSA-N 0 0 337.470 3.968 10 0 EHAERN O=C(CN1Cc2ccccc2C1=O)Nc1cc(Cl)ccc1Cl ZINC000006875801 564100282 /nfs/dbraw/zinc/10/02/82/564100282.db2.gz GAHXMLVMGKQHGK-UHFFFAOYSA-N 0 0 335.190 3.588 10 0 EHAERN Cc1ccc(NC(=O)c2cccn2Cc2noc(C3CC3)n2)c(C)c1 ZINC000065137012 564101497 /nfs/dbraw/zinc/10/14/97/564101497.db2.gz GFGMOFDDZXDKSA-UHFFFAOYSA-N 0 0 336.395 3.666 10 0 EHAERN Fc1ccc(-c2c(I)[nH]nc2C(F)F)cc1 ZINC000675077109 564113438 /nfs/dbraw/zinc/11/34/38/564113438.db2.gz XVECUOOTQUIFNU-UHFFFAOYSA-N 0 0 338.070 3.758 10 0 EHAERN C=CCc1ccccc1OCC(=O)N/N=C/C(C)=C\c1ccccc1 ZINC000048572765 564129433 /nfs/dbraw/zinc/12/94/33/564129433.db2.gz IYBNNVLTPXAWKX-WKSPYJHRSA-N 0 0 334.419 3.999 10 0 EHAERN CCc1onc(C)c1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21 ZINC000328623122 564136991 /nfs/dbraw/zinc/13/69/91/564136991.db2.gz IWTNYWOJAZCVTI-GFCCVEGCSA-N 0 0 333.457 3.502 10 0 EHAERN CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 ZINC000328623123 564137001 /nfs/dbraw/zinc/13/70/01/564137001.db2.gz IWTNYWOJAZCVTI-LBPRGKRZSA-N 0 0 333.457 3.502 10 0 EHAERN Cc1cccc(OC(=O)NCCOC(=O)Nc2cccc(Cl)c2)c1 ZINC000003145170 564155453 /nfs/dbraw/zinc/15/54/53/564155453.db2.gz ZPRNMEPGQOUMSG-UHFFFAOYSA-N 0 0 348.786 3.986 10 0 EHAERN CC(C)=C[C@@H]1[C@@H](C(=O)OCC(=O)c2ccc3c(c2)CCO3)C1(C)C ZINC000071796013 564175365 /nfs/dbraw/zinc/17/53/65/564175365.db2.gz RLCPWWCSGXBYPJ-QAPCUYQASA-N 0 0 328.408 3.586 10 0 EHAERN CO[C@@H](C)c1nc(CN2CCC(Oc3ccc(C)cn3)CC2)cs1 ZINC000182852088 1032145230 /nfs/dbraw/zinc/14/52/30/1032145230.db2.gz NXNHGNFHCNJZOH-AWEZNQCLSA-N 0 0 347.484 3.597 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)NCCC3=CCCCC3)CC2)nc1 ZINC000080541974 1032149339 /nfs/dbraw/zinc/14/93/39/1032149339.db2.gz KYZKDZQCKPINMQ-UHFFFAOYSA-N 0 0 342.487 3.549 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2cccc(F)c2F)c2ccccc2)[nH]1 ZINC000183255099 1032186075 /nfs/dbraw/zinc/18/60/75/1032186075.db2.gz DUZDZWBRBBNQON-GTNSWQLSSA-N 0 0 328.366 3.832 10 0 EHAERN OC[C@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000183661801 1032216512 /nfs/dbraw/zinc/21/65/12/1032216512.db2.gz AICJUODVGKSJRE-INIZCTEOSA-N 0 0 328.799 3.818 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000184226217 1032274703 /nfs/dbraw/zinc/27/47/03/1032274703.db2.gz ZIGCWTFXTKDCDU-HOCLYGCPSA-N 0 0 325.412 3.809 10 0 EHAERN C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccncc1 ZINC000184373878 1032288292 /nfs/dbraw/zinc/28/82/92/1032288292.db2.gz UOQQUKWUFQDMSQ-DYVFJYSZSA-N 0 0 345.830 3.579 10 0 EHAERN CSc1cccc(C)c1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184985912 1032351809 /nfs/dbraw/zinc/35/18/09/1032351809.db2.gz VJQOZOHINCRAJK-GFCCVEGCSA-N 0 0 331.445 3.594 10 0 EHAERN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000332932547 1017273895 /nfs/dbraw/zinc/27/38/95/1017273895.db2.gz ZFMGDWCBIUEKML-MUQADHOPSA-N 0 0 347.503 3.559 10 0 EHAERN CCC[C@H](C)CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185520701 1032438046 /nfs/dbraw/zinc/43/80/46/1032438046.db2.gz XGUNVPWYMIHCQZ-SCLBCKFNSA-N 0 0 334.435 3.562 10 0 EHAERN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)[C@@H]1CCCn2ccnc21 ZINC000081119829 1032494366 /nfs/dbraw/zinc/49/43/66/1032494366.db2.gz FKFUNKQJSLDMBD-CVEARBPZSA-N 0 0 329.831 3.681 10 0 EHAERN COc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1O ZINC000119189981 1032678119 /nfs/dbraw/zinc/67/81/19/1032678119.db2.gz SQAWXTVGHOMCMB-CSKARUKUSA-N 0 0 335.403 3.730 10 0 EHAERN CO[C@H]1CCCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000178233006 1018539127 /nfs/dbraw/zinc/53/91/27/1018539127.db2.gz WTGYBBNAXYOKNQ-DOTOQJQBSA-N 0 0 344.455 3.643 10 0 EHAERN Cc1nnc(-c2ccc(C(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc2)o1 ZINC000333475632 1019692332 /nfs/dbraw/zinc/69/23/32/1019692332.db2.gz GNYNUSHTVOUSLW-YLAKUSLOSA-N 0 0 337.423 3.553 10 0 EHAERN C[C@@]12CN(C(=O)CCc3nnc(C4CCCC4)o3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333525455 1019861333 /nfs/dbraw/zinc/86/13/33/1019861333.db2.gz OVOGSDCXNAKTTK-OLPIVMHESA-N 0 0 343.471 3.554 10 0 EHAERN C[C@@H]1CCCN(C(=O)Nc2cccc(N3CCCCCC3)c2)[C@H]1CO ZINC000089871556 1020316947 /nfs/dbraw/zinc/31/69/47/1020316947.db2.gz UUPCDGXUCVAIJN-APWZRJJASA-N 0 0 345.487 3.692 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000588424193 1021451950 /nfs/dbraw/zinc/45/19/50/1021451950.db2.gz CMPQQOAUIJUXEE-RAXLEYEMSA-N 0 0 336.370 3.663 10 0 EHAERN Cn1cnc(-c2cccc(NC(=O)/C=C\c3ccccc3Cl)c2)n1 ZINC000588424135 1021462203 /nfs/dbraw/zinc/46/22/03/1021462203.db2.gz BNYCHFIFRARMKG-KTKRTIGZSA-N 0 0 338.798 3.787 10 0 EHAERN O=C(c1csc(C2CCCCC2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000334059913 1021937316 /nfs/dbraw/zinc/93/73/16/1021937316.db2.gz YCFUNPZSYMACFM-BEFAXECRSA-N 0 0 348.512 3.958 10 0 EHAERN Cc1ccc(/C=C\CC(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc1 ZINC000588434312 1022150688 /nfs/dbraw/zinc/15/06/88/1022150688.db2.gz CPFBHFSBSFQPPN-MDAAKZFYSA-N 0 0 344.455 3.595 10 0 EHAERN C[C@@H](CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000588434407 1022155569 /nfs/dbraw/zinc/15/55/69/1022155569.db2.gz IZELFIKPHAMGKH-CDNLZTBQSA-N 0 0 338.492 3.790 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cc4c(cc3Cl)OCO4)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333850090 1022296469 /nfs/dbraw/zinc/29/64/69/1022296469.db2.gz PGMANZJEGFJKDA-FLMCSSBNSA-N 0 0 348.830 3.969 10 0 EHAERN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127932522 1022404705 /nfs/dbraw/zinc/40/47/05/1022404705.db2.gz BJBUJCBRFVBWRR-WBMJQRKESA-N 0 0 345.336 3.612 10 0 EHAERN CC(C)Cc1ccc([C@@H](NC(=O)/C=C\c2ccncn2)C2CC2)cc1 ZINC000588437981 1022437420 /nfs/dbraw/zinc/43/74/20/1022437420.db2.gz ILUQIBBUXCQLRN-VFCOFNOGSA-N 0 0 335.451 3.956 10 0 EHAERN Cc1cccc(CNC(=O)NCc2cccc(COC(C)(C)C)c2)n1 ZINC000101938183 1022786632 /nfs/dbraw/zinc/78/66/32/1022786632.db2.gz PJCFMVKULNGBAH-UHFFFAOYSA-N 0 0 341.455 3.705 10 0 EHAERN COc1ccc2cc(CNC(=O)/C=C\c3ncccc3C)ccc2c1 ZINC000588451963 1023021525 /nfs/dbraw/zinc/02/15/25/1023021525.db2.gz AZVOQWIRSMLPFI-KTKRTIGZSA-N 0 0 332.403 3.881 10 0 EHAERN COc1ccc2ccccc2c1CNC(=O)/C=C\c1ncccc1C ZINC000588452269 1023022033 /nfs/dbraw/zinc/02/20/33/1023022033.db2.gz LHGMTGQFEPBRKG-BENRWUELSA-N 0 0 332.403 3.881 10 0 EHAERN CC(C)(C)C(=O)N1CCCN(c2cc3ccccc3c(Cl)n2)CC1 ZINC000080978751 1023288181 /nfs/dbraw/zinc/28/81/81/1023288181.db2.gz MUVUZQAMTAKEEB-UHFFFAOYSA-N 0 0 345.874 3.973 10 0 EHAERN C[C@@](O)(CNC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1Cl ZINC000588470320 1023644178 /nfs/dbraw/zinc/64/41/78/1023644178.db2.gz WERUITPTPOFNCT-PHWHVTFISA-N 0 0 347.817 3.906 10 0 EHAERN O=C(C/C=C\c1cccc(F)c1)Nc1cccc2c1OCC[C@H]2O ZINC000588479264 1023882024 /nfs/dbraw/zinc/88/20/24/1023882024.db2.gz FUHJVDSQADAGIK-OMUXJLDVSA-N 0 0 327.355 3.684 10 0 EHAERN O=C(C[C@H]1C(=O)Nc2ccccc21)NC1(c2ccccc2)CCCC1 ZINC000113840576 1024004730 /nfs/dbraw/zinc/00/47/30/1024004730.db2.gz ZIYAUJYHZOMICG-QGZVFWFLSA-N 0 0 334.419 3.698 10 0 EHAERN CC[C@](C)(NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1nc(C)cs1 ZINC000151076686 1024031007 /nfs/dbraw/zinc/03/10/07/1024031007.db2.gz UOQAIGPOCXHMIC-DWQUBVKVSA-N 0 0 330.453 3.758 10 0 EHAERN Cc1nc(CCNC(=O)N2CC=C(c3cccs3)CC2)sc1C ZINC000151171951 1024068999 /nfs/dbraw/zinc/06/89/99/1024068999.db2.gz GVRQCUFDXPAELN-UHFFFAOYSA-N 0 0 347.509 3.863 10 0 EHAERN CN(C)c1ccccc1NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000191351412 1024077131 /nfs/dbraw/zinc/07/71/31/1024077131.db2.gz WVNOHOYDRNOWHO-HNNXBMFYSA-N 0 0 325.412 3.657 10 0 EHAERN CC(C)(C)n1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)cn1 ZINC000093279224 1024093690 /nfs/dbraw/zinc/09/36/90/1024093690.db2.gz GTQIMPHNNAMPLU-LBPRGKRZSA-N 0 0 333.461 3.506 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC(OCC3CCCC3)CC2)cn1 ZINC000151491560 1024116560 /nfs/dbraw/zinc/11/65/60/1024116560.db2.gz PVHGAQLNAVSIJD-UHFFFAOYSA-N 0 0 347.459 3.683 10 0 EHAERN CCC1CCC(c2noc([C@H]3CC(=O)N(CC(F)(F)F)C3)n2)CC1 ZINC000329733911 1024166792 /nfs/dbraw/zinc/16/67/92/1024166792.db2.gz RBAOJMGFCMMNBB-MCIGGMRASA-N 0 0 345.365 3.632 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)[C@@H](C)CO1 ZINC000183316515 1024215691 /nfs/dbraw/zinc/21/56/91/1024215691.db2.gz KVAVMUZHECQWHJ-ZMSDIMECSA-N 0 0 344.455 3.642 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C[C@@H](C)c3ccccc3F)CCO2)o1 ZINC000151675023 1024377087 /nfs/dbraw/zinc/37/70/87/1024377087.db2.gz DVKQJQSMPGFSOZ-FZKQIMNGSA-N 0 0 331.387 3.821 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000104970500 1024864344 /nfs/dbraw/zinc/86/43/44/1024864344.db2.gz JCWDYFSFCVSTKG-UHFFFAOYSA-N 0 0 326.444 3.634 10 0 EHAERN CC(C)COC1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000105044392 1024880134 /nfs/dbraw/zinc/88/01/34/1024880134.db2.gz UFBRSZRIROQCJY-UHFFFAOYSA-N 0 0 330.350 3.773 10 0 EHAERN CCO[C@@H]1C[C@H](OC(=O)/C=C(/C)c2ccccc2)C12CCOCC2 ZINC000588492647 1024912233 /nfs/dbraw/zinc/91/22/33/1024912233.db2.gz LDYHPILUUMJWDU-XRSVIKRQSA-N 0 0 330.424 3.607 10 0 EHAERN CC(C)OCCOCc1cccc(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 ZINC000121587344 1025518958 /nfs/dbraw/zinc/51/89/58/1025518958.db2.gz AUNBASAKWDVPNZ-MSOLQXFVSA-N 0 0 343.423 3.963 10 0 EHAERN O=C(Cc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102914990 1025557317 /nfs/dbraw/zinc/55/73/17/1025557317.db2.gz KGZFLWCPVIZWMQ-MRXNPFEDSA-N 0 0 343.810 3.975 10 0 EHAERN O=C1NC2(CCCC2)C(=O)N1[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329369314 1025787882 /nfs/dbraw/zinc/78/78/82/1025787882.db2.gz LMPUUNXBQFTPTQ-HNNXBMFYSA-N 0 0 340.423 3.892 10 0 EHAERN Cc1noc(C)c1CCN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000329376678 1025792059 /nfs/dbraw/zinc/79/20/59/1025792059.db2.gz OICDYGPNJSQNFW-INIZCTEOSA-N 0 0 330.432 3.712 10 0 EHAERN O=C(C[C@@H]1CSCCS1)N1CC=C(c2cccs2)CC1 ZINC000152574608 1026350940 /nfs/dbraw/zinc/35/09/40/1026350940.db2.gz MADSFQKAUPBKMP-CYBMUJFWSA-N 0 0 325.524 3.603 10 0 EHAERN CCC(O)(CC)CNC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000104994680 1026471009 /nfs/dbraw/zinc/47/10/09/1026471009.db2.gz PHBWFDNRPUENIT-UHFFFAOYSA-N 0 0 328.840 3.800 10 0 EHAERN C/C(=C/C(=O)N1CCC(=O)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000588532401 1026711477 /nfs/dbraw/zinc/71/14/77/1026711477.db2.gz OEXLTAKPORRFPB-NXIHDVOMSA-N 0 0 325.330 3.546 10 0 EHAERN C/C(=C/C(=O)N1CCC(=O)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000588532442 1026714304 /nfs/dbraw/zinc/71/43/04/1026714304.db2.gz IGYUFNLNWVOEJU-MMRAYRKESA-N 0 0 325.330 3.546 10 0 EHAERN Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000130448701 1027669982 /nfs/dbraw/zinc/66/99/82/1027669982.db2.gz SVYYZYMQKATJHN-GXTWGEPZSA-N 0 0 347.488 3.511 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3c(C)[nH]nc3C(C)C)CC2)n1 ZINC000131102602 1027739147 /nfs/dbraw/zinc/73/91/47/1027739147.db2.gz XQKWZZWPYDHOPR-UHFFFAOYSA-N 0 0 332.473 3.626 10 0 EHAERN COc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1F ZINC000131614335 1027801502 /nfs/dbraw/zinc/80/15/02/1027801502.db2.gz CUMDLDKGPHZRMA-UHFFFAOYSA-N 0 0 349.431 3.686 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1C(F)(F)F ZINC000246146794 1027817996 /nfs/dbraw/zinc/81/79/96/1027817996.db2.gz PXXBMBQUHCRATL-MRVWCRGKSA-N 0 0 343.320 3.532 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)sc1Cl ZINC000246151917 1027826271 /nfs/dbraw/zinc/82/62/71/1027826271.db2.gz QJDZTXGBDUBNMN-AVPPRXQKSA-N 0 0 332.252 3.742 10 0 EHAERN COc1ccc(C(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)cc1 ZINC000049703233 1027840060 /nfs/dbraw/zinc/84/00/60/1027840060.db2.gz OLWKKMIAECPEPE-IBGZPJMESA-N 0 0 337.419 3.502 10 0 EHAERN CCc1cccc(CC)c1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246157381 1027847216 /nfs/dbraw/zinc/84/72/16/1027847216.db2.gz QSRNDTLZYOEBFY-CGTJXYLNSA-N 0 0 328.456 3.891 10 0 EHAERN Cc1ccc2cccc(C(=O)Nc3cccc(-c4ncon4)c3)c2n1 ZINC000132475300 1027930538 /nfs/dbraw/zinc/93/05/38/1027930538.db2.gz YVIWSHSEHLGACB-UHFFFAOYSA-N 0 0 330.347 3.846 10 0 EHAERN Cc1cc(F)ccc1CCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000132660740 1027950358 /nfs/dbraw/zinc/95/03/58/1027950358.db2.gz GQGMGLNBAYXTNS-OAHLLOKOSA-N 0 0 347.459 3.722 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3c[nH]c4cccc(C)c34)CCO2)o1 ZINC000133509204 1028041717 /nfs/dbraw/zinc/04/17/17/1028041717.db2.gz RWFYNIAHOXTRKZ-SFHVURJKSA-N 0 0 338.407 3.520 10 0 EHAERN C[C@H]1CN(Cc2noc(-c3ccsc3)n2)C[C@@H](c2ccsc2)O1 ZINC000246316643 1028206936 /nfs/dbraw/zinc/20/69/36/1028206936.db2.gz CYOIEECZIHZOOC-FZMZJTMJSA-N 0 0 347.465 3.822 10 0 EHAERN C[C@@H]1CN(Cc2noc(-c3ccsc3)n2)C[C@@H](c2ccsc2)O1 ZINC000246316653 1028207130 /nfs/dbraw/zinc/20/71/30/1028207130.db2.gz CYOIEECZIHZOOC-RISCZKNCSA-N 0 0 347.465 3.822 10 0 EHAERN CCCOc1ccccc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000136950748 1028279488 /nfs/dbraw/zinc/27/94/88/1028279488.db2.gz YFAGAVOEWVHXOM-MRXNPFEDSA-N 0 0 341.411 3.556 10 0 EHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000137373286 1028308789 /nfs/dbraw/zinc/30/87/89/1028308789.db2.gz ICYAWWCMWXJKDM-MLGOLLRUSA-N 0 0 329.421 3.522 10 0 EHAERN Cc1noc(Cl)c1CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000137342675 1028309235 /nfs/dbraw/zinc/30/92/35/1028309235.db2.gz FRTULTNSGGINTK-UHFFFAOYSA-N 0 0 334.778 3.634 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 ZINC000062131306 1028441343 /nfs/dbraw/zinc/44/13/43/1028441343.db2.gz NITFKNIEGCGTDW-UHFFFAOYSA-N 0 0 337.423 3.799 10 0 EHAERN O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CCn2c3ccccc3nc21 ZINC000193804338 1028467074 /nfs/dbraw/zinc/46/70/74/1028467074.db2.gz DGZMZLROUJDVPT-LPHOPBHVSA-N 0 0 347.418 3.551 10 0 EHAERN Cc1c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1-c1ccccn1 ZINC000246405883 1028477272 /nfs/dbraw/zinc/47/72/72/1028477272.db2.gz HXRYQHGVVKBQGR-BHIYHBOVSA-N 0 0 336.435 3.600 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000246433589 1028502239 /nfs/dbraw/zinc/50/22/39/1028502239.db2.gz OBQRDGPMZJFNKU-WSTZPKSXSA-N 0 0 343.467 3.641 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@H](C)CC2CCCC2)c2ccccc2)[nH]1 ZINC000072574990 1028506035 /nfs/dbraw/zinc/50/60/35/1028506035.db2.gz WBQZQWSWYARAMC-CXAGYDPISA-N 0 0 326.444 3.535 10 0 EHAERN CC(=O)N(C)c1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000072590067 1028507197 /nfs/dbraw/zinc/50/71/97/1028507197.db2.gz CZNRQAQZWMGQSJ-UHFFFAOYSA-N 0 0 349.434 3.991 10 0 EHAERN O=C([C@@H]1CCCc2cccnc21)N1CC=C(c2ccccc2F)CC1 ZINC000194893666 1028557875 /nfs/dbraw/zinc/55/78/75/1028557875.db2.gz RLSXFCZPLHMHJF-GOSISDBHSA-N 0 0 336.410 3.957 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Oc2cccnc2)cc1 ZINC000246627191 1028670026 /nfs/dbraw/zinc/67/00/26/1028670026.db2.gz CBRFBKQGHKELNV-OTWHNJEPSA-N 0 0 338.407 3.561 10 0 EHAERN O=C(Nc1ccc(OCC2CC2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246904562 1028712964 /nfs/dbraw/zinc/71/29/64/1028712964.db2.gz FAURLCVMTHIKFL-RCCFBDPRSA-N 0 0 330.428 3.555 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@H]2CCO[C@H]21 ZINC000247036883 1028732436 /nfs/dbraw/zinc/73/24/36/1028732436.db2.gz NIMUXZIMFWIKEX-DAXOMENPSA-N 0 0 341.411 3.640 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@H](C)c3ccncc3)C2)cc1 ZINC000247446044 1028791373 /nfs/dbraw/zinc/79/13/73/1028791373.db2.gz YILBXHRQRXOHHR-IIDMSEBBSA-N 0 0 339.439 3.739 10 0 EHAERN CN1CC[C@@H](CNC(=O)N2CCC[C@H]2c2ccco2)c2ccccc21 ZINC000247540831 1028800527 /nfs/dbraw/zinc/80/05/27/1028800527.db2.gz QTBBLHZILMYKEG-YJBOKZPZSA-N 0 0 339.439 3.750 10 0 EHAERN Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000247676013 1028809826 /nfs/dbraw/zinc/80/98/26/1028809826.db2.gz ZCLIQJBMPPYJHI-OTWHNJEPSA-N 0 0 331.456 3.618 10 0 EHAERN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248327500 1028868622 /nfs/dbraw/zinc/86/86/22/1028868622.db2.gz CMYWPCGOPXHZRS-VQFNDLOPSA-N 0 0 336.439 3.656 10 0 EHAERN Cc1ccccc1[C@H]1CN(c2nnc(C(F)(F)F)s2)[C@@H](C)CO1 ZINC000248657289 1028935351 /nfs/dbraw/zinc/93/53/51/1028935351.db2.gz AFORTIPASANDJH-CMPLNLGQSA-N 0 0 343.374 3.832 10 0 EHAERN O[C@H](CN1CCSC[C@H]1c1nccs1)c1ccccc1Cl ZINC000248684189 1028937074 /nfs/dbraw/zinc/93/70/74/1028937074.db2.gz GRGFOQWCNCBKAX-UONOGXRCSA-N 0 0 340.901 3.620 10 0 EHAERN C[C@@H]1C[C@@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000249208423 1028996562 /nfs/dbraw/zinc/99/65/62/1028996562.db2.gz XEELJDFYYSZHMT-DUXKGJEZSA-N 0 0 346.478 3.752 10 0 EHAERN C[C@]1(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CC1(Cl)Cl ZINC000076513499 1029007458 /nfs/dbraw/zinc/00/74/58/1029007458.db2.gz SHDYDOHSOHGDIN-SWLSCSKDSA-N 0 0 330.230 3.801 10 0 EHAERN CC1(C)[C@H](NC(=O)C2(Cc3ccccc3Cl)CC2)[C@H]2CCO[C@H]21 ZINC000252061385 1029175257 /nfs/dbraw/zinc/17/52/57/1029175257.db2.gz ZYLFKCQHOJRPSU-FVQBIDKESA-N 0 0 333.859 3.592 10 0 EHAERN COc1ccc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000245729606 1029180365 /nfs/dbraw/zinc/18/03/65/1029180365.db2.gz JKNMIPKHNLMMSO-UGSOOPFHSA-N 0 0 333.453 3.727 10 0 EHAERN CCOc1ncccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078188411 1029240762 /nfs/dbraw/zinc/24/07/62/1029240762.db2.gz LBOYIJCYLNCBEP-HOCLYGCPSA-N 0 0 340.423 3.507 10 0 EHAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000078384196 1029283809 /nfs/dbraw/zinc/28/38/09/1029283809.db2.gz QDJLCFWNXCDPOR-BSDSXHPESA-N 0 0 348.512 3.880 10 0 EHAERN O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)c1ccc(O)cc1 ZINC000078797485 1029471336 /nfs/dbraw/zinc/47/13/36/1029471336.db2.gz GVGLBCVLWXRRDZ-UHFFFAOYSA-N 0 0 349.795 3.675 10 0 EHAERN CCCCC[C@@H](C)CC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000079385377 1029620142 /nfs/dbraw/zinc/62/01/42/1029620142.db2.gz HMJQYJGYGHRRNT-CQSZACIVSA-N 0 0 349.475 3.767 10 0 EHAERN C[C@@H](c1ccco1)N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155848605 1029682053 /nfs/dbraw/zinc/68/20/53/1029682053.db2.gz KPUJWCHZTWZBBG-ZDUSSCGKSA-N 0 0 333.457 3.713 10 0 EHAERN Cc1cc(C(=O)NC2CCN(c3cccs3)CC2)c(C)n1C1CC1 ZINC000156204859 1029774558 /nfs/dbraw/zinc/77/45/58/1029774558.db2.gz WHTGTBQJPVSELH-UHFFFAOYSA-N 0 0 343.496 3.900 10 0 EHAERN COCc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114808351 1029836269 /nfs/dbraw/zinc/83/62/69/1029836269.db2.gz YOVIQYHPMFTMTL-CQSZACIVSA-N 0 0 331.441 3.701 10 0 EHAERN Fc1ccc(F)c(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202189 1030090651 /nfs/dbraw/zinc/09/06/51/1030090651.db2.gz IGQGLISTLBFVNF-HNNXBMFYSA-N 0 0 335.741 3.880 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(OC)c3F)C2)cc1 ZINC000090420174 1030112807 /nfs/dbraw/zinc/11/28/07/1030112807.db2.gz ANAZKFQZZDBZCK-ZFWWWQNUSA-N 0 0 343.398 3.861 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000090474351 1030122615 /nfs/dbraw/zinc/12/26/15/1030122615.db2.gz NYGBUDMXEBFFHU-UHFFFAOYSA-N 0 0 330.407 3.583 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1cccs1 ZINC000246720911 1030669993 /nfs/dbraw/zinc/66/99/93/1030669993.db2.gz URORWSZTBDRTQH-JFWVXPNWSA-N 0 0 342.530 3.578 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)o1 ZINC000093864902 1030687031 /nfs/dbraw/zinc/68/70/31/1030687031.db2.gz ZGIMSWRMNWXGOS-GOSISDBHSA-N 0 0 341.386 3.691 10 0 EHAERN O=[S@](Cc1ncc(-c2ccccc2Cl)o1)Cc1nccs1 ZINC000160434844 1030742252 /nfs/dbraw/zinc/74/22/52/1030742252.db2.gz NWPBDRHSIZZQSC-NRFANRHFSA-N 0 0 338.841 3.900 10 0 EHAERN O=C(c1ccc2ccccc2n1)N1CCC(Cc2ccccn2)CC1 ZINC000171614441 1030768105 /nfs/dbraw/zinc/76/81/05/1030768105.db2.gz TUIBQHYIYQEPKF-UHFFFAOYSA-N 0 0 331.419 3.725 10 0 EHAERN Cc1ccc(OCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1C ZINC000171646516 1030771775 /nfs/dbraw/zinc/77/17/75/1030771775.db2.gz GRKFSFIOIHJUOQ-OAHLLOKOSA-N 0 0 330.453 3.545 10 0 EHAERN C[C@@H](c1ccccc1F)[S@@](=O)Cc1nc(-c2ccsc2)no1 ZINC000171497773 1030785468 /nfs/dbraw/zinc/78/54/68/1030785468.db2.gz IEJDGYTZTYOXSQ-MGUXCZDKSA-N 0 0 336.413 3.947 10 0 EHAERN O=C(CCCc1cccs1)N1CCC(Cc2ccccn2)CC1 ZINC000171612697 1030801011 /nfs/dbraw/zinc/80/10/11/1030801011.db2.gz BANUDKGTWVRLPN-UHFFFAOYSA-N 0 0 328.481 3.947 10 0 EHAERN COc1ccc(OC)c(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000172212204 1030870913 /nfs/dbraw/zinc/87/09/13/1030870913.db2.gz NBUVUJIUPVXREE-LBPRGKRZSA-N 0 0 347.440 3.572 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000172221050 1030872930 /nfs/dbraw/zinc/87/29/30/1030872930.db2.gz SOCMKLFHYBLRAD-HIFRSBDPSA-N 0 0 343.452 3.556 10 0 EHAERN CC[C@@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)c1cccs1 ZINC000157907661 1030946937 /nfs/dbraw/zinc/94/69/37/1030946937.db2.gz IDYYCPGAFJNRIM-KGLIPLIRSA-N 0 0 332.473 3.652 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ncccc3C)C2)cc1 ZINC000172637795 1030953677 /nfs/dbraw/zinc/95/36/77/1030953677.db2.gz KUKUVSIOLCNKLJ-ZBFHGGJFSA-N 0 0 325.412 3.809 10 0 EHAERN CCSc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172496990 1030966571 /nfs/dbraw/zinc/96/65/71/1030966571.db2.gz DWHMKEDQDADWQC-DLBZAZTESA-N 0 0 328.437 3.578 10 0 EHAERN CC1(C)CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000172799563 1031000367 /nfs/dbraw/zinc/00/03/67/1031000367.db2.gz GWZVKVHRKKGIOW-UHFFFAOYSA-N 0 0 348.512 3.639 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2cc(F)ccc2F)cc1 ZINC000172857202 1031015530 /nfs/dbraw/zinc/01/55/30/1031015530.db2.gz UXHJXHWCDWDFDD-GOSISDBHSA-N 0 0 346.377 3.749 10 0 EHAERN Cc1nnc([C@H](NC(=O)C[C@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000116189176 1031018316 /nfs/dbraw/zinc/01/83/16/1031018316.db2.gz LVEIBSDSVHVGNZ-MGPUTAFESA-N 0 0 348.450 3.821 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000172890045 1031026927 /nfs/dbraw/zinc/02/69/27/1031026927.db2.gz TUTPILLTGOKSAW-UKRRQHHQSA-N 0 0 341.317 3.757 10 0 EHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000173915301 1031132861 /nfs/dbraw/zinc/13/28/61/1031132861.db2.gz STAFHNJHEXAKQW-AUSJPIAWSA-N 0 0 347.418 3.614 10 0 EHAERN COCc1ccccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174087425 1031162426 /nfs/dbraw/zinc/16/24/26/1031162426.db2.gz DACUTXMLJJADOM-UHFFFAOYSA-N 0 0 342.414 3.689 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)s1 ZINC000174920613 1031257491 /nfs/dbraw/zinc/25/74/91/1031257491.db2.gz YNXGTDSZYPJAEN-AWEZNQCLSA-N 0 0 344.484 3.572 10 0 EHAERN CCc1nc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)sc1C ZINC000174888495 1031288215 /nfs/dbraw/zinc/28/82/15/1031288215.db2.gz QTGQGIUXVLEXAD-UONOGXRCSA-N 0 0 333.461 3.516 10 0 EHAERN CCS[C@@H]1CCCCN(C(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176466792 1031441986 /nfs/dbraw/zinc/44/19/86/1031441986.db2.gz HYROUNKWELTAGY-OAHLLOKOSA-N 0 0 345.512 3.938 10 0 EHAERN CSCCN(C)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000176489228 1031444372 /nfs/dbraw/zinc/44/43/72/1031444372.db2.gz YCIQJKCFWABXKP-UHFFFAOYSA-N 0 0 332.473 3.589 10 0 EHAERN CS[C@@H]1CCC[C@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000176624917 1031467092 /nfs/dbraw/zinc/46/70/92/1031467092.db2.gz BRZNQERBEOPWAQ-UONOGXRCSA-N 0 0 331.485 3.594 10 0 EHAERN CN(Cc1ccc(F)cc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000176621952 1031468196 /nfs/dbraw/zinc/46/81/96/1031468196.db2.gz DYYAZALNSRLQSD-UHFFFAOYSA-N 0 0 347.459 3.698 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCCN(C)c4ccccc43)nc21 ZINC000176673658 1031473376 /nfs/dbraw/zinc/47/33/76/1031473376.db2.gz XPZMAYBBFZIULM-UHFFFAOYSA-N 0 0 348.450 3.677 10 0 EHAERN COc1csc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000176874808 1031498021 /nfs/dbraw/zinc/49/80/21/1031498021.db2.gz HUWHREYCCKGPJH-TZMCWYRMSA-N 0 0 331.437 3.784 10 0 EHAERN O=C(NCC(F)(F)F)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177236007 1031524864 /nfs/dbraw/zinc/52/48/64/1031524864.db2.gz GXODWZMHIRBRFM-CABCVRRESA-N 0 0 344.377 3.627 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(CCC(C)C)C3CC3)CC2)n1 ZINC000117057197 1031545718 /nfs/dbraw/zinc/54/57/18/1031545718.db2.gz INHWYAPQQSHJTI-UHFFFAOYSA-N 0 0 344.503 3.579 10 0 EHAERN CC(C)Sc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178709930 1031717691 /nfs/dbraw/zinc/71/76/91/1031717691.db2.gz WMARSVZMYQAJFF-ROUUACIJSA-N 0 0 327.449 3.575 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)CCc3ccccc3)CCO2)o1 ZINC000179038884 1031727217 /nfs/dbraw/zinc/72/72/17/1031727217.db2.gz JYNZFALUAXECEC-DNVCBOLYSA-N 0 0 342.439 3.692 10 0 EHAERN CCC(C)(C)c1ccc(CNC(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000178854061 1031736870 /nfs/dbraw/zinc/73/68/70/1031736870.db2.gz GAMKDPQTRRPDKE-QGZVFWFLSA-N 0 0 325.456 3.765 10 0 EHAERN CC[C@@H](NC(=O)Nc1c[nH]nc1-c1ccccc1)c1c(C)noc1C ZINC000179497252 1031779405 /nfs/dbraw/zinc/77/94/05/1031779405.db2.gz LHENUXJTIPUSFR-CQSZACIVSA-N 0 0 339.399 3.954 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000179501111 1031781249 /nfs/dbraw/zinc/78/12/49/1031781249.db2.gz VWVZWDABQHRSIK-OAHLLOKOSA-N 0 0 336.399 3.559 10 0 EHAERN O=C(CCCc1ccc2ccccc2c1)N1CCC(n2cncn2)CC1 ZINC000180118834 1031805227 /nfs/dbraw/zinc/80/52/27/1031805227.db2.gz BMJIBHRFSHWCMT-UHFFFAOYSA-N 0 0 348.450 3.618 10 0 EHAERN COc1cc(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000180086205 1031840858 /nfs/dbraw/zinc/84/08/58/1031840858.db2.gz ZBWOQNRIKGZYDD-BFUOFWGJSA-N 0 0 331.387 3.502 10 0 EHAERN CCOCc1cc(CN2CCO[C@H](c3ccc(C)o3)C2)ccc1OC ZINC000180213062 1031869084 /nfs/dbraw/zinc/86/90/84/1031869084.db2.gz QDTJWYFYRTZPBD-FQEVSTJZSA-N 0 0 345.439 3.707 10 0 EHAERN Clc1cccc([C@@H]2C[C@@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000329704224 1031891293 /nfs/dbraw/zinc/89/12/93/1031891293.db2.gz IQTMMDWAFBHOIJ-UGUYLWEFSA-N 0 0 345.830 3.530 10 0 EHAERN CCOc1ccccc1NC(=O)CN1CC=C(c2cccs2)CC1 ZINC000117896857 1031921057 /nfs/dbraw/zinc/92/10/57/1031921057.db2.gz SXBGTSTUUUBXMQ-UHFFFAOYSA-N 0 0 342.464 3.875 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cc(=O)[nH]c(C(C)C)c3)CC2)n1 ZINC000181062258 1031944407 /nfs/dbraw/zinc/94/44/07/1031944407.db2.gz ZRFHDUIQYMWUTL-UHFFFAOYSA-N 0 0 345.468 3.695 10 0 EHAERN CCc1nc(CCNC(=O)N2CC=C(c3cccs3)CC2)cs1 ZINC000117964240 1031984636 /nfs/dbraw/zinc/98/46/36/1031984636.db2.gz PPTDGVICMIJQKV-UHFFFAOYSA-N 0 0 347.509 3.808 10 0 EHAERN COC(=O)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117954771 1031985170 /nfs/dbraw/zinc/98/51/70/1031985170.db2.gz NYTMAPBMBPINDC-UHFFFAOYSA-N 0 0 342.420 3.856 10 0 EHAERN COC[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccccc1 ZINC000118070316 1032022246 /nfs/dbraw/zinc/02/22/46/1032022246.db2.gz YURWRAJSOXRFQP-KRWDZBQOSA-N 0 0 342.464 3.935 10 0 EHAERN CC(C)C[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000158779421 1033334764 /nfs/dbraw/zinc/33/47/64/1033334764.db2.gz RZHLCUDGSCBAIB-JKSUJKDBSA-N 0 0 347.507 3.704 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000083740929 1033891812 /nfs/dbraw/zinc/89/18/12/1033891812.db2.gz SOPMNUWJIJRXLB-SJORKVTESA-N 0 0 345.491 3.566 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C[C@H](C)O1 ZINC000282079092 1034056794 /nfs/dbraw/zinc/05/67/94/1034056794.db2.gz ZWYQCIYQQYTNTO-JYYAWHABSA-N 0 0 346.471 3.792 10 0 EHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000120707960 1034078430 /nfs/dbraw/zinc/07/84/30/1034078430.db2.gz QUVGCFHQIPNGRZ-WKIIYXSPSA-N 0 0 339.357 3.746 10 0 EHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000088755702 1034225461 /nfs/dbraw/zinc/22/54/61/1034225461.db2.gz MVPFYGBOAQDBKI-CABCVRRESA-N 0 0 347.507 3.533 10 0 EHAERN O=C(CC/C=C/c1ccccc1)N1CCCN(c2ccccn2)CC1 ZINC000186376611 1035649314 /nfs/dbraw/zinc/64/93/14/1035649314.db2.gz XQFGYGLZILCRPU-NYYWCZLTSA-N 0 0 335.451 3.614 10 0 EHAERN COc1cc(C)c(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1F ZINC000186834211 1035713618 /nfs/dbraw/zinc/71/36/18/1035713618.db2.gz QLQQKDWYNZQVRX-HOCLYGCPSA-N 0 0 346.406 3.645 10 0 EHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc3c(c2)NC(=O)C3)o1 ZINC000188598948 1035929572 /nfs/dbraw/zinc/92/95/72/1035929572.db2.gz XCNHCKFECFLZNJ-SJCJKPOMSA-N 0 0 338.407 3.696 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(C2SCCCS2)cc1 ZINC000188465262 1035938373 /nfs/dbraw/zinc/93/83/73/1035938373.db2.gz BYEGHFJZQKRINY-OAGGEKHMSA-N 0 0 349.521 3.853 10 0 EHAERN CC(C)c1nnc2n1CCN(Cc1ccc3c(c1)CC(C)(C)O3)[C@@H]2C ZINC000188465393 1035939129 /nfs/dbraw/zinc/93/91/29/1035939129.db2.gz FAYJNFPAKJWXOS-CQSZACIVSA-N 0 0 340.471 3.692 10 0 EHAERN O=C(Nc1ccsc1Cl)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000189380917 1036061897 /nfs/dbraw/zinc/06/18/97/1036061897.db2.gz LYGCWRLONLDBFR-LBPRGKRZSA-N 0 0 344.864 3.593 10 0 EHAERN CC(C)C1(CNC(=O)N2CC3(CCOCC3)c3ccccc32)CC1 ZINC000189503112 1036082295 /nfs/dbraw/zinc/08/22/95/1036082295.db2.gz YQUKPBBTSAEVSI-UHFFFAOYSA-N 0 0 328.456 3.701 10 0 EHAERN Cc1nn(C)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000189656767 1036111322 /nfs/dbraw/zinc/11/13/22/1036111322.db2.gz FLZOTPMQEYGACY-ZDUSSCGKSA-N 0 0 335.411 3.673 10 0 EHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cn(C)nc2C)o1 ZINC000189683821 1036114791 /nfs/dbraw/zinc/11/47/91/1036114791.db2.gz QUOHWBXLCAZHMR-WBMJQRKESA-N 0 0 330.432 3.889 10 0 EHAERN O=C(c1cccc2[nH]ccc21)N1CC2(CCOCC2)c2ccccc21 ZINC000189793619 1036128145 /nfs/dbraw/zinc/12/81/45/1036128145.db2.gz ODPKQOYAYDHXFL-UHFFFAOYSA-N 0 0 332.403 3.877 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189884762 1036140686 /nfs/dbraw/zinc/14/06/86/1036140686.db2.gz XSTLYTAWKBIPFF-AWEZNQCLSA-N 0 0 327.384 3.814 10 0 EHAERN O=C([C@H]1CCOc2ccccc21)N1CC2(CCOCC2)c2ccccc21 ZINC000189807943 1036147024 /nfs/dbraw/zinc/14/70/24/1036147024.db2.gz CRVLXWGULFWHSW-KRWDZBQOSA-N 0 0 349.430 3.648 10 0 EHAERN CCS[C@@H](C(=O)N1CC2(CCOCC2)c2ccccc21)C(C)C ZINC000189816866 1036151169 /nfs/dbraw/zinc/15/11/69/1036151169.db2.gz BYLMURINZYRWSL-QGZVFWFLSA-N 0 0 333.497 3.859 10 0 EHAERN O=C(c1cccc2cc[nH]c21)N1CC2(CCOCC2)c2ccccc21 ZINC000189840420 1036153876 /nfs/dbraw/zinc/15/38/76/1036153876.db2.gz GOBONIUINOTVHT-UHFFFAOYSA-N 0 0 332.403 3.877 10 0 EHAERN CC(C)CCC[C@@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189909229 1036161674 /nfs/dbraw/zinc/16/16/74/1036161674.db2.gz KHADRQRSJXSLJU-CQSZACIVSA-N 0 0 338.521 3.944 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccnc1C(F)(F)F ZINC000189950889 1036168074 /nfs/dbraw/zinc/16/80/74/1036168074.db2.gz MFIGXCWFZNNDJW-ZDUSSCGKSA-N 0 0 336.313 3.662 10 0 EHAERN CCC(CC)c1cc(C(=O)N2CCC(Nc3nccs3)CC2)on1 ZINC000190390824 1036232201 /nfs/dbraw/zinc/23/22/01/1036232201.db2.gz OFRTVRKKJAMGNU-UHFFFAOYSA-N 0 0 348.472 3.751 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)Nc1ccsc1Cl)[C@@H]2C ZINC000190431519 1036241294 /nfs/dbraw/zinc/24/12/94/1036241294.db2.gz JEQLTTLRAKTWMW-SECBINFHSA-N 0 0 339.852 3.725 10 0 EHAERN COc1ccc(CCC(=O)N[C@H]2CCOc3c(C)cccc32)cc1F ZINC000190617084 1036268602 /nfs/dbraw/zinc/26/86/02/1036268602.db2.gz LLWSRKAEFSYXFI-KRWDZBQOSA-N 0 0 343.398 3.715 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2cnn(C(C)C)c2C)c2ccccc2)[nH]1 ZINC000191258810 1036355001 /nfs/dbraw/zinc/35/50/01/1036355001.db2.gz IZVBDVJMHOEVHM-UGSOOPFHSA-N 0 0 338.459 3.639 10 0 EHAERN CC[C@@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1c(C)noc1C ZINC000191293002 1036360333 /nfs/dbraw/zinc/36/03/33/1036360333.db2.gz STEKOSPZTRUSEJ-CVEARBPZSA-N 0 0 343.427 3.874 10 0 EHAERN O=C(Nc1nnc(C(F)F)s1)c1ccc(-n2cccc2)c(F)c1 ZINC000104324491 1037021858 /nfs/dbraw/zinc/02/18/58/1037021858.db2.gz BJFFIRUYYHHQHP-UHFFFAOYSA-N 0 0 338.314 3.658 10 0 EHAERN Cc1ccccc1OCCCNC(=O)c1coc(Br)c1 ZINC000104557792 1037059420 /nfs/dbraw/zinc/05/94/20/1037059420.db2.gz LMRHLKSEZYZTNR-UHFFFAOYSA-N 0 0 338.201 3.549 10 0 EHAERN O=C(N[C@@H]1CCCc2occc21)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000193542354 1037186112 /nfs/dbraw/zinc/18/61/12/1037186112.db2.gz JPRXYXKYGHSFKA-ZHALLVOQSA-N 0 0 325.408 3.941 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)no1 ZINC000177518645 1037568862 /nfs/dbraw/zinc/56/88/62/1037568862.db2.gz ZGLJOYAYBBQSML-APIJFGDWSA-N 0 0 334.464 3.864 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)c3nccc4ccccc43)c2)no1 ZINC000102339700 1037578711 /nfs/dbraw/zinc/57/87/11/1037578711.db2.gz GBAOJLMTNRYRPM-UHFFFAOYSA-N 0 0 330.347 3.846 10 0 EHAERN O=C(NCCOc1ccccc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103176575 1037587968 /nfs/dbraw/zinc/58/79/68/1037587968.db2.gz YIYXYASUPHTILB-HXUWFJFHSA-N 0 0 347.418 3.549 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CC(C)(C)c2ccccc2)c2ccccc2)[nH]1 ZINC000103280763 1037588371 /nfs/dbraw/zinc/58/83/71/1037588371.db2.gz QNXMIAXTBIZXBU-IBGZPJMESA-N 0 0 348.450 3.687 10 0 EHAERN C[C@H](Nc1cccc2c1CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCOC1 ZINC000302093593 1037588836 /nfs/dbraw/zinc/58/88/36/1037588836.db2.gz FXDWAEVDIZOCSD-HOCLYGCPSA-N 0 0 346.471 3.817 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2ccc(C)c(Cl)c2)c2ccccc2)[nH]1 ZINC000103279949 1037589237 /nfs/dbraw/zinc/58/92/37/1037589237.db2.gz NSZQVKGEXCFYRJ-MRXNPFEDSA-N 0 0 340.814 3.594 10 0 EHAERN CC(C)N(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CCCC1 ZINC000103980212 1037591816 /nfs/dbraw/zinc/59/18/16/1037591816.db2.gz WFKXTVITXRRKFI-INIZCTEOSA-N 0 0 332.469 3.669 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CC[C@@H](Nc2ccccc2)C1 ZINC000103953162 1037592980 /nfs/dbraw/zinc/59/29/80/1037592980.db2.gz SYCNBIFJCRIAFX-YVNCXZRQSA-N 0 0 343.430 3.961 10 0 EHAERN Cn1ccnc1CC1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000105875993 1037605175 /nfs/dbraw/zinc/60/51/75/1037605175.db2.gz VAXPEVCAVKZEAB-UHFFFAOYSA-N 0 0 342.468 3.591 10 0 EHAERN c1[nH]c([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000114481634 1037799773 /nfs/dbraw/zinc/79/97/73/1037799773.db2.gz FEJHPIKZZOLQGH-INIZCTEOSA-N 0 0 349.438 3.717 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1Br ZINC000117560604 1037854080 /nfs/dbraw/zinc/85/40/80/1037854080.db2.gz ATIUEDSRXXQIED-MEBBXXQBSA-N 0 0 332.197 3.952 10 0 EHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000119344232 1037899885 /nfs/dbraw/zinc/89/98/85/1037899885.db2.gz ZJGQFXIBXJTLNI-SECBINFHSA-N 0 0 341.358 3.972 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)CCC2 ZINC000332682125 1037951313 /nfs/dbraw/zinc/95/13/13/1037951313.db2.gz JDCUDOFOUBYGSV-MSOLQXFVSA-N 0 0 338.455 3.519 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000332926639 1037964117 /nfs/dbraw/zinc/96/41/17/1037964117.db2.gz KVWRXVKFIYLTJO-LMWOUKEDSA-N 0 0 337.489 3.502 10 0 EHAERN CC[C@H]1CCCCN1C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124217726 1038155211 /nfs/dbraw/zinc/15/52/11/1038155211.db2.gz XNNCNGXZUYJEGW-BBRMVZONSA-N 0 0 346.406 3.581 10 0 EHAERN O=Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC000125018602 1038268044 /nfs/dbraw/zinc/26/80/44/1038268044.db2.gz NJTQWWSBTQKTFO-SFHVURJKSA-N 0 0 339.366 3.516 10 0 EHAERN Cc1cnc([C@H](C)Nc2ncc(C(=O)N3CCCCC3)cc2Cl)o1 ZINC000330229100 1039249267 /nfs/dbraw/zinc/24/92/67/1039249267.db2.gz CUEATKHLPKHBSN-LBPRGKRZSA-N 0 0 348.834 3.831 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N[C@]3(C)CCOC3)cc2s1 ZINC000408407330 1039376739 /nfs/dbraw/zinc/37/67/39/1039376739.db2.gz WVJSBCYLMLCHRP-CQSZACIVSA-N 0 0 325.821 3.559 10 0 EHAERN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151527475 1040200429 /nfs/dbraw/zinc/20/04/29/1040200429.db2.gz GRTWXTYAWJQOQC-FZKQIMNGSA-N 0 0 333.815 3.853 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H](C)O1 ZINC000245746662 1040565796 /nfs/dbraw/zinc/56/57/96/1040565796.db2.gz MVEWBBKKFFIBNV-BTTYYORXSA-N 0 0 331.412 3.870 10 0 EHAERN CCC1CCC(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000333023151 1040995108 /nfs/dbraw/zinc/99/51/08/1040995108.db2.gz JWUKWSZJPHIGHT-GPANFISMSA-N 0 0 340.533 3.699 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333040039 1041088400 /nfs/dbraw/zinc/08/84/00/1041088400.db2.gz AHAMEQOVPOOQKQ-MJEZEWASSA-N 0 0 336.439 3.977 10 0 EHAERN O=C(NC[C@@H]1CCC(F)(F)C1)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333038633 1041097819 /nfs/dbraw/zinc/09/78/19/1041097819.db2.gz AAIHGZFKUWBPNS-UPJWGTAASA-N 0 0 344.427 3.703 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)Nc2nc3c(s2)CCCCCC3)o1 ZINC000333094609 1041276665 /nfs/dbraw/zinc/27/66/65/1041276665.db2.gz OVNHCWGNXAHOFL-LLVKDONJSA-N 0 0 334.445 3.981 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC000128537239 1041519892 /nfs/dbraw/zinc/51/98/92/1041519892.db2.gz PXIFQIQHSZDGDJ-UKRRQHHQSA-N 0 0 339.439 3.519 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1cccc(Cl)c1 ZINC000330250627 1042546922 /nfs/dbraw/zinc/54/69/22/1042546922.db2.gz NBCUVYSIPNOCGO-XJKSGUPXSA-N 0 0 344.846 3.662 10 0 EHAERN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000330257041 1042598914 /nfs/dbraw/zinc/59/89/14/1042598914.db2.gz QLPPTYPTZKRCRA-FHLIZLRMSA-N 0 0 330.428 3.651 10 0 EHAERN CC[C@@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1nccs1 ZINC000162526951 1042733157 /nfs/dbraw/zinc/73/31/57/1042733157.db2.gz WWTHKEQFVCKNRD-MRXNPFEDSA-N 0 0 345.468 3.847 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cccc3cc[nH]c31)CCCC2 ZINC000279299165 1043749552 /nfs/dbraw/zinc/74/95/52/1043749552.db2.gz ZQNWOVZPSHLFLK-GOSISDBHSA-N 0 0 348.450 3.758 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000162725162 1043773412 /nfs/dbraw/zinc/77/34/12/1043773412.db2.gz BUJUIWDRHNVZNN-UHFFFAOYSA-N 0 0 332.835 3.560 10 0 EHAERN CO[C@@H]1CCC[C@@H]1OC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000111967747 1044521338 /nfs/dbraw/zinc/52/13/38/1044521338.db2.gz INIIXXPYXZWUHK-CABCVRRESA-N 0 0 335.400 3.602 10 0 EHAERN O=C(NC[C@H](O)Cc1ccccc1)c1ccccc1Cc1ccccc1 ZINC000104908991 1127902825 /nfs/dbraw/zinc/90/28/25/1127902825.db2.gz XJHPFRDCHOOCKR-OAQYLSRUSA-N 0 0 345.442 3.611 10 0 EHAERN CC1(C)Cc2cc(NC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc2O1 ZINC000268944977 1128729576 /nfs/dbraw/zinc/72/95/76/1128729576.db2.gz AZWDNMTZYZVKGB-QRWLVFNGSA-N 0 0 344.455 3.559 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2CCCc3c[nH]nc32)o1 ZINC000269026583 1128735987 /nfs/dbraw/zinc/73/59/87/1128735987.db2.gz KNGSZQSTRMKCFR-LSDHHAIUSA-N 0 0 328.416 3.625 10 0 EHAERN Cc1csc([C@H]2COCCN2C(=O)C=C2CCC(C)(C)CC2)n1 ZINC000188660528 1132143027 /nfs/dbraw/zinc/14/30/27/1132143027.db2.gz PFHZYBQJBDAZKL-OAHLLOKOSA-N 0 0 334.485 3.878 10 0 EHAERN COCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000103334290 1132816428 /nfs/dbraw/zinc/81/64/28/1132816428.db2.gz ZTZZIZAIJZCCAL-UHFFFAOYSA-N 0 0 327.380 3.522 10 0 EHAERN CCOCCOC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000103330990 1132825663 /nfs/dbraw/zinc/82/56/63/1132825663.db2.gz CVJBATVEFNYCCP-UONOGXRCSA-N 0 0 331.437 3.926 10 0 EHAERN CC[C@@H](CC(=O)NCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000103443884 1132895267 /nfs/dbraw/zinc/89/52/67/1132895267.db2.gz VQKJVVSNOPCSSV-HNNXBMFYSA-N 0 0 334.460 3.601 10 0 EHAERN C[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)c1ccccc1F ZINC000102604330 1135602168 /nfs/dbraw/zinc/60/21/68/1135602168.db2.gz JZRCGQMOQWMNNS-CYBMUJFWSA-N 0 0 329.371 3.627 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000104456199 1135816659 /nfs/dbraw/zinc/81/66/59/1135816659.db2.gz XSLNFCUYSDZSCY-UHFFFAOYSA-N 0 0 339.222 3.712 10 0 EHAERN CCOc1ccc(COC(=O)/C=C/c2cncc(F)c2)cc1OCC ZINC000105365017 1135944445 /nfs/dbraw/zinc/94/44/45/1135944445.db2.gz KBVVXQGSEXWBMZ-SOFGYWHQSA-N 0 0 345.370 3.775 10 0 EHAERN CCCCOc1ccccc1COC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000103674940 1137470906 /nfs/dbraw/zinc/47/09/06/1137470906.db2.gz NDLXECVBAQGDNY-KRWDZBQOSA-N 0 0 347.455 3.556 10 0 EHAERN CC(C)[C@@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000102996024 1137874840 /nfs/dbraw/zinc/87/48/40/1137874840.db2.gz ZGQJVHNIUVGMEK-MRXNPFEDSA-N 0 0 338.407 3.786 10 0 EHAERN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)cc1 ZINC000003553869 1138102873 /nfs/dbraw/zinc/10/28/73/1138102873.db2.gz BVORGYNYICHYMN-AWEZNQCLSA-N 0 0 342.826 3.948 10 0 EHAERN CC(=O)N1CCc2cc(-c3nc(C(C)(C)C4CCC4)no3)ccc21 ZINC000333281475 1138273695 /nfs/dbraw/zinc/27/36/95/1138273695.db2.gz XYHDBWIGCFJXMM-UHFFFAOYSA-N 0 0 325.412 3.723 10 0 EHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@@H]2CCC[C@H]21 ZINC000333316677 1138276511 /nfs/dbraw/zinc/27/65/11/1138276511.db2.gz KIBYMHNNABMXGJ-GXFFZTMASA-N 0 0 333.338 3.852 10 0 EHAERN CC1(C)CCC[C@H](CNC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000333713669 1138324236 /nfs/dbraw/zinc/32/42/36/1138324236.db2.gz UBNVITKIDHNBSA-RYQLBKOJSA-N 0 0 345.487 3.817 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)C1(C)C ZINC000333831922 1138336618 /nfs/dbraw/zinc/33/66/18/1138336618.db2.gz JNRZREJGDKYCKE-LSOMNZGLSA-N 0 0 333.476 3.709 10 0 EHAERN CC(C)(C)c1csc(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)n1 ZINC000333938804 1138350284 /nfs/dbraw/zinc/35/02/84/1138350284.db2.gz MUNGAFKOXFPMJY-SRVKXCTJSA-N 0 0 333.457 3.540 10 0 EHAERN O=C1NCCc2c(N[C@@H]3CC4(CCC4)Oc4ccccc43)cccc21 ZINC000333939628 1138350859 /nfs/dbraw/zinc/35/08/59/1138350859.db2.gz NIMZCFOQVSWAJM-GOSISDBHSA-N 0 0 334.419 3.831 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](C)Oc2ccccc2)cs1 ZINC000186689730 1140217199 /nfs/dbraw/zinc/21/71/99/1140217199.db2.gz QOMADSMBWSLGKS-GUYCJALGSA-N 0 0 345.468 3.766 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)cs1 ZINC000186901010 1140227425 /nfs/dbraw/zinc/22/74/25/1140227425.db2.gz YFCXMVLWDCEOMJ-AWEZNQCLSA-N 0 0 345.424 3.592 10 0 EHAERN COc1cc(C(=O)N2CCC[C@H]2c2csc(C)n2)cc(OC)c1C ZINC000187128578 1140240924 /nfs/dbraw/zinc/24/09/24/1140240924.db2.gz UARMRSKEBMMOMC-HNNXBMFYSA-N 0 0 346.452 3.754 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2nc(C3CC3)cs2)cs1 ZINC000187208723 1140244391 /nfs/dbraw/zinc/24/43/91/1140244391.db2.gz UGVSADSSXWBLQA-AWEZNQCLSA-N 0 0 348.497 3.832 10 0 EHAERN CCc1ccccc1NC(=O)CN1CCC[C@H]1c1csc(C)n1 ZINC000189804636 1140364437 /nfs/dbraw/zinc/36/44/37/1140364437.db2.gz OMDUFPLOUMNVDE-KRWDZBQOSA-N 0 0 329.469 3.790 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000190104665 1140386939 /nfs/dbraw/zinc/38/69/39/1140386939.db2.gz RFNOXOCFUGXEIJ-FZMZJTMJSA-N 0 0 342.226 3.647 10 0 EHAERN CCNc1ccc(C(=O)Nc2ncc(Br)s2)cc1 ZINC000050769729 214068941 /nfs/dbraw/zinc/06/89/41/214068941.db2.gz VMDVOFMUPMUDSS-UHFFFAOYSA-N 0 0 326.219 3.590 10 0 EHAERN O[C@H](Cc1cccc(Br)c1)Cc1ccc(F)cc1F ZINC000050885796 214072472 /nfs/dbraw/zinc/07/24/72/214072472.db2.gz XBDHTEKEKPVDAV-CQSZACIVSA-N 0 0 327.168 3.873 10 0 EHAERN Cc1nc(N(C)Cc2ccccc2Br)sc1[C@@H](C)O ZINC000054928066 214261514 /nfs/dbraw/zinc/26/15/14/214261514.db2.gz DBYXKUFZTACFGK-SNVBAGLBSA-N 0 0 341.274 3.904 10 0 EHAERN O=C1COCCN1c1cccc(SCc2ccccc2)c1Cl ZINC000097758371 219054645 /nfs/dbraw/zinc/05/46/45/219054645.db2.gz OIAYKCLSOVNICQ-UHFFFAOYSA-N 0 0 333.840 3.996 10 0 EHAERN CC(C)COCCNC(=O)c1cc(Br)ccc1Cl ZINC000055499633 214326516 /nfs/dbraw/zinc/32/65/16/214326516.db2.gz XEFRKVLRXRLNAS-UHFFFAOYSA-N 0 0 334.641 3.505 10 0 EHAERN CCNc1ccc(C(=O)Nc2ncc(Br)s2)cc1C ZINC000063057233 214740644 /nfs/dbraw/zinc/74/06/44/214740644.db2.gz YFASDRXEOWHWEZ-UHFFFAOYSA-N 0 0 340.246 3.898 10 0 EHAERN CC(C)(C)OC(=O)n1nc(COCc2ccccc2)c2cccnc21 ZINC000059043770 214613794 /nfs/dbraw/zinc/61/37/94/214613794.db2.gz GURGVEZZPXOIOT-UHFFFAOYSA-N 0 0 339.395 3.931 10 0 EHAERN CCOC(=O)[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 ZINC000098091717 219083421 /nfs/dbraw/zinc/08/34/21/219083421.db2.gz MLBFBZPNKSSBQE-GJZGRUSLSA-N 0 0 349.427 3.663 10 0 EHAERN CCOC(=O)[C@@]1(Nc2ccc(Br)cc2)CCCSC1 ZINC000061590572 214667103 /nfs/dbraw/zinc/66/71/03/214667103.db2.gz ANBYSRMZSWPXGZ-CQSZACIVSA-N 0 0 344.274 3.690 10 0 EHAERN COc1cccc(-c2[nH]c(=S)nnc2-c2ccccc2OC)c1 ZINC000049452805 214008548 /nfs/dbraw/zinc/00/85/48/214008548.db2.gz GIZZFOAHWPPBCJ-UHFFFAOYSA-N 0 0 325.393 3.512 10 0 EHAERN Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nnc(C3CC3)o2)c1 ZINC000065035512 214824624 /nfs/dbraw/zinc/82/46/24/214824624.db2.gz LXVLZSUABFGLRN-UHFFFAOYSA-N 0 0 336.395 3.671 10 0 EHAERN OCc1cnc(SCc2ccc(F)cc2)n1Cc1ccccc1F ZINC000004172401 210138680 /nfs/dbraw/zinc/13/86/80/210138680.db2.gz YACWYGVWTGGGTF-UHFFFAOYSA-N 0 0 346.402 3.994 10 0 EHAERN CCOc1ccc(CCC(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000041000039 213407584 /nfs/dbraw/zinc/40/75/84/213407584.db2.gz RJBZLOZOHPYXJC-UHFFFAOYSA-N 0 0 341.407 3.868 10 0 EHAERN CCC(=O)N(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000040966241 213404187 /nfs/dbraw/zinc/40/41/87/213404187.db2.gz ZUIJVUSAPDCWMD-UHFFFAOYSA-N 0 0 331.437 3.689 10 0 EHAERN CC(C)Oc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N ZINC000040795995 213387463 /nfs/dbraw/zinc/38/74/63/213387463.db2.gz RYPGDWLLPYALQZ-UHFFFAOYSA-N 0 0 347.728 3.657 10 0 EHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1cccnc1Cl ZINC000040779647 213386210 /nfs/dbraw/zinc/38/62/10/213386210.db2.gz UWQNWXPWTPJAJY-UHFFFAOYSA-N 0 0 348.197 3.643 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3cccc4ccccc43)c2N)n1 ZINC000040759100 213383303 /nfs/dbraw/zinc/38/33/03/213383303.db2.gz WKZALLMCXXSQRC-UHFFFAOYSA-N 0 0 330.395 3.758 10 0 EHAERN Cc1ccc2cccc(Oc3ncnc(Nc4cccnc4)c3N)c2n1 ZINC000040752276 213381839 /nfs/dbraw/zinc/38/18/39/213381839.db2.gz JQMKKELSDQXMCN-UHFFFAOYSA-N 0 0 344.378 3.846 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Oc3cccc4ccccc43)c2N)n1 ZINC000040683505 213369273 /nfs/dbraw/zinc/36/92/73/213369273.db2.gz WPTJNIRXCXRKKR-UHFFFAOYSA-N 0 0 331.379 3.807 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3ccc(C)c(Cl)c3)c2N)n1 ZINC000040703930 213372050 /nfs/dbraw/zinc/37/20/50/213372050.db2.gz BMHKSYPHVKYLSG-UHFFFAOYSA-N 0 0 328.807 3.567 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)n1 ZINC000040704347 213371674 /nfs/dbraw/zinc/37/16/74/213371674.db2.gz ULYZAZNIDVKZPM-UHFFFAOYSA-N 0 0 349.225 3.912 10 0 EHAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(OC)cc2)c1N ZINC000040679646 213368584 /nfs/dbraw/zinc/36/85/84/213368584.db2.gz KJGYRCMHWZVFIZ-UHFFFAOYSA-N 0 0 335.411 3.969 10 0 EHAERN Cc1cc(Nc2ncnc(Nc3cccc4nc(C)ccc43)c2N)no1 ZINC000040681188 213368436 /nfs/dbraw/zinc/36/84/36/213368436.db2.gz KELZBDRYMCHFIX-UHFFFAOYSA-N 0 0 347.382 3.699 10 0 EHAERN Cc1cc2nc(CO)n(CCOc3ccc(Cl)cc3)c2cc1C ZINC000040308965 213290576 /nfs/dbraw/zinc/29/05/76/213290576.db2.gz JMPDTVXCCOKOPE-UHFFFAOYSA-N 0 0 330.815 3.878 10 0 EHAERN CCOC(=O)[C@](C)(N[C@H](C)CC)c1ccc(Br)cc1 ZINC000038067782 213199753 /nfs/dbraw/zinc/19/97/53/213199753.db2.gz SZKHHVBOASKEAJ-IAQYHMDHSA-N 0 0 328.250 3.616 10 0 EHAERN COC(=O)c1sc(-c2ccc(OC)c(Br)c2)cc1N ZINC000038074211 213199293 /nfs/dbraw/zinc/19/92/93/213199293.db2.gz OQEJVUOVKBYXJT-UHFFFAOYSA-N 0 0 342.214 3.555 10 0 EHAERN COc1ccc(N)cc1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000038033286 213193605 /nfs/dbraw/zinc/19/36/05/213193605.db2.gz CKYKKWMVGAFVMW-UHFFFAOYSA-N 0 0 325.195 3.514 10 0 EHAERN CCOC(=O)[C@](C)(NC1CCCC1)c1cccc(Br)c1 ZINC000037970555 213177313 /nfs/dbraw/zinc/17/73/13/213177313.db2.gz WQBYIMRFRKYXLF-MRXNPFEDSA-N 0 0 340.261 3.760 10 0 EHAERN COc1ccc(Br)cc1[C@@H]([NH2+]C1CCCCC1)C(=O)[O-] ZINC000037971821 213176994 /nfs/dbraw/zinc/17/69/94/213176994.db2.gz QPJKONTWOGBFKI-CQSZACIVSA-N 0 0 342.233 3.506 10 0 EHAERN CC[C@H](C)C[C@](CC)(Nc1cccc(Br)c1)C(N)=O ZINC000037944392 213174941 /nfs/dbraw/zinc/17/49/41/213174941.db2.gz OGBVJJHKNATCKQ-NHYWBVRUSA-N 0 0 327.266 3.931 10 0 EHAERN Brc1cc(CNc2ccccc2-n2cncn2)cs1 ZINC000037042351 213131223 /nfs/dbraw/zinc/13/12/23/213131223.db2.gz NGYDSCLHVMMXIF-UHFFFAOYSA-N 0 0 335.230 3.703 10 0 EHAERN Cc1c(C(=O)Oc2ccc(C)cc2)nnn1-c1ccc(Cl)cc1 ZINC000036639033 213106174 /nfs/dbraw/zinc/10/61/74/213106174.db2.gz VXIQTXDWGYWVPT-UHFFFAOYSA-N 0 0 327.771 3.757 10 0 EHAERN O=S1(=O)CCC(Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000035652426 213043803 /nfs/dbraw/zinc/04/38/03/213043803.db2.gz RNLVWCMDWAZQPQ-UHFFFAOYSA-N 0 0 328.648 3.636 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCCOc1ccc(C)cc1 ZINC000035143746 213010614 /nfs/dbraw/zinc/01/06/14/213010614.db2.gz GJGOIWMETYJQSN-UHFFFAOYSA-N 0 0 349.434 3.616 10 0 EHAERN CC(C)[C@@]1(C)CC(=O)N(c2ccc(Br)cc2F)C1=O ZINC000035084134 213006694 /nfs/dbraw/zinc/00/66/94/213006694.db2.gz SZGAAWWPYDRZQU-CQSZACIVSA-N 0 0 328.181 3.514 10 0 EHAERN Nc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000034973199 213003798 /nfs/dbraw/zinc/00/37/98/213003798.db2.gz QGKMYYICEQLMRA-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN CC(C)OC(=O)Cn1ccc(=O)c2cc(Cl)c(C(F)(F)F)cc21 ZINC000072237313 216075921 /nfs/dbraw/zinc/07/59/21/216075921.db2.gz YIPCLLULZZWOOX-UHFFFAOYSA-N 0 0 347.720 3.625 10 0 EHAERN COc1cccc2sc(NC(=O)COc3cccc(C)c3C)nc21 ZINC000028841126 212639308 /nfs/dbraw/zinc/63/93/08/212639308.db2.gz JBCOTRHKKKKWSY-UHFFFAOYSA-N 0 0 342.420 3.939 10 0 EHAERN O=C1CSC(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccs2)=N1 ZINC000072413947 216205318 /nfs/dbraw/zinc/20/53/18/216205318.db2.gz MPPRAEPXOVYXRA-ZDUSSCGKSA-N 0 0 345.424 3.668 10 0 EHAERN O=c1[nH]c(Nc2ccc(F)cc2)nc2nccc(-c3ccsc3)c12 ZINC000072441184 216235066 /nfs/dbraw/zinc/23/50/66/216235066.db2.gz JJSKGINUPFOGKY-UHFFFAOYSA-N 0 0 338.367 3.929 10 0 EHAERN O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3ccsc3)c12 ZINC000072441187 216235323 /nfs/dbraw/zinc/23/53/23/216235323.db2.gz OYWLLUKTGJCIKB-UHFFFAOYSA-N 0 0 334.404 3.659 10 0 EHAERN CCc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2C)cc1 ZINC000072464995 216246476 /nfs/dbraw/zinc/24/64/76/216246476.db2.gz IMKQTUDHAIKTJW-UHFFFAOYSA-N 0 0 338.455 3.836 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000190668418 238664827 /nfs/dbraw/zinc/66/48/27/238664827.db2.gz JCSDZRFYNWDXCF-GUYCJALGSA-N 0 0 326.396 3.585 10 0 EHAERN COc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)c1 ZINC000023551844 212383122 /nfs/dbraw/zinc/38/31/22/212383122.db2.gz PVPYMRCQNHPCRD-NSHDSACASA-N 0 0 327.409 3.691 10 0 EHAERN COc1ccccc1CC(=O)N[C@H](C)c1ccccc1Br ZINC000023525794 212381886 /nfs/dbraw/zinc/38/18/86/212381886.db2.gz AYLYXMSRQFHKJD-GFCCVEGCSA-N 0 0 348.240 3.878 10 0 EHAERN COc1ccc(-c2onc(C)c2C(=O)NCCc2cccs2)cc1 ZINC000022657942 212314753 /nfs/dbraw/zinc/31/47/53/212314753.db2.gz ORQQZMYFDBQZLI-UHFFFAOYSA-N 0 0 342.420 3.693 10 0 EHAERN COc1ccc2c(c1)-c1onc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c1CC2 ZINC000022620720 212312409 /nfs/dbraw/zinc/31/24/09/212312409.db2.gz ZCYXFQHNGFJYTH-CHWSQXEVSA-N 0 0 340.423 3.567 10 0 EHAERN O=C(c1noc2c1CCCC2)N1CCCC[C@H]1CCc1ccccn1 ZINC000219258742 241371871 /nfs/dbraw/zinc/37/18/71/241371871.db2.gz ROVZUMAMOYYDIY-INIZCTEOSA-N 0 0 339.439 3.576 10 0 EHAERN C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1)c1ccccc1 ZINC000021159063 212212117 /nfs/dbraw/zinc/21/21/17/212212117.db2.gz IBTVPYZZBPIXRD-RDJZCZTQSA-N 0 0 348.450 3.657 10 0 EHAERN Cc1cc(O)ccc1NC(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000021025193 212200772 /nfs/dbraw/zinc/20/07/72/212200772.db2.gz RKKCAQUYWHWOIV-UHFFFAOYSA-N 0 0 326.396 3.938 10 0 EHAERN Cc1cc2nc(CO)n(CCOc3ccccc3Cl)c2cc1C ZINC000020720676 212163224 /nfs/dbraw/zinc/16/32/24/212163224.db2.gz GCLDHSLMEMWBSO-UHFFFAOYSA-N 0 0 330.815 3.878 10 0 EHAERN Nc1cc(F)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000020002198 212093887 /nfs/dbraw/zinc/09/38/87/212093887.db2.gz LIWLPRUVYNERFE-UHFFFAOYSA-N 0 0 329.158 3.732 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1Br ZINC000019874359 212078707 /nfs/dbraw/zinc/07/87/07/212078707.db2.gz JGIBWWDFHIXLTR-UHFFFAOYSA-N 0 0 331.213 3.624 10 0 EHAERN Cc1ccc(NC(=O)c2cccc(C(N)=S)c2)c(Br)c1 ZINC000019519252 212036342 /nfs/dbraw/zinc/03/63/42/212036342.db2.gz ZTCNVLYLZOPZNC-UHFFFAOYSA-N 0 0 349.253 3.644 10 0 EHAERN NC(=S)c1cccnc1Oc1ccc(Cl)cc1Br ZINC000019431878 212027497 /nfs/dbraw/zinc/02/74/97/212027497.db2.gz NAZUTINRWJLYEL-UHFFFAOYSA-N 0 0 343.633 3.924 10 0 EHAERN Cc1cc(Br)ccc1NC(=O)[C@@H]1CNc2ccccc2O1 ZINC000019435947 212027253 /nfs/dbraw/zinc/02/72/53/212027253.db2.gz HKJHKXBHPUNWCB-HNNXBMFYSA-N 0 0 347.212 3.569 10 0 EHAERN CCc1ccc(N2CC[C@H](C(=O)NC3CCCCCCC3)C2=O)cc1 ZINC000015864815 211863957 /nfs/dbraw/zinc/86/39/57/211863957.db2.gz GUXYZGIXRWLMQC-LJQANCHMSA-N 0 0 342.483 3.831 10 0 EHAERN Cc1ccc(C(=O)NC[C@H]2CC(Cc3ccc(F)cc3)=NO2)cc1C ZINC000011788531 211247935 /nfs/dbraw/zinc/24/79/35/211247935.db2.gz WQIFTECQDHDITI-LJQANCHMSA-N 0 0 340.398 3.560 10 0 EHAERN COc1ccc(CNC(=O)c2c(N)sc3c2CCCCC3)cc1 ZINC000009246181 211058071 /nfs/dbraw/zinc/05/80/71/211058071.db2.gz XXGIEUYNJAJLAL-UHFFFAOYSA-N 0 0 330.453 3.538 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cncs2)C1 ZINC000095085211 218276288 /nfs/dbraw/zinc/27/62/88/218276288.db2.gz CLWGRAODWKAYFF-ZDUSSCGKSA-N 0 0 326.462 3.697 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1ncc(Cl)cn1 ZINC000095086331 218277398 /nfs/dbraw/zinc/27/73/98/218277398.db2.gz WWESQIFRTLEGHZ-ZDUSSCGKSA-N 0 0 341.839 3.689 10 0 EHAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000095075029 218272840 /nfs/dbraw/zinc/27/28/40/218272840.db2.gz AHPXOVPNMGHBHR-CQSZACIVSA-N 0 0 344.459 3.789 10 0 EHAERN Cc1nccnc1OCCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095090599 218279917 /nfs/dbraw/zinc/27/99/17/218279917.db2.gz QZZVMNWIMBOEJF-HNNXBMFYSA-N 0 0 335.448 3.591 10 0 EHAERN CC(C)OC(=O)N1CCCC(=O)c2ccc(Br)cc21 ZINC000095626884 218445723 /nfs/dbraw/zinc/44/57/23/218445723.db2.gz BTCYMWIQHOJKRE-UHFFFAOYSA-N 0 0 326.190 3.777 10 0 EHAERN CCN(CC)C(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006772112 210707399 /nfs/dbraw/zinc/70/73/99/210707399.db2.gz WKUADLLDXLUXIA-JOCHJYFZSA-N 0 0 339.844 3.723 10 0 EHAERN COc1cc(NC(=O)c2ccccc2)c(OC)cc1Br ZINC000006180528 210597169 /nfs/dbraw/zinc/59/71/69/210597169.db2.gz QQXDMYYUMNPPMA-UHFFFAOYSA-N 0 0 336.185 3.719 10 0 EHAERN Cc1cc(Oc2cncc(F)c2)cc(C(=O)Nc2ccc(F)cn2)n1 ZINC000096927311 218900267 /nfs/dbraw/zinc/90/02/67/218900267.db2.gz MBSANIMQXDBICP-UHFFFAOYSA-N 0 0 342.305 3.503 10 0 EHAERN COc1ccc(OC)c([C@@H]2SCCN2C(=O)c2ccccc2F)c1 ZINC000004752204 210271002 /nfs/dbraw/zinc/27/10/02/210271002.db2.gz PEHHDFQRTUDFMN-SFHVURJKSA-N 0 0 347.411 3.731 10 0 EHAERN O=Cc1nc(-c2ccccc2)sc1N1CCN(c2ccccc2)CC1 ZINC000026476740 135595592 /nfs/dbraw/zinc/59/55/92/135595592.db2.gz OWTAWKRPFQBSAR-UHFFFAOYSA-N 0 0 349.459 3.949 10 0 EHAERN CC[C@@H](Nc1cnn(CCOC)c1)c1cccc(Br)c1 ZINC000037305445 522965095 /nfs/dbraw/zinc/96/50/95/522965095.db2.gz PFIUXNBYHCTEGZ-OAHLLOKOSA-N 0 0 338.249 3.855 10 0 EHAERN CCCC[C@@H]1C(C(=O)Nc2ccccc2)=C(C)NC(C)=C1C(=O)OC ZINC000196207885 534941693 /nfs/dbraw/zinc/94/16/93/534941693.db2.gz PGBDVQXTIKYPOF-MRXNPFEDSA-N 0 0 342.439 3.756 10 0 EHAERN CCn1c(C)csc1=Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000000089199 563221760 /nfs/dbraw/zinc/22/17/60/563221760.db2.gz KTLNWZQHGPTYBE-GJZGRUSLSA-O 0 0 332.493 3.721 10 0 EHAERN COc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000002685578 563445861 /nfs/dbraw/zinc/44/58/61/563445861.db2.gz YYVVKVWBTKCTQK-YBEGLDIGSA-N 0 0 341.388 3.950 10 0 EHAERN CC[C@H](C)c1nc2[nH]cc(I)c2c(Cl)n1 ZINC000584881049 563879185 /nfs/dbraw/zinc/87/91/85/563879185.db2.gz KPMMKTMPLNWHOL-YFKPBYRVSA-N 0 0 335.576 3.681 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1cnc(Cl)s1)CCCC2 ZINC000276144181 563984310 /nfs/dbraw/zinc/98/43/10/563984310.db2.gz ZBZQIAZQROPNNF-AWEZNQCLSA-N 0 0 336.892 3.746 10 0 EHAERN Cc1ccc(C)c(-c2nnc(NC[C@@H](O)c3ccccc3)s2)c1 ZINC000000389407 564082603 /nfs/dbraw/zinc/08/26/03/564082603.db2.gz JZXAMUITGZGGCN-MRXNPFEDSA-N 0 0 325.437 3.967 10 0 EHAERN COC(=O)c1cnn2c(NC3CCCC3)c(-c3ccc(C)cc3)[nH]c12 ZINC000006553785 564091988 /nfs/dbraw/zinc/09/19/88/564091988.db2.gz XVOIIWNGTKSDPM-UHFFFAOYSA-N 0 0 338.411 3.779 10 0 EHAERN CC(C)c1nc([C@@]23CC[C@@](C)(OC2=O)C3(C)C)n(-c2ccccc2)n1 ZINC000065432330 564105926 /nfs/dbraw/zinc/10/59/26/564105926.db2.gz ZYDHNXWEWNJGNN-UXHICEINSA-N 0 0 339.439 3.764 10 0 EHAERN Cc1cc(OC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc(C)c1N ZINC000077273757 564134178 /nfs/dbraw/zinc/13/41/78/564134178.db2.gz OVJPPSZSLZBMHO-OAHLLOKOSA-N 0 0 348.443 3.581 10 0 in-vitro EHAERN CCCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1 ZINC000003031725 564154546 /nfs/dbraw/zinc/15/45/46/564154546.db2.gz KLDUOIMANXMFLR-UHFFFAOYSA-N 0 0 331.485 3.601 10 0 EHAERN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)CCCOCc1ccccc1 ZINC000405734866 564177591 /nfs/dbraw/zinc/17/75/91/564177591.db2.gz VWCYCJDFCSTYBH-HNNXBMFYSA-N 0 0 335.444 3.713 10 0 EHAERN O=C([O-])C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000692454016 968915578 /nfs/dbraw/zinc/91/55/78/968915578.db2.gz GIWNZWQTOVWRHS-UHFFFAOYSA-N 0 0 334.213 3.536 10 0 EHAERN CSCCCCCCNC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000182197268 1032077686 /nfs/dbraw/zinc/07/76/86/1032077686.db2.gz QLSTYJLTVPZCCD-UHFFFAOYSA-N 0 0 349.544 3.969 10 0 EHAERN O=C([O-])c1occc1C[NH2+][C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000709625136 977461953 /nfs/dbraw/zinc/46/19/53/977461953.db2.gz CQGIQJXZVMGZLO-SFHVURJKSA-N 0 0 342.439 3.512 10 0 EHAERN CC[C@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1nccs1 ZINC000187201858 1015018617 /nfs/dbraw/zinc/01/86/17/1015018617.db2.gz ZUMBMPFGBJTODH-AAEUAGOBSA-N 0 0 336.486 3.906 10 0 EHAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246302392 1015968163 /nfs/dbraw/zinc/96/81/63/1015968163.db2.gz BWDSKRBPMNHMFZ-IIDMSEBBSA-N 0 0 343.471 3.882 10 0 EHAERN C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000407962538 1016513422 /nfs/dbraw/zinc/51/34/22/1016513422.db2.gz MZDKQKHGCBWRHG-NWDGAFQWSA-N 0 0 337.851 3.694 10 0 EHAERN c1cnn(-c2ncccc2CN[C@@H](c2ccco2)c2ccccc2)c1 ZINC000183344117 1032161576 /nfs/dbraw/zinc/16/15/76/1032161576.db2.gz NJOSRUXYGMKEQT-LJQANCHMSA-N 0 0 330.391 3.740 10 0 EHAERN Cn1c(=O)oc2ccc(N[C@@H]3CCCOc4ccc(F)cc43)cc21 ZINC000183082689 1032162459 /nfs/dbraw/zinc/16/24/59/1032162459.db2.gz WAZGDYCMQAVJTC-CQSZACIVSA-N 0 0 328.343 3.596 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2cccc(F)c2F)c2ccccc2)[nH]1 ZINC000183255081 1032186335 /nfs/dbraw/zinc/18/63/35/1032186335.db2.gz DUZDZWBRBBNQON-APPDUMDISA-N 0 0 328.366 3.832 10 0 EHAERN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCn2ccnc21 ZINC000080609136 1032216094 /nfs/dbraw/zinc/21/60/94/1032216094.db2.gz KUVKLBLSSIFBFT-SNVBAGLBSA-N 0 0 327.281 3.557 10 0 EHAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000184230971 1032275776 /nfs/dbraw/zinc/27/57/76/1032275776.db2.gz BPMRLMQDAJGDFJ-JOYOIKCWSA-N 0 0 341.782 3.758 10 0 EHAERN Cc1nc(C(=O)Nc2cccc(-c3ncon3)c2)c(-c2ccccc2)o1 ZINC000185086812 1032363788 /nfs/dbraw/zinc/36/37/88/1032363788.db2.gz JXSTVGUKUSSYCF-UHFFFAOYSA-N 0 0 346.346 3.952 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3scnc3C3CCCC3)CCO2)o1 ZINC000185202126 1032368130 /nfs/dbraw/zinc/36/81/30/1032368130.db2.gz HMNJCEPCGKVTGO-OAHLLOKOSA-N 0 0 346.452 3.916 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)CC2CCCCC2)c2ccc(F)cc2C1 ZINC000185516930 1032439098 /nfs/dbraw/zinc/43/90/98/1032439098.db2.gz OILFOKRCROCXDV-IBGZPJMESA-N 0 0 346.446 3.706 10 0 EHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000081556532 1032577225 /nfs/dbraw/zinc/57/72/25/1032577225.db2.gz JOAUULAYIFQEGU-CVEARBPZSA-N 0 0 329.831 3.778 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2noc3c2CCCCC3)cs1 ZINC000275585854 1017280169 /nfs/dbraw/zinc/28/01/69/1017280169.db2.gz ZPKQHGWKUVBCOL-AWEZNQCLSA-N 0 0 331.441 3.686 10 0 EHAERN O=C(c1noc2c1CCCCC2)N1CCCC[C@H]1c1nccs1 ZINC000275819709 1018979556 /nfs/dbraw/zinc/97/95/56/1018979556.db2.gz MOWKETSPHCGTBX-ZDUSSCGKSA-N 0 0 331.441 3.767 10 0 EHAERN COCc1c(Br)cccc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085636357 1019113251 /nfs/dbraw/zinc/11/32/51/1019113251.db2.gz PUMUXIXPASXTMD-KMUNFCNLSA-N 0 0 340.261 3.821 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc4cc[nH]c(=O)c4c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333357046 1019399410 /nfs/dbraw/zinc/39/94/10/1019399410.db2.gz GNZSSZRCTHNEMS-QRKDATQKSA-N 0 0 337.423 3.840 10 0 EHAERN O=C(NCc1cc(C2CC2)ccc1F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333518077 1019828753 /nfs/dbraw/zinc/82/87/53/1019828753.db2.gz NIQKGSSYTPKQHH-YLJYHZDGSA-N 0 0 346.446 3.540 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)NC[C@H]2CCCC[C@H]2O)cs1 ZINC000333525124 1019863945 /nfs/dbraw/zinc/86/39/45/1019863945.db2.gz XAIWSRWIVUSFRS-CXAGYDPISA-N 0 0 345.468 3.791 10 0 EHAERN O=C(Nc1ccc2c(c1)CCC(=O)N2)N1CC=C(c2ccccc2)CC1 ZINC000078262401 1021534987 /nfs/dbraw/zinc/53/49/87/1021534987.db2.gz JPJJOEMZSNHCCZ-UHFFFAOYSA-N 0 0 347.418 3.893 10 0 EHAERN CC(C)(C)/C=C\C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000588427356 1021621120 /nfs/dbraw/zinc/62/11/20/1021621120.db2.gz WTLZHDJCEYFOPW-HJWRWDBZSA-N 0 0 338.492 3.742 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000246608803 1022089700 /nfs/dbraw/zinc/08/97/00/1022089700.db2.gz XZGXEWQWCAQJKB-LMOYCYGVSA-N 0 0 343.427 3.591 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)CC/C=C\c1ccccc1 ZINC000588434131 1022116323 /nfs/dbraw/zinc/11/63/23/1022116323.db2.gz WEBUSOFUJOJBBW-OWJONZBZSA-N 0 0 344.455 3.677 10 0 EHAERN COc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c(OC)c1 ZINC000333823589 1022209313 /nfs/dbraw/zinc/20/93/13/1022209313.db2.gz KGKMGJBTWUQBBQ-CFLYGVGMSA-N 0 0 330.428 3.604 10 0 EHAERN Cc1cc(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1C1CCCCC1 ZINC000328945750 1022537477 /nfs/dbraw/zinc/53/74/77/1022537477.db2.gz VFMLCDRZMMRLOD-MUJYYYPQSA-N 0 0 333.476 3.630 10 0 EHAERN CC(C)c1noc(CCCNC(=O)N(C)[C@@H](C)c2ccccc2)n1 ZINC000101609492 1022572882 /nfs/dbraw/zinc/57/28/82/1022572882.db2.gz YTMYAGIZYQQHKQ-AWEZNQCLSA-N 0 0 330.432 3.528 10 0 EHAERN CCOc1ccccc1[C@@H](CC)NC(=O)NCc1cccc(C)n1 ZINC000101617200 1022593408 /nfs/dbraw/zinc/59/34/08/1022593408.db2.gz ZTHIKWNKDJAZFX-QGZVFWFLSA-N 0 0 327.428 3.739 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(F)c1 ZINC000101738048 1022687452 /nfs/dbraw/zinc/68/74/52/1022687452.db2.gz YUXORPQHYOGJIA-AWEZNQCLSA-N 0 0 349.450 3.539 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Oc1cccc(OCC(F)(F)F)c1 ZINC000588452801 1023028124 /nfs/dbraw/zinc/02/81/24/1023028124.db2.gz VNHDBAIZZYFJOO-FPLPWBNLSA-N 0 0 337.297 3.950 10 0 EHAERN Cc1c(Cl)cc(NC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1Cl ZINC000190064419 1023155454 /nfs/dbraw/zinc/15/54/54/1023155454.db2.gz JLLHIWSYCMCVPY-LERXQTSPSA-N 0 0 329.227 3.991 10 0 EHAERN Cc1ccc(Cl)cc1CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190502719 1023293763 /nfs/dbraw/zinc/29/37/63/1023293763.db2.gz KDJBQEHCMRBVMZ-MRXNPFEDSA-N 0 0 332.835 3.808 10 0 EHAERN C/C(=C/C(=O)N(C)c1nncs1)c1ccccc1C(F)(F)F ZINC000588469535 1023592992 /nfs/dbraw/zinc/59/29/92/1023592992.db2.gz YWVDXSJJPMFEMO-CLFYSBASSA-N 0 0 327.331 3.623 10 0 EHAERN C/C(=C/C(=O)Nc1cccc2c1OCC[C@H]2O)c1ccc(F)cc1 ZINC000588479254 1023881233 /nfs/dbraw/zinc/88/12/33/1023881233.db2.gz ARXXVVHROQQQSG-WFTPILKQSA-N 0 0 327.355 3.684 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000588479257 1023881791 /nfs/dbraw/zinc/88/17/91/1023881791.db2.gz FGCQCTHWTYBLKR-CPFIRTDXSA-N 0 0 327.355 3.684 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C[C@H](C)O1 ZINC000180830837 1023963027 /nfs/dbraw/zinc/96/30/27/1023963027.db2.gz FMSRNXMLGJRNGX-UXLLHSPISA-N 0 0 344.455 3.642 10 0 EHAERN C[C@@H]1CC(c2noc(C3CCC4(CC3)NC(=O)NC4=O)n2)C[C@@H](C)C1 ZINC000329744692 1024174016 /nfs/dbraw/zinc/17/40/16/1024174016.db2.gz XYADRZOPYBQTSA-PFPSSNGNSA-N 0 0 346.431 3.890 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1csc(-c2ccsc2)n1 ZINC000151571037 1024186632 /nfs/dbraw/zinc/18/66/32/1024186632.db2.gz WSCJBEBIXAHINR-YUTCNCBUSA-N 0 0 346.477 3.559 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2cnn(Cc3ccncc3)c2)CC(C)(C)C1 ZINC000183557111 1024274334 /nfs/dbraw/zinc/27/43/34/1024274334.db2.gz MNLQLDGBOLDCHI-GDBMZVCRSA-N 0 0 326.444 3.727 10 0 EHAERN CC(C)n1c(N)nnc1SCc1csc(Br)c1 ZINC000062798163 1024300238 /nfs/dbraw/zinc/30/02/38/1024300238.db2.gz GSKUWTJCBGVWDA-UHFFFAOYSA-N 0 0 333.280 3.558 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000104983616 1024867535 /nfs/dbraw/zinc/86/75/35/1024867535.db2.gz GVMHRTQVPYKPIH-UHFFFAOYSA-N 0 0 340.427 3.527 10 0 EHAERN CC(C)=C(F)C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000152307792 1025602161 /nfs/dbraw/zinc/60/21/61/1025602161.db2.gz JSCSZBRBAQNBGG-CYBMUJFWSA-N 0 0 347.365 3.845 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000588508004 1025623248 /nfs/dbraw/zinc/62/32/48/1025623248.db2.gz QDXLSBKBNNXJLP-QBOMHBFWSA-N 0 0 347.455 3.976 10 0 EHAERN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1csc(-c2ccsc2)n1 ZINC000121766075 1025764895 /nfs/dbraw/zinc/76/48/95/1025764895.db2.gz GURBNDYYZCMGDK-GXTWGEPZSA-N 0 0 334.466 3.559 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2oc3ccc(F)cc3c2C)no1 ZINC000329375472 1025791339 /nfs/dbraw/zinc/79/13/39/1025791339.db2.gz LJXWOCGGQKOXOB-ZDUSSCGKSA-N 0 0 329.331 3.549 10 0 EHAERN O=C(C/C=C\c1cccc(F)c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000588513016 1025848975 /nfs/dbraw/zinc/84/89/75/1025848975.db2.gz LTSPMHOXPHZMFL-RQOWECAXSA-N 0 0 343.320 3.599 10 0 EHAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329443125 1025857195 /nfs/dbraw/zinc/85/71/95/1025857195.db2.gz NIURXDGNMRJSLN-SJLPKXTDSA-N 0 0 342.439 3.570 10 0 EHAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000103206825 1026058240 /nfs/dbraw/zinc/05/82/40/1026058240.db2.gz SHSCUPWZUNKQNF-MOPGFXCFSA-N 0 0 344.499 3.676 10 0 EHAERN CCc1ncsc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000121959616 1026062761 /nfs/dbraw/zinc/06/27/61/1026062761.db2.gz NAUVAODNIRSABO-OCCSQVGLSA-N 0 0 330.453 3.732 10 0 EHAERN CCOc1ccc(CC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103129865 1026064150 /nfs/dbraw/zinc/06/41/50/1026064150.db2.gz PPCOYEHCMQPUQT-UHFFFAOYSA-N 0 0 336.435 3.776 10 0 EHAERN COc1cccc(CCC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103129155 1026064888 /nfs/dbraw/zinc/06/48/88/1026064888.db2.gz WIOITKXKRXUXDE-UHFFFAOYSA-N 0 0 336.435 3.776 10 0 EHAERN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000103504082 1026105751 /nfs/dbraw/zinc/10/57/51/1026105751.db2.gz ITADPUJAWQEYBJ-CQSZACIVSA-N 0 0 345.393 3.876 10 0 EHAERN Cn1nccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000103853025 1026118872 /nfs/dbraw/zinc/11/88/72/1026118872.db2.gz JTLLATWKLCLBEP-QGZVFWFLSA-N 0 0 346.862 3.804 10 0 EHAERN Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000152530233 1026288784 /nfs/dbraw/zinc/28/87/84/1026288784.db2.gz SHRBAWAGVMCRFD-BXUZGUMPSA-N 0 0 333.457 3.648 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@@H](C)c3ccccn3)C2)cc1 ZINC000122415229 1026461085 /nfs/dbraw/zinc/46/10/85/1026461085.db2.gz LTJBXCPPJTVKCW-YQQAZPJKSA-N 0 0 339.439 3.739 10 0 EHAERN Clc1ccc([C@H](NCc2cccnc2Cl)c2ncon2)cc1 ZINC000122533655 1026531240 /nfs/dbraw/zinc/53/12/40/1026531240.db2.gz HRJMGGVCSOEHMQ-ZDUSSCGKSA-N 0 0 335.194 3.651 10 0 EHAERN FC(F)(F)c1cnc(N2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000301182764 1026715041 /nfs/dbraw/zinc/71/50/41/1026715041.db2.gz NUTAZLOZNOORNM-NSHDSACASA-N 0 0 330.741 3.792 10 0 EHAERN COCCC1(C(=O)N2CCC(c3nc(C)cs3)CC2)CCCC1 ZINC000153071717 1027004220 /nfs/dbraw/zinc/00/42/20/1027004220.db2.gz YZPSOZXQGGJYBY-UHFFFAOYSA-N 0 0 336.501 3.754 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cnc(C(C)(C)C)s3)CCO2)o1 ZINC000127082891 1027270960 /nfs/dbraw/zinc/27/09/60/1027270960.db2.gz SDXMGHUBGRLHDB-ZDUSSCGKSA-N 0 0 334.441 3.556 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3ccnc4ccccc34)CCO2)o1 ZINC000127074851 1027272078 /nfs/dbraw/zinc/27/20/78/1027272078.db2.gz YEWMSQRYDHOALZ-JCOOBLOPSA-N 0 0 348.402 3.750 10 0 EHAERN C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccncc1 ZINC000045562354 1027315774 /nfs/dbraw/zinc/31/57/74/1027315774.db2.gz GWHMSKJYNCKOFN-INIZCTEOSA-N 0 0 339.439 3.533 10 0 EHAERN Cn1c(CN2CC=C(c3ccccc3F)CC2)nnc1C1CCC1 ZINC000127620380 1027333490 /nfs/dbraw/zinc/33/34/90/1027333490.db2.gz MRBLZKGHVRZYHX-UHFFFAOYSA-N 0 0 326.419 3.511 10 0 EHAERN CC1(C)CN(C(=O)Nc2ccc3c(n2)CCCC3=O)[C@H]2CCC[C@H]21 ZINC000333628917 1027701511 /nfs/dbraw/zinc/70/15/11/1027701511.db2.gz HJNJLRRAPWQFQX-HIFRSBDPSA-N 0 0 327.428 3.643 10 0 EHAERN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCc2cnccc21 ZINC000131104598 1027738038 /nfs/dbraw/zinc/73/80/38/1027738038.db2.gz MSDLIKACIIDJGZ-UHFFFAOYSA-N 0 0 335.794 4.000 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)sc1Cl ZINC000246151928 1027825660 /nfs/dbraw/zinc/82/56/60/1027825660.db2.gz QJDZTXGBDUBNMN-WHGOUJPWSA-N 0 0 332.252 3.742 10 0 EHAERN Cc1cc(F)ccc1CCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000132660544 1027948607 /nfs/dbraw/zinc/94/86/07/1027948607.db2.gz GQGMGLNBAYXTNS-HNNXBMFYSA-N 0 0 347.459 3.722 10 0 EHAERN CC1(C)CCc2sc(NC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)nc21 ZINC000333581205 1028096190 /nfs/dbraw/zinc/09/61/90/1028096190.db2.gz UFGIPRLHWCZXIJ-XIKOKIGWSA-N 0 0 349.500 3.526 10 0 EHAERN Cc1ccccc1C1(C(=O)N2CCC[C@H](c3nccs3)C2)CC1 ZINC000067048681 1028354978 /nfs/dbraw/zinc/35/49/78/1028354978.db2.gz AJQTXZIZHVTMBH-HNNXBMFYSA-N 0 0 326.465 3.889 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000062130855 1028440545 /nfs/dbraw/zinc/44/05/45/1028440545.db2.gz OTWBSMWMAHMTSM-UHFFFAOYSA-N 0 0 331.847 3.706 10 0 EHAERN CCc1nc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000246413090 1028479615 /nfs/dbraw/zinc/47/96/15/1028479615.db2.gz BITCECIYECVOAK-UONOGXRCSA-N 0 0 335.473 3.562 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCCC3(C)C)CC2)n1 ZINC000194327143 1028507936 /nfs/dbraw/zinc/50/79/36/1028507936.db2.gz OPKGTHWYWQKPOJ-KRWDZBQOSA-N 0 0 329.488 3.691 10 0 EHAERN COc1c(Cl)cc(Cl)cc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000246442575 1028512705 /nfs/dbraw/zinc/51/27/05/1028512705.db2.gz NJGIAHYDFVIWGR-ZIAGYGMSSA-N 0 0 348.295 3.708 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000194682479 1028532982 /nfs/dbraw/zinc/53/29/82/1028532982.db2.gz ZZJBFIFGDLPQHD-GWCFXTLKSA-N 0 0 331.803 3.730 10 0 EHAERN CC(C)N(C)c1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247923443 1028592065 /nfs/dbraw/zinc/59/20/65/1028592065.db2.gz BJZGGNPHIIJMRH-OXJNMPFZSA-N 0 0 345.487 3.690 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3C(C)C)CC2)nc1 ZINC000074435518 1028613850 /nfs/dbraw/zinc/61/38/50/1028613850.db2.gz WGQMKELGBZBMBI-GOSISDBHSA-N 0 0 344.503 3.579 10 0 EHAERN Cc1c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cccc1-c1ccccn1 ZINC000246505762 1028639525 /nfs/dbraw/zinc/63/95/25/1028639525.db2.gz KHPYRXXPWDBIDW-DFQSSKMNSA-N 0 0 348.446 3.744 10 0 EHAERN O=C(NCCc1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000075497031 1028684769 /nfs/dbraw/zinc/68/47/69/1028684769.db2.gz ZTEUESXSZXRENB-UHFFFAOYSA-N 0 0 341.430 3.654 10 0 EHAERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C[C@H]2CSCCS2)C1 ZINC000246953314 1028718493 /nfs/dbraw/zinc/71/84/93/1028718493.db2.gz ZURKVWFSFPFDBM-WWGRRREGSA-N 0 0 339.501 3.974 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CCO2)o1 ZINC000247065061 1028738437 /nfs/dbraw/zinc/73/84/37/1028738437.db2.gz VPFMLGDFUJRIAF-IGCXYCKISA-N 0 0 347.361 3.570 10 0 EHAERN CCOCc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000247081496 1028743195 /nfs/dbraw/zinc/74/31/95/1028743195.db2.gz VYLKNXCRFKKWAN-RCCFBDPRSA-N 0 0 344.455 3.692 10 0 EHAERN CCCCc1nc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246933485 1028747482 /nfs/dbraw/zinc/74/74/82/1028747482.db2.gz TWULYVZWBWFPQN-IAGOWNOFSA-N 0 0 347.434 3.639 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(F)cc(C(F)(F)F)c1 ZINC000247628062 1028805220 /nfs/dbraw/zinc/80/52/20/1028805220.db2.gz UMUCKFIWPFPOFW-MJBXVCDLSA-N 0 0 331.309 3.532 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000247631972 1028806317 /nfs/dbraw/zinc/80/63/17/1028806317.db2.gz UVQOFAUCLKCKQT-ZMSDIMECSA-N 0 0 348.443 3.562 10 0 EHAERN C[C@@H]1CCN(Cc2cc(-c3cccs3)on2)C[C@H]1n1ccnc1 ZINC000245568296 1028857088 /nfs/dbraw/zinc/85/70/88/1028857088.db2.gz FXGIGABWXZTKQH-UKRRQHHQSA-N 0 0 328.441 3.683 10 0 EHAERN COc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c(C)c1 ZINC000153883958 1028864202 /nfs/dbraw/zinc/86/42/02/1028864202.db2.gz FPHHZIHFHYYGKL-KRWDZBQOSA-N 0 0 330.384 3.510 10 0 EHAERN C[C@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@@H](c2ccsc2)O1 ZINC000248388456 1028878559 /nfs/dbraw/zinc/87/85/59/1028878559.db2.gz RBMCYGIMBYJTQB-LRDDRELGSA-N 0 0 344.484 3.514 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000248607690 1028926397 /nfs/dbraw/zinc/92/63/97/1028926397.db2.gz DJLOHXBFSWNGIY-IZDJOXEWSA-N 0 0 333.387 3.658 10 0 EHAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000248880515 1028960573 /nfs/dbraw/zinc/96/05/73/1028960573.db2.gz FDBCUPLWDJLFQA-XJKCOSOUSA-N 0 0 335.394 3.676 10 0 EHAERN Brc1ccc([C@H]2CN(C[C@H]3CCC=CO3)CCO2)cc1 ZINC000249044054 1028979556 /nfs/dbraw/zinc/97/95/56/1028979556.db2.gz VMXXEVOXNGXYOL-HZPDHXFCSA-N 0 0 338.245 3.515 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000249093999 1028984304 /nfs/dbraw/zinc/98/43/04/1028984304.db2.gz FBYZKARFPYATMJ-RBSFLKMASA-N 0 0 336.382 3.877 10 0 EHAERN Cc1nc(C(C)(C)NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)sc1C ZINC000076476020 1028990130 /nfs/dbraw/zinc/99/01/30/1028990130.db2.gz LQYLBWSKBBDISR-ZUZCIYMTSA-N 0 0 330.453 3.676 10 0 EHAERN COc1cccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1OC ZINC000245743632 1029225209 /nfs/dbraw/zinc/22/52/09/1029225209.db2.gz MIKICXDVLAMBCX-DYVFJYSZSA-N 0 0 333.453 3.727 10 0 EHAERN COCCOc1ccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000245759760 1029255908 /nfs/dbraw/zinc/25/59/08/1029255908.db2.gz PJYVJQUBWASUAW-BEFAXECRSA-N 0 0 347.480 3.735 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000245955866 1029516660 /nfs/dbraw/zinc/51/66/60/1029516660.db2.gz QOOXEDXRKCMYDI-FWYOQMDTSA-N 0 0 333.428 3.537 10 0 EHAERN O=C(c1ccncc1Br)N1CC=C(c2cccs2)CC1 ZINC000155396523 1029524582 /nfs/dbraw/zinc/52/45/82/1029524582.db2.gz ABOFHSDQPLDYQN-UHFFFAOYSA-N 0 0 349.253 3.835 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000155458064 1029542819 /nfs/dbraw/zinc/54/28/19/1029542819.db2.gz CGIFJTXGSBRCLM-WBMJQRKESA-N 0 0 344.480 3.664 10 0 EHAERN O=C(/C=C/c1cccc(F)c1)NC1CCN(c2cccs2)CC1 ZINC000155940231 1029702731 /nfs/dbraw/zinc/70/27/31/1029702731.db2.gz YRXCGQJXQNJTEQ-VOTSOKGWSA-N 0 0 330.428 3.686 10 0 EHAERN Cc1csc(C2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000156658407 1029920924 /nfs/dbraw/zinc/92/09/24/1029920924.db2.gz DCOKVATVBHRHSV-INIZCTEOSA-N 0 0 338.423 3.643 10 0 EHAERN C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1ncccc1Cl ZINC000156802075 1030047278 /nfs/dbraw/zinc/04/72/78/1030047278.db2.gz UFQHRLIXIYXQBY-LLVKDONJSA-N 0 0 348.811 3.925 10 0 EHAERN CCOc1ccc([C@@H]2CCCN2C(=O)C[C@H](O)c2ccccc2)cc1 ZINC000091031042 1030211421 /nfs/dbraw/zinc/21/14/21/1030211421.db2.gz HEAMHDLXZTVDIH-PMACEKPBSA-N 0 0 339.435 3.873 10 0 EHAERN C[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)C(C)(C)C ZINC000091701723 1030287619 /nfs/dbraw/zinc/28/76/19/1030287619.db2.gz WNHLLTXACYFIRE-AWEZNQCLSA-N 0 0 336.451 3.951 10 0 EHAERN CC(=O)c1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000170891414 1030713293 /nfs/dbraw/zinc/71/32/93/1030713293.db2.gz NZCNUKAEKBMKMY-AWEZNQCLSA-N 0 0 329.425 3.757 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000171308734 1030752680 /nfs/dbraw/zinc/75/26/80/1030752680.db2.gz WTRKQZWXLWOULW-UHFFFAOYSA-N 0 0 349.325 3.518 10 0 EHAERN COc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171645825 1030771169 /nfs/dbraw/zinc/77/11/69/1030771169.db2.gz LJLJWRDLUHMYQP-XVJNWHFHSA-N 0 0 328.437 3.571 10 0 EHAERN C[C@]1(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1(Cl)Cl ZINC000171463097 1030783570 /nfs/dbraw/zinc/78/35/70/1030783570.db2.gz SWEFFQRJIOKKMV-GZBFAFLISA-N 0 0 328.239 3.607 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000172049112 1030867686 /nfs/dbraw/zinc/86/76/86/1030867686.db2.gz PPKUQNGJYDFLQF-UHFFFAOYSA-N 0 0 344.846 3.834 10 0 EHAERN C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000172348133 1030868994 /nfs/dbraw/zinc/86/89/94/1030868994.db2.gz BRLAGLCVXBSTQA-HIFRSBDPSA-N 0 0 332.444 3.867 10 0 EHAERN O=C(NCc1ccc(Cl)nc1)N1CC=C(c2cccs2)CC1 ZINC000172224038 1030874144 /nfs/dbraw/zinc/87/41/44/1030874144.db2.gz NZXMUJBRLWNCAT-UHFFFAOYSA-N 0 0 333.844 3.795 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3C3CCCCC3)CC2)nc1 ZINC000157808178 1030877303 /nfs/dbraw/zinc/87/73/03/1030877303.db2.gz DLCSEAHZYJEQPU-OALUTQOASA-N 0 0 341.499 3.691 10 0 EHAERN CCc1sc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1C ZINC000157870665 1030923519 /nfs/dbraw/zinc/92/35/19/1030923519.db2.gz COGKLHWPJPEPAW-UHFFFAOYSA-N 0 0 343.496 3.721 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)cc1OC(F)F ZINC000172725027 1030985408 /nfs/dbraw/zinc/98/54/08/1030985408.db2.gz CZURTVOUSQTQKR-PSLIRLAXSA-N 0 0 337.297 3.930 10 0 EHAERN CCn1nc(C)c(C(=O)N2CC=C(c3cccs3)CC2)c1Cl ZINC000173064481 1031020652 /nfs/dbraw/zinc/02/06/52/1031020652.db2.gz WFGAAICFBSFPDO-UHFFFAOYSA-N 0 0 335.860 3.856 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1SCCc2ccccc21 ZINC000172975789 1031039671 /nfs/dbraw/zinc/03/96/71/1031039671.db2.gz MDNOHKRKOCZWQV-INIZCTEOSA-N 0 0 337.404 3.706 10 0 EHAERN O=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1COc2ccccc21 ZINC000158194179 1031163528 /nfs/dbraw/zinc/16/35/28/1031163528.db2.gz YBFIQVXOGPTNDM-IBGZPJMESA-N 0 0 345.402 3.682 10 0 EHAERN CCOc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174090529 1031163640 /nfs/dbraw/zinc/16/36/40/1031163640.db2.gz ZTLQBCHQIBCPTK-UHFFFAOYSA-N 0 0 342.414 3.941 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C[C@H](C)c3ccccc3)CC2)n1 ZINC000116671335 1031265724 /nfs/dbraw/zinc/26/57/24/1031265724.db2.gz VDXUNRPHPJFVPW-INIZCTEOSA-N 0 0 337.467 3.669 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(F)c(C)c3)CC2)nc1 ZINC000176122389 1031413538 /nfs/dbraw/zinc/41/35/38/1031413538.db2.gz AOTMAIRSJAETRK-UHFFFAOYSA-N 0 0 342.418 3.628 10 0 EHAERN CC(C)(C)c1cc(NC(=O)c2ncncc2Cl)n(C(C)(C)C)n1 ZINC000176113574 1031413710 /nfs/dbraw/zinc/41/37/10/1031413710.db2.gz GPUIQOBXIQDDDW-UHFFFAOYSA-N 0 0 335.839 3.631 10 0 EHAERN CC(C)C[C@@H](C)OCCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000176317665 1031426541 /nfs/dbraw/zinc/42/65/41/1031426541.db2.gz QWAXTDXWRRMACR-QGZVFWFLSA-N 0 0 332.488 3.704 10 0 EHAERN CC[S@@](=O)c1ccccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000176391895 1031431634 /nfs/dbraw/zinc/43/16/34/1031431634.db2.gz UWFSEYXPQOZPPG-XMMPIXPASA-N 0 0 339.460 3.744 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3ccccc3F)C2)c1 ZINC000177261010 1031528714 /nfs/dbraw/zinc/52/87/14/1031528714.db2.gz MNBWKUZPBOHNEB-CYBMUJFWSA-N 0 0 344.386 3.864 10 0 EHAERN CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177433803 1031538934 /nfs/dbraw/zinc/53/89/34/1031538934.db2.gz ZMKZKMPNFLHWCU-INIZCTEOSA-N 0 0 329.400 3.803 10 0 EHAERN CCc1ccc(CNC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000177463689 1031542364 /nfs/dbraw/zinc/54/23/64/1031542364.db2.gz RLTOSVZQQOJCRK-MRXNPFEDSA-N 0 0 342.443 3.802 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2sc(C)nc2C)c2ccccc2)[nH]1 ZINC000178546690 1031677282 /nfs/dbraw/zinc/67/72/82/1031677282.db2.gz TVINHKVJMDKCHM-ABAIWWIYSA-N 0 0 327.457 3.627 10 0 EHAERN O=C(/C=C/c1ccc(Cl)nc1)N1CCC(Cc2ccccn2)CC1 ZINC000179354564 1031739793 /nfs/dbraw/zinc/73/97/93/1031739793.db2.gz LGJHYIRCQNUAQS-FNORWQNLSA-N 0 0 341.842 3.625 10 0 EHAERN O=C(c1cc(C2CCCCC2)n[nH]1)N1CCC[C@@H](c2nccs2)C1 ZINC000179320844 1031766161 /nfs/dbraw/zinc/76/61/61/1031766161.db2.gz JGQSDMWNEVVWIE-CQSZACIVSA-N 0 0 344.484 3.934 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000117603061 1031778556 /nfs/dbraw/zinc/77/85/56/1031778556.db2.gz SJJFVORIMUNRNL-DJJJIMSYSA-N 0 0 347.374 3.772 10 0 EHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@@H]1CCSC1 ZINC000179607950 1031792272 /nfs/dbraw/zinc/79/22/72/1031792272.db2.gz NOOAHJIJAZEDIO-OAHLLOKOSA-N 0 0 328.485 3.897 10 0 EHAERN CC[C@]1(c2ccc(N[C@@H](C)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000179608502 1031794352 /nfs/dbraw/zinc/79/43/52/1031794352.db2.gz APSASKTVPFZHCI-YCRPNKLZSA-N 0 0 336.435 3.944 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc([S@@](C)=O)cc1 ZINC000179809355 1031810121 /nfs/dbraw/zinc/81/01/21/1031810121.db2.gz PNQPGBSZPDTDGQ-YEBMWUKDSA-N 0 0 342.464 3.872 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000117758406 1031850030 /nfs/dbraw/zinc/85/00/30/1031850030.db2.gz ZCEOWNURMNNVMQ-SGTLLEGYSA-N 0 0 337.375 3.505 10 0 EHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(Br)c(C)c1 ZINC000180934075 1031925002 /nfs/dbraw/zinc/92/50/02/1031925002.db2.gz FHSYFQMPYJDFOY-NHYWBVRUSA-N 0 0 349.276 3.843 10 0 EHAERN CC(=CC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccccc1Cl ZINC000181391996 1031982530 /nfs/dbraw/zinc/98/25/30/1031982530.db2.gz OEMAMSGYNYOYHF-PABFRNLHSA-N 0 0 330.819 3.615 10 0 EHAERN COCc1ccccc1CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000117958089 1031985960 /nfs/dbraw/zinc/98/59/60/1031985960.db2.gz VFHDUPJOKLUIDJ-UHFFFAOYSA-N 0 0 342.464 3.893 10 0 EHAERN CCc1oc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1C ZINC000181188850 1031991019 /nfs/dbraw/zinc/99/10/19/1031991019.db2.gz XEPZJEUFCOAERT-UHFFFAOYSA-N 0 0 328.412 3.537 10 0 EHAERN Cc1cc(C)c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c(Cl)n1 ZINC000181761851 1032031995 /nfs/dbraw/zinc/03/19/95/1032031995.db2.gz LWSNWCRVNPEABF-UHFFFAOYSA-N 0 0 326.787 3.994 10 0 EHAERN O=C(CCc1nnc(C2CCCC2)o1)NC1C2CC3CC(C2)CC1C3 ZINC000159356330 1033863966 /nfs/dbraw/zinc/86/39/66/1033863966.db2.gz ZFIRAAGVBZIMJA-UHFFFAOYSA-N 0 0 343.471 3.601 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ncc(C)s3)C2)cc1 ZINC000120816691 1034175181 /nfs/dbraw/zinc/17/51/81/1034175181.db2.gz NGVAYTAMPWXRKG-SMDDNHRTSA-N 0 0 331.441 3.870 10 0 EHAERN CNc1snc(C)c1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000121223213 1034569455 /nfs/dbraw/zinc/56/94/55/1034569455.db2.gz TUSQHGNEDXKFIY-SMDDNHRTSA-N 0 0 345.468 3.520 10 0 EHAERN CCSCCSCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000185614942 1035502602 /nfs/dbraw/zinc/50/26/02/1035502602.db2.gz FZMQROHDZYLFAO-MRXNPFEDSA-N 0 0 339.526 3.845 10 0 EHAERN O=C(c1ccc2c(c1O)CCCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000185815473 1035515625 /nfs/dbraw/zinc/51/56/25/1035515625.db2.gz HJCKZLCQYPLSIF-CQSZACIVSA-N 0 0 342.464 3.747 10 0 EHAERN CCSCc1cc(C(=O)N2CC=C(c3cccs3)CC2)no1 ZINC000185935914 1035543404 /nfs/dbraw/zinc/54/34/04/1035543404.db2.gz JVJQZCXAORXIAV-UHFFFAOYSA-N 0 0 334.466 3.919 10 0 EHAERN O=C(Cc1[nH]nc2ccccc21)N1CC=C(c2ccccc2F)CC1 ZINC000185942711 1035544653 /nfs/dbraw/zinc/54/46/53/1035544653.db2.gz UWGKQFQTXXDRBO-UHFFFAOYSA-N 0 0 335.382 3.560 10 0 EHAERN CCC(CC)c1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)on1 ZINC000185894889 1035557680 /nfs/dbraw/zinc/55/76/80/1035557680.db2.gz ZNNDOQIMTZHWDH-UHFFFAOYSA-N 0 0 342.439 3.702 10 0 EHAERN CN1Cc2cc(NC(=O)NC3CCCCCCC3)ccc2NC1=O ZINC000186652587 1035678386 /nfs/dbraw/zinc/67/83/86/1035678386.db2.gz ZMTKSHVSFFQBFA-UHFFFAOYSA-N 0 0 330.432 3.898 10 0 EHAERN CC(C)(C)N(Cc1cccnc1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000187495053 1035831401 /nfs/dbraw/zinc/83/14/01/1035831401.db2.gz KQVVCDXLJGLGNX-IBGZPJMESA-N 0 0 338.451 3.913 10 0 EHAERN O=C(c1cccnc1C(F)(F)F)N1CCC(Cc2ccccn2)CC1 ZINC000188379316 1035918413 /nfs/dbraw/zinc/91/84/13/1035918413.db2.gz IZZXUMLGYTWBPW-UHFFFAOYSA-N 0 0 349.356 3.590 10 0 EHAERN Cc1cc(NC(=O)[C@H](C)SC[C@@H]2CCC3(CCCCC3)O2)on1 ZINC000188768265 1035980321 /nfs/dbraw/zinc/98/03/21/1035980321.db2.gz MDWIBIJGCRJAJG-KBPBESRZSA-N 0 0 338.473 3.925 10 0 EHAERN CCc1nc([C@@H](C)NC(=O)N[C@@H]2CCCc3c(O)cccc32)cs1 ZINC000188839475 1035990886 /nfs/dbraw/zinc/99/08/86/1035990886.db2.gz YCMSTOCSFWSQMH-BXUZGUMPSA-N 0 0 345.468 3.849 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccsc2Cl)CC1 ZINC000189337821 1036059874 /nfs/dbraw/zinc/05/98/74/1036059874.db2.gz QYLSVGCIHIWEKA-UHFFFAOYSA-N 0 0 338.864 3.622 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccsc1Cl)C2 ZINC000189347254 1036060290 /nfs/dbraw/zinc/06/02/90/1036060290.db2.gz FMDPHWSOIHIMCC-UHFFFAOYSA-N 0 0 349.843 3.950 10 0 EHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCCC[C@H]1c1ncon1 ZINC000189568925 1036089706 /nfs/dbraw/zinc/08/97/06/1036089706.db2.gz XQHYOUXCHJSPDD-DVQDXYAYSA-N 0 0 348.406 3.775 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000189711298 1036111941 /nfs/dbraw/zinc/11/19/41/1036111941.db2.gz YPTZYWJXVGKAJL-GOSISDBHSA-N 0 0 337.427 3.969 10 0 EHAERN O=C(Cc1cc(F)ccc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189798671 1036129083 /nfs/dbraw/zinc/12/90/83/1036129083.db2.gz DOJJNNQAAVYPHC-UHFFFAOYSA-N 0 0 343.373 3.602 10 0 EHAERN O=C(c1ccc2ncccc2c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189808868 1036150899 /nfs/dbraw/zinc/15/08/99/1036150899.db2.gz CGDRSROMBAQACZ-UHFFFAOYSA-N 0 0 344.414 3.943 10 0 EHAERN CCC[C@@H]1C[C@@H](C(=O)N2CC3(CCOCC3)c3ccccc32)CCO1 ZINC000189832931 1036154033 /nfs/dbraw/zinc/15/40/33/1036154033.db2.gz MWRAGKYBPWANPZ-DLBZAZTESA-N 0 0 343.467 3.677 10 0 EHAERN C[C@H](Oc1ccccc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189843918 1036156794 /nfs/dbraw/zinc/15/67/94/1036156794.db2.gz UNPZUPSFOSOWIU-INIZCTEOSA-N 0 0 337.419 3.549 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccn(C2CCCC2)n1 ZINC000189942119 1036164450 /nfs/dbraw/zinc/16/44/50/1036164450.db2.gz MUFHPXDQNCMMNR-INIZCTEOSA-N 0 0 325.412 3.560 10 0 EHAERN CCCCN(C)c1ccc(NC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000190149146 1036196532 /nfs/dbraw/zinc/19/65/32/1036196532.db2.gz ALKHVEHAHZPFRP-KZNAEPCWSA-N 0 0 331.460 3.612 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSCC[C@@H]2CCCO2)cc1 ZINC000190140778 1036197888 /nfs/dbraw/zinc/19/78/88/1036197888.db2.gz LVRKFSSLRNLVDQ-ZWKOTPCHSA-N 0 0 349.496 3.661 10 0 EHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)cc(C)c1F ZINC000190367808 1036228741 /nfs/dbraw/zinc/22/87/41/1036228741.db2.gz KGUOZBNTYRYNME-UHFFFAOYSA-N 0 0 333.432 3.616 10 0 EHAERN C[C@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(F)c1 ZINC000190370633 1036229525 /nfs/dbraw/zinc/22/95/25/1036229525.db2.gz FIHRMLJNGOIXPO-CYBMUJFWSA-N 0 0 347.459 3.879 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCc2cccc3c2OCO3)n1 ZINC000190372949 1036231249 /nfs/dbraw/zinc/23/12/49/1036231249.db2.gz UQSLYBXTWAOCPQ-GUYCJALGSA-N 0 0 344.411 3.502 10 0 EHAERN CC(C)(C(=O)N1CCC(Nc2nccs2)CC1)c1cccc(F)c1 ZINC000190412411 1036236963 /nfs/dbraw/zinc/23/69/63/1036236963.db2.gz HQSRERAQVVMCKJ-UHFFFAOYSA-N 0 0 347.459 3.663 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000190616104 1036267385 /nfs/dbraw/zinc/26/73/85/1036267385.db2.gz NDEFQSPCLDSZHO-HNNXBMFYSA-N 0 0 344.480 3.932 10 0 EHAERN C[C@H](NC(=O)N[C@H]1c2ccccc2CCC1(C)C)[C@@H]1CCCOC1 ZINC000332856318 1036320237 /nfs/dbraw/zinc/32/02/37/1036320237.db2.gz XSHCGRAJHVNNCG-LESCRADOSA-N 0 0 330.472 3.814 10 0 EHAERN Cc1cnccc1CNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191483404 1036390810 /nfs/dbraw/zinc/39/08/10/1036390810.db2.gz PHHHXFRWOGTVAW-HNNXBMFYSA-N 0 0 345.393 3.757 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000191798639 1036429253 /nfs/dbraw/zinc/42/92/53/1036429253.db2.gz RQDPGDAUZFZEOI-MLCYQJTMSA-N 0 0 341.794 3.972 10 0 EHAERN Cc1nnc(CN2CCC[C@H](c3cc(F)ccc3F)C2)n1C1CC1 ZINC000191682807 1036434273 /nfs/dbraw/zinc/43/42/73/1036434273.db2.gz HZXSHLIPYBMUSV-ZDUSSCGKSA-N 0 0 332.398 3.579 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc4sccc4[nH]3)CC2)nc1 ZINC000192201727 1036504130 /nfs/dbraw/zinc/50/41/30/1036504130.db2.gz LFYJKRZRTMBEAG-UHFFFAOYSA-N 0 0 341.436 3.616 10 0 EHAERN CC[C@@](C)(NC(=O)[C@@H]1CCCc2cccnc21)c1nc(C)cs1 ZINC000192623174 1036517948 /nfs/dbraw/zinc/51/79/48/1036517948.db2.gz SIWLPECQEPOCHR-RDTXWAMCSA-N 0 0 329.469 3.708 10 0 EHAERN Cc1ccn(-c2ccccc2NC(=O)[C@H]2CCCc3cccnc32)n1 ZINC000192755397 1036549602 /nfs/dbraw/zinc/54/96/02/1036549602.db2.gz JWOYCURCYJICMG-INIZCTEOSA-N 0 0 332.407 3.634 10 0 EHAERN CCC(CC)CN(CC)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193252386 1036584618 /nfs/dbraw/zinc/58/46/18/1036584618.db2.gz LBCKVQOYGOXKRD-MRXNPFEDSA-N 0 0 331.460 3.580 10 0 EHAERN CC[C@@H](CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000103522566 1036917360 /nfs/dbraw/zinc/91/73/60/1036917360.db2.gz SPDXYYWITNUHDL-JXFKEZNVSA-N 0 0 348.450 3.903 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cccc(OC(F)F)c1 ZINC000104456065 1037042668 /nfs/dbraw/zinc/04/26/68/1037042668.db2.gz JRSZXMXWQSPBJQ-UHFFFAOYSA-N 0 0 335.350 3.611 10 0 EHAERN CCC(C)(C)NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000105658736 1037233098 /nfs/dbraw/zinc/23/30/98/1037233098.db2.gz HRQFOSRCMVHNIK-DEOSSOPVSA-N 0 0 343.492 3.830 10 0 EHAERN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1nccs1 ZINC000105996637 1037292001 /nfs/dbraw/zinc/29/20/01/1037292001.db2.gz LWXNVAZIESFZCS-LLVKDONJSA-N 0 0 345.399 3.747 10 0 EHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3C3CCC3)cc2)n1 ZINC000102875606 1037584913 /nfs/dbraw/zinc/58/49/13/1037584913.db2.gz UYMLFWHSPPEZGX-FQEVSTJZSA-N 0 0 337.467 3.953 10 0 EHAERN CC[C@@H](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(C)C ZINC000104213126 1037596270 /nfs/dbraw/zinc/59/62/70/1037596270.db2.gz CZWIOCOQOWLDDY-KRWDZBQOSA-N 0 0 336.520 3.700 10 0 EHAERN O=C1NCCCC[C@H]1SCc1ccc(OCC(F)(F)F)cc1 ZINC000105632992 1037601565 /nfs/dbraw/zinc/60/15/65/1037601565.db2.gz AFOBFSSKIKRXQX-CYBMUJFWSA-N 0 0 333.375 3.530 10 0 EHAERN Cc1nc(C)c(CCNC(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000108445812 1037646341 /nfs/dbraw/zinc/64/63/41/1037646341.db2.gz ASXYXBAIYMZWCF-UHFFFAOYSA-N 0 0 341.480 3.801 10 0 EHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1csc([C@@H]2CCCO2)n1 ZINC000179251239 1037729771 /nfs/dbraw/zinc/72/97/71/1037729771.db2.gz FFQLYNHTCYWNSO-ZNJNVTAHSA-N 0 0 332.469 3.549 10 0 EHAERN O=C1C[C@@H](c2nc(-c3ccccc3Cl)no2)c2ccccc2N1 ZINC000113733115 1037791038 /nfs/dbraw/zinc/79/10/38/1037791038.db2.gz MAGGZCPPNKAMFK-GFCCVEGCSA-N 0 0 325.755 3.864 10 0 EHAERN CC(C)Oc1ncccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114809989 1037810219 /nfs/dbraw/zinc/81/02/19/1037810219.db2.gz ONUUGZHWUQZPMN-CYBMUJFWSA-N 0 0 346.456 3.737 10 0 EHAERN O=C(NCc1cc(F)ccc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000114829823 1037810864 /nfs/dbraw/zinc/81/08/64/1037810864.db2.gz TXCKPTXFRYTUJL-LLVKDONJSA-N 0 0 337.395 3.511 10 0 EHAERN CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117601290 1037855348 /nfs/dbraw/zinc/85/53/48/1037855348.db2.gz JNWABBPLFUVPPI-SCLBCKFNSA-N 0 0 338.407 3.784 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1Br ZINC000117560607 1037855692 /nfs/dbraw/zinc/85/56/92/1037855692.db2.gz ATIUEDSRXXQIED-ZUZCIYMTSA-N 0 0 332.197 3.952 10 0 EHAERN Clc1ccc(-c2cnc(CSc3ncnc4[nH]cnc43)o2)cc1 ZINC000118178813 1037870130 /nfs/dbraw/zinc/87/01/30/1037870130.db2.gz WPNVPJIRUMHBMY-UHFFFAOYSA-N 0 0 343.799 3.954 10 0 EHAERN Cc1cc(C)n2ncc(-c3noc([C@H]4Oc5ccccc5[C@@H]4C)n3)c2n1 ZINC000118166309 1037870882 /nfs/dbraw/zinc/87/08/82/1037870882.db2.gz YBICZZIIJJPSPI-LRDDRELGSA-N 0 0 347.378 3.633 10 0 EHAERN Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)[C@@H](C)CC(C)C)CCC2 ZINC000118433456 1037871774 /nfs/dbraw/zinc/87/17/74/1037871774.db2.gz LCTXHFWKZXUVOT-SMDDNHRTSA-N 0 0 330.519 3.525 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1)CCC2 ZINC000332718479 1037950025 /nfs/dbraw/zinc/95/00/25/1037950025.db2.gz VDRSDYVGEJNHEM-GOEBONIOSA-N 0 0 344.434 3.577 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@]3(CC=CCC3)C1)CCC2 ZINC000332716576 1037951262 /nfs/dbraw/zinc/95/12/62/1037951262.db2.gz RUJYPHPBLIOORC-XLIONFOSSA-N 0 0 342.487 3.601 10 0 EHAERN Clc1ccc(-c2cnc(CN3CCCC[C@H]3c3nc[nH]n3)o2)cc1 ZINC000121768056 1037972128 /nfs/dbraw/zinc/97/21/28/1037972128.db2.gz XGYRQMXFWKBZBP-AWEZNQCLSA-N 0 0 343.818 3.840 10 0 EHAERN CC(C)=C(F)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000123753062 1038069111 /nfs/dbraw/zinc/06/91/11/1038069111.db2.gz KEQXQVMOVPYFGZ-UHFFFAOYSA-N 0 0 343.320 3.789 10 0 EHAERN CO[C@H]1CCC[C@@H]1OC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000125057696 1038272952 /nfs/dbraw/zinc/27/29/52/1038272952.db2.gz MVQAJZLJGPOKFW-HOTGVXAUSA-N 0 0 346.814 3.830 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(F)nc3)C2)cc1 ZINC000125351873 1038315887 /nfs/dbraw/zinc/31/58/87/1038315887.db2.gz IMVHKIAGSYDDIE-GXTWGEPZSA-N 0 0 329.375 3.639 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1Cl ZINC000247109217 1038600405 /nfs/dbraw/zinc/60/04/05/1038600405.db2.gz SXNSTDPYISGLHS-DEYYWGMASA-N 0 0 336.863 3.738 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2c1 ZINC000151083374 1039724754 /nfs/dbraw/zinc/72/47/54/1039724754.db2.gz VKLQFFWYDYOEKS-UWJYYQICSA-N 0 0 338.451 3.619 10 0 EHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CCCCC(C)(C)C3)cn2)n1 ZINC000408416540 1039745829 /nfs/dbraw/zinc/74/58/29/1039745829.db2.gz PSQPDDDUCLFBTP-UHFFFAOYSA-N 0 0 341.459 3.928 10 0 EHAERN CC(C)(C)CS(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000408428889 1040003085 /nfs/dbraw/zinc/00/30/85/1040003085.db2.gz HBLWVFPYKYRVRQ-HNNXBMFYSA-N 0 0 337.485 3.789 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1F ZINC000151347485 1040044017 /nfs/dbraw/zinc/04/40/17/1040044017.db2.gz NWXWUEZHOFTPHY-GOEBONIOSA-N 0 0 334.435 3.986 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)c1cccs1 ZINC000171350255 1040125744 /nfs/dbraw/zinc/12/57/44/1040125744.db2.gz RLXAEFVCVIBUMT-ZIAGYGMSSA-N 0 0 348.472 3.555 10 0 EHAERN C[C@@]1(NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO[C@@H]1C1CC1 ZINC000332856724 1040152656 /nfs/dbraw/zinc/15/26/56/1040152656.db2.gz IPRSRQTUMFHOAO-WIOJKLDJSA-N 0 0 348.874 3.843 10 0 EHAERN Cc1nc([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cs1 ZINC000332871170 1040167042 /nfs/dbraw/zinc/16/70/42/1040167042.db2.gz NJSPSDYJCKSGRH-NUTKFTJISA-N 0 0 345.468 3.732 10 0 EHAERN C[C@H](NC(=O)N[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(F)c(Cl)c1 ZINC000332875051 1040169745 /nfs/dbraw/zinc/16/97/45/1040169745.db2.gz RFTCYVNBXHWWPM-QXKQMHMISA-N 0 0 340.826 3.797 10 0 EHAERN Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000332917728 1040194385 /nfs/dbraw/zinc/19/43/85/1040194385.db2.gz ZJNIFZWRWOVDMG-RCJHGTSTSA-N 0 0 330.472 3.875 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2nccs2)cs1 ZINC000332933960 1040208668 /nfs/dbraw/zinc/20/86/68/1040208668.db2.gz BZFVJMFIHOCIGE-ZWNOBZJWSA-N 0 0 336.486 3.906 10 0 EHAERN O=C(NCc1csc2ccccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332959954 1040382119 /nfs/dbraw/zinc/38/21/19/1040382119.db2.gz JFSSSANBAAOLSO-BEFAXECRSA-N 0 0 344.480 3.738 10 0 EHAERN C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000157047871 1040389784 /nfs/dbraw/zinc/38/97/84/1040389784.db2.gz VYVQBSRLWINPGD-GXTWGEPZSA-N 0 0 345.472 3.722 10 0 EHAERN CC1(C)CCCCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)C1 ZINC000408445824 1040880616 /nfs/dbraw/zinc/88/06/16/1040880616.db2.gz CEALXUVMPDVRPB-UHFFFAOYSA-N 0 0 327.428 3.662 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@H]2c3ccccc3CCC2(C)C)CCO1 ZINC000120770660 1041159321 /nfs/dbraw/zinc/15/93/21/1041159321.db2.gz ZADVUMNXAAJVEU-WBVHZDCISA-N 0 0 330.472 3.957 10 0 EHAERN O=C1NC2(CCCCCC2)C(=O)N1[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000333125223 1041331046 /nfs/dbraw/zinc/33/10/46/1041331046.db2.gz AFMOSJBAOWYUSN-ZIAGYGMSSA-N 0 0 348.468 3.613 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408151478 1041870736 /nfs/dbraw/zinc/87/07/36/1041870736.db2.gz QODKEULDRLXASI-JKSUJKDBSA-N 0 0 346.814 3.779 10 0 EHAERN COc1ccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c(F)c1 ZINC000162481106 1042729077 /nfs/dbraw/zinc/72/90/77/1042729077.db2.gz IUAPVHVRZXGSGX-KPZWWZAWSA-N 0 0 340.402 3.701 10 0 EHAERN C[C@@H](CC(=O)N1CCC(Cc2nccn2C)CC1)C1CCCCC1 ZINC000162495509 1042734658 /nfs/dbraw/zinc/73/46/58/1042734658.db2.gz OFJNOPQSFUJAER-INIZCTEOSA-N 0 0 331.504 3.808 10 0 EHAERN Cc1cccc(C)c1[C@H](C)NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000408224725 1042757958 /nfs/dbraw/zinc/75/79/58/1042757958.db2.gz XGTAOBBDJAZCHI-BXWFABGCSA-N 0 0 348.512 3.718 10 0 EHAERN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N1CC[C@@H]2CCC[C@H]21 ZINC000330294504 1042843860 /nfs/dbraw/zinc/84/38/60/1042843860.db2.gz FGSUVFXSANYWSC-SWLSCSKDSA-N 0 0 345.830 3.724 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)o1 ZINC000122203853 1042881572 /nfs/dbraw/zinc/88/15/72/1042881572.db2.gz HQSHLKWVKXUDAG-WCXIOVBPSA-N 0 0 332.444 3.782 10 0 EHAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000408276416 1042932029 /nfs/dbraw/zinc/93/20/29/1042932029.db2.gz INXKBCCMQITQRE-ILOOSNLDSA-N 0 0 342.487 3.587 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3c(F)cc(F)cc3F)CC2)n1 ZINC000163098826 1043905701 /nfs/dbraw/zinc/90/57/01/1043905701.db2.gz GUPNUWYUBLMJAM-UHFFFAOYSA-N 0 0 340.370 3.889 10 0 EHAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000332932951 1044461243 /nfs/dbraw/zinc/46/12/43/1044461243.db2.gz UDOYAYOJVQXRJL-BRWVUGGUSA-N 0 0 329.444 3.847 10 0 EHAERN Cc1c(C(=O)NC[C@@H](O)Cc2ccccc2)oc2c1c(C)ccc2C ZINC000104911059 1127903122 /nfs/dbraw/zinc/90/31/22/1127903122.db2.gz RZVATUWJSFIPGL-KRWDZBQOSA-N 0 0 337.419 3.691 10 0 EHAERN CSc1ccccc1[C@H](C)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000282221779 1128100957 /nfs/dbraw/zinc/10/09/57/1128100957.db2.gz MXZOGIVKAFSQTG-YZVOILCLSA-N 0 0 348.512 3.806 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(C(F)(F)F)o1 ZINC000282317325 1128901364 /nfs/dbraw/zinc/90/13/64/1128901364.db2.gz YJPHIDWULNVCPN-YUTCNCBUSA-N 0 0 345.361 3.763 10 0 EHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000184449230 1132410688 /nfs/dbraw/zinc/41/06/88/1132410688.db2.gz JNJBXUKQALJOSG-HUUCEWRRSA-N 0 0 345.468 3.791 10 0 EHAERN COCc1ccc(C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)o1 ZINC000102967891 1132568469 /nfs/dbraw/zinc/56/84/69/1132568469.db2.gz DIDXWTNSKJNFJB-GOSISDBHSA-N 0 0 341.338 3.907 10 0 EHAERN Cc1ccc2c(CC(=O)N(C)Cc3ccc(Cl)nc3)c[nH]c2c1 ZINC000101948435 1135425424 /nfs/dbraw/zinc/42/54/24/1135425424.db2.gz YXGOKSSJKJFRCI-UHFFFAOYSA-N 0 0 327.815 3.726 10 0 EHAERN O=C(CCCc1ccccc1)NOCc1cc(F)cc2cccnc21 ZINC000104053705 1135746811 /nfs/dbraw/zinc/74/68/11/1135746811.db2.gz ZIYYISCXISYFQA-UHFFFAOYSA-N 0 0 338.382 3.945 10 0 EHAERN CN(C(=O)c1cccc(C(=O)OCC(F)(F)F)c1)c1ccccc1 ZINC000105515138 1135950885 /nfs/dbraw/zinc/95/08/85/1135950885.db2.gz JGDPLDOLLAMETQ-UHFFFAOYSA-N 0 0 337.297 3.682 10 0 EHAERN CCCCN(Cc1ccccc1Cl)C(=O)CCc1nc(C)no1 ZINC000102613961 1137873509 /nfs/dbraw/zinc/87/35/09/1137873509.db2.gz MGEMLXGMNQKIOI-UHFFFAOYSA-N 0 0 335.835 3.793 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000102877520 1137874450 /nfs/dbraw/zinc/87/44/50/1137874450.db2.gz MWKRMJXNRSAUJZ-JEBQAFNWSA-N 0 0 326.440 3.686 10 0 EHAERN COc1ccccc1[C@@H](C)CC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000103187617 1137875434 /nfs/dbraw/zinc/87/54/34/1137875434.db2.gz XXAMYPWATWPMIE-ZDUSSCGKSA-N 0 0 332.831 3.896 10 0 EHAERN CCCCc1nnc(NC(=O)N(CCC)CCc2ccccn2)s1 ZINC000104978426 1137879774 /nfs/dbraw/zinc/87/97/74/1137879774.db2.gz PSFTUPZROZYAIN-UHFFFAOYSA-N 0 0 347.488 3.762 10 0 EHAERN COc1cnc(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)nc1 ZINC000333176834 1137957298 /nfs/dbraw/zinc/95/72/98/1137957298.db2.gz KSRXLJXELTYQDB-KRWDZBQOSA-N 0 0 338.411 3.559 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2CCc3cncnc3C2)CC1 ZINC000333313783 1138276178 /nfs/dbraw/zinc/27/61/78/1138276178.db2.gz JRLLNUXMPJAXSD-CVEARBPZSA-N 0 0 330.476 3.539 10 0 EHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333917160 1138347418 /nfs/dbraw/zinc/34/74/18/1138347418.db2.gz BYHAVYIUOUUVMC-PQEBFOHHSA-N 0 0 339.435 3.554 10 0 EHAERN COCc1cccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000186296243 1140196827 /nfs/dbraw/zinc/19/68/27/1140196827.db2.gz PPSWRHFJVSJWFF-KRWDZBQOSA-N 0 0 345.468 3.645 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)cs1 ZINC000187058221 1140235195 /nfs/dbraw/zinc/23/51/95/1140235195.db2.gz SKCHHMQMBNQOGE-HNNXBMFYSA-N 0 0 340.404 3.535 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ncccc2C(F)(F)F)cs1 ZINC000187055941 1140235598 /nfs/dbraw/zinc/23/55/98/1140235598.db2.gz YXWNFWWCHKVGLS-LBPRGKRZSA-N 0 0 341.358 3.843 10 0 EHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000189311964 1140334401 /nfs/dbraw/zinc/33/44/01/1140334401.db2.gz RFNOXOCFUGXEIJ-SMDDNHRTSA-N 0 0 342.226 3.647 10 0 EHAERN COc1ccccc1CCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189423863 1140342790 /nfs/dbraw/zinc/34/27/90/1140342790.db2.gz WNBWRMFPBYGAES-INIZCTEOSA-N 0 0 345.468 3.549 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2F)cs1 ZINC000189835809 1140366930 /nfs/dbraw/zinc/36/69/30/1140366930.db2.gz PDWPQIRKSVNRKB-HNNXBMFYSA-N 0 0 337.395 3.505 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000190142976 1140388504 /nfs/dbraw/zinc/38/85/04/1140388504.db2.gz YDIWFSVVXRGOFV-LYRGGWFBSA-N 0 0 335.835 3.597 10 0 EHAERN N[C@@H](c1nnc(-c2ccc(Br)s2)o1)c1ccccc1 ZINC000050283915 214052331 /nfs/dbraw/zinc/05/23/31/214052331.db2.gz PAOXMURXCDMZNX-LLVKDONJSA-N 0 0 336.214 3.609 10 0 EHAERN Cc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000052950545 214156183 /nfs/dbraw/zinc/15/61/83/214156183.db2.gz CYOSBWZQJSWCSF-KRWDZBQOSA-N 0 0 346.471 3.601 10 0 EHAERN COc1cccc(C[C@H](O)Cc2cc(Br)cs2)c1 ZINC000053785592 214199366 /nfs/dbraw/zinc/19/93/66/214199366.db2.gz FXSOJKIMZJQRCW-LBPRGKRZSA-N 0 0 327.243 3.665 10 0 EHAERN COc1ccc(C(=O)c2cccc(F)c2F)c(Br)c1 ZINC000054189235 214223257 /nfs/dbraw/zinc/22/32/57/214223257.db2.gz OTCSXKDXHHCWPN-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN CC(=O)Nc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C)c1 ZINC000054625237 214247675 /nfs/dbraw/zinc/24/76/75/214247675.db2.gz NBXPSLGTKDMVJN-ZDUSSCGKSA-N 0 0 347.418 3.886 10 0 EHAERN O=C(NCc1nc2ccccc2s1)N[C@H]1CCc2c1cccc2F ZINC000056857039 214391970 /nfs/dbraw/zinc/39/19/70/214391970.db2.gz GLKWLQCDEPKEBZ-AWEZNQCLSA-N 0 0 341.411 3.922 10 0 EHAERN Cc1ccc(-c2cc3n[nH]c(=O)n3c(Nc3cccc(F)c3C)n2)cc1 ZINC000057343956 214420638 /nfs/dbraw/zinc/42/06/38/214420638.db2.gz VKCURNDWOFUMSQ-UHFFFAOYSA-N 0 0 349.369 3.584 10 0 EHAERN Oc1ccccc1-c1nn2c(nnc2-c2ccccc2Cl)s1 ZINC000059168688 214613707 /nfs/dbraw/zinc/61/37/07/214613707.db2.gz VHSJOWILWZASQO-UHFFFAOYSA-N 0 0 328.784 3.879 10 0 EHAERN CCCCc1sc(NC(=O)/C=C/C(=O)OC)nc1-c1ccccc1 ZINC000059482671 214621637 /nfs/dbraw/zinc/62/16/37/214621637.db2.gz JCYINGWDOLIICV-VAWYXSNFSA-N 0 0 344.436 3.820 10 0 EHAERN CCCOc1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000100090468 219090915 /nfs/dbraw/zinc/09/09/15/219090915.db2.gz NRXDVJDHNCQYLN-UHFFFAOYSA-N 0 0 326.421 3.522 10 0 EHAERN O[C@@H](Cc1ccccc1F)c1ccc(I)cc1 ZINC000062141769 214701646 /nfs/dbraw/zinc/70/16/46/214701646.db2.gz NWRAMSLEELZEMG-AWEZNQCLSA-N 0 0 342.151 3.706 10 0 EHAERN N[C@H]1c2cc(F)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000100236565 219095282 /nfs/dbraw/zinc/09/52/82/219095282.db2.gz LYEKXSSHKAJMOF-AWEZNQCLSA-N 0 0 325.170 3.679 10 0 EHAERN O=C(/C=C\c1ccco1)NCc1nn(C2CCCC2)c2c1CCCC2 ZINC000101323324 219122250 /nfs/dbraw/zinc/12/22/50/219122250.db2.gz XOPLLRGTFWDPSV-QXMHVHEDSA-N 0 0 339.439 3.800 10 0 EHAERN Fc1ccc(-c2nnc3ccc(SCc4ccccn4)nn32)cc1 ZINC000004062780 210111246 /nfs/dbraw/zinc/11/12/46/210111246.db2.gz MODUOMCCZOXHIS-UHFFFAOYSA-N 0 0 337.383 3.618 10 0 EHAERN CS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CCC2)cc1 ZINC000003814648 210076873 /nfs/dbraw/zinc/07/68/73/210076873.db2.gz YOSNNHRQINRFKF-UHFFFAOYSA-N 0 0 342.416 3.914 10 0 EHAERN COc1cc(F)c([C@@H](O)c2sccc2Br)cc1OC ZINC000104292736 219370614 /nfs/dbraw/zinc/37/06/14/219370614.db2.gz IKYDMLPEYOFRMS-GFCCVEGCSA-N 0 0 347.205 3.749 10 0 EHAERN Cc1c2ccccc2oc1C(=O)Nc1ccccc1-c1nncn1C ZINC000068726935 215329939 /nfs/dbraw/zinc/32/99/39/215329939.db2.gz HPMBVQVHSDOAFY-UHFFFAOYSA-N 0 0 332.363 3.789 10 0 EHAERN COc1ccc(Cl)cc1NC(=S)NC(=O)C1CCCCC1 ZINC000040898873 213398378 /nfs/dbraw/zinc/39/83/78/213398378.db2.gz JFOVBCWNGUNQLA-UHFFFAOYSA-N 0 0 326.849 3.742 10 0 EHAERN Nc1c(Nc2cccnc2)ncnc1Oc1cccc2cccnc21 ZINC000040752115 213381790 /nfs/dbraw/zinc/38/17/90/213381790.db2.gz XPDRMCCJQXCHJA-UHFFFAOYSA-N 0 0 330.351 3.538 10 0 EHAERN Cc1cc(Br)cnc1SCC(=O)Nc1ccccc1 ZINC000040384154 213294402 /nfs/dbraw/zinc/29/44/02/213294402.db2.gz ABOWTHPKMXADNP-UHFFFAOYSA-N 0 0 337.242 3.883 10 0 EHAERN CCn1cc(C(=O)Nc2nccs2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359650 213293542 /nfs/dbraw/zinc/29/35/42/213293542.db2.gz GVKLZGMBGRUKDG-UHFFFAOYSA-N 0 0 347.827 3.692 10 0 EHAERN CCOC(=O)[C@H](NC1CCCC1)c1ccc(Br)cc1 ZINC000037970787 213177168 /nfs/dbraw/zinc/17/71/68/213177168.db2.gz BBOUUOAGOBVGBY-CQSZACIVSA-N 0 0 326.234 3.586 10 0 EHAERN COc1ccc(Br)cc1C(=O)c1c(F)cccc1F ZINC000037363010 213141283 /nfs/dbraw/zinc/14/12/83/213141283.db2.gz BJMAALKYEFLYGV-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN CC(C)CC[C@H](C)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000037129781 213132902 /nfs/dbraw/zinc/13/29/02/213132902.db2.gz WBLJXHPSEABVHA-VIFPVBQESA-N 0 0 326.238 3.855 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000036859865 213123444 /nfs/dbraw/zinc/12/34/44/213123444.db2.gz GWYLBEVDONCJEN-DGCLKSJQSA-N 0 0 327.266 3.969 10 0 EHAERN Nc1cc(NC(=O)c2cccc(Br)c2)c(F)cc1F ZINC000036738804 213114499 /nfs/dbraw/zinc/11/44/99/213114499.db2.gz DKFYJRVVGYLWLM-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN CC1=Nn2c(nnc2C(F)F)S/C1=C/c1cnc2ccccc2n1 ZINC000035657498 213043900 /nfs/dbraw/zinc/04/39/00/213043900.db2.gz QSLXVYPGTJQLEY-WUXMJOGZSA-N 0 0 344.350 3.530 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)[C@H](O)C1 ZINC000035571604 213038618 /nfs/dbraw/zinc/03/86/18/213038618.db2.gz MDKOHRRCHDLIDT-UONOGXRCSA-N 0 0 345.361 3.791 10 0 EHAERN Nc1ccc(F)cc1COc1ccc(I)cc1 ZINC000035308865 213019825 /nfs/dbraw/zinc/01/98/25/213019825.db2.gz KHVIMMOZMSJZSU-UHFFFAOYSA-N 0 0 343.139 3.592 10 0 EHAERN c1nc2c(ncnc2-c2ccccc2)n1[C@H]1COc2ccccc2CO1 ZINC000035276891 213016873 /nfs/dbraw/zinc/01/68/73/213016873.db2.gz IEWCKHIQKPDUTL-QGZVFWFLSA-N 0 0 344.374 3.601 10 0 EHAERN Cc1c(Cc2ccnn2-c2cccc(F)n2)nc2ccc(Cl)cn12 ZINC000034334256 212976938 /nfs/dbraw/zinc/97/69/38/212976938.db2.gz VTKHNBGYYXDENN-UHFFFAOYSA-N 0 0 341.777 3.607 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000035143635 213010517 /nfs/dbraw/zinc/01/05/17/213010517.db2.gz DUOOUPHHJNBHIP-UHFFFAOYSA-N 0 0 349.434 3.534 10 0 EHAERN Brc1ccc2ncnc(Nc3ccc4c(c3)OCO4)c2c1 ZINC000032540961 212809850 /nfs/dbraw/zinc/80/98/50/212809850.db2.gz LPALZQFUBMPSSI-UHFFFAOYSA-N 0 0 344.168 3.865 10 0 EHAERN c1nc2ccccc2n1-c1cc(-c2c[nH]nc2-c2ccccn2)ccn1 ZINC000072115000 216011417 /nfs/dbraw/zinc/01/14/17/216011417.db2.gz NYQLERMLYYSMQV-UHFFFAOYSA-N 0 0 338.374 3.873 10 0 EHAERN CCCCc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1 ZINC000072173117 216063875 /nfs/dbraw/zinc/06/38/75/216063875.db2.gz XCXJQPNJTWZXHY-UHFFFAOYSA-N 0 0 325.412 3.764 10 0 EHAERN O=C1CCCc2nc3c(-c4ccc(Br)cc4)cnn3cc21 ZINC000072464039 216246775 /nfs/dbraw/zinc/24/67/75/216246775.db2.gz OMCBROYILFOIAK-UHFFFAOYSA-N 0 0 342.196 3.678 10 0 EHAERN O=C([O-])[C@H](c1cc(Br)ccc1F)[NH+]1CCCCCC1 ZINC000038086465 213200239 /nfs/dbraw/zinc/20/02/39/213200239.db2.gz HESSRLNHGVQNEF-ZDUSSCGKSA-N 0 0 330.197 3.590 10 0 EHAERN C[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000023144054 212355310 /nfs/dbraw/zinc/35/53/10/212355310.db2.gz BGTXLVMYCRRAHJ-VIFPVBQESA-N 0 0 337.206 3.583 10 0 EHAERN Nc1cc(F)ccc1NC(=O)c1cc(F)ccc1Br ZINC000021965385 212266118 /nfs/dbraw/zinc/26/61/18/212266118.db2.gz CNDJEDZDXBYPCI-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1c(F)cccc1F ZINC000020429068 212127773 /nfs/dbraw/zinc/12/77/73/212127773.db2.gz FRNHTHSHDISEMC-UHFFFAOYSA-N 0 0 331.297 3.601 10 0 EHAERN Fc1ccc(NC2CCC3(CC2)OCCO3)c(Br)c1 ZINC000020430393 212127897 /nfs/dbraw/zinc/12/78/97/212127897.db2.gz TZRFPQFJJHZRTP-UHFFFAOYSA-N 0 0 330.197 3.686 10 0 EHAERN O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000020369367 212123584 /nfs/dbraw/zinc/12/35/84/212123584.db2.gz NTPFLPXSAQJHTC-UHFFFAOYSA-N 0 0 331.375 3.515 10 0 EHAERN CN1C(=O)COc2cc(-n3ccnc3-c3cccc(Cl)c3)ccc21 ZINC000077503436 216919782 /nfs/dbraw/zinc/91/97/82/216919782.db2.gz GIMWAOZMQKDETJ-UHFFFAOYSA-N 0 0 339.782 3.548 10 0 EHAERN CCS[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000019765879 212063491 /nfs/dbraw/zinc/06/34/91/212063491.db2.gz BPVYWOVEBUDBQF-JTQLQIEISA-N 0 0 337.750 3.744 10 0 EHAERN COc1ccc(N)cc1OCc1cc(Br)ccc1F ZINC000019514136 212034441 /nfs/dbraw/zinc/03/44/41/212034441.db2.gz RDOYYJGQZLIZJK-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN C[C@@H](O)c1ccccc1NCc1ccc(I)o1 ZINC000049542952 214015447 /nfs/dbraw/zinc/01/54/47/214015447.db2.gz JDULSIUTZNYTKU-SECBINFHSA-N 0 0 343.164 3.550 10 0 EHAERN CCCC[S@](=O)c1nc2nc(C)c(Br)cc2s1 ZINC000089229691 217778107 /nfs/dbraw/zinc/77/81/07/217778107.db2.gz KIDALLXDHDVBTF-QGZVFWFLSA-N 0 0 333.276 3.670 10 0 EHAERN CC(C)C(=O)N1CCC(n2c3ccccc3nc2[C@H]2CCCO2)CC1 ZINC000012099299 211291583 /nfs/dbraw/zinc/29/15/83/211291583.db2.gz IQMGWXJRGJTWBS-GOSISDBHSA-N 0 0 341.455 3.707 10 0 EHAERN Cc1nnsc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011666531 211232404 /nfs/dbraw/zinc/23/24/04/211232404.db2.gz WUOMSDRFRKTNEC-INIZCTEOSA-N 0 0 344.484 3.687 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2nccc(Cl)n2)C1 ZINC000095085136 218276473 /nfs/dbraw/zinc/27/64/73/218276473.db2.gz CHDLAHGGQFQIGB-GFCCVEGCSA-N 0 0 341.839 3.546 10 0 EHAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)c1ccsc1 ZINC000095074949 218272489 /nfs/dbraw/zinc/27/24/89/218272489.db2.gz YBNUDNAJXSRMDM-CQSZACIVSA-N 0 0 338.473 3.610 10 0 EHAERN Cc1ccnc(OCCC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095090549 218280173 /nfs/dbraw/zinc/28/01/73/218280173.db2.gz AXIADUAXUXHEHM-OAHLLOKOSA-N 0 0 335.448 3.734 10 0 EHAERN Cc1cc(OCCn2c3ccccc3nc2CCO)cc(C)c1Cl ZINC000008786107 211007443 /nfs/dbraw/zinc/00/74/43/211007443.db2.gz ZDBAMTUKRZHQEM-UHFFFAOYSA-N 0 0 344.842 3.920 10 0 EHAERN Fc1ccccc1N1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC000096071881 218570876 /nfs/dbraw/zinc/57/08/76/218570876.db2.gz KIWJGWQLZCWJDY-UHFFFAOYSA-N 0 0 326.419 3.503 10 0 EHAERN Cc1nn(-c2ccccc2C)c(C(C)C)c1C(=O)NCc1cccnc1 ZINC000006708816 210689448 /nfs/dbraw/zinc/68/94/48/210689448.db2.gz RKRQKMGSKNGZCL-UHFFFAOYSA-N 0 0 348.450 3.938 10 0 EHAERN C[C@@H]1CCCC[C@H]1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000004928486 210326203 /nfs/dbraw/zinc/32/62/03/210326203.db2.gz NHYJCNIOYCGGBF-BXUZGUMPSA-N 0 0 333.819 3.622 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)sc1C ZINC000252017641 257659844 /nfs/dbraw/zinc/65/98/44/257659844.db2.gz WIPLPYPMPXTQQT-VQIMIIECSA-N 0 0 349.496 3.555 10 0 EHAERN Cc1c[nH]c(CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1 ZINC000299759735 258077362 /nfs/dbraw/zinc/07/73/62/258077362.db2.gz QYYCEVURFRPKEA-LJQANCHMSA-N 0 0 337.398 3.993 10 0 EHAERN Nc1ccc2c(c1)N(C(=O)c1ccccc1Br)CCS2 ZINC000038051201 132396733 /nfs/dbraw/zinc/39/67/33/132396733.db2.gz PWWKYFBTAVHUSO-UHFFFAOYSA-N 0 0 349.253 3.784 10 0 EHAERN CC(C)(C)CC(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000040902264 132407674 /nfs/dbraw/zinc/40/76/74/132407674.db2.gz RWJDCFXNXJIPOC-UHFFFAOYSA-N 0 0 333.501 3.926 10 0 EHAERN CO[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000045439134 523943948 /nfs/dbraw/zinc/94/39/48/523943948.db2.gz JUIYEALLJKEGJV-RRFJBIMHSA-N 0 0 344.377 3.794 10 0 EHAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 ZINC000036310194 525924853 /nfs/dbraw/zinc/92/48/53/525924853.db2.gz XMYOZWZUUGAWDM-LLVKDONJSA-N 0 0 339.222 3.515 10 0 EHAERN O=C(Cc1csc(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000041109398 527331955 /nfs/dbraw/zinc/33/19/55/527331955.db2.gz JZQUKFWFJAWYHQ-SJORKVTESA-N 0 0 342.464 3.523 10 0 EHAERN COc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCCC2)cc1OC ZINC000034793741 563479291 /nfs/dbraw/zinc/47/92/91/563479291.db2.gz QVNMMEGTMNVYEB-UHFFFAOYSA-N 0 0 329.400 3.531 10 0 EHAERN CCc1c(C)cc2nc(C(F)(F)C(F)F)nn2c1Br ZINC000725248002 563976263 /nfs/dbraw/zinc/97/62/63/563976263.db2.gz GWPZVLQFRCWEHW-UHFFFAOYSA-N 0 0 340.118 3.720 10 0 EHAERN Cc1cccc(Cn2ccnc2CN(C(=O)NC(C)C)C(C)C)c1 ZINC000096207006 563980122 /nfs/dbraw/zinc/98/01/22/563980122.db2.gz XXJSONDBLXFWSN-UHFFFAOYSA-N 0 0 328.460 3.568 10 0 EHAERN CC(C)(C)OC(=O)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCOC1 ZINC000407986210 564004206 /nfs/dbraw/zinc/00/42/06/564004206.db2.gz NJTABZCGXCGQFH-SNVBAGLBSA-N 0 0 325.792 3.906 10 0 EHAERN C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cnc4cccnc43)cc2)[C@@H]1C ZINC000006900648 564100994 /nfs/dbraw/zinc/10/09/94/564100994.db2.gz XVJMVGZRYKVTQV-RKVPGOIHSA-N 0 0 348.450 3.975 10 0 EHAERN CCC1=NS(=O)(=O)c2cccnc2N1c1ccc(C(C)C)cc1 ZINC000065255352 564103475 /nfs/dbraw/zinc/10/34/75/564103475.db2.gz BVCQVHHBRYWRQC-UHFFFAOYSA-N 0 0 329.425 3.854 10 0 EHAERN CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000253369927 564130281 /nfs/dbraw/zinc/13/02/81/564130281.db2.gz JYDFMVYUHJGUNZ-LTIDMASMSA-N 0 0 341.842 3.724 10 0 EHAERN CC(C)CC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961746 564177192 /nfs/dbraw/zinc/17/71/92/564177192.db2.gz NSJLSOKKAGEQHK-QGZVFWFLSA-N 0 0 348.487 3.627 10 0 EHAERN CCN(CC(=O)CCCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000405487735 564177558 /nfs/dbraw/zinc/17/75/58/564177558.db2.gz FGVICJYHEJMBPR-UHFFFAOYSA-N 0 0 335.444 3.810 10 0 EHAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)c1sccc1Br ZINC000405590116 564177597 /nfs/dbraw/zinc/17/75/97/564177597.db2.gz CULIBHJLKLCHST-ZETCQYMHSA-N 0 0 334.235 3.607 10 0 EHAERN COCc1ccsc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000182063040 1032057695 /nfs/dbraw/zinc/05/76/95/1032057695.db2.gz CIVVMPDQLFFZSF-CJNGLKHVSA-N 0 0 345.464 3.921 10 0 EHAERN Cc1nc(CC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000182123023 1032066137 /nfs/dbraw/zinc/06/61/37/1032066137.db2.gz VYRBVOWVXLYVRY-CQSZACIVSA-N 0 0 336.844 3.678 10 0 EHAERN CSCCCCCCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000182202769 1032077128 /nfs/dbraw/zinc/07/71/28/1032077128.db2.gz CNDFEXCEUUPIRX-CQSZACIVSA-N 0 0 341.546 3.956 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c(Br)c1 ZINC000693630801 976648562 /nfs/dbraw/zinc/64/85/62/976648562.db2.gz OOBHQCAATRLXKY-XJKSGUPXSA-N 0 0 338.245 3.817 10 0 EHAERN C[C@H](C[NH2+]Cc1ccc(C(=O)[O-])cc1Br)CC(F)F ZINC000697669090 976857736 /nfs/dbraw/zinc/85/77/36/976857736.db2.gz DOJFDOWWWCHNRA-QMMMGPOBSA-N 0 0 336.176 3.528 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c(Br)c1 ZINC000712638891 977587749 /nfs/dbraw/zinc/58/77/49/977587749.db2.gz CXBDZSRLWIDHGG-RISCZKNCSA-N 0 0 338.245 3.673 10 0 EHAERN CC1(C)[C@H]([NH2+][C@@H](C(=O)[O-])c2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000717982802 977926377 /nfs/dbraw/zinc/92/63/77/977926377.db2.gz XAKBQOPWKYTNTL-CEXWTWQISA-N 0 0 339.435 3.786 10 0 EHAERN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2Br)[C@H](C(=O)[O-])C1 ZINC000719421832 978003543 /nfs/dbraw/zinc/00/35/43/978003543.db2.gz MLHPOMMJDVHJTR-CABZTGNLSA-N 0 0 346.652 3.788 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)Cc3ccc(C)cc3)CCO2)o1 ZINC000182679209 1032117485 /nfs/dbraw/zinc/11/74/85/1032117485.db2.gz GVHOUFBIWPVVHV-BEFAXECRSA-N 0 0 327.424 3.675 10 0 EHAERN C[C@H](CC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)C(C)(C)C ZINC000108771550 1016634778 /nfs/dbraw/zinc/63/47/78/1016634778.db2.gz LAMBRPADWOYQFD-HZPDHXFCSA-N 0 0 346.519 3.783 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(C)c(Cl)cc2C)[nH]1 ZINC000407979558 1016672231 /nfs/dbraw/zinc/67/22/31/1016672231.db2.gz BZPZJCOVAMMIIG-HNNXBMFYSA-N 0 0 332.835 3.751 10 0 EHAERN CC(=O)c1ccc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)[nH]1 ZINC000408022430 1017019458 /nfs/dbraw/zinc/01/94/58/1017019458.db2.gz MPSWNWZTPYDXSG-NRFANRHFSA-N 0 0 336.435 3.728 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3sc(C)nc3C(F)(F)F)CCO2)o1 ZINC000183633241 1032213748 /nfs/dbraw/zinc/21/37/48/1032213748.db2.gz INUIKTXTNNQZKH-GFCCVEGCSA-N 0 0 346.374 3.945 10 0 EHAERN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCn2ccnc21 ZINC000080609138 1032216857 /nfs/dbraw/zinc/21/68/57/1032216857.db2.gz KUVKLBLSSIFBFT-JTQLQIEISA-N 0 0 327.281 3.557 10 0 EHAERN Cc1cc(C(=O)NCc2ncc(-c3ccccc3)cn2)c(C)n1C1CC1 ZINC000184141944 1032256623 /nfs/dbraw/zinc/25/66/23/1032256623.db2.gz ABHPESBABMDRFK-UHFFFAOYSA-N 0 0 346.434 3.827 10 0 EHAERN CC(C)c1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1F ZINC000184444909 1032272083 /nfs/dbraw/zinc/27/20/83/1032272083.db2.gz QBEFLZRNTSHCEX-HNNXBMFYSA-N 0 0 331.395 3.826 10 0 EHAERN C[C@H](CNC(=O)N1CC=C(c2cccs2)CC1)c1nccs1 ZINC000184265524 1032278923 /nfs/dbraw/zinc/27/89/23/1032278923.db2.gz NQMFVOMXCYVCKG-GFCCVEGCSA-N 0 0 333.482 3.807 10 0 EHAERN CC(C)c1noc(CCCNC(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000102452115 1032286530 /nfs/dbraw/zinc/28/65/30/1032286530.db2.gz AJGNOTVEVXSMHW-UHFFFAOYSA-N 0 0 348.491 3.882 10 0 EHAERN CCc1noc(C2CCC(Nc3cccc4c3OCC[C@H]4O)CC2)n1 ZINC000184570701 1032297561 /nfs/dbraw/zinc/29/75/61/1032297561.db2.gz FLRFNZMYUMZECO-SEEARECTSA-N 0 0 343.427 3.586 10 0 EHAERN COc1cc(F)c(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1OC ZINC000184620385 1032310280 /nfs/dbraw/zinc/31/02/80/1032310280.db2.gz JFBUISXVHDTAOY-UHFFFAOYSA-N 0 0 341.382 3.531 10 0 EHAERN C[C@@H](CC(=O)Nc1cccc2c1OCC[C@H]2O)Cc1cccc(F)c1 ZINC000185348480 1032383435 /nfs/dbraw/zinc/38/34/35/1032383435.db2.gz AZNMOVHGGJRJTO-FZKQIMNGSA-N 0 0 343.398 3.849 10 0 EHAERN Cc1nc2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2o1 ZINC000246847433 1032398391 /nfs/dbraw/zinc/39/83/91/1032398391.db2.gz QNKJIXMTLYPZIH-KBRIMQKVSA-N 0 0 341.411 3.605 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(C)s3)C2)c1 ZINC000081639879 1032615896 /nfs/dbraw/zinc/61/58/96/1032615896.db2.gz NKPONYJBESMIBV-ZDUSSCGKSA-N 0 0 331.437 3.703 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(C)s3)C2)c1 ZINC000081639882 1032616631 /nfs/dbraw/zinc/61/66/31/1032616631.db2.gz NKPONYJBESMIBV-CYBMUJFWSA-N 0 0 331.437 3.703 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccoc1C(F)(F)F ZINC000291771410 1019651746 /nfs/dbraw/zinc/65/17/46/1019651746.db2.gz BTJKEIBTPGSYGN-ZENOOKHLSA-N 0 0 345.361 3.844 10 0 EHAERN C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1(C)C ZINC000333968171 1021551740 /nfs/dbraw/zinc/55/17/40/1021551740.db2.gz SPXONKUVIWXTMG-HLPPOEQASA-N 0 0 349.496 3.726 10 0 EHAERN O=C(NC[C@@H]1CCCCS1)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333818950 1022197579 /nfs/dbraw/zinc/19/75/79/1022197579.db2.gz JKRUCGWVXAOWDU-MELADBBJSA-N 0 0 340.514 3.553 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC2)n1 ZINC000328914111 1022544051 /nfs/dbraw/zinc/54/40/51/1022544051.db2.gz PZVXOMVIALKKSC-MJEQTWJJSA-N 0 0 340.427 3.593 10 0 EHAERN C[C@@H](CCn1cccn1)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000588448587 1022893052 /nfs/dbraw/zinc/89/30/52/1022893052.db2.gz KDRRDLINHZSFNV-FWWRYZNZSA-N 0 0 333.457 3.672 10 0 EHAERN Cc1c(Cl)cc(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1Cl ZINC000190064451 1023155917 /nfs/dbraw/zinc/15/59/17/1023155917.db2.gz JLLHIWSYCMCVPY-HONMWMINSA-N 0 0 329.227 3.991 10 0 EHAERN Cc1ccc(/C=C\CC(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)cc1 ZINC000588459535 1023212464 /nfs/dbraw/zinc/21/24/64/1023212464.db2.gz ZIJSXCWFABKGOM-IHWYPQMZSA-N 0 0 345.402 3.583 10 0 EHAERN Cc1noc(C)c1[C@H](C)CC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190308398 1023281753 /nfs/dbraw/zinc/28/17/53/1023281753.db2.gz MILFVWRLVWZRLF-BZNIZROVSA-N 0 0 328.412 3.684 10 0 EHAERN O=S(=O)(CCC1CC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000092316711 1024006961 /nfs/dbraw/zinc/00/69/61/1024006961.db2.gz QQGZHLQXUFSNQU-MRXNPFEDSA-N 0 0 335.469 3.543 10 0 EHAERN Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1CCCO[C@H]1C ZINC000191127802 1024032024 /nfs/dbraw/zinc/03/20/24/1024032024.db2.gz NHPWLYXOSADGIH-ZFWWWQNUSA-N 0 0 330.453 3.550 10 0 EHAERN Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CCCO[C@H]1C ZINC000191127787 1024032305 /nfs/dbraw/zinc/03/23/05/1024032305.db2.gz NHPWLYXOSADGIH-DZGCQCFKSA-N 0 0 330.453 3.550 10 0 EHAERN Cc1cc2ncc(-c3nc(C4C[C@H](C)C[C@@H](C)C4)no3)c(C)n2n1 ZINC000329746443 1024172847 /nfs/dbraw/zinc/17/28/47/1024172847.db2.gz YUXVGBTUTMCRMP-GHMZBOCLSA-N 0 0 325.416 3.936 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@H](C)c3ccccc3F)CCO2)o1 ZINC000151675104 1024376899 /nfs/dbraw/zinc/37/68/99/1024376899.db2.gz DVKQJQSMPGFSOZ-UGSOOPFHSA-N 0 0 331.387 3.821 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3ccccc3OC(C)C)CCO2)o1 ZINC000151685891 1024410156 /nfs/dbraw/zinc/41/01/56/1024410156.db2.gz ZMVUNPSPKKZZDG-LJQANCHMSA-N 0 0 343.423 3.518 10 0 EHAERN CC(C)c1cc(C(=O)N[C@H]2COc3ccccc32)nn1C(C)(C)C ZINC000194888627 1024463330 /nfs/dbraw/zinc/46/33/30/1024463330.db2.gz CHTXFMJGPYKRRO-HNNXBMFYSA-N 0 0 327.428 3.625 10 0 EHAERN COc1cccc([C@@H](C)CC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000151795962 1024665178 /nfs/dbraw/zinc/66/51/78/1024665178.db2.gz MFLMXSGYKMWINB-LIRRHRJNSA-N 0 0 343.423 3.690 10 0 EHAERN CCO[C@@H]1C[C@@H](OC(=O)/C(C)=C\c2ccc(F)cc2)C12CCOCC2 ZINC000588492920 1024937807 /nfs/dbraw/zinc/93/78/07/1024937807.db2.gz VXULRIZJYMFDIS-WMGCDEKXSA-N 0 0 348.414 3.746 10 0 EHAERN CC[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000330354053 1025101542 /nfs/dbraw/zinc/10/15/42/1025101542.db2.gz PDPWRSNZTJLXHE-YESZJQIVSA-N 0 0 349.475 3.663 10 0 EHAERN Cc1cccc(NC2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)c1 ZINC000119668728 1025166267 /nfs/dbraw/zinc/16/62/67/1025166267.db2.gz UMIITNXEQUEYDQ-MRXNPFEDSA-N 0 0 338.455 3.737 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)c2cccc(C)c2O)CC1 ZINC000102483325 1025420972 /nfs/dbraw/zinc/42/09/72/1025420972.db2.gz YWKDPWDENLZBAZ-UHFFFAOYSA-N 0 0 339.435 3.804 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000588508699 1025641553 /nfs/dbraw/zinc/64/15/53/1025641553.db2.gz MHGIIPMZLJRWBF-HKBKRHGFSA-N 0 0 329.440 3.571 10 0 EHAERN CCc1csc([C@H]2CCCN(C(=O)N[C@H](C)c3ccncc3)C2)n1 ZINC000113579710 1025648579 /nfs/dbraw/zinc/64/85/79/1025648579.db2.gz OBJKSANWYXCVCR-HIFRSBDPSA-N 0 0 344.484 3.751 10 0 EHAERN Cc1nc2c(c(N3CCC[C@@H]3c3nc4ccccc4[nH]3)n1)CCCC2 ZINC000329290306 1025729840 /nfs/dbraw/zinc/72/98/40/1025729840.db2.gz AKJAHIYRSNFEQW-GOSISDBHSA-N 0 0 333.439 3.882 10 0 EHAERN COc1cc(C)c(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1F ZINC000588512261 1025817767 /nfs/dbraw/zinc/81/77/67/1025817767.db2.gz DKBRHZLTVLGZCF-FPLPWBNLSA-N 0 0 339.363 3.694 10 0 EHAERN O=C(Nc1cnc(C2CC2)nc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000103238513 1026061736 /nfs/dbraw/zinc/06/17/36/1026061736.db2.gz ONCRMIPTEINKIH-HNNXBMFYSA-N 0 0 328.803 3.816 10 0 EHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1 ZINC000122028176 1026155905 /nfs/dbraw/zinc/15/59/05/1026155905.db2.gz KWSGQFBPDHHRAO-VBNZEHGJSA-N 0 0 326.396 3.550 10 0 EHAERN COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1F ZINC000152529038 1026294471 /nfs/dbraw/zinc/29/44/71/1026294471.db2.gz WMAFUTJNKYXBNW-HZRUHFOJSA-N 0 0 346.427 3.710 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)on3)C2)cc1 ZINC000122469430 1026472998 /nfs/dbraw/zinc/47/29/98/1026472998.db2.gz JGLCCYAKCCWSMP-ZFWWWQNUSA-N 0 0 328.412 3.825 10 0 EHAERN Cc1ccc2ncnc(N3CCC[C@H]3c3nncn3CC(C)C)c2c1 ZINC000301344172 1026770564 /nfs/dbraw/zinc/77/05/64/1026770564.db2.gz GHPGNHPWTWZOQB-KRWDZBQOSA-N 0 0 336.443 3.527 10 0 EHAERN Cc1noc(-c2ccnc(N[C@H](C)c3ccc(-n4cccn4)cc3)c2)n1 ZINC000301438962 1026807351 /nfs/dbraw/zinc/80/73/51/1026807351.db2.gz LQRFXXKGJICEGZ-CYBMUJFWSA-N 0 0 346.394 3.799 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(F)cc3Cl)CCO2)o1 ZINC000152947611 1026879892 /nfs/dbraw/zinc/87/98/92/1026879892.db2.gz GHWGIVFEHJWONT-OAHLLOKOSA-N 0 0 338.766 3.986 10 0 EHAERN CC[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1c(C)nn(C)c1C ZINC000076200726 1027261615 /nfs/dbraw/zinc/26/16/15/1027261615.db2.gz BQVHSTZOCBNJQX-MRXNPFEDSA-N 0 0 332.492 3.854 10 0 EHAERN COc1ccc(C)nc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000128181548 1027403292 /nfs/dbraw/zinc/40/32/92/1027403292.db2.gz VUYHVJHTNLVWKO-UHFFFAOYSA-N 0 0 329.425 3.781 10 0 EHAERN CCCc1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000046443502 1027443707 /nfs/dbraw/zinc/44/37/07/1027443707.db2.gz KOYDSOPZVMUQSF-UHFFFAOYSA-N 0 0 336.395 3.655 10 0 EHAERN Cc1nn(C)c(Cl)c1CN1CCC(Nc2ccccc2F)CC1 ZINC000128978714 1027505752 /nfs/dbraw/zinc/50/57/52/1027505752.db2.gz QHFWNFOUDIUKDH-UHFFFAOYSA-N 0 0 336.842 3.598 10 0 EHAERN O=C(Nc1cnc(C2CC2)nc1)N[C@@H](c1ccco1)c1ccccc1 ZINC000105037697 1027563200 /nfs/dbraw/zinc/56/32/00/1027563200.db2.gz OOFFIGCJEUXTBG-QGZVFWFLSA-N 0 0 334.379 3.858 10 0 EHAERN Cc1cc(F)ccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000129699736 1027589321 /nfs/dbraw/zinc/58/93/21/1027589321.db2.gz OJVJPPRSUOBGDN-UHFFFAOYSA-N 0 0 333.432 3.986 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000246092719 1027711737 /nfs/dbraw/zinc/71/17/37/1027711737.db2.gz CNJJSSVOWQLZHJ-WDTWZTHCSA-N 0 0 331.481 3.624 10 0 EHAERN Cc1nnc([C@@H](NC(=O)C2CCC(C)(C)CC2)c2ccccc2)[nH]1 ZINC000131741746 1027816160 /nfs/dbraw/zinc/81/61/60/1027816160.db2.gz KILFCLZLNBGNSY-INIZCTEOSA-N 0 0 326.444 3.535 10 0 EHAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000078476704 1027861860 /nfs/dbraw/zinc/86/18/60/1027861860.db2.gz JXOPGBVQAFEDMZ-IAGOWNOFSA-N 0 0 341.455 3.577 10 0 EHAERN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112744382 1027952087 /nfs/dbraw/zinc/95/20/87/1027952087.db2.gz USFVCKRMOWBSIL-CABCVRRESA-N 0 0 332.492 3.580 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)Cc3cccc(F)c3)CCO2)o1 ZINC000133393654 1028027289 /nfs/dbraw/zinc/02/72/89/1028027289.db2.gz WHQXRULESDSQLF-FZKQIMNGSA-N 0 0 331.387 3.506 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)CCO2)o1 ZINC000133435495 1028030723 /nfs/dbraw/zinc/03/07/23/1028030723.db2.gz NCQYTILKISCCLV-INIZCTEOSA-N 0 0 337.778 3.523 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCO2)o1 ZINC000133474281 1028036892 /nfs/dbraw/zinc/03/68/92/1028036892.db2.gz DSLRAUACKPIHFL-OAHLLOKOSA-N 0 0 339.313 3.821 10 0 EHAERN COc1ccccc1-c1nnc(CNc2cc(CO)ccc2Cl)o1 ZINC000133711471 1028058835 /nfs/dbraw/zinc/05/88/35/1028058835.db2.gz KNCHPQVTYZRZNF-UHFFFAOYSA-N 0 0 345.786 3.503 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C(C)(C)c3cccc(F)c3)CCO2)o1 ZINC000133844738 1028072087 /nfs/dbraw/zinc/07/20/87/1028072087.db2.gz RKYWLFNTGVSQEW-KRWDZBQOSA-N 0 0 331.387 3.605 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccncc1 ZINC000134171448 1028100258 /nfs/dbraw/zinc/10/02/58/1028100258.db2.gz JIHUVGPFURRZMX-UKRRQHHQSA-N 0 0 345.830 3.659 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134384682 1028116787 /nfs/dbraw/zinc/11/67/87/1028116787.db2.gz KJTUWYGJEROAKF-LNLFQRSKSA-N 0 0 349.519 3.689 10 0 EHAERN C[C@@](O)(CC(=O)N1CC=C(c2ccccc2F)CC1)c1ccccc1 ZINC000137333372 1028308819 /nfs/dbraw/zinc/30/88/19/1028308819.db2.gz VHEMFFHQYFDIOY-OAQYLSRUSA-N 0 0 339.410 3.739 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CC=C(c2ccccc2F)CC1 ZINC000137344618 1028308833 /nfs/dbraw/zinc/30/88/33/1028308833.db2.gz XNZHXFZAISKQAT-LJQANCHMSA-N 0 0 325.383 3.565 10 0 EHAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067046791 1028350977 /nfs/dbraw/zinc/35/09/77/1028350977.db2.gz FMAXKIDFFLIMPM-MRXNPFEDSA-N 0 0 344.480 3.879 10 0 EHAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048081 1028353574 /nfs/dbraw/zinc/35/35/74/1028353574.db2.gz UVGNTLLKDXAWHN-ZFWWWQNUSA-N 0 0 332.444 3.867 10 0 EHAERN O=C(NC1(c2ccccc2)CCCC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000070956034 1028468322 /nfs/dbraw/zinc/46/83/22/1028468322.db2.gz VSVHQWKCUWLMRH-KRWDZBQOSA-N 0 0 334.419 3.698 10 0 EHAERN Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)nc1 ZINC000194110811 1028491127 /nfs/dbraw/zinc/49/11/27/1028491127.db2.gz GBPSEJSRFUYMPY-MJGOQNOKSA-N 0 0 341.499 3.788 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccccc3C(C)=O)C2)cc1 ZINC000073850630 1028584001 /nfs/dbraw/zinc/58/40/01/1028584001.db2.gz CLJVSIHJONZJCT-WMLDXEAASA-N 0 0 337.419 3.916 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccccc3C(C)=O)C2)cc1 ZINC000073850628 1028585211 /nfs/dbraw/zinc/58/52/11/1028585211.db2.gz CLJVSIHJONZJCT-RHSMWYFYSA-N 0 0 337.419 3.916 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)no1 ZINC000195373744 1028598148 /nfs/dbraw/zinc/59/81/48/1028598148.db2.gz ZIEMSNXNXSSGON-GJZGRUSLSA-N 0 0 335.835 3.717 10 0 EHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[C@@H](O)c2cccc(F)c2)C1 ZINC000246586801 1028664780 /nfs/dbraw/zinc/66/47/80/1028664780.db2.gz ZCUALFSCZHNQCY-UPRAQXHNSA-N 0 0 345.389 3.998 10 0 EHAERN Cc1ccc([C@@H]2CN([C@H](C)c3nc(-c4ccccc4)no3)CCO2)o1 ZINC000246780930 1028692101 /nfs/dbraw/zinc/69/21/01/1028692101.db2.gz PGLXJDMALRRTCV-PBHICJAKSA-N 0 0 339.395 3.773 10 0 EHAERN CC1(C)[C@H](NC(=O)Nc2cccc(SC(F)F)c2)[C@H]2CCO[C@H]21 ZINC000246874697 1028706887 /nfs/dbraw/zinc/70/68/87/1028706887.db2.gz LDONJGFUWUCHNP-JHJVBQTASA-N 0 0 342.411 3.936 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CCO2)o1 ZINC000246960673 1028719237 /nfs/dbraw/zinc/71/92/37/1028719237.db2.gz SPPFKULZINJSKV-IYOUNJFTSA-N 0 0 347.361 3.570 10 0 EHAERN C[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)C[C@H]1n1ccnc1 ZINC000247355041 1028783639 /nfs/dbraw/zinc/78/36/39/1028783639.db2.gz HDPNLRUHNCJYCN-CZUORRHYSA-N 0 0 328.441 3.683 10 0 EHAERN CC[C@](C)(NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1nc(C)cs1 ZINC000247495310 1028794884 /nfs/dbraw/zinc/79/48/84/1028794884.db2.gz UOQAIGPOCXHMIC-QITLCBANSA-N 0 0 330.453 3.758 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C1(Cc2cccc(F)c2)CCC1 ZINC000248506445 1028880896 /nfs/dbraw/zinc/88/08/96/1028880896.db2.gz XNKDDIWPMJVRBG-KSZLIROESA-N 0 0 331.431 3.612 10 0 EHAERN CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1nc(C(F)(F)F)cs1 ZINC000248541570 1028886939 /nfs/dbraw/zinc/88/69/39/1028886939.db2.gz BRCWILLOPDGWAT-OUCADQQQSA-N 0 0 342.386 3.861 10 0 EHAERN CCCN(CCc1cccs1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248616381 1028925747 /nfs/dbraw/zinc/92/57/47/1028925747.db2.gz AMFNHCKZBJJQPM-ARFHVFGLSA-N 0 0 336.501 3.526 10 0 EHAERN Cc1ccc(C)c([C@H]2CN(Cc3cn(C(C)(C)C)nn3)[C@@H](C)CO2)c1 ZINC000248830656 1028954662 /nfs/dbraw/zinc/95/46/62/1028954662.db2.gz ICAMJHUHKQGMJK-QFBILLFUSA-N 0 0 342.487 3.612 10 0 EHAERN FC(F)(F)c1ccc([C@@H]2CN(C[C@H]3CCC=CO3)CCO2)cc1 ZINC000248996938 1028975143 /nfs/dbraw/zinc/97/51/43/1028975143.db2.gz PEXHEWJTULGCPB-CVEARBPZSA-N 0 0 327.346 3.771 10 0 EHAERN CC[C@]1(C)Oc2ccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)cc2O1 ZINC000249046268 1028976222 /nfs/dbraw/zinc/97/62/22/1028976222.db2.gz FAPFQPGTQDRJPQ-BKEDOTJMSA-N 0 0 346.427 3.663 10 0 EHAERN CCCn1c(C)nnc1CN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249412179 1029001158 /nfs/dbraw/zinc/00/11/58/1029001158.db2.gz VMHSCDLPMAPMSL-CXAGYDPISA-N 0 0 348.878 3.612 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@H]2CCCC[C@@H]12 ZINC000249460174 1029002659 /nfs/dbraw/zinc/00/26/59/1029002659.db2.gz QNXSEJGDZSREQQ-PVUWLOKVSA-N 0 0 342.443 3.706 10 0 EHAERN Cc1c(Br)scc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000249291299 1029012114 /nfs/dbraw/zinc/01/21/14/1029012114.db2.gz KVTIFJHOGUWODE-MVWJERBFSA-N 0 0 344.274 3.506 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@H]1c1ccccc1 ZINC000077854780 1029163268 /nfs/dbraw/zinc/16/32/68/1029163268.db2.gz OUJCVCBNVIVLGX-UXHICEINSA-N 0 0 338.451 3.699 10 0 EHAERN Cc1c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cccc1-c1ccccn1 ZINC000245729252 1029180680 /nfs/dbraw/zinc/18/06/80/1029180680.db2.gz RLHHPOXANXKHEA-DFQSSKMNSA-N 0 0 336.435 3.744 10 0 EHAERN C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000252651955 1029216776 /nfs/dbraw/zinc/21/67/76/1029216776.db2.gz WTDKTIQODQZLJR-YQQAZPJKSA-N 0 0 345.464 3.630 10 0 EHAERN COc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000078187389 1029239031 /nfs/dbraw/zinc/23/90/31/1029239031.db2.gz OONHUBOWGGSVPB-WMLDXEAASA-N 0 0 325.408 3.722 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CSc3ccncc3)C2)cc1 ZINC000078188376 1029239065 /nfs/dbraw/zinc/23/90/65/1029239065.db2.gz ASRMGGRLABDHJB-GDBMZVCRSA-N 0 0 342.464 3.587 10 0 EHAERN COc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000078187388 1029240830 /nfs/dbraw/zinc/24/08/30/1029240830.db2.gz OONHUBOWGGSVPB-RHSMWYFYSA-N 0 0 325.408 3.722 10 0 EHAERN C[C@H]1CC=CC[C@@H]1COC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000078387311 1029306734 /nfs/dbraw/zinc/30/67/34/1029306734.db2.gz RBJRLGCILDRZNO-GOEBONIOSA-N 0 0 347.480 3.746 10 0 EHAERN Cc1ccc(C)c([C@@H]2CN(c3nc4ccccc4c(=O)[nH]3)[C@@H](C)CO2)c1 ZINC000253597465 1029339177 /nfs/dbraw/zinc/33/91/77/1029339177.db2.gz AVFGCGPAINVKCP-KXBFYZLASA-N 0 0 349.434 3.919 10 0 EHAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000248468851 1029380811 /nfs/dbraw/zinc/38/08/11/1029380811.db2.gz GUDUDGIJFIPXHZ-SOLBZPMBSA-N 0 0 343.471 3.578 10 0 EHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)cc1 ZINC000261396956 1029443636 /nfs/dbraw/zinc/44/36/36/1029443636.db2.gz KWSGQFBPDHHRAO-MAZHCROVSA-N 0 0 326.396 3.550 10 0 EHAERN CCCCCC[C@H](CC)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000246023240 1029579630 /nfs/dbraw/zinc/57/96/30/1029579630.db2.gz WCUCRYINQCNCMV-OKZBNKHCSA-N 0 0 349.519 3.689 10 0 EHAERN O[C@H](C[C@@H]1CCCN1c1nc(-c2ccccc2)ns1)c1ccco1 ZINC000274579839 1029843530 /nfs/dbraw/zinc/84/35/30/1029843530.db2.gz BKYFLVUVTPJFNH-LSDHHAIUSA-N 0 0 341.436 3.891 10 0 EHAERN Cc1cc(C)cc(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000156478825 1029847760 /nfs/dbraw/zinc/84/77/60/1029847760.db2.gz URVWYOYIMSTSGL-UHFFFAOYSA-N 0 0 326.444 3.524 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)n1 ZINC000114828814 1029865048 /nfs/dbraw/zinc/86/50/48/1029865048.db2.gz KQJNTOLEOIADOR-VXGBXAGGSA-N 0 0 336.486 3.558 10 0 EHAERN COc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202241 1030090837 /nfs/dbraw/zinc/09/08/37/1030090837.db2.gz MOJGYNCZHNBFGX-INIZCTEOSA-N 0 0 329.787 3.611 10 0 EHAERN O=C(C[C@@H](O)c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000091031976 1030211878 /nfs/dbraw/zinc/21/18/78/1030211878.db2.gz OKQIFQWSUIKDLL-OAQYLSRUSA-N 0 0 346.430 3.907 10 0 EHAERN CCCC(=CC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)CCC ZINC000092249071 1030415166 /nfs/dbraw/zinc/41/51/66/1030415166.db2.gz MZPOCCKZJAWXOX-UHFFFAOYSA-N 0 0 347.459 3.687 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000248722271 1030449268 /nfs/dbraw/zinc/44/92/68/1030449268.db2.gz CKFFYLADMSAHDN-XYJFISCASA-N 0 0 332.444 3.782 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cnn(C(C)C)c3C)C2)cc1 ZINC000092465321 1030459052 /nfs/dbraw/zinc/45/90/52/1030459052.db2.gz SIKXDZANAQXSIB-WMLDXEAASA-N 0 0 341.455 3.799 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)C(C)(C)O1 ZINC000248729645 1030567936 /nfs/dbraw/zinc/56/79/36/1030567936.db2.gz DBRSCPGEJAGTSJ-BBWFWOEESA-N 0 0 346.471 3.552 10 0 EHAERN Cc1cc(F)ccc1CN1CCCN(C(=O)c2cccs2)CC1 ZINC000093385848 1030598143 /nfs/dbraw/zinc/59/81/43/1030598143.db2.gz IYHOYHKOEJGJCW-UHFFFAOYSA-N 0 0 332.444 3.544 10 0 EHAERN C[C@@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccccn1 ZINC000171003273 1030710433 /nfs/dbraw/zinc/71/04/33/1030710433.db2.gz ZJEZGXPRDWTLNV-CQSZACIVSA-N 0 0 342.418 3.568 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)n1 ZINC000171221379 1030748514 /nfs/dbraw/zinc/74/85/14/1030748514.db2.gz NGKKPLXSVQEVSY-UHFFFAOYSA-N 0 0 343.408 3.719 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2csc3ccccc23)c2ccccc2)[nH]1 ZINC000171571848 1030798031 /nfs/dbraw/zinc/79/80/31/1030798031.db2.gz BSQIYPMGWSRTTG-KRWDZBQOSA-N 0 0 348.431 3.847 10 0 EHAERN Cc1ncc(C(=O)N2CC=C(c3cccs3)CC2)c(C(C)C)n1 ZINC000172093604 1030831357 /nfs/dbraw/zinc/83/13/57/1030831357.db2.gz AAJQHRZDOGLHPM-UHFFFAOYSA-N 0 0 327.453 3.899 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000172041873 1030864478 /nfs/dbraw/zinc/86/44/78/1030864478.db2.gz HKQZAAVXUSBKES-FVMDXXJSSA-N 0 0 331.755 3.572 10 0 EHAERN O=C(NCc1cc(F)cc(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000172223242 1030874219 /nfs/dbraw/zinc/87/42/19/1030874219.db2.gz UWJXFTCTOHWDKD-LBPRGKRZSA-N 0 0 337.395 3.511 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000172636423 1030953660 /nfs/dbraw/zinc/95/36/60/1030953660.db2.gz KXOKVZCAHKQDHH-PZJWPPBQSA-N 0 0 342.483 3.685 10 0 EHAERN Fc1ccccc1NC1CCN(Cc2cn3ccsc3n2)CC1 ZINC000172931963 1031033840 /nfs/dbraw/zinc/03/38/40/1031033840.db2.gz MNGSHGYXMBMWBQ-UHFFFAOYSA-N 0 0 330.432 3.611 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)n(C)n3)C2)cc1 ZINC000173448721 1031090427 /nfs/dbraw/zinc/09/04/27/1031090427.db2.gz UISNFDSTXMAKFE-HOCLYGCPSA-N 0 0 341.455 3.570 10 0 EHAERN C[C@@H](C1CC1)N(C(=O)NC[C@@H]1CCN(C)c2ccccc21)C1CC1 ZINC000174218135 1031179482 /nfs/dbraw/zinc/17/94/82/1031179482.db2.gz PHOQKMKPMUJCDQ-HOCLYGCPSA-N 0 0 327.472 3.583 10 0 EHAERN COc1cccc(Cl)c1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000174474861 1031220287 /nfs/dbraw/zinc/22/02/87/1031220287.db2.gz QGEXRPCFJQQVAY-UHFFFAOYSA-N 0 0 329.743 3.651 10 0 EHAERN CCc1sc(C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1C ZINC000116671357 1031265676 /nfs/dbraw/zinc/26/56/76/1031265676.db2.gz MUEHHTRNEPTIEC-UHFFFAOYSA-N 0 0 343.496 3.721 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)s3)CC2)n1 ZINC000116668948 1031265828 /nfs/dbraw/zinc/26/58/28/1031265828.db2.gz XNBQZWJQMBUZLX-UHFFFAOYSA-N 0 0 335.860 3.504 10 0 EHAERN O=C(c1ncncc1Cl)N1CCC[C@H]1Cc1ccccc1Cl ZINC000175167289 1031308493 /nfs/dbraw/zinc/30/84/93/1031308493.db2.gz HVIYHOUFZSEFLZ-LBPRGKRZSA-N 0 0 336.222 3.631 10 0 EHAERN CCc1nnc(-c2ccc(NC(=O)[C@H]3Oc4ccccc4[C@@H]3C)cc2)o1 ZINC000175810163 1031382747 /nfs/dbraw/zinc/38/27/47/1031382747.db2.gz KAYGWYVMIOUKOK-SGTLLEGYSA-N 0 0 349.390 3.802 10 0 EHAERN CC(C)[C@H](NC(=O)[C@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000176851009 1031496157 /nfs/dbraw/zinc/49/61/57/1031496157.db2.gz ZLNPGGPXESJHMJ-HOCLYGCPSA-N 0 0 333.382 3.552 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN([C@H](C)c3nc(C(C)C)no3)C2)c1 ZINC000177414718 1031539251 /nfs/dbraw/zinc/53/92/51/1031539251.db2.gz WBWVBGBGVGNJQY-KGLIPLIRSA-N 0 0 345.443 3.761 10 0 EHAERN C[C@@H](NC(=O)c1ncncc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000177685858 1031587590 /nfs/dbraw/zinc/58/75/90/1031587590.db2.gz TUBRCGSQHNCALF-GFCCVEGCSA-N 0 0 338.798 3.683 10 0 EHAERN O=C(c1cc(F)c(F)cc1F)N1CCC(Cc2ccccn2)CC1 ZINC000178545924 1031678517 /nfs/dbraw/zinc/67/85/17/1031678517.db2.gz BGLSROBSTXUWAF-UHFFFAOYSA-N 0 0 334.341 3.594 10 0 EHAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1sccc1-c1ccccc1 ZINC000178340962 1031682997 /nfs/dbraw/zinc/68/29/97/1031682997.db2.gz MOXWLPCYMNSAMA-ZWKOTPCHSA-N 0 0 335.428 3.803 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4ccn(C)c4c3)CCO2)o1 ZINC000179408380 1031748143 /nfs/dbraw/zinc/74/81/43/1031748143.db2.gz KJECRTGORFQWNP-SFHVURJKSA-N 0 0 339.395 3.685 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3ccc(Cl)s3)CCO2)o1 ZINC000179348982 1031771632 /nfs/dbraw/zinc/77/16/32/1031771632.db2.gz QXLFAXCGHZSRRL-BTKRWWFXSA-N 0 0 337.828 3.916 10 0 EHAERN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117653311 1031787213 /nfs/dbraw/zinc/78/72/13/1031787213.db2.gz LHRREUXSNLNAGP-QGHHPUGFSA-N 0 0 344.798 3.802 10 0 EHAERN Cc1ccnc(-c2ccc(NC(=O)[C@@H]3Oc4ccccc4[C@H]3C)cc2)n1 ZINC000117673245 1031791437 /nfs/dbraw/zinc/79/14/37/1031791437.db2.gz XPIWOVHZNNBUNH-AUUYWEPGSA-N 0 0 345.402 3.955 10 0 EHAERN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCn3ccnc32)c2ccccc21 ZINC000180092480 1031840477 /nfs/dbraw/zinc/84/04/77/1031840477.db2.gz VWODUEXVJOQZFO-DOTOQJQBSA-N 0 0 337.467 3.732 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3ncc(Cl)cc3Cl)CCO2)o1 ZINC000180173067 1031866427 /nfs/dbraw/zinc/86/64/27/1031866427.db2.gz APLVPJBKDYPXGG-OAHLLOKOSA-N 0 0 327.211 3.863 10 0 EHAERN CCC(CC)n1nc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1C ZINC000180781283 1031910320 /nfs/dbraw/zinc/91/03/20/1031910320.db2.gz NUDQORADVVAMQO-SFHVURJKSA-N 0 0 345.443 3.668 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc1 ZINC000180863182 1031917243 /nfs/dbraw/zinc/91/72/43/1031917243.db2.gz AAPCIWBYQABRIH-UHFFFAOYSA-N 0 0 342.414 3.532 10 0 EHAERN C[C@]1(C(=O)N[C@@H]2CCCOc3c(F)cccc32)CC1(Cl)Cl ZINC000181050639 1031940525 /nfs/dbraw/zinc/94/05/25/1031940525.db2.gz NJHHBQSLNWUKMV-BXUZGUMPSA-N 0 0 332.202 3.740 10 0 EHAERN Cc1ccc(OC2CCN(Cc3csc(C4CC4)n3)CC2)nc1 ZINC000181554001 1032004309 /nfs/dbraw/zinc/00/43/09/1032004309.db2.gz GMIKKBOFBLPPON-UHFFFAOYSA-N 0 0 329.469 3.767 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cc4c(s3)CCC4)CC2)nc1 ZINC000181568135 1032004672 /nfs/dbraw/zinc/00/46/72/1032004672.db2.gz GUOYNCAPLDCWJW-UHFFFAOYSA-N 0 0 342.464 3.624 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329736922 1032035155 /nfs/dbraw/zinc/03/51/55/1032035155.db2.gz STYHBWXHLDRYKR-JOTOCRJQSA-N 0 0 337.423 3.533 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCCCCOC(C)C)C2)cc1 ZINC000181946805 1032046350 /nfs/dbraw/zinc/04/63/50/1032046350.db2.gz IYDUKPNDLMXJQX-AEFFLSMTSA-N 0 0 348.487 3.788 10 0 EHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc3nc(C)ccc3o2)C12CCCC2 ZINC000172587251 1033539685 /nfs/dbraw/zinc/53/96/85/1033539685.db2.gz SINMJZVQGLLHEM-ROUUACIJSA-N 0 0 342.439 3.946 10 0 EHAERN C[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cc2ccccc2o1 ZINC000246972616 1033566862 /nfs/dbraw/zinc/56/68/62/1033566862.db2.gz JPIJJAZVDBVFOF-UVFQYZLESA-N 0 0 327.424 3.690 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000120561437 1033929178 /nfs/dbraw/zinc/92/91/78/1033929178.db2.gz PYOAASOPGZJBHL-BXUZGUMPSA-N 0 0 334.466 3.513 10 0 EHAERN CC(C)CCOc1ccccc1CNC(=O)NCc1cscn1 ZINC000102012930 1034373656 /nfs/dbraw/zinc/37/36/56/1034373656.db2.gz SMZQOKKDOFWUNQ-UHFFFAOYSA-N 0 0 333.457 3.567 10 0 EHAERN Cc1cc(NC2CCN(c3ncccn3)CC2)c2cccc(F)c2n1 ZINC000121348445 1034839237 /nfs/dbraw/zinc/83/92/37/1034839237.db2.gz ZEQXIFXJKXYXCA-UHFFFAOYSA-N 0 0 337.402 3.553 10 0 EHAERN Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)cc2c1 ZINC000282198051 1035486327 /nfs/dbraw/zinc/48/63/27/1035486327.db2.gz SPXOQMQMGZEBOA-BBWFWOEESA-N 0 0 327.424 3.897 10 0 EHAERN Fc1cc(CNCc2ncc(-c3ccccc3)cn2)cc(F)c1F ZINC000185877211 1035555784 /nfs/dbraw/zinc/55/57/84/1035555784.db2.gz YCRNISVWMOPNGA-UHFFFAOYSA-N 0 0 329.325 3.851 10 0 EHAERN CCc1nc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)cs1 ZINC000186611732 1035673633 /nfs/dbraw/zinc/67/36/33/1035673633.db2.gz REEOWHJEXQABPX-ZDUSSCGKSA-N 0 0 336.486 3.517 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)c2cccs2)cs1 ZINC000187011977 1035740065 /nfs/dbraw/zinc/74/00/65/1035740065.db2.gz CELGDIIYHHWMHS-ZDUSSCGKSA-N 0 0 334.466 3.840 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(n3cncn3)CC2)CC1 ZINC000187049270 1035746052 /nfs/dbraw/zinc/74/60/52/1035746052.db2.gz YWKWUISDDHZODE-CVEARBPZSA-N 0 0 347.507 3.620 10 0 EHAERN COc1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)ccc1F ZINC000187100665 1035773934 /nfs/dbraw/zinc/77/39/34/1035773934.db2.gz GQGOZTPEUYXYBZ-NSHDSACASA-N 0 0 335.404 3.702 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cccc(OCc2ccccc2)c1 ZINC000188335562 1035913247 /nfs/dbraw/zinc/91/32/47/1035913247.db2.gz UQHSFHCUBNIQEC-AQNXPRMDSA-N 0 0 337.419 3.563 10 0 EHAERN CC(C)Oc1ccc(CC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000188435453 1035937522 /nfs/dbraw/zinc/93/75/22/1035937522.db2.gz WOYWKTFRSXPNOL-UHFFFAOYSA-N 0 0 337.379 3.705 10 0 EHAERN CCOCCC1(CNC(=O)N[C@H]2CCOc3c(C)cccc32)CCC1 ZINC000188602053 1035963094 /nfs/dbraw/zinc/96/30/94/1035963094.db2.gz UKLMILCUCKMRPS-KRWDZBQOSA-N 0 0 346.471 3.715 10 0 EHAERN Fc1ccccc1-c1noc(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000188988028 1036001673 /nfs/dbraw/zinc/00/16/73/1036001673.db2.gz HSMRYXOPKVPLJM-LBPRGKRZSA-N 0 0 344.415 3.712 10 0 EHAERN CC(C)[C@H]1CCC[C@H](NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000332712947 1036010793 /nfs/dbraw/zinc/01/07/93/1036010793.db2.gz OLZNDQVHOVZAQP-CADBVGFASA-N 0 0 345.487 3.816 10 0 EHAERN COCCc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000189393333 1036063430 /nfs/dbraw/zinc/06/34/30/1036063430.db2.gz SNOQWTVDVWYVLL-OAHLLOKOSA-N 0 0 345.468 3.744 10 0 EHAERN CCCC(O)(CCC)CC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189861834 1036158000 /nfs/dbraw/zinc/15/80/00/1036158000.db2.gz QPCVBGYNZOUQGC-UHFFFAOYSA-N 0 0 345.483 3.803 10 0 EHAERN Cc1noc(-c2ccccc2C(=O)N[C@H]2CCOc3c(C)cccc32)n1 ZINC000189950257 1036167726 /nfs/dbraw/zinc/16/77/26/1036167726.db2.gz AMYBAVPYKAVPEV-KRWDZBQOSA-N 0 0 349.390 3.607 10 0 EHAERN c1csc(NC2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)n1 ZINC000189952093 1036168201 /nfs/dbraw/zinc/16/82/01/1036168201.db2.gz WGFYFPXXXPCLDV-UHFFFAOYSA-N 0 0 339.468 3.610 10 0 EHAERN Cc1ccc(CCCC(=O)N2CCC(Nc3nccs3)CC2)s1 ZINC000190369728 1036228493 /nfs/dbraw/zinc/22/84/93/1036228493.db2.gz VZVXOJOVTHOQNG-UHFFFAOYSA-N 0 0 349.525 3.939 10 0 EHAERN CCCc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190382145 1036231359 /nfs/dbraw/zinc/23/13/59/1036231359.db2.gz GDDGKDVDECFXGR-UHFFFAOYSA-N 0 0 329.469 3.812 10 0 EHAERN CCc1noc(CC)c1Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190384820 1036232471 /nfs/dbraw/zinc/23/24/71/1036232471.db2.gz RXJKMUICYJUGTG-ZBEGNZNMSA-N 0 0 333.432 3.692 10 0 EHAERN CC(C)(C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190416618 1036238399 /nfs/dbraw/zinc/23/83/99/1036238399.db2.gz BEAWYBUOKMZZNQ-UHFFFAOYSA-N 0 0 329.469 3.524 10 0 EHAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)NC1C2CC3CC(C2)CC1C3 ZINC000173757756 1036304822 /nfs/dbraw/zinc/30/48/22/1036304822.db2.gz GFAIMNVWALFVTD-UHFFFAOYSA-N 0 0 339.439 3.518 10 0 EHAERN Cc1nnc([C@H](N[C@H](C)c2cnn(C(C)C)c2C)c2ccccc2)[nH]1 ZINC000191258824 1036354886 /nfs/dbraw/zinc/35/48/86/1036354886.db2.gz IZVBDVJMHOEVHM-FZKQIMNGSA-N 0 0 338.459 3.639 10 0 EHAERN Cc1csc([C@H](C)CNC(=O)N[C@H]2CCOc3c(C)cccc32)n1 ZINC000191420486 1036379419 /nfs/dbraw/zinc/37/94/19/1036379419.db2.gz JLSPFVNYGGENJA-DOMZBBRYSA-N 0 0 345.468 3.686 10 0 EHAERN O=C1Nc2ccccc2CC[C@@H]1N1CC2(CCOCC2)c2ccccc21 ZINC000192283356 1036489639 /nfs/dbraw/zinc/48/96/39/1036489639.db2.gz KPUIVBHZCOILAH-FQEVSTJZSA-N 0 0 348.446 3.508 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)[C@H]2CCCc3cccnc32)c1 ZINC000192534505 1036526131 /nfs/dbraw/zinc/52/61/31/1036526131.db2.gz SLEYJDISHXAIIG-INIZCTEOSA-N 0 0 340.423 3.936 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193023115 1036572185 /nfs/dbraw/zinc/57/21/85/1036572185.db2.gz DBEGZXWVLGDEJN-NSHDSACASA-N 0 0 341.377 3.875 10 0 EHAERN Cc1ccc(OC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1F ZINC000193185477 1036591290 /nfs/dbraw/zinc/59/12/90/1036591290.db2.gz FRYNBFGULGDWJM-UHFFFAOYSA-N 0 0 347.411 3.653 10 0 EHAERN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@@H]1CCCC[C@@H]1O ZINC000060382028 1036852862 /nfs/dbraw/zinc/85/28/62/1036852862.db2.gz KRUDGQYOUTUZQA-CABCVRRESA-N 0 0 346.427 3.543 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)Nc3cccc(-c4ncon4)c3)c21 ZINC000103434165 1036922016 /nfs/dbraw/zinc/92/20/16/1036922016.db2.gz ZCNXBXAYTOGFMJ-UHFFFAOYSA-N 0 0 332.363 3.708 10 0 EHAERN C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000103974686 1036958128 /nfs/dbraw/zinc/95/81/28/1036958128.db2.gz SRIHRNFFFLBDIY-LBPRGKRZSA-N 0 0 336.794 3.591 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)[C@@H](c2ccco2)C1 ZINC000174441914 1036973755 /nfs/dbraw/zinc/97/37/55/1036973755.db2.gz PJJWJGVLRISTCO-FVQBIDKESA-N 0 0 326.396 3.896 10 0 EHAERN CCSc1nnc(SCC(=O)Nc2cccc(C)c2)s1 ZINC000003543756 1037014064 /nfs/dbraw/zinc/01/40/64/1037014064.db2.gz BISYJKDTMWHRQN-UHFFFAOYSA-N 0 0 325.484 3.689 10 0 EHAERN COc1cc2c(cc1F)ncnc2N1CCC[C@H]1c1csc(C)n1 ZINC000302846809 1037147623 /nfs/dbraw/zinc/14/76/23/1037147623.db2.gz OFVOKHGMEAYPDT-HNNXBMFYSA-N 0 0 344.415 3.884 10 0 EHAERN c1cc(-c2noc(CN(Cc3ccccc3)C[C@H]3CCCO3)n2)co1 ZINC000105608381 1037203161 /nfs/dbraw/zinc/20/31/61/1037203161.db2.gz VCZDBAKLSWMRKH-QGZVFWFLSA-N 0 0 339.395 3.511 10 0 EHAERN CN(Cc1nc(-c2ccoc2)no1)Cc1ccccc1N1CCCC1 ZINC000105717469 1037245991 /nfs/dbraw/zinc/24/59/91/1037245991.db2.gz QIBJARLDFHTVSL-UHFFFAOYSA-N 0 0 338.411 3.562 10 0 EHAERN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000247055769 1037530466 /nfs/dbraw/zinc/53/04/66/1037530466.db2.gz VEPWCPVGRSIFKA-BASYENTBSA-N 0 0 341.455 3.738 10 0 EHAERN Cc1cnn([C@@H]2CCCN(Cc3cc(Cl)cc4c3OCOC4)C2)c1 ZINC000105899442 1037605902 /nfs/dbraw/zinc/60/59/02/1037605902.db2.gz ARNQIEXKYYGMLE-QGZVFWFLSA-N 0 0 347.846 3.549 10 0 EHAERN CCCCc1nc(CN2CCC(Cc3nccn3C)CC2)cs1 ZINC000106162969 1037609704 /nfs/dbraw/zinc/60/97/04/1037609704.db2.gz WSKWCSYPYSAFIM-UHFFFAOYSA-N 0 0 332.517 3.674 10 0 EHAERN CC(C)[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(F)cc1F ZINC000366333580 1037798974 /nfs/dbraw/zinc/79/89/74/1037798974.db2.gz YKKNNCFEDCGEIN-FUHWJXTLSA-N 0 0 340.414 3.608 10 0 EHAERN Cc1ccccc1C[C@@H](C)NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114824410 1037809116 /nfs/dbraw/zinc/80/91/16/1037809116.db2.gz MAKHKQIWCUUDRJ-WBVHZDCISA-N 0 0 343.496 3.972 10 0 EHAERN Cc1ccccc1C[C@H](C)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114824415 1037811212 /nfs/dbraw/zinc/81/12/12/1037811212.db2.gz MAKHKQIWCUUDRJ-DOTOQJQBSA-N 0 0 343.496 3.972 10 0 EHAERN CCc1nc(CNC(=O)N2CC=C(c3cccs3)CC2)cs1 ZINC000117966365 1037863895 /nfs/dbraw/zinc/86/38/95/1037863895.db2.gz XIBQNAZHKGCJLW-UHFFFAOYSA-N 0 0 333.482 3.766 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)[C@H](C)c1cccs1)CCC2 ZINC000332693041 1037950742 /nfs/dbraw/zinc/95/07/42/1037950742.db2.gz VQGUVBSKQIGQMS-ZIAGYGMSSA-N 0 0 332.473 3.533 10 0 EHAERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H](C)c1ccc(C)cc1)CCC2 ZINC000332720530 1037950972 /nfs/dbraw/zinc/95/09/72/1037950972.db2.gz YCPMKSFMUBYMMK-AEFFLSMTSA-N 0 0 340.471 3.780 10 0 EHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000332777961 1037953729 /nfs/dbraw/zinc/95/37/29/1037953729.db2.gz WIEAAPVSYUAEKJ-VYIWNADRSA-N 0 0 347.503 3.873 10 0 EHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181175329 1038353745 /nfs/dbraw/zinc/35/37/45/1038353745.db2.gz JZZPZWFPDDQACM-CYBMUJFWSA-N 0 0 344.802 3.880 10 0 EHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(-c2ccncc2)on1 ZINC000123390889 1038741364 /nfs/dbraw/zinc/74/13/64/1038741364.db2.gz SWJBMQWPMWGENR-NEPJUHHUSA-N 0 0 339.317 3.588 10 0 EHAERN Cc1nc(-c2ccc(C)c(NC(=O)N3CC[C@H](C)C[C@H](C)C3)c2)n[nH]1 ZINC000408437543 1040142036 /nfs/dbraw/zinc/14/20/36/1040142036.db2.gz WUAFAOJXMLWRKB-STQMWFEESA-N 0 0 341.459 3.988 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000408437776 1040147960 /nfs/dbraw/zinc/14/79/60/1040147960.db2.gz ZHRMOXOAMJSSFR-XHSDSOJGSA-N 0 0 347.507 3.689 10 0 EHAERN Cc1nnc([C@@H](C)NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000332910468 1040174932 /nfs/dbraw/zinc/17/49/32/1040174932.db2.gz WYXMLXLSZIMIIK-PDJLVRHGSA-N 0 0 348.516 3.812 10 0 EHAERN O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332984004 1040723281 /nfs/dbraw/zinc/72/32/81/1040723281.db2.gz SFVKVOPCIPAROL-INMHGKMJSA-N 0 0 344.446 3.539 10 0 EHAERN Cc1nnc([C@@H]2Cc3ccccc3CN2c2ccnc(C(C)C)n2)o1 ZINC000110252749 1041521313 /nfs/dbraw/zinc/52/13/13/1041521313.db2.gz XNDXZZKXIDESGG-INIZCTEOSA-N 0 0 335.411 3.595 10 0 EHAERN O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCO[C@H]2CCCC[C@H]21 ZINC000408151475 1041870594 /nfs/dbraw/zinc/87/05/94/1041870594.db2.gz QODKEULDRLXASI-CVEARBPZSA-N 0 0 346.814 3.779 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1cccc(Cl)c1 ZINC000330250623 1042546875 /nfs/dbraw/zinc/54/68/75/1042546875.db2.gz NBCUVYSIPNOCGO-CJNGLKHVSA-N 0 0 344.846 3.662 10 0 EHAERN COCc1ccc([C@@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)o1 ZINC000162028366 1042705591 /nfs/dbraw/zinc/70/55/91/1042705591.db2.gz SEPFPYMAIWGHEK-SMDDNHRTSA-N 0 0 332.227 3.673 10 0 EHAERN CCc1nc(C)c([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)s1 ZINC000162477471 1042731752 /nfs/dbraw/zinc/73/17/52/1042731752.db2.gz NQTVEQBMOSFBJW-MLGOLLRUSA-N 0 0 341.484 3.881 10 0 EHAERN CCCN1c2ccc(NC(=O)N3CC[C@H]4CCC[C@H]43)cc2CCC1=O ZINC000330282557 1042805640 /nfs/dbraw/zinc/80/56/40/1042805640.db2.gz VLNGECHCFYZSFP-RHSMWYFYSA-N 0 0 341.455 3.782 10 0 EHAERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CC[C@H]2CCC[C@@H]21 ZINC000330286980 1042819611 /nfs/dbraw/zinc/81/96/11/1042819611.db2.gz AZAMDHHINUCDLV-DYVFJYSZSA-N 0 0 339.439 3.872 10 0 EHAERN Cc1nc(C(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1ccccc1C(C)C ZINC000330332853 1042909772 /nfs/dbraw/zinc/90/97/72/1042909772.db2.gz YEKJGWVDHBISNF-DOTOQJQBSA-N 0 0 338.455 3.714 10 0 EHAERN Cc1ccc(C[C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1 ZINC000122627185 1044307276 /nfs/dbraw/zinc/30/72/76/1044307276.db2.gz BYVPVVGEZKPOLG-FBBABVLZSA-N 0 0 344.499 3.571 10 0 EHAERN CN(C[C@H]1CCCO1)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000102903966 1127780340 /nfs/dbraw/zinc/78/03/40/1127780340.db2.gz UNZHKGWITLCRTP-LJQANCHMSA-N 0 0 340.423 3.799 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000103745343 1132797823 /nfs/dbraw/zinc/79/78/23/1132797823.db2.gz STWFISFHQCFJIV-YGRLFVJLSA-N 0 0 329.787 3.582 10 0 EHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2cccnc2Cl)cc1 ZINC000103813392 1133557224 /nfs/dbraw/zinc/55/72/24/1133557224.db2.gz UJETXQHPERHQEU-NHYWBVRUSA-N 0 0 344.798 3.687 10 0 EHAERN Cc1ccc([C@@H](C)N(C)C(=O)NCCCNC(=O)OC(C)(C)C)cc1 ZINC000103517650 1134723881 /nfs/dbraw/zinc/72/38/81/1134723881.db2.gz AQOXJVYWWHHUAL-OAHLLOKOSA-N 0 0 349.475 3.612 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N(C)Cc3ccc(Cl)nc3)c21 ZINC000103520059 1134724565 /nfs/dbraw/zinc/72/45/65/1134724565.db2.gz FSBDIIMGDQOBFO-UHFFFAOYSA-N 0 0 327.815 3.726 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)N(C)[C@@H](C)c3ccncc3)c21 ZINC000103317578 1137875954 /nfs/dbraw/zinc/87/59/54/1137875954.db2.gz WDADZUNQFOPIDW-HNNXBMFYSA-N 0 0 336.439 3.816 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(F)cc1OC ZINC000104995203 1137879788 /nfs/dbraw/zinc/87/97/88/1137879788.db2.gz VIRZHUYUSRHGEX-UHFFFAOYSA-N 0 0 331.391 3.716 10 0 EHAERN O=C(Nc1cccc2c1CCO2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000333043884 1137953762 /nfs/dbraw/zinc/95/37/62/1137953762.db2.gz OZRRDQYNRAMJHQ-QGZVFWFLSA-N 0 0 348.406 3.867 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000188433647 1140296274 /nfs/dbraw/zinc/29/62/74/1140296274.db2.gz HQLFRAKTAYEIEE-INIZCTEOSA-N 0 0 344.440 3.779 10 0 EHAERN COCc1cccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000188523969 1140299950 /nfs/dbraw/zinc/29/99/50/1140299950.db2.gz YRZZAAVQVQGCTQ-INIZCTEOSA-N 0 0 331.441 3.967 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2nnc(C(F)F)s2)cs1 ZINC000188740228 1140306690 /nfs/dbraw/zinc/30/66/90/1140306690.db2.gz FVCRRIHFCVDTPA-QMMMGPOBSA-N 0 0 345.400 3.610 10 0 EHAERN CN(CC1CC(O)C1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000189662326 1140357296 /nfs/dbraw/zinc/35/72/96/1140357296.db2.gz IZYSPQBMCRUKTM-UHFFFAOYSA-N 0 0 336.741 3.593 10 0 EHAERN O[C@@H](Cc1ccc(Br)cc1)Cc1ccc(F)cc1F ZINC000050885741 214072495 /nfs/dbraw/zinc/07/24/95/214072495.db2.gz IIGXKXHUISBBAM-AWEZNQCLSA-N 0 0 327.168 3.873 10 0 EHAERN Nc1cccc(CNC(=O)c2ccc(Br)cc2Cl)c1 ZINC000052925857 214154715 /nfs/dbraw/zinc/15/47/15/214154715.db2.gz WOJQUJXJOQBCOK-UHFFFAOYSA-N 0 0 339.620 3.615 10 0 EHAERN COc1cccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3C)n2)c1 ZINC000057341643 214419025 /nfs/dbraw/zinc/41/90/25/214419025.db2.gz JQMOVGGUYZWNJO-UHFFFAOYSA-N 0 0 325.343 3.637 10 0 EHAERN FC(F)(F)CNCCOc1ccc(Cl)cc1Br ZINC000049801857 214032913 /nfs/dbraw/zinc/03/29/13/214032913.db2.gz KDOAQDGXWQGFOM-UHFFFAOYSA-N 0 0 332.547 3.633 10 0 EHAERN COC(=O)c1c(C)c(-c2ccc(Br)cc2)sc1N ZINC000098176177 219086830 /nfs/dbraw/zinc/08/68/30/219086830.db2.gz LUXAZVRMSZNIPW-UHFFFAOYSA-N 0 0 326.215 3.855 10 0 EHAERN O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)Nc1ccccc1 ZINC000065035692 214825191 /nfs/dbraw/zinc/82/51/91/214825191.db2.gz CWQFLSQAUUKXBO-UHFFFAOYSA-N 0 0 344.374 3.844 10 0 EHAERN CC(=O)N1c2ccccc2C(=O)[C@@H]1N1CCC(Cc2ccccc2)CC1 ZINC000101421385 219126672 /nfs/dbraw/zinc/12/66/72/219126672.db2.gz PJAYXTPWHZLXHO-JOCHJYFZSA-N 0 0 348.446 3.517 10 0 EHAERN O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1Cl ZINC000101621333 219146533 /nfs/dbraw/zinc/14/65/33/219146533.db2.gz VKHIVUFBSCUALH-CYBMUJFWSA-N 0 0 335.190 3.737 10 0 EHAERN OCCn1nc(-c2ccccc2)c(Br)c1-c1ccccc1 ZINC000003646221 210070405 /nfs/dbraw/zinc/07/04/05/210070405.db2.gz GJIRBQNJWLTHAU-UHFFFAOYSA-N 0 0 343.224 3.972 10 0 EHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000003561435 210056089 /nfs/dbraw/zinc/05/60/89/210056089.db2.gz BDNTUTJCTKWIRK-FPYGCLRLSA-N 0 0 337.297 3.773 10 0 EHAERN COC(=O)c1sc(-c2ccc(Br)c(F)c2)c(C)c1N ZINC000103942723 219331465 /nfs/dbraw/zinc/33/14/65/219331465.db2.gz OHUGNRULSKUEGL-UHFFFAOYSA-N 0 0 344.205 3.994 10 0 EHAERN COC(=O)[C@@]1(Nc2ccc(Br)cc2)CCC[C@H](C)C1 ZINC000104175668 219355577 /nfs/dbraw/zinc/35/55/77/219355577.db2.gz ZFDCEBHJTTXKLO-XHDPSFHLSA-N 0 0 326.234 3.983 10 0 EHAERN COc1ccc([C@H]([NH3+])c2sccc2Br)c(OC)c1 ZINC000104297716 219371481 /nfs/dbraw/zinc/37/14/81/219371481.db2.gz KHFJRCMSFRNWHZ-LBPRGKRZSA-N 0 0 328.231 3.576 10 0 EHAERN C[C@@H](NC(=O)c1sccc1Br)c1ccc(N)cc1 ZINC000104293980 219372165 /nfs/dbraw/zinc/37/21/65/219372165.db2.gz SOBNYAWQDFVHLO-MRVPVSSYSA-N 0 0 325.231 3.584 10 0 EHAERN COc1ccccc1Oc1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040800387 213389022 /nfs/dbraw/zinc/38/90/22/213389022.db2.gz HFLIGIRKLUMJRL-UHFFFAOYSA-N 0 0 344.321 3.882 10 0 EHAERN Cc1cccc2sc(Nc3ncnc(Nc4ccccn4)c3N)nc21 ZINC000040778991 213386163 /nfs/dbraw/zinc/38/61/63/213386163.db2.gz UIMXZRSKDVUKIR-UHFFFAOYSA-N 0 0 349.423 3.859 10 0 EHAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1cccnc1 ZINC000040759832 213384521 /nfs/dbraw/zinc/38/45/21/213384521.db2.gz CPQPSHNXJKJBAE-UHFFFAOYSA-N 0 0 346.316 3.960 10 0 EHAERN Nc1c(NC2CCCC2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040755849 213383135 /nfs/dbraw/zinc/38/31/35/213383135.db2.gz BAHSSDRAPKHQCN-UHFFFAOYSA-N 0 0 327.476 3.794 10 0 EHAERN COc1ccccc1Nc1ncnc(Nc2ccccc2F)c1N ZINC000040759154 213382758 /nfs/dbraw/zinc/38/27/58/213382758.db2.gz OLXCTGFMFXQHOY-UHFFFAOYSA-N 0 0 325.347 3.694 10 0 EHAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccc(F)cc1F ZINC000040709368 213373661 /nfs/dbraw/zinc/37/36/61/213373661.db2.gz VSYVMTAWLNRALZ-UHFFFAOYSA-N 0 0 327.338 3.693 10 0 EHAERN Cc1cccc(Nc2ncnc(NCc3ccc(Cl)cc3)c2N)n1 ZINC000040685619 213369471 /nfs/dbraw/zinc/36/94/71/213369471.db2.gz PYNJPWMQPLXANI-UHFFFAOYSA-N 0 0 340.818 3.771 10 0 EHAERN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1CCCc1nc2ccccc2o1 ZINC000069157721 215366145 /nfs/dbraw/zinc/36/61/45/215366145.db2.gz PWIAPABYWBDDQW-ZBFHGGJFSA-N 0 0 349.434 3.628 10 0 EHAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2CCO)c(C)c1 ZINC000040401096 213297379 /nfs/dbraw/zinc/29/73/79/213297379.db2.gz SDSQZRHXFDIPKS-UHFFFAOYSA-N 0 0 330.815 3.878 10 0 EHAERN Cc1ccccc1C(=O)Nc1nc(C(=O)N2CCC(C)CC2)cs1 ZINC000040355370 213292575 /nfs/dbraw/zinc/29/25/75/213292575.db2.gz QFGCALWBBZYPRY-UHFFFAOYSA-N 0 0 343.452 3.576 10 0 EHAERN CCOc1cc2c(cc1OCC)[C@H](c1cnc3ccccc3n1)NCC2 ZINC000038805246 213226868 /nfs/dbraw/zinc/22/68/68/213226868.db2.gz DFUYBJQLDUANLT-OAQYLSRUSA-N 0 0 349.434 3.662 10 0 EHAERN O=C(NCc1cc(F)ccc1Br)c1c[nH]c2ccccc12 ZINC000038039542 213196007 /nfs/dbraw/zinc/19/60/07/213196007.db2.gz DYUHSMCLCXQSHI-UHFFFAOYSA-N 0 0 347.187 4.000 10 0 EHAERN Nc1ccccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000038001349 213185985 /nfs/dbraw/zinc/18/59/85/213185985.db2.gz JDDOLGJYEWPWRW-UHFFFAOYSA-N 0 0 325.195 3.983 10 0 EHAERN NC(=O)[C@@H](Nc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000037942528 213174831 /nfs/dbraw/zinc/17/48/31/213174831.db2.gz UUKNOLDLYGMULS-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN O[C@@H](CNc1cc(Br)ccc1F)c1ccccc1F ZINC000037891763 213172318 /nfs/dbraw/zinc/17/23/18/213172318.db2.gz OOHIKXURKJBTMJ-AWEZNQCLSA-N 0 0 328.156 3.873 10 0 EHAERN Cn1ccnc1CNc1ccc(Br)cc1C(F)(F)F ZINC000037518955 213152652 /nfs/dbraw/zinc/15/26/52/213152652.db2.gz LPPDBVIGFPSPOK-UHFFFAOYSA-N 0 0 334.139 3.814 10 0 EHAERN CCn1cc(Br)cc1C(=O)Nc1cc(F)ccc1F ZINC000036859648 213123616 /nfs/dbraw/zinc/12/36/16/213123616.db2.gz MUVXYHRNZSTUOJ-UHFFFAOYSA-N 0 0 329.144 3.801 10 0 EHAERN N=C1S/C(=C/c2cccc(F)c2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000033415875 212935827 /nfs/dbraw/zinc/93/58/27/212935827.db2.gz MCKYWONHEWFZJK-IPDZCHBRSA-N 0 0 342.351 3.610 10 0 EHAERN COc1cccc(C(=O)N(C[C@@H]2COc3ccccc3C2)C(C)C)c1 ZINC000032985068 212884346 /nfs/dbraw/zinc/88/43/46/212884346.db2.gz MDPGWZVKOGLAKO-MRXNPFEDSA-N 0 0 339.435 3.797 10 0 EHAERN Cc1cccc(C)c1NC(=O)CCn1c(=O)cc(C)c2ccccc21 ZINC000032526337 212808439 /nfs/dbraw/zinc/80/84/39/212808439.db2.gz YYOMTBWTKJXFFU-UHFFFAOYSA-N 0 0 334.419 3.956 10 0 EHAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000030397865 212697220 /nfs/dbraw/zinc/69/72/20/212697220.db2.gz GWMGIOLWVXDHEV-KBPBESRZSA-N 0 0 326.440 3.568 10 0 EHAERN O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2cccs2)=N1 ZINC000072413710 216205156 /nfs/dbraw/zinc/20/51/56/216205156.db2.gz LCYKCMOWXXZQCF-CYBMUJFWSA-N 0 0 327.434 3.529 10 0 EHAERN O=c1[nH]c(Nc2ccc(F)cc2)nc2nccc(-c3cccs3)c12 ZINC000072441146 216235107 /nfs/dbraw/zinc/23/51/07/216235107.db2.gz SOBGABURIKSDBA-UHFFFAOYSA-N 0 0 338.367 3.929 10 0 EHAERN Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(N2CCCCC2)n1 ZINC000072462040 216244156 /nfs/dbraw/zinc/24/41/56/216244156.db2.gz OGPIWNOXADCFDM-UHFFFAOYSA-N 0 0 337.402 3.767 10 0 EHAERN Cc1nc(N2CCCC2)ncc1C(=O)Nc1cccc2ccccc21 ZINC000072465124 216246408 /nfs/dbraw/zinc/24/64/08/216246408.db2.gz VYGBBMGTWQLWLP-UHFFFAOYSA-N 0 0 332.407 3.791 10 0 EHAERN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000073652929 216405650 /nfs/dbraw/zinc/40/56/50/216405650.db2.gz XXMOBCXRHKEUPD-UHFFFAOYSA-N 0 0 328.453 3.643 10 0 EHAERN COc1ccc(C(=O)c2cc(F)ccc2F)cc1Br ZINC000038073972 213199926 /nfs/dbraw/zinc/19/99/26/213199926.db2.gz ICIRNBJHKNBMPN-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN O=C1C[C@@H](c2nc(-c3cccs3)no2)CN1CC1CCCCC1 ZINC000023114812 212349048 /nfs/dbraw/zinc/34/90/48/212349048.db2.gz POFFOYNGNQMFRS-CYBMUJFWSA-N 0 0 331.441 3.694 10 0 EHAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000022624020 212312298 /nfs/dbraw/zinc/31/22/98/212312298.db2.gz JXOOMXUYIWAITK-SJKOYZFVSA-N 0 0 346.377 3.748 10 0 EHAERN C[Si](C)(C)c1c(I)ccc2ccccc21 ZINC000196282624 241034259 /nfs/dbraw/zinc/03/42/59/241034259.db2.gz NRHWVZCNBCARPL-UHFFFAOYSA-N 0 0 326.253 3.990 10 0 EHAERN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000211804043 241086262 /nfs/dbraw/zinc/08/62/62/241086262.db2.gz PCDKEKSCYXRXNV-UHFFFAOYSA-N 0 0 332.444 3.672 10 0 EHAERN CC[C@@H](C)Sc1nnc(NC(=O)C(Cl)(Cl)Cl)s1 ZINC000020573291 212149279 /nfs/dbraw/zinc/14/92/79/212149279.db2.gz VJKUSUYQFRXJOM-SCSAIBSYSA-N 0 0 334.681 3.737 10 0 EHAERN NC(=S)c1cccnc1Oc1ccc(Br)cc1Cl ZINC000020372972 212123932 /nfs/dbraw/zinc/12/39/32/212123932.db2.gz VNYIYIGOTKZOOZ-UHFFFAOYSA-N 0 0 343.633 3.924 10 0 EHAERN Cc1cc(NCc2cc(C(N)=O)ccc2F)ccc1Br ZINC000020045494 212097221 /nfs/dbraw/zinc/09/72/21/212097221.db2.gz DJEVGFSOGUQHFC-UHFFFAOYSA-N 0 0 337.192 3.608 10 0 EHAERN O=C1C(=O)N(C/C=C/c2ccccc2)c2cc(Br)ccc21 ZINC000019967193 212091659 /nfs/dbraw/zinc/09/16/59/212091659.db2.gz AFROLXRLPYNENE-QPJJXVBHSA-N 0 0 342.192 3.692 10 0 EHAERN O=C1C(=O)N(C/C=C/c2ccccc2)c2ccc(Br)cc21 ZINC000019966847 212091845 /nfs/dbraw/zinc/09/18/45/212091845.db2.gz KMDNHCFLVRWULD-QPJJXVBHSA-N 0 0 342.192 3.692 10 0 EHAERN C[C@H](Nc1ccc2c(c1)C(=O)NC2=O)c1cccc(Br)c1 ZINC000019966453 212090848 /nfs/dbraw/zinc/09/08/48/212090848.db2.gz UAHJCXYHJXTNDE-VIFPVBQESA-N 0 0 345.196 3.506 10 0 EHAERN O=C(Cn1c2ccccc2nc1-c1ccc(Cl)cc1)N1CCCC1 ZINC000040249508 213284962 /nfs/dbraw/zinc/28/49/62/213284962.db2.gz WTZYXUYRHFMJRW-UHFFFAOYSA-N 0 0 339.826 3.979 10 0 EHAERN Cc1cc(NC(=O)[C@@H]2CNc3ccccc3O2)ccc1Br ZINC000019514804 212035347 /nfs/dbraw/zinc/03/53/47/212035347.db2.gz NSELBHDSNOZETA-HNNXBMFYSA-N 0 0 347.212 3.569 10 0 EHAERN CCc1c2sc([S@@](=O)CC(C)C)nc2ncc1Br ZINC000089229717 217777932 /nfs/dbraw/zinc/77/79/32/217777932.db2.gz DFWFZROPAQLIBY-GOSISDBHSA-N 0 0 347.303 3.780 10 0 EHAERN O=C(N1Cc2cc(Br)ccc2C2(CCC2)C1)C(F)(F)F ZINC000091356140 217997510 /nfs/dbraw/zinc/99/75/10/217997510.db2.gz RFEXVOJPSGWURP-UHFFFAOYSA-N 0 0 348.162 3.775 10 0 EHAERN O=c1[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2c1CCC2 ZINC000011991326 211275706 /nfs/dbraw/zinc/27/57/06/211275706.db2.gz WDTSABBHMAWAGX-UHFFFAOYSA-N 0 0 329.709 3.674 10 0 EHAERN Cc1cc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)o2)c(C)o1 ZINC000011878215 211262746 /nfs/dbraw/zinc/26/27/46/211262746.db2.gz YHGUJJNEDUSDQD-CYBMUJFWSA-N 0 0 339.395 3.756 10 0 EHAERN CC(=O)Nc1ccc(SCc2ccc(C(F)(F)F)cc2)nn1 ZINC000011738727 211241623 /nfs/dbraw/zinc/24/16/23/211241623.db2.gz KFGZMSTYOLZRMY-UHFFFAOYSA-N 0 0 327.331 3.746 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000095080625 218274712 /nfs/dbraw/zinc/27/47/12/218274712.db2.gz TYPDEPPVNIUNBU-INIZCTEOSA-N 0 0 348.443 3.702 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COCC(=O)c1cccs1 ZINC000095086663 218277358 /nfs/dbraw/zinc/27/73/58/218277358.db2.gz ZNIJHDJSCGZJMC-ZDUSSCGKSA-N 0 0 339.457 3.737 10 0 EHAERN Cc1ccsc1C(=O)N(C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075228 218272535 /nfs/dbraw/zinc/27/25/35/218272535.db2.gz DGGOQTAZAYEYQP-CYBMUJFWSA-N 0 0 338.473 3.528 10 0 EHAERN C[C@@H](OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089458 218279324 /nfs/dbraw/zinc/27/93/24/218279324.db2.gz WRPYOORPZWWDES-HUUCEWRRSA-N 0 0 335.448 3.734 10 0 EHAERN Cc1ccnc(OCCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095090548 218279842 /nfs/dbraw/zinc/27/98/42/218279842.db2.gz AXIADUAXUXHEHM-HNNXBMFYSA-N 0 0 335.448 3.734 10 0 EHAERN CCN(Cc1ccccc1I)C(F)(F)F ZINC000095091138 218280298 /nfs/dbraw/zinc/28/02/98/218280298.db2.gz OFABABZKARKGIN-UHFFFAOYSA-N 0 0 329.103 3.633 10 0 EHAERN Cc1cc(OCCn2c3ccccc3nc2CCO)ccc1Cl ZINC000008786108 211007722 /nfs/dbraw/zinc/00/77/22/211007722.db2.gz WUAHPOXGJWYVSE-UHFFFAOYSA-N 0 0 330.815 3.612 10 0 EHAERN Cc1ccc(F)cc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000008079153 210892085 /nfs/dbraw/zinc/89/20/85/210892085.db2.gz LBGTZMWQGWXXGV-HNNXBMFYSA-N 0 0 330.384 3.576 10 0 EHAERN CC(C)(C)OC(=O)N=c1[nH]c2ccc(Br)nc2s1 ZINC000095803936 218448551 /nfs/dbraw/zinc/44/85/51/218448551.db2.gz MDARLICIOWRXDX-UHFFFAOYSA-N 0 0 330.207 3.801 10 0 EHAERN COC(=O)c1ccc2c(Br)nn(-c3ccc(F)cc3)c2c1 ZINC000095930102 218450251 /nfs/dbraw/zinc/45/02/51/218450251.db2.gz FGILASZPDAXMCS-UHFFFAOYSA-N 0 0 349.159 3.714 10 0 EHAERN CC(C)(C)c1ccc(CSc2nnc(-c3ccncc3)n2N)cc1 ZINC000006262692 210608299 /nfs/dbraw/zinc/60/82/99/210608299.db2.gz YIRKLYPVZMZYES-UHFFFAOYSA-N 0 0 339.468 3.644 10 0 EHAERN Cc1cc(NC(=O)c2sccc2C)n(-c2nc3ccccc3[nH]2)n1 ZINC000004865304 210305271 /nfs/dbraw/zinc/30/52/71/210305271.db2.gz NQBSROWIFNQTPN-UHFFFAOYSA-N 0 0 337.408 3.679 10 0 EHAERN Brc1ccccc1Nc1nc2ccccc2n2cnnc12 ZINC000004823246 210288078 /nfs/dbraw/zinc/28/80/78/210288078.db2.gz LXVPHUXIUFAXGX-UHFFFAOYSA-N 0 0 340.184 3.784 10 0 EHAERN O=c1c2cc(Cl)cc(Cl)c2occ1[C@@H]1NCCn2cccc21 ZINC000032500400 258003724 /nfs/dbraw/zinc/00/37/24/258003724.db2.gz CUPKGALRWLQFLY-AWEZNQCLSA-N 0 0 335.190 3.594 10 0 EHAERN CC[C@@H](C)c1nc2sc3c(c2c(N2CCOCC2)n1)CCCC3 ZINC000035892706 132391396 /nfs/dbraw/zinc/39/13/96/132391396.db2.gz CIQKKXBYCRQLEM-GFCCVEGCSA-N 0 0 331.485 3.920 10 0 EHAERN Cc1ccc(Nc2ncnc(N3CCCc4ccccc43)c2N)nc1 ZINC000040780310 132407426 /nfs/dbraw/zinc/40/74/26/132407426.db2.gz HXRSZGDIPLBRIQ-UHFFFAOYSA-N 0 0 332.411 3.590 10 0 EHAERN C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000027871604 525084737 /nfs/dbraw/zinc/08/47/37/525084737.db2.gz CFPZXZJWKHJPQI-UKRRQHHQSA-N 0 0 332.469 3.693 10 0 EHAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000004896822 560200245 /nfs/dbraw/zinc/20/02/45/560200245.db2.gz NJHXENDODLZLSB-SHUFMVBLSA-N 0 0 332.440 3.642 10 0 in-vitro EHAERN CCc1ccc2nc(N3CCC(C(=O)N[C@H](C)CC)CC3)sc2c1 ZINC000000213134 563261169 /nfs/dbraw/zinc/26/11/69/563261169.db2.gz ZMGFPTFMVMYTNP-CYBMUJFWSA-N 0 0 345.512 3.990 10 0 EHAERN C[C@H](Oc1ccc2c(c1)Oc1ccccc1S2(=O)=O)C(F)(F)F ZINC000013913028 563375143 /nfs/dbraw/zinc/37/51/43/563375143.db2.gz ZWKJZNQUILFRHJ-VIFPVBQESA-N 0 0 344.310 3.955 10 0 EHAERN CCOC(=O)c1csc(-n2nc(C(C)C)cc2C(F)(F)F)n1 ZINC000001415782 563388175 /nfs/dbraw/zinc/38/81/75/563388175.db2.gz RARWWCUDSNEOHS-UHFFFAOYSA-N 0 0 333.335 3.648 10 0 EHAERN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)ns1)c1ccccn1 ZINC000065307720 563855902 /nfs/dbraw/zinc/85/59/02/563855902.db2.gz GBEVGDLHPDTDOG-LLVKDONJSA-N 0 0 327.384 3.835 10 0 EHAERN CO[C@@H]1C[C@H](F)[C@@H](COC(=O)c2ccc(-c3ccccc3)cc2)O1 ZINC000034502749 563918894 /nfs/dbraw/zinc/91/88/94/563918894.db2.gz GPEUOGREWRRXPI-KSZLIROESA-N 0 0 330.355 3.610 10 0 EHAERN Cn1c(C(=O)NCCC2=CCCCC2)cc2c1c1ccccc1[nH]c2=O ZINC000000429717 563999066 /nfs/dbraw/zinc/99/90/66/563999066.db2.gz RMZITYJDWMQOAD-UHFFFAOYSA-N 0 0 349.434 3.640 10 0 EHAERN CCc1c(NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cnn1C1CCCC1 ZINC000575603163 564082266 /nfs/dbraw/zinc/08/22/66/564082266.db2.gz GDMPAEKWXWVQQU-MSOLQXFVSA-N 0 0 346.475 3.736 10 0 EHAERN Cc1cc(Br)ccc1N1CCC[C@@H](C(=O)C(C)C)C1=O ZINC000536951606 564091731 /nfs/dbraw/zinc/09/17/31/564091731.db2.gz XBJAENFGJQRMSU-ZDUSSCGKSA-N 0 0 338.245 3.726 10 0 EHAERN O=C([O-])c1cc(C[NH2+]Cc2ccc(Br)s2)cs1 ZINC000689174650 976238666 /nfs/dbraw/zinc/23/86/66/976238666.db2.gz UYUUYOHFWXTPRO-UHFFFAOYSA-N 0 0 332.244 3.560 10 0 EHAERN CCc1cccc(CC)c1NC(=O)COc1ccc(NC(C)=O)cc1 ZINC000003488930 1014473683 /nfs/dbraw/zinc/47/36/83/1014473683.db2.gz ZVSHDEWAINCRDA-UHFFFAOYSA-N 0 0 340.423 3.787 10 0 EHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000175883711 1015571244 /nfs/dbraw/zinc/57/12/44/1015571244.db2.gz PCIDBPSUALIPHJ-LLVKDONJSA-N 0 0 336.848 3.911 10 0 EHAERN COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(C)o3)s2)C[C@@H]1C ZINC000188015441 1015632056 /nfs/dbraw/zinc/63/20/56/1015632056.db2.gz QKPYUHAELITSMB-AAEUAGOBSA-N 0 0 347.436 3.588 10 0 EHAERN CCCCc1noc([C@@H](C)N2CCC(Oc3ccc(C)cn3)CC2)n1 ZINC000182841510 1032141439 /nfs/dbraw/zinc/14/14/39/1032141439.db2.gz XGUOFIARFBZANZ-OAHLLOKOSA-N 0 0 344.459 3.720 10 0 EHAERN CC1(O)CCN(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000177571618 1016378022 /nfs/dbraw/zinc/37/80/22/1016378022.db2.gz UQBDJUPQLIKPRN-QGZVFWFLSA-N 0 0 334.435 3.613 10 0 EHAERN Cc1[nH]c2ccc(C(=O)N3CCCN(c4ccccn4)CC3)cc2c1C ZINC000183549938 1032178279 /nfs/dbraw/zinc/17/82/79/1032178279.db2.gz QTCLWZFYXDIQSG-UHFFFAOYSA-N 0 0 348.450 3.532 10 0 EHAERN c1ccn2c(c1)nnc2CN[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000183797243 1032206096 /nfs/dbraw/zinc/20/60/96/1032206096.db2.gz KUIHAVQJBYWFLC-MRXNPFEDSA-N 0 0 334.423 3.656 10 0 EHAERN O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1CCCn2ccnc21 ZINC000080612333 1032217180 /nfs/dbraw/zinc/21/71/80/1032217180.db2.gz JFZFCJYBKLLJPS-IBGZPJMESA-N 0 0 347.418 3.869 10 0 EHAERN CCCc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1 ZINC000184039209 1032228610 /nfs/dbraw/zinc/22/86/10/1032228610.db2.gz SJXKRYFFXHGBSW-UHFFFAOYSA-N 0 0 338.455 3.778 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)nc21 ZINC000184780902 1032333612 /nfs/dbraw/zinc/33/36/12/1032333612.db2.gz ZNEHQNBDTDFQQV-KBXCAEBGSA-N 0 0 348.450 3.809 10 0 EHAERN CO[C@@H]1CCCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000178233021 1018540629 /nfs/dbraw/zinc/54/06/29/1018540629.db2.gz WTGYBBNAXYOKNQ-WBVHZDCISA-N 0 0 344.455 3.643 10 0 EHAERN CCCCCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000052166805 1018773220 /nfs/dbraw/zinc/77/32/20/1018773220.db2.gz OSQOTAXLBDYVCK-UHFFFAOYSA-N 0 0 343.393 3.719 10 0 EHAERN CC/C=C\COC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000588411475 1020882404 /nfs/dbraw/zinc/88/24/04/1020882404.db2.gz VDNQLQGSTPDOKL-UTCJRWHESA-N 0 0 327.409 3.669 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246489944 1021128673 /nfs/dbraw/zinc/12/86/73/1021128673.db2.gz IFVSGFBEJSJUFZ-LVQVYYBASA-N 0 0 345.491 3.599 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1COCc2ccccc21 ZINC000333928321 1021505226 /nfs/dbraw/zinc/50/52/26/1021505226.db2.gz XGBYJIIZHWHOJM-GZBFAFLISA-N 0 0 342.361 3.678 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@H]2CCCc3occc32)C[C@@H](c2ccsc2)O1 ZINC000246561898 1021546961 /nfs/dbraw/zinc/54/69/61/1021546961.db2.gz RHWADPRMZXPALX-PVUWLOKVSA-N 0 0 346.452 3.890 10 0 EHAERN O=C(NCc1ccc(C2CCCCC2)cc1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000334066736 1021939118 /nfs/dbraw/zinc/93/91/18/1021939118.db2.gz DLYYAKAUUXSMFF-SLFFLAALSA-N 0 0 342.483 3.647 10 0 EHAERN CC(C)(C)C1=CCN(C(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)CC1 ZINC000334097118 1022197552 /nfs/dbraw/zinc/19/75/52/1022197552.db2.gz SROLPDUBCFLBJE-MSOLQXFVSA-N 0 0 343.471 3.690 10 0 EHAERN O=C(CCCc1c[nH]c2ccccc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127579337 1022374325 /nfs/dbraw/zinc/37/43/25/1022374325.db2.gz JDOGHYVBCMTTSN-LAUBAEHRSA-N 0 0 340.467 3.644 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)C[C@@H](C)Cc2cccc(F)c2)[nH]1 ZINC000328750863 1022480627 /nfs/dbraw/zinc/48/06/27/1022480627.db2.gz RHSVKOQBRRGNMC-SUMWQHHRSA-N 0 0 344.434 3.575 10 0 EHAERN O=C(c1csc(C2CC2)n1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000328912138 1022544179 /nfs/dbraw/zinc/54/41/79/1022544179.db2.gz OULIHLDIAYUSQH-HNNXBMFYSA-N 0 0 338.436 3.874 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(F)c1 ZINC000101738050 1022687792 /nfs/dbraw/zinc/68/77/92/1022687792.db2.gz YUXORPQHYOGJIA-CQSZACIVSA-N 0 0 349.450 3.539 10 0 EHAERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)/C=C\c1ncccc1C ZINC000588453913 1023046516 /nfs/dbraw/zinc/04/65/16/1023046516.db2.gz YBTPNSZFYWUKGT-YUIUBULTSA-N 0 0 335.451 3.660 10 0 EHAERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3cc(Cl)ccc3C)C2)c1 ZINC000190486712 1023292157 /nfs/dbraw/zinc/29/21/57/1023292157.db2.gz USZHCZGJWIWYQY-QGZVFWFLSA-N 0 0 346.862 3.700 10 0 EHAERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)/C=C\c1ncccc1C ZINC000588462743 1023294117 /nfs/dbraw/zinc/29/41/17/1023294117.db2.gz IWTJEZFGRMNTHD-JYBLJSLWSA-N 0 0 335.451 3.531 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000180546963 1023298787 /nfs/dbraw/zinc/29/87/87/1023298787.db2.gz FKEYEWFNPDCDGG-SUMWQHHRSA-N 0 0 326.444 3.545 10 0 EHAERN COc1ccc2c(c1)CCC[C@H]2CNC(=O)/C=C\c1ncccc1C ZINC000588472924 1023704709 /nfs/dbraw/zinc/70/47/09/1023704709.db2.gz HAPALOPSCXPFHR-MQNTZWLQSA-N 0 0 336.435 3.648 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000588479258 1023881744 /nfs/dbraw/zinc/88/17/44/1023881744.db2.gz FGCQCTHWTYBLKR-WFTPILKQSA-N 0 0 327.355 3.684 10 0 EHAERN C[C@H]1CC(c2noc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)C[C@H](C)C1 ZINC000329648270 1023978375 /nfs/dbraw/zinc/97/83/75/1023978375.db2.gz FBUQOQHGYUUQNC-UMVBOHGHSA-N 0 0 331.460 3.725 10 0 EHAERN Cc1ccn2c(c1)ncc(-c1nc(C3C[C@H](C)C[C@@H](C)C3)no1)c2=O ZINC000329748447 1024172955 /nfs/dbraw/zinc/17/29/55/1024172955.db2.gz ZZCTVRYIVIJYCT-CHWSQXEVSA-N 0 0 338.411 3.593 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCCO1 ZINC000247062678 1024199064 /nfs/dbraw/zinc/19/90/64/1024199064.db2.gz PSHHQOPXTCNHKE-BHYGNILZSA-N 0 0 344.455 3.690 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000247062688 1024200581 /nfs/dbraw/zinc/20/05/81/1024200581.db2.gz PSHHQOPXTCNHKE-XIRDDKMYSA-N 0 0 344.455 3.690 10 0 EHAERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[C@H]1CCCCNC1=O ZINC000329818534 1024208477 /nfs/dbraw/zinc/20/84/77/1024208477.db2.gz FURSGZKEAXXURQ-QWHCGFSZSA-N 0 0 345.468 3.962 10 0 EHAERN C[C@@H]1C[C@H](C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC(C)(C)C1 ZINC000329861874 1024227860 /nfs/dbraw/zinc/22/78/60/1024227860.db2.gz QOVDZASBBPGDNS-KFWWJZLASA-N 0 0 333.476 3.715 10 0 EHAERN CC(C)c1cnc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)s1 ZINC000192393934 1024244157 /nfs/dbraw/zinc/24/41/57/1024244157.db2.gz FMGLEEDOZLUALK-QWHCGFSZSA-N 0 0 333.461 3.768 10 0 EHAERN CC[C@@H]1CCCCCN1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000153704641 1024291771 /nfs/dbraw/zinc/29/17/71/1024291771.db2.gz LNZSUJKSWKAKBF-HUUCEWRRSA-N 0 0 333.480 3.601 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)CCO2)o1 ZINC000151815372 1024736925 /nfs/dbraw/zinc/73/69/25/1024736925.db2.gz AGGMLSJULWRVFG-RYRKJORJSA-N 0 0 345.826 3.945 10 0 EHAERN Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cnn(C)c3)cc2c(C)c1 ZINC000330321475 1024778927 /nfs/dbraw/zinc/77/89/27/1024778927.db2.gz FZJYAZOPZRMXHO-IBGZPJMESA-N 0 0 336.439 3.886 10 0 EHAERN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Cl)Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000151958186 1025025135 /nfs/dbraw/zinc/02/51/35/1025025135.db2.gz JPIMSPZICTWRAR-DGFSRKRXSA-N 0 0 346.229 3.698 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CC=C(c2cccs2)CC1 ZINC000152027732 1025096764 /nfs/dbraw/zinc/09/67/64/1025096764.db2.gz YCJMXWGJEXLPME-OAGGEKHMSA-N 0 0 332.469 3.504 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000588502047 1025273721 /nfs/dbraw/zinc/27/37/21/1025273721.db2.gz IYJBCIQZIWTEGL-SSZFMOIBSA-N 0 0 345.483 3.991 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(C)c(F)c3)CCO2)o1 ZINC000121572389 1025510153 /nfs/dbraw/zinc/51/01/53/1025510153.db2.gz CBKZCQUAMSDFTF-KDOFPFPSSA-N 0 0 346.402 3.880 10 0 EHAERN COc1ccc([C@H](C)NCc2nc(-c3ccc(F)cc3)no2)cc1F ZINC000102699721 1025520806 /nfs/dbraw/zinc/52/08/06/1025520806.db2.gz PJVGNRRAMSMQEM-NSHDSACASA-N 0 0 345.349 3.874 10 0 EHAERN C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000102901723 1025542256 /nfs/dbraw/zinc/54/22/56/1025542256.db2.gz ZASWDYVXPRFHLI-CMPLNLGQSA-N 0 0 331.243 3.875 10 0 EHAERN COc1ccc(CNC(=O)N2CCCC2(C)C)c(C(F)(F)F)c1 ZINC000102960013 1025559547 /nfs/dbraw/zinc/55/95/47/1025559547.db2.gz DPHZLCWJMGQFPJ-UHFFFAOYSA-N 0 0 330.350 3.798 10 0 EHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000102988750 1025563212 /nfs/dbraw/zinc/56/32/12/1025563212.db2.gz NFDZGPDJODRLRB-ZTFGCOKTSA-N 0 0 330.472 3.579 10 0 EHAERN O=C(NCc1ccc(F)cc1C(F)(F)F)[C@H]1C[C@@H]1c1ccco1 ZINC000121729873 1025740602 /nfs/dbraw/zinc/74/06/02/1025740602.db2.gz YJYPDIFEASOUJB-RYUDHWBXSA-N 0 0 327.277 3.857 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CCCSC(C)(C)C)c2ccccc2)[nH]1 ZINC000152392667 1025840686 /nfs/dbraw/zinc/84/06/86/1025840686.db2.gz NDGLXQDSYCVJFA-INIZCTEOSA-N 0 0 346.500 3.631 10 0 EHAERN COC(=O)c1cc(F)ccc1CSc1nncc2ccccc21 ZINC000103349947 1026078266 /nfs/dbraw/zinc/07/82/66/1026078266.db2.gz VONYCCYJCLIACI-UHFFFAOYSA-N 0 0 328.368 3.848 10 0 EHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CCc3ccccc3C)cc2)n1 ZINC000103386302 1026095255 /nfs/dbraw/zinc/09/52/55/1026095255.db2.gz WZYRFRZBKPLMHL-UHFFFAOYSA-N 0 0 347.418 3.625 10 0 EHAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329623648 1026096323 /nfs/dbraw/zinc/09/63/23/1026096323.db2.gz HONAQPLNQUNKHA-FMKPAKJESA-N 0 0 331.460 3.869 10 0 EHAERN Cc1cc(-c2noc([C@@H]3C[C@@]34CCOC4)n2)ccc1N1CC[C@H](C)C1 ZINC000329628870 1026105214 /nfs/dbraw/zinc/10/52/14/1026105214.db2.gz VXSCTFKEWBDGFC-ZSOFBXJNSA-N 0 0 339.439 3.785 10 0 EHAERN COc1cc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc(OC)c1OC ZINC000192794982 1026345347 /nfs/dbraw/zinc/34/53/47/1026345347.db2.gz OJYNZJYVHCPEHS-BBRMVZONSA-N 0 0 343.423 3.887 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccccc3OC)C2)cc1 ZINC000122377532 1026423640 /nfs/dbraw/zinc/42/36/40/1026423640.db2.gz IRTQMJSTRWSVFL-ZBFHGGJFSA-N 0 0 325.408 3.722 10 0 EHAERN CC1(C)CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000152628816 1026465387 /nfs/dbraw/zinc/46/53/87/1026465387.db2.gz NPFJHYMHUGOPGD-OAHLLOKOSA-N 0 0 332.469 3.528 10 0 EHAERN C/C(=C/C(=O)Nc1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 ZINC000588532743 1026719404 /nfs/dbraw/zinc/71/94/04/1026719404.db2.gz WTTGQNUVJFIGGY-KAMYIIQDSA-N 0 0 336.370 3.508 10 0 EHAERN Cc1noc(-c2ccnc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)n1 ZINC000301499452 1026829357 /nfs/dbraw/zinc/82/93/57/1026829357.db2.gz CZKWPUUIEQZKFM-NWDGAFQWSA-N 0 0 326.322 3.973 10 0 EHAERN CCOc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000152999316 1026910112 /nfs/dbraw/zinc/91/01/12/1026910112.db2.gz RKRGJBTZRQZAMV-QGZVFWFLSA-N 0 0 330.384 3.592 10 0 EHAERN CCc1nc2sccc2c(NC[C@H]2CC(=O)Nc3ccccc32)n1 ZINC000301836852 1026959459 /nfs/dbraw/zinc/95/94/59/1026959459.db2.gz MFIDWVMWACJWRT-LLVKDONJSA-N 0 0 338.436 3.792 10 0 EHAERN Cc1ccc([C@@H]2CN(c3nnc(Cc4ccccc4)s3)CCO2)o1 ZINC000302201624 1027087409 /nfs/dbraw/zinc/08/74/09/1027087409.db2.gz ZKVGTKNPONCQNW-INIZCTEOSA-N 0 0 341.436 3.608 10 0 EHAERN C[C@@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C[C@@H]1n1ccnc1 ZINC000126272125 1027181240 /nfs/dbraw/zinc/18/12/40/1027181240.db2.gz UNZJRPNPTGNKBR-WHJOBHEISA-N 0 0 346.434 3.554 10 0 EHAERN Cc1csc(C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)n1 ZINC000126628010 1027222660 /nfs/dbraw/zinc/22/26/60/1027222660.db2.gz IODUJIYCQLPBQT-UHFFFAOYSA-N 0 0 328.428 3.983 10 0 EHAERN Cc1nnc([C@H](NC(=O)CC2(C)CCCCC2)c2ccccc2)[nH]1 ZINC000127215009 1027286478 /nfs/dbraw/zinc/28/64/78/1027286478.db2.gz HQIBDPNZXSAPSB-QGZVFWFLSA-N 0 0 326.444 3.679 10 0 EHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(Br)n1 ZINC000128259227 1027414303 /nfs/dbraw/zinc/41/43/03/1027414303.db2.gz NTKZWOOVHWYIRU-IINYFYTJSA-N 0 0 347.212 3.656 10 0 EHAERN COc1ccc(C[C@H](C)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000128613568 1027457808 /nfs/dbraw/zinc/45/78/08/1027457808.db2.gz OULJNYYESYXUOE-GOEBONIOSA-N 0 0 344.480 3.737 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2)no1 ZINC000128791690 1027479210 /nfs/dbraw/zinc/47/92/10/1027479210.db2.gz YOVFJQOUWRBFFV-CYBMUJFWSA-N 0 0 326.183 3.567 10 0 EHAERN CCOc1cc(F)ccc1NC(=O)N(C)CCc1ccccc1OC ZINC000105005499 1027493331 /nfs/dbraw/zinc/49/33/31/1027493331.db2.gz BQFDJFBGSHAVSS-UHFFFAOYSA-N 0 0 346.402 3.939 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2cccc(C=O)c2)o1 ZINC000129144896 1027525768 /nfs/dbraw/zinc/52/57/68/1027525768.db2.gz SBRYRSSCPLKHIA-QAPCUYQASA-N 0 0 341.407 3.922 10 0 EHAERN Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000130448926 1027669512 /nfs/dbraw/zinc/66/95/12/1027669512.db2.gz SVYYZYMQKATJHN-JSGCOSHPSA-N 0 0 347.488 3.511 10 0 EHAERN CN(C)c1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000130737236 1027699042 /nfs/dbraw/zinc/69/90/42/1027699042.db2.gz OICNVDAAXDFGBM-UHFFFAOYSA-N 0 0 344.484 3.605 10 0 EHAERN Cc1nnc([C@H]2CC23CCN(c2ncccc2C(F)(F)F)CC3)o1 ZINC000359905405 1027876595 /nfs/dbraw/zinc/87/65/95/1027876595.db2.gz KIUCLRYZCKRLLR-GFCCVEGCSA-N 0 0 338.333 3.566 10 0 EHAERN O=C(/C=C/c1ccnc(Cl)c1)NC1CCN(c2cccs2)CC1 ZINC000132496420 1027929555 /nfs/dbraw/zinc/92/95/55/1027929555.db2.gz FROIONHGRTYBHA-ONEGZZNKSA-N 0 0 347.871 3.595 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)CCCc3ccc(C)s3)CCO2)o1 ZINC000133320583 1028020486 /nfs/dbraw/zinc/02/04/86/1028020486.db2.gz VNGZJLVCXABSOA-KRWDZBQOSA-N 0 0 333.453 3.881 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@H](C)c3cccc(F)c3)CCO2)o1 ZINC000133839978 1028073686 /nfs/dbraw/zinc/07/36/86/1028073686.db2.gz BKPHXARMPPNIAN-UGSOOPFHSA-N 0 0 331.387 3.821 10 0 EHAERN Clc1ccccc1-c1cnc(CSc2nnnn2C2CC2)o1 ZINC000134073279 1028093203 /nfs/dbraw/zinc/09/32/03/1028093203.db2.gz YDJOKSYRNJEEFP-UHFFFAOYSA-N 0 0 333.804 3.609 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3C)CCO2)o1 ZINC000134191870 1028098435 /nfs/dbraw/zinc/09/84/35/1028098435.db2.gz SZCTUEXWOKILTL-AOIWGVFYSA-N 0 0 325.408 3.600 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Cc3c[nH]c4c3cccc4C)CCO2)o1 ZINC000134192684 1028101439 /nfs/dbraw/zinc/10/14/39/1028101439.db2.gz YRTAVVPDOCSWKL-GOSISDBHSA-N 0 0 338.407 3.520 10 0 EHAERN C[C@H](C(=O)Nc1cccc(-c2ncon2)c1)c1c(F)cccc1F ZINC000134570058 1028130263 /nfs/dbraw/zinc/13/02/63/1028130263.db2.gz CBNVRAWCFVZMQA-JTQLQIEISA-N 0 0 329.306 3.757 10 0 EHAERN CCC(CC)CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000105226136 1028140329 /nfs/dbraw/zinc/14/03/29/1028140329.db2.gz OKUQXZOKXPFNJZ-UHFFFAOYSA-N 0 0 333.407 3.759 10 0 EHAERN CCCCC[C@H](C)CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246353757 1028273577 /nfs/dbraw/zinc/27/35/77/1028273577.db2.gz GBNIIHLKHOBUJY-XYJFISCASA-N 0 0 334.504 3.595 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246376641 1028297932 /nfs/dbraw/zinc/29/79/32/1028297932.db2.gz HWVQBYHQSYPHHR-JEBQAFNWSA-N 0 0 334.435 3.612 10 0 EHAERN COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246392728 1028316723 /nfs/dbraw/zinc/31/67/23/1028316723.db2.gz DTDVSWRGYBQGHN-MCCGJVOXSA-N 0 0 344.238 3.545 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000067834598 1028377907 /nfs/dbraw/zinc/37/79/07/1028377907.db2.gz LGCJAIBVVRLPDA-AWEZNQCLSA-N 0 0 342.443 3.520 10 0 EHAERN CN(C)c1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)nc1 ZINC000193830170 1028469998 /nfs/dbraw/zinc/46/99/98/1028469998.db2.gz QBSROWCMDGTSLN-UHFFFAOYSA-N 0 0 340.402 3.608 10 0 EHAERN Cc1cc(NC(=O)[C@H]2CCCc3cccnc32)ncc1Br ZINC000194610460 1028526145 /nfs/dbraw/zinc/52/61/45/1028526145.db2.gz BNSAMHAEJDCLGF-LBPRGKRZSA-N 0 0 346.228 3.606 10 0 EHAERN C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246448369 1028530536 /nfs/dbraw/zinc/53/05/36/1028530536.db2.gz FBXNRVUYMOMABN-YGRLFVJLSA-N 0 0 326.824 3.898 10 0 EHAERN CCc1ccccc1NC(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195354460 1028597488 /nfs/dbraw/zinc/59/74/88/1028597488.db2.gz IJPPHMNNJKOBHE-HNNXBMFYSA-N 0 0 329.469 3.524 10 0 EHAERN C[C@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1nccs1 ZINC000074131750 1028600862 /nfs/dbraw/zinc/60/08/62/1028600862.db2.gz KBQCEXWFTYHJSI-LBPRGKRZSA-N 0 0 348.447 3.629 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@H]2CSCCS2)[C@@H]1c1cccc(F)c1 ZINC000246575202 1028661810 /nfs/dbraw/zinc/66/18/10/1028661810.db2.gz FSOSRZCLLMZNRW-PVUWLOKVSA-N 0 0 339.501 3.974 10 0 EHAERN CN(Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246670675 1028675918 /nfs/dbraw/zinc/67/59/18/1028675918.db2.gz DDSLTVHOBOXUCS-LZLYRXPVSA-N 0 0 328.412 3.532 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CCO2)o1 ZINC000246960646 1028717274 /nfs/dbraw/zinc/71/72/74/1028717274.db2.gz SPPFKULZINJSKV-DEYYWGMASA-N 0 0 347.361 3.570 10 0 EHAERN Cc1ccc([C@H]2CN([C@H](C)C(=O)Nc3cccc(C)c3C)CCO2)o1 ZINC000247080487 1028743737 /nfs/dbraw/zinc/74/37/37/1028743737.db2.gz VXWNUEYTYBKVHG-VQIMIIECSA-N 0 0 342.439 3.605 10 0 EHAERN Cn1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(-c2cccs2)n1 ZINC000245538908 1028782607 /nfs/dbraw/zinc/78/26/07/1028782607.db2.gz KPMQTQWBXULABU-POZUXBRTSA-N 0 0 349.459 3.607 10 0 EHAERN C[C@H]1CCN(Cc2csc(-c3ccoc3)n2)C[C@H]1n1ccnc1 ZINC000247355071 1028782937 /nfs/dbraw/zinc/78/29/37/1028782937.db2.gz HDPNLRUHNCJYCN-XJKSGUPXSA-N 0 0 328.441 3.683 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@H](C)c3ccccn3)C2)cc1 ZINC000247354826 1028783376 /nfs/dbraw/zinc/78/33/76/1028783376.db2.gz LTJBXCPPJTVKCW-ZMSDIMECSA-N 0 0 339.439 3.739 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)N(Cc1ccc(F)cc1)CC1CC1 ZINC000247633829 1028807275 /nfs/dbraw/zinc/80/72/75/1028807275.db2.gz UZQHUWGANLLQNY-IPMKNSEASA-N 0 0 346.446 3.705 10 0 EHAERN CSc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248121432 1028849905 /nfs/dbraw/zinc/84/99/05/1028849905.db2.gz UJRHISFMDLUENJ-FUHWJXTLSA-N 0 0 326.465 3.584 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)cc1 ZINC000248445423 1028904533 /nfs/dbraw/zinc/90/45/33/1028904533.db2.gz DWFTUUNUKHLYPB-IIYDPXPESA-N 0 0 341.455 3.543 10 0 EHAERN Cc1nc(C(F)(F)F)c(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)s1 ZINC000248754534 1028946834 /nfs/dbraw/zinc/94/68/34/1028946834.db2.gz VMGBGBOEIQUJDJ-JQWIXIFHSA-N 0 0 344.406 3.750 10 0 EHAERN Cc1csc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1Br ZINC000248789889 1028951096 /nfs/dbraw/zinc/95/10/96/1028951096.db2.gz NNCMGDBKYSTOLE-AXFHLTTASA-N 0 0 344.274 3.506 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248980303 1028975391 /nfs/dbraw/zinc/97/53/91/1028975391.db2.gz SMCKUZMCKJUNPP-DTZQCDIJSA-N 0 0 349.475 3.519 10 0 EHAERN CC(C)c1nnc2n1CCN([C@H](C)CCc1cccc(F)c1)[C@H]2C ZINC000249154236 1028992337 /nfs/dbraw/zinc/99/23/37/1028992337.db2.gz HYSCKHFNLSSVAE-CABCVRRESA-N 0 0 330.451 3.939 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H]2CCCC[C@H]21 ZINC000249353564 1028998815 /nfs/dbraw/zinc/99/88/15/1028998815.db2.gz QKMAIYCUQLFFDQ-XOKHGSTOSA-N 0 0 339.443 3.525 10 0 EHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000249775050 1029021086 /nfs/dbraw/zinc/02/10/86/1029021086.db2.gz CBXBOQUUWOBHFO-APHBMKBZSA-N 0 0 330.453 3.739 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@@H]1C1CCCC1 ZINC000077854415 1029163632 /nfs/dbraw/zinc/16/36/32/1029163632.db2.gz WOKQSYWSSPKKKE-RBUKOAKNSA-N 0 0 330.472 3.517 10 0 EHAERN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000252039660 1029172960 /nfs/dbraw/zinc/17/29/60/1029172960.db2.gz ZGJOXLLEDAKOBN-LXZKKBNFSA-N 0 0 349.862 3.629 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccnc(SC)c3)C2)cc1 ZINC000078188268 1029239309 /nfs/dbraw/zinc/23/93/09/1029239309.db2.gz RAABLGCCUSCPDN-CZUORRHYSA-N 0 0 342.464 3.830 10 0 EHAERN O=C(c1ccc2c(c1)COC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000146208097 1029266224 /nfs/dbraw/zinc/26/62/24/1029266224.db2.gz VHXWHCVPHIMKBU-SFHVURJKSA-N 0 0 333.391 3.570 10 0 EHAERN C[C@@H]1CC=CC[C@@H]1COC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000078387308 1029307240 /nfs/dbraw/zinc/30/72/40/1029307240.db2.gz RBJRLGCILDRZNO-GDBMZVCRSA-N 0 0 347.480 3.746 10 0 EHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc(NC(=O)C2CC2)cc1 ZINC000255060219 1029347592 /nfs/dbraw/zinc/34/75/92/1029347592.db2.gz CTZMUYLOHFTQPX-VUCTXSBTSA-N 0 0 338.407 3.609 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC2(CCCC2)C1 ZINC000155615045 1029590336 /nfs/dbraw/zinc/59/03/36/1029590336.db2.gz RYVBYZJMKYZUSY-UHFFFAOYSA-N 0 0 333.501 3.693 10 0 EHAERN CC(C)c1nn(C)c(Cl)c1CN1CCO[C@H](c2cccs2)C1 ZINC000092594291 1030492550 /nfs/dbraw/zinc/49/25/50/1030492550.db2.gz LVGCUHATBWBLMD-ZDUSSCGKSA-N 0 0 339.892 3.832 10 0 EHAERN CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1)c1cccs1 ZINC000246720928 1030670632 /nfs/dbraw/zinc/67/06/32/1030670632.db2.gz URORWSZTBDRTQH-LWGGTIPFSA-N 0 0 342.530 3.578 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)o1 ZINC000093864901 1030687281 /nfs/dbraw/zinc/68/72/81/1030687281.db2.gz ZGIMSWRMNWXGOS-SFHVURJKSA-N 0 0 341.386 3.691 10 0 EHAERN O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccn2)CC1 ZINC000171613599 1030801164 /nfs/dbraw/zinc/80/11/64/1030801164.db2.gz MMWMODGBBWQYNV-UHFFFAOYSA-N 0 0 333.435 3.587 10 0 EHAERN COc1ccc2c(c1NC(=O)/C=C\c1cnc3ccccc3n1)CCC2 ZINC000588583336 1030828813 /nfs/dbraw/zinc/82/88/13/1030828813.db2.gz OWRAXZMNNZKUCW-BENRWUELSA-N 0 0 345.402 3.779 10 0 EHAERN O=C(Nc1ccc2c(c1)OCCO2)N1CC=C(c2cccs2)CC1 ZINC000172221070 1030873976 /nfs/dbraw/zinc/87/39/76/1030873976.db2.gz ZTJMPDQDQIYSCK-UHFFFAOYSA-N 0 0 342.420 3.841 10 0 EHAERN CC[C@@H](C(=O)NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000157841102 1030895261 /nfs/dbraw/zinc/89/52/61/1030895261.db2.gz IQAYDSSWJOEBJL-LJQANCHMSA-N 0 0 337.467 3.669 10 0 EHAERN CC[C@H](C(=O)NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000157840959 1030912681 /nfs/dbraw/zinc/91/26/81/1030912681.db2.gz IQAYDSSWJOEBJL-IBGZPJMESA-N 0 0 337.467 3.669 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3c(F)cccc3Cl)CC2)nc1 ZINC000157877689 1030929025 /nfs/dbraw/zinc/92/90/25/1030929025.db2.gz JZXDRDHZZGZBNB-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN C[C@H]1CC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@H](C)C1 ZINC000172475927 1030963173 /nfs/dbraw/zinc/96/31/73/1030963173.db2.gz QPTITDQXPBIXRL-ZIAGYGMSSA-N 0 0 348.512 3.541 10 0 EHAERN COc1cccc(Cl)c1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000172863845 1031014674 /nfs/dbraw/zinc/01/46/74/1031014674.db2.gz QVQNQTMWNJXDAC-CYBMUJFWSA-N 0 0 344.842 3.702 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2cc(F)ccc2F)cc1 ZINC000172857195 1031014880 /nfs/dbraw/zinc/01/48/80/1031014880.db2.gz UXHJXHWCDWDFDD-SFHVURJKSA-N 0 0 346.377 3.749 10 0 EHAERN Cc1nnc([C@@H](NC(=O)C[C@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000116189170 1031019860 /nfs/dbraw/zinc/01/98/60/1031019860.db2.gz LVEIBSDSVHVGNZ-YWZLYKJASA-N 0 0 348.450 3.821 10 0 EHAERN Cn1c(CN2CCC(Nc3ccccc3F)CC2)nc2ccccc21 ZINC000172932408 1031033876 /nfs/dbraw/zinc/03/38/76/1031033876.db2.gz GEQWKWUBEXJSEO-UHFFFAOYSA-N 0 0 338.430 3.789 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)n(C)n3)C2)cc1 ZINC000173448707 1031090032 /nfs/dbraw/zinc/09/00/32/1031090032.db2.gz UISNFDSTXMAKFE-ZBFHGGJFSA-N 0 0 341.455 3.570 10 0 EHAERN CCC(CC)c1cc(CNC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)on1 ZINC000173641523 1031125479 /nfs/dbraw/zinc/12/54/79/1031125479.db2.gz QPNZEECXCPCQMF-KPZWWZAWSA-N 0 0 328.412 3.759 10 0 EHAERN O=C(Cc1ccccc1F)N1CCC(Nc2ccccc2F)CC1 ZINC000174068643 1031161003 /nfs/dbraw/zinc/16/10/03/1031161003.db2.gz HUOZRWQRSOSVPM-UHFFFAOYSA-N 0 0 330.378 3.610 10 0 EHAERN CCc1cnc(NC(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000174208214 1031177113 /nfs/dbraw/zinc/17/71/13/1031177113.db2.gz FDUXHWIHJVHTAJ-UHFFFAOYSA-N 0 0 348.447 3.953 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1 ZINC000175406829 1031303334 /nfs/dbraw/zinc/30/33/34/1031303334.db2.gz MLSALPKVOBTESD-QGZVFWFLSA-N 0 0 339.435 3.653 10 0 EHAERN O=C(Nc1cccc(Oc2ccccn2)c1)[C@H]1CCCn2ccnc21 ZINC000176491601 1031444779 /nfs/dbraw/zinc/44/47/79/1031444779.db2.gz LBYYOWATSLKWMK-INIZCTEOSA-N 0 0 334.379 3.587 10 0 EHAERN COc1csc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000176874823 1031499466 /nfs/dbraw/zinc/49/94/66/1031499466.db2.gz HUWHREYCCKGPJH-GXTWGEPZSA-N 0 0 331.437 3.784 10 0 EHAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)Nc3c(C)cccc3C)CCO2)o1 ZINC000158639576 1031507906 /nfs/dbraw/zinc/50/79/06/1031507906.db2.gz ZBUJLJNFHANCCB-AEFFLSMTSA-N 0 0 342.439 3.605 10 0 EHAERN O=C(Cc1ccccc1O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000177426827 1031538607 /nfs/dbraw/zinc/53/86/07/1031538607.db2.gz VANDZDLMZWKADR-UHFFFAOYSA-N 0 0 333.387 3.780 10 0 EHAERN CCc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)oc1CC ZINC000177896758 1031635116 /nfs/dbraw/zinc/63/51/16/1031635116.db2.gz AWRSSUXPQHKLIJ-UHFFFAOYSA-N 0 0 326.440 3.894 10 0 EHAERN Cc1nc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(C)s1 ZINC000178749321 1031700207 /nfs/dbraw/zinc/70/02/07/1031700207.db2.gz DFOFFNAALGDETH-UHFFFAOYSA-N 0 0 333.432 3.616 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000179041261 1031727782 /nfs/dbraw/zinc/72/77/82/1031727782.db2.gz OBFRNIWUVOXQFN-AEFFLSMTSA-N 0 0 340.810 3.518 10 0 EHAERN CCn1cc(OC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cn1 ZINC000588588326 1031815825 /nfs/dbraw/zinc/81/58/25/1031815825.db2.gz QDNAETMBWZPTHW-FPLPWBNLSA-N 0 0 327.771 3.723 10 0 EHAERN CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCn3ccnc32)c2ccccc21 ZINC000180092460 1031840340 /nfs/dbraw/zinc/84/03/40/1031840340.db2.gz VWODUEXVJOQZFO-NVXWUHKLSA-N 0 0 337.467 3.732 10 0 EHAERN O=C(C[C@H]1CCOc2ccccc21)Nc1cccc(-c2ncon2)c1 ZINC000117778956 1031852998 /nfs/dbraw/zinc/85/29/98/1031852998.db2.gz CZPCTZBPXJTXDL-CYBMUJFWSA-N 0 0 335.363 3.632 10 0 EHAERN Cc1cc(C)cc(/C=C/C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000180239116 1031871825 /nfs/dbraw/zinc/87/18/25/1031871825.db2.gz IFSCZAAMSGJVOW-RRFGBZISSA-N 0 0 343.467 3.503 10 0 EHAERN CC(C)(CCC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000181354093 1031977768 /nfs/dbraw/zinc/97/77/68/1031977768.db2.gz AQJNOBHTTRCAPC-INIZCTEOSA-N 0 0 326.444 3.616 10 0 EHAERN COC[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccccc1 ZINC000118070318 1032021360 /nfs/dbraw/zinc/02/13/60/1032021360.db2.gz YURWRAJSOXRFQP-QGZVFWFLSA-N 0 0 342.464 3.935 10 0 EHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc3nc(C)ccc3o2)C12CCCC2 ZINC000172587259 1033539311 /nfs/dbraw/zinc/53/93/11/1033539311.db2.gz SINMJZVQGLLHEM-MSOLQXFVSA-N 0 0 342.439 3.946 10 0 EHAERN Fc1ccc(Cn2ccnc2-c2ccccn2)cc1Br ZINC000082739385 1033829551 /nfs/dbraw/zinc/82/95/51/1033829551.db2.gz NQMUGPAKIRMYMO-UHFFFAOYSA-N 0 0 332.176 3.895 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000120561761 1033929117 /nfs/dbraw/zinc/92/91/17/1033929117.db2.gz PYOAASOPGZJBHL-SMDDNHRTSA-N 0 0 334.466 3.513 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N([C@@H](C)C(C)C)C3CC3)CC2)n1 ZINC000086400386 1034077027 /nfs/dbraw/zinc/07/70/27/1034077027.db2.gz FXVFFIHJPNNRRI-INIZCTEOSA-N 0 0 344.503 3.577 10 0 EHAERN CCCCCc1ccc(NC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000101740253 1034150048 /nfs/dbraw/zinc/15/00/48/1034150048.db2.gz YOTUCODGYBRBHH-UHFFFAOYSA-N 0 0 341.459 3.880 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3c(C)noc3Cl)C2)cc1 ZINC000121294510 1034641972 /nfs/dbraw/zinc/64/19/72/1034641972.db2.gz HOLATAWBIDADJR-RISCZKNCSA-N 0 0 348.830 3.592 10 0 EHAERN O=C(CCCc1nc2ccccc2s1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000121366940 1034845661 /nfs/dbraw/zinc/84/56/61/1034845661.db2.gz LDOCGHAIPMPYLK-HOCLYGCPSA-N 0 0 344.480 3.647 10 0 EHAERN Cc1ccc(-c2n[nH]cc2CNCc2ncc(-c3ccccc3)cn2)o1 ZINC000185874551 1035552277 /nfs/dbraw/zinc/55/22/77/1035552277.db2.gz OCXSFBRALPDEPV-UHFFFAOYSA-N 0 0 345.406 3.725 10 0 EHAERN C[C@H](CC(=O)Nc1ccccc1)NCc1ncc(-c2ccccc2)cn1 ZINC000185867110 1035552432 /nfs/dbraw/zinc/55/24/32/1035552432.db2.gz IBFRCVSSRDSNNG-MRXNPFEDSA-N 0 0 346.434 3.651 10 0 EHAERN Cc1oc2ccccc2c1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000185887670 1035558244 /nfs/dbraw/zinc/55/82/44/1035558244.db2.gz RSLUVRPAEJAEEQ-UHFFFAOYSA-N 0 0 349.434 3.843 10 0 EHAERN FC(F)Oc1ccc(NCc2ncc(-c3ccccc3)cn2)nc1 ZINC000185993126 1035560979 /nfs/dbraw/zinc/56/09/79/1035560979.db2.gz MZZYRHAMGMZVCH-UHFFFAOYSA-N 0 0 328.322 3.752 10 0 EHAERN CC(C)C1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186658657 1035678123 /nfs/dbraw/zinc/67/81/23/1035678123.db2.gz WEQXUPSLWXXLBR-UHFFFAOYSA-N 0 0 330.432 3.564 10 0 EHAERN O=C(CCc1ccccn1)N1CCCc2cccc(OC(F)F)c21 ZINC000062882741 1035750345 /nfs/dbraw/zinc/75/03/45/1035750345.db2.gz VAHLTFJWAXUXSF-UHFFFAOYSA-N 0 0 332.350 3.595 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)c(C)c1 ZINC000188299720 1035926219 /nfs/dbraw/zinc/92/62/19/1035926219.db2.gz NUXQNLDRSLMBLS-UHFFFAOYSA-N 0 0 330.457 3.868 10 0 EHAERN c1c[nH]c([C@H](NCc2ncc(-c3ccccc3)cn2)c2ccccc2)n1 ZINC000188466878 1035941968 /nfs/dbraw/zinc/94/19/68/1035941968.db2.gz UTHUZAXAVBYJRS-HXUWFJFHSA-N 0 0 341.418 3.746 10 0 EHAERN CCN(CCc1nccs1)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188636099 1035965911 /nfs/dbraw/zinc/96/59/11/1035965911.db2.gz HJCKEXZJIGPQPZ-HNNXBMFYSA-N 0 0 345.468 3.549 10 0 EHAERN O=C(/C=C/c1cncc(F)c1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189643739 1036104933 /nfs/dbraw/zinc/10/49/33/1036104933.db2.gz JDUJPJSCALUXEJ-ZRFDWSJLSA-N 0 0 346.352 3.918 10 0 EHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cn(C)nc1C ZINC000189690054 1036116042 /nfs/dbraw/zinc/11/60/42/1036116042.db2.gz HZDAJFGXKFAIRM-AEFFLSMTSA-N 0 0 326.444 3.919 10 0 EHAERN CC(=O)[C@@H](C)CCCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189831749 1036152934 /nfs/dbraw/zinc/15/29/34/1036152934.db2.gz RTQVTNFFQNGIMN-INIZCTEOSA-N 0 0 343.467 3.867 10 0 EHAERN C[C@@H](Oc1ccccc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189843937 1036155986 /nfs/dbraw/zinc/15/59/86/1036155986.db2.gz UNPZUPSFOSOWIU-MRXNPFEDSA-N 0 0 337.419 3.549 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(Cl)nc1Cl ZINC000189949389 1036168049 /nfs/dbraw/zinc/16/80/49/1036168049.db2.gz TTXOEFQMHBADHC-LBPRGKRZSA-N 0 0 337.206 3.950 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC(CCc2ccccc2)CC1 ZINC000189982524 1036171219 /nfs/dbraw/zinc/17/12/19/1036171219.db2.gz SDINNOVXGKNDGG-UHFFFAOYSA-N 0 0 348.446 3.666 10 0 EHAERN CSc1ccccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190429459 1036238375 /nfs/dbraw/zinc/23/83/75/1036238375.db2.gz CHGJKJTXKQAJJD-UHFFFAOYSA-N 0 0 333.482 3.582 10 0 EHAERN COCCCN(C)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000190716010 1036261077 /nfs/dbraw/zinc/26/10/77/1036261077.db2.gz YVUIRWBWWOFVLY-CQSZACIVSA-N 0 0 339.505 3.534 10 0 EHAERN Cc1cnc([C@@H](C)NC(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000191000027 1036317161 /nfs/dbraw/zinc/31/71/61/1036317161.db2.gz MQWDODJYDVTFCP-OCCSQVGLSA-N 0 0 331.441 3.644 10 0 EHAERN CCCn1cc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cn1 ZINC000191201756 1036348464 /nfs/dbraw/zinc/34/84/64/1036348464.db2.gz BEGMMSCZQCQQTH-ZDUSSCGKSA-N 0 0 333.382 3.591 10 0 EHAERN Cc1cnccc1CNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191483415 1036390051 /nfs/dbraw/zinc/39/00/51/1036390051.db2.gz PHHHXFRWOGTVAW-OAHLLOKOSA-N 0 0 345.393 3.757 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CC(C)(C)CC(C)=O)C2)cc1 ZINC000191863637 1036450241 /nfs/dbraw/zinc/45/02/41/1036450241.db2.gz CXVQVFHOUPRMPZ-PBHICJAKSA-N 0 0 331.456 3.795 10 0 EHAERN CC(C)(C)OC(=O)CCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000192356937 1036501991 /nfs/dbraw/zinc/50/19/91/1036501991.db2.gz XMBKJDXQVJIBRA-UHFFFAOYSA-N 0 0 333.403 3.563 10 0 EHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000192688632 1036539106 /nfs/dbraw/zinc/53/91/06/1036539106.db2.gz KKLAEZYUCWFPIR-HIFRSBDPSA-N 0 0 326.362 3.739 10 0 EHAERN CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000193293812 1036585853 /nfs/dbraw/zinc/58/58/53/1036585853.db2.gz AEINCQJVQFURJG-RTBURBONSA-N 0 0 342.414 3.879 10 0 EHAERN CSCc1ccc(NC(=O)NCCCc2nc(C(C)C)no2)cc1 ZINC000103292120 1036881042 /nfs/dbraw/zinc/88/10/42/1036881042.db2.gz HUAPTMGPHSSHFB-UHFFFAOYSA-N 0 0 348.472 3.810 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCc2sccc21 ZINC000126027380 1036987464 /nfs/dbraw/zinc/98/74/64/1036987464.db2.gz UJSBWTGKMTWIHK-KBPBESRZSA-N 0 0 344.484 3.534 10 0 EHAERN C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(F)cc1 ZINC000003503807 1037010071 /nfs/dbraw/zinc/01/00/71/1037010071.db2.gz KQRDZOWXSYSSBH-NSHDSACASA-N 0 0 330.384 3.936 10 0 EHAERN CCN(C(=O)COc1ccc(Cl)c2cccnc12)c1cccnc1 ZINC000104401369 1037033500 /nfs/dbraw/zinc/03/35/00/1037033500.db2.gz RGEFJLAMGUJWFG-UHFFFAOYSA-N 0 0 341.798 3.715 10 0 EHAERN CCCNC(=O)c1ccc(NC(=O)c2c(C)noc2CC)cc1Cl ZINC000105370252 1037196015 /nfs/dbraw/zinc/19/60/15/1037196015.db2.gz JFIJNQQQVWHWSA-UHFFFAOYSA-N 0 0 349.818 3.591 10 0 EHAERN O=C(NCc1cccc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000158041878 1037446675 /nfs/dbraw/zinc/44/66/75/1037446675.db2.gz XZDIKUIHFYRPQL-UHFFFAOYSA-N 0 0 334.423 3.652 10 0 EHAERN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-c2ncon2)c1 ZINC000101526361 1037571079 /nfs/dbraw/zinc/57/10/79/1037571079.db2.gz KLSLONDRQLVKTQ-UHFFFAOYSA-N 0 0 347.296 3.937 10 0 EHAERN Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)ccc1F ZINC000103100409 1037588591 /nfs/dbraw/zinc/58/85/91/1037588591.db2.gz WXZAFXDGWAKXJL-OAHLLOKOSA-N 0 0 330.384 3.576 10 0 EHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CCCC(C)(C)C)cc2)n1 ZINC000103386322 1037589100 /nfs/dbraw/zinc/58/91/00/1037589100.db2.gz LCMHXRVQTJEFAQ-UHFFFAOYSA-N 0 0 327.428 3.900 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113891543 1037790358 /nfs/dbraw/zinc/79/03/58/1037790358.db2.gz NZBOXGIYCVDVKX-AWEZNQCLSA-N 0 0 344.465 3.962 10 0 EHAERN O=C1C[C@H](c2nc(-c3ccccc3Cl)no2)c2ccccc2N1 ZINC000113733118 1037791005 /nfs/dbraw/zinc/79/10/05/1037791005.db2.gz MAGGZCPPNKAMFK-LBPRGKRZSA-N 0 0 325.755 3.864 10 0 EHAERN c1[nH]c([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000114481632 1037801052 /nfs/dbraw/zinc/80/10/52/1037801052.db2.gz FEJHPIKZZOLQGH-MRXNPFEDSA-N 0 0 349.438 3.717 10 0 EHAERN O=C(NCc1cc2ccccc2o1)N1CCC[C@H](c2nccs2)C1 ZINC000114824145 1037809315 /nfs/dbraw/zinc/80/93/15/1037809315.db2.gz JODZJYRSFHRITJ-AWEZNQCLSA-N 0 0 341.436 3.979 10 0 EHAERN COCCCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117626934 1037857450 /nfs/dbraw/zinc/85/74/50/1037857450.db2.gz SBVGZGQEVVYJRE-LIRRHRJNSA-N 0 0 341.407 3.605 10 0 EHAERN CCOC(=O)Nc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1 ZINC000117611217 1037857762 /nfs/dbraw/zinc/85/77/62/1037857762.db2.gz SBKUSJKNNNCWJF-YVEFUNNKSA-N 0 0 340.379 3.758 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)Cc3ccc(C)s3)CCO2)o1 ZINC000119961900 1037917373 /nfs/dbraw/zinc/91/73/73/1037917373.db2.gz AFAPRNIWFNDBCE-YVEFUNNKSA-N 0 0 348.468 3.672 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CCc3cc(Cl)ccc32)no1 ZINC000332804070 1037956686 /nfs/dbraw/zinc/95/66/86/1037956686.db2.gz DDPYETODGPGEFM-LSDHHAIUSA-N 0 0 346.818 3.565 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)c2ccccc21 ZINC000124870941 1039068981 /nfs/dbraw/zinc/06/89/81/1039068981.db2.gz CSTFKLHZEZZASA-DJJJIMSYSA-N 0 0 336.435 3.622 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)c2ccccc21 ZINC000124870714 1039069983 /nfs/dbraw/zinc/06/99/83/1039069983.db2.gz CSTFKLHZEZZASA-YJYMSZOUSA-N 0 0 336.435 3.622 10 0 EHAERN CC(=O)NC1(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CCCCC1 ZINC000125051707 1039132146 /nfs/dbraw/zinc/13/21/46/1039132146.db2.gz BXBVCNALEIIKIO-KDOFPFPSSA-N 0 0 328.456 3.580 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)N3CCCO[C@@H](C)C3)cc2s1 ZINC000408404968 1039274445 /nfs/dbraw/zinc/27/44/45/1039274445.db2.gz PSLNZLXJVBRJEA-VIFPVBQESA-N 0 0 339.848 3.901 10 0 EHAERN Cc1ccc2c(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)coc2c1C ZINC000151079971 1039725552 /nfs/dbraw/zinc/72/55/52/1039725552.db2.gz VXBDHMOMPBTCBF-LAUBAEHRSA-N 0 0 341.451 3.746 10 0 EHAERN CC(C)[C@@H]1C[C@H](NC(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 ZINC000408089931 1040007792 /nfs/dbraw/zinc/00/77/92/1040007792.db2.gz KVBGXOGHZNKTHK-NJAFHUGGSA-N 0 0 334.435 3.706 10 0 EHAERN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332673868 1040103689 /nfs/dbraw/zinc/10/36/89/1040103689.db2.gz ASNCKKWYDYYVDV-RMRDIRSESA-N 0 0 348.874 3.533 10 0 EHAERN C[C@]1(NC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000332861957 1040154677 /nfs/dbraw/zinc/15/46/77/1040154677.db2.gz LBYADFYHSHIZJW-NHIYQJMISA-N 0 0 348.409 3.612 10 0 EHAERN C[C@H]1OCC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000332884513 1040159376 /nfs/dbraw/zinc/15/93/76/1040159376.db2.gz OVLAAVKNGKIPRA-CGEWXTDFSA-N 0 0 343.254 3.716 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000332926073 1040187898 /nfs/dbraw/zinc/18/78/98/1040187898.db2.gz KBZHWYZBAPECCY-NTLWEQJWSA-N 0 0 342.483 3.578 10 0 EHAERN O=C(NC[C@H]1CCC2(CCCCC2)O1)N[C@H]1CCOc2ccccc21 ZINC000332954177 1040219551 /nfs/dbraw/zinc/21/95/51/1040219551.db2.gz ZAMOCYTXDVXRJV-WBVHZDCISA-N 0 0 344.455 3.691 10 0 EHAERN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cn(C)nc1C ZINC000189690085 1040279533 /nfs/dbraw/zinc/27/95/33/1040279533.db2.gz HZDAJFGXKFAIRM-SJLPKXTDSA-N 0 0 326.444 3.919 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000408441243 1040669567 /nfs/dbraw/zinc/66/95/67/1040669567.db2.gz DKJWPLGAGULNFP-UHFFFAOYSA-N 0 0 343.471 3.967 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cs1 ZINC000333034997 1041081976 /nfs/dbraw/zinc/08/19/76/1041081976.db2.gz UKIXREGBNOVRON-MFKMUULPSA-N 0 0 349.460 3.566 10 0 EHAERN CC(C)c1nnc2ccc(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@@H]43)cn21 ZINC000333169717 1041396020 /nfs/dbraw/zinc/39/60/20/1041396020.db2.gz JCHKCYIPOWJJMB-CABCVRRESA-N 0 0 341.459 3.895 10 0 EHAERN CC1(C)CC[C@@H]2C[C@@H](NC(=O)N3CC[C@@H](CCO)C3)c3cccc1c32 ZINC000408120381 1041724524 /nfs/dbraw/zinc/72/45/24/1041724524.db2.gz GICYDICWFTVTTM-HDMKZQKVSA-N 0 0 342.483 3.700 10 0 EHAERN CC1(C)CC[C@@H]2C[C@H](NC(=O)N3CC[C@@H](CCO)C3)c3cccc1c32 ZINC000408120380 1041724865 /nfs/dbraw/zinc/72/48/65/1041724865.db2.gz GICYDICWFTVTTM-DAYGRLMNSA-N 0 0 342.483 3.700 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c2ccccc21 ZINC000153062422 1041797813 /nfs/dbraw/zinc/79/78/13/1041797813.db2.gz UPEJRQRBSWDVMU-JZOCTASASA-N 0 0 336.435 3.583 10 0 EHAERN Cc1cc(C)c(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)[nH]1 ZINC000408153199 1041878990 /nfs/dbraw/zinc/87/89/90/1041878990.db2.gz IYVHQBXJBKKKJC-AWEZNQCLSA-N 0 0 330.432 3.895 10 0 EHAERN COc1cc2c(cc1F)ncnc2N1CCCC[C@@H]1c1nccs1 ZINC000302565307 1041958126 /nfs/dbraw/zinc/95/81/26/1041958126.db2.gz NBSIFSSXWMWUIF-CQSZACIVSA-N 0 0 344.415 3.966 10 0 EHAERN Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)c(Cl)cc1F ZINC000162522671 1042732819 /nfs/dbraw/zinc/73/28/19/1042732819.db2.gz MDXOESWYVPNMKV-UHFFFAOYSA-N 0 0 349.837 3.616 10 0 EHAERN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330302507 1042865572 /nfs/dbraw/zinc/86/55/72/1042865572.db2.gz JNGTTXJIZKNPAQ-VBQJREDUSA-N 0 0 326.444 3.725 10 0 EHAERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@H](C2CCOCC2)C1 ZINC000408253989 1042869645 /nfs/dbraw/zinc/86/96/45/1042869645.db2.gz BETGCVYGGQAOHQ-NSHDSACASA-N 0 0 344.242 3.669 10 0 EHAERN COc1ccc([C@H](C)NCc2nc(-c3ccccc3)no2)cc1F ZINC000102699824 1127766699 /nfs/dbraw/zinc/76/66/99/1127766699.db2.gz VFXCFSOVRPFOCR-LBPRGKRZSA-N 0 0 327.359 3.735 10 0 EHAERN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(C(F)(F)F)o1 ZINC000282317314 1128901335 /nfs/dbraw/zinc/90/13/35/1128901335.db2.gz YJPHIDWULNVCPN-IACUBPJLSA-N 0 0 345.361 3.763 10 0 EHAERN Cc1ccc(/C=C\CC(=O)N2CCCCC[C@H]2c2ncon2)cc1 ZINC000588433492 1129450682 /nfs/dbraw/zinc/45/06/82/1129450682.db2.gz MZBNPHMYLSHBQN-OSJSJHBBSA-N 0 0 325.412 3.925 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cncc(OC(C)C)c2)cs1 ZINC000187052466 1132428215 /nfs/dbraw/zinc/42/82/15/1132428215.db2.gz PXKBYWMXJIXJMY-INIZCTEOSA-N 0 0 331.441 3.611 10 0 EHAERN CCN(C)C(=O)c1cccc(C(=O)O[C@H](C)Cc2ccccc2)c1 ZINC000103806671 1133548970 /nfs/dbraw/zinc/54/89/70/1133548970.db2.gz AYKANMODWRNFDC-OAHLLOKOSA-N 0 0 325.408 3.567 10 0 EHAERN CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000102046258 1135445796 /nfs/dbraw/zinc/44/57/96/1135445796.db2.gz XOYMDUKFJXGGEY-UHFFFAOYSA-N 0 0 342.201 3.869 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000104458279 1135816636 /nfs/dbraw/zinc/81/66/36/1135816636.db2.gz GMUPLPJYTAWRKK-UHFFFAOYSA-N 0 0 327.211 3.645 10 0 EHAERN CCC[C@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1 ZINC000105765462 1135975473 /nfs/dbraw/zinc/97/54/73/1135975473.db2.gz CGTSOWKALVYBHM-MSOLQXFVSA-N 0 0 329.440 3.720 10 0 EHAERN CC[C@@H](COC(=O)CN(C)C(=O)c1cccs1)c1ccccc1 ZINC000105775020 1135976324 /nfs/dbraw/zinc/97/63/24/1135976324.db2.gz KBHXHTOXYJDWNB-AWEZNQCLSA-N 0 0 331.437 3.557 10 0 EHAERN CC[C@H](COC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 ZINC000105775472 1135976421 /nfs/dbraw/zinc/97/64/21/1135976421.db2.gz DTDJTVRZMCRATO-MRXNPFEDSA-N 0 0 346.448 3.582 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000102606952 1137873470 /nfs/dbraw/zinc/87/34/70/1137873470.db2.gz BJPZCMFWRDOLNR-UHFFFAOYSA-N 0 0 334.460 3.823 10 0 EHAERN COC(=O)CSCc1cccc(NC(=O)Cc2ccc(C)s2)c1 ZINC000103051475 1137875007 /nfs/dbraw/zinc/87/50/07/1137875007.db2.gz IWDHMPGNHLBVEA-UHFFFAOYSA-N 0 0 349.477 3.644 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000103187619 1137875366 /nfs/dbraw/zinc/87/53/66/1137875366.db2.gz XXAMYPWATWPMIE-CYBMUJFWSA-N 0 0 332.831 3.896 10 0 EHAERN CN(C[C@H]1CCCO1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000105598892 1137881313 /nfs/dbraw/zinc/88/13/13/1137881313.db2.gz OXAYLNMLHSYCTK-SNVBAGLBSA-N 0 0 327.211 3.726 10 0 EHAERN Cc1c(N[C@@H]2COC(C)(C)C2)cccc1-c1nnc2n1CCCCC2 ZINC000333374722 1138282682 /nfs/dbraw/zinc/28/26/82/1138282682.db2.gz MYUUCVKBGJAIQV-HNNXBMFYSA-N 0 0 340.471 3.959 10 0 EHAERN Cc1noc([C@@H]2CCCCN2C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000334065902 1138367065 /nfs/dbraw/zinc/36/70/65/1138367065.db2.gz DCYGWXMQFPXGKO-ULQDDVLXSA-N 0 0 346.475 3.831 10 0 EHAERN CCCCOc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000184556078 1140108715 /nfs/dbraw/zinc/10/87/15/1140108715.db2.gz SEIVGYJBZIIOKO-INIZCTEOSA-N 0 0 343.431 3.743 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCCOc2ccccc2)cs1 ZINC000186146158 1140188966 /nfs/dbraw/zinc/18/89/66/1140188966.db2.gz ZLCDVAJPZWZRCB-KRWDZBQOSA-N 0 0 345.468 3.767 10 0 EHAERN COC(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189222409 1140328149 /nfs/dbraw/zinc/32/81/49/1140328149.db2.gz FLMIYLHZLAQQEM-HNNXBMFYSA-N 0 0 345.424 3.607 10 0 EHAERN COc1ccccc1CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189375207 1140339734 /nfs/dbraw/zinc/33/97/34/1140339734.db2.gz IFCCRURYLWFMLL-HNNXBMFYSA-N 0 0 331.441 3.507 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)cs1 ZINC000189838554 1140367160 /nfs/dbraw/zinc/36/71/60/1140367160.db2.gz UHOZXLZTAITJNP-ZDUSSCGKSA-N 0 0 332.454 3.900 10 0 EHAERN O=C1CO[C@@H](COc2cccc3ccccc32)CN1c1ccccc1 ZINC000098180937 219086293 /nfs/dbraw/zinc/08/62/93/219086293.db2.gz CZOOJTOJVNOVHZ-GOSISDBHSA-N 0 0 333.387 3.651 10 0 EHAERN O=c1c2sccc2[n-]c(=S)n1Cc1ccccc1C(F)(F)F ZINC000100090756 219090521 /nfs/dbraw/zinc/09/05/21/219090521.db2.gz CEBOYVYNSUYLLU-UHFFFAOYSA-N 0 0 342.367 3.814 10 0 EHAERN O=c1c2nc(-c3cccs3)cn2ccn1-c1ccc(Cl)cc1 ZINC000064675423 214800335 /nfs/dbraw/zinc/80/03/35/214800335.db2.gz JYSFWASGXGFODU-UHFFFAOYSA-N 0 0 327.796 3.867 10 0 EHAERN CCN1c2cc(C(=O)NC3CC3)ccc2Sc2ccccc2C1=O ZINC000003060482 209958805 /nfs/dbraw/zinc/95/88/05/209958805.db2.gz LOWYRLQSFXZIAI-UHFFFAOYSA-N 0 0 338.432 3.710 10 0 EHAERN O=C(c1sccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000104291420 219370584 /nfs/dbraw/zinc/37/05/84/219370584.db2.gz FLJIDUCMPLPAMF-UHFFFAOYSA-N 0 0 336.210 3.626 10 0 EHAERN Cc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1N ZINC000040781259 213385633 /nfs/dbraw/zinc/38/56/33/213385633.db2.gz ASCBLYAXRIFDEL-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)c2cc3ccc(F)cc3n2C)cc1 ZINC000040789193 213386544 /nfs/dbraw/zinc/38/65/44/213386544.db2.gz FYYSJIJNNCERPM-UHFFFAOYSA-N 0 0 325.343 3.528 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2cccc3ncccc32)c1N ZINC000040758140 213383252 /nfs/dbraw/zinc/38/32/52/213383252.db2.gz NQFUCCUMHYQFQW-UHFFFAOYSA-N 0 0 343.394 3.798 10 0 EHAERN Nc1c(Nc2cccc3cccnc32)ncnc1N1CCCCCC1 ZINC000040725453 213376545 /nfs/dbraw/zinc/37/65/45/213376545.db2.gz YYDIHOBOTLPJQL-UHFFFAOYSA-N 0 0 334.427 3.731 10 0 EHAERN Cc1cccc2sc(Nc3ncnc(NC(C)(C)C)c3N)nc21 ZINC000040680610 213367698 /nfs/dbraw/zinc/36/76/98/213367698.db2.gz DSYBFQBULULGAO-UHFFFAOYSA-N 0 0 328.445 3.931 10 0 EHAERN COc1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000040311941 213291436 /nfs/dbraw/zinc/29/14/36/213291436.db2.gz DJEOZFFARQNHGA-UHFFFAOYSA-N 0 0 335.285 3.843 10 0 EHAERN CCCCn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 ZINC000040279752 213287244 /nfs/dbraw/zinc/28/72/44/213287244.db2.gz USNABIFKODEHIL-UHFFFAOYSA-N 0 0 337.423 3.775 10 0 EHAERN CC(C)Cn1c(CCNC(=O)c2cccs2)nc2ccccc21 ZINC000040199126 213281057 /nfs/dbraw/zinc/28/10/57/213281057.db2.gz HTBIZZWXZAIUHO-UHFFFAOYSA-N 0 0 327.453 3.726 10 0 EHAERN CC[C@H](C)C[C@](CC)(Nc1ccc(Br)cc1)C(N)=O ZINC000037944190 213175372 /nfs/dbraw/zinc/17/53/72/213175372.db2.gz CLMFHQDVFTZPSW-NHYWBVRUSA-N 0 0 327.266 3.931 10 0 EHAERN NC(=O)[C@@H](Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000037944052 213175130 /nfs/dbraw/zinc/17/51/30/213175130.db2.gz ZXMNDDIZNMSIIN-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN NC(=O)[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000037944257 213174772 /nfs/dbraw/zinc/17/47/72/213174772.db2.gz XTFKNMINEWBTFY-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN COc1cccc(-c2cncc(C(=O)NCc3ccc(F)cc3)c2)c1 ZINC000036346987 213085739 /nfs/dbraw/zinc/08/57/39/213085739.db2.gz ZUMFPLBXMWFGOG-UHFFFAOYSA-N 0 0 336.366 3.826 10 0 EHAERN Cc1cccc(CO[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000036314771 213082971 /nfs/dbraw/zinc/08/29/71/213082971.db2.gz YEONVAFOZIZEFY-IBGZPJMESA-N 0 0 327.399 3.956 10 0 EHAERN COc1ccc(OC)c(-c2cc(CN(C(=O)C3CC3)C(C)C)no2)c1 ZINC000036011879 213055317 /nfs/dbraw/zinc/05/53/17/213055317.db2.gz HUVCSSFWPWYZND-UHFFFAOYSA-N 0 0 344.411 3.506 10 0 EHAERN Cc1cc(Br)nc(Br)c1Br ZINC000035653825 213044179 /nfs/dbraw/zinc/04/41/79/213044179.db2.gz YNGCAVXRNVZFIJ-UHFFFAOYSA-N 0 0 329.817 3.678 10 0 EHAERN CC(C)Cn1ccc2cc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)ccc21 ZINC000072079749 216004114 /nfs/dbraw/zinc/00/41/14/216004114.db2.gz FQEGWMUACRGWNU-GJZGRUSLSA-N 0 0 329.444 3.938 10 0 EHAERN O=C1CC2(CCCCCC2)C(=O)N1c1ncc(Br)s1 ZINC000037437545 213147221 /nfs/dbraw/zinc/14/72/21/213147221.db2.gz GIZHFLNNUAJXSW-UHFFFAOYSA-N 0 0 343.246 3.510 10 0 EHAERN CCCCc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)cc1 ZINC000072465115 216246608 /nfs/dbraw/zinc/24/66/08/216246608.db2.gz XDBRBHTTWWPNMB-UHFFFAOYSA-N 0 0 338.455 3.980 10 0 EHAERN Cc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2C)c(C)c1 ZINC000072465023 216246661 /nfs/dbraw/zinc/24/66/61/216246661.db2.gz ZDUGWCJHUQSCMI-UHFFFAOYSA-N 0 0 338.455 3.890 10 0 EHAERN Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000022172195 212280610 /nfs/dbraw/zinc/28/06/10/212280610.db2.gz CSVPSLBTIXKIRU-NSHDSACASA-N 0 0 349.228 3.746 10 0 EHAERN COc1cc(SC(=O)N(C)C)c(C(=O)c2ccccc2)cc1OC ZINC000215761352 241142105 /nfs/dbraw/zinc/14/21/05/241142105.db2.gz RHLWRSIGAIQWAZ-UHFFFAOYSA-N 0 0 345.420 3.709 10 0 EHAERN O=C(N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1cnc(Cl)c(Cl)c1 ZINC000216572311 241201116 /nfs/dbraw/zinc/20/11/16/241201116.db2.gz GNVFBPHFBIZNII-YSUWEYJASA-N 0 0 325.239 3.943 10 0 EHAERN CCn1ncc(CN(C)Cc2cnc(C3CCCCC3)nc2)c1C ZINC000215544225 241131378 /nfs/dbraw/zinc/13/13/78/241131378.db2.gz JZANWRNAUYQLJE-UHFFFAOYSA-N 0 0 327.476 3.681 10 0 EHAERN Cc1cccc(C)c1NC(=O)[C@H](C)N1c2ccccc2CCCC1=O ZINC000021870838 212256877 /nfs/dbraw/zinc/25/68/77/212256877.db2.gz VVHHYFFMZBLDLU-INIZCTEOSA-N 0 0 336.435 4.000 10 0 EHAERN Cc1ccccc1-c1noc(-c2cccnc2NC[C@H]2CCCO2)n1 ZINC000021787734 212250852 /nfs/dbraw/zinc/25/08/52/212250852.db2.gz BGZFHKXIIQOOGQ-CQSZACIVSA-N 0 0 336.395 3.698 10 0 EHAERN COc1ccc(-c2noc(NCc3ccc(F)cc3)n2)cc1OC ZINC000021529602 212228975 /nfs/dbraw/zinc/22/89/75/212228975.db2.gz UGVIHTCSUQLJEP-UHFFFAOYSA-N 0 0 329.331 3.505 10 0 EHAERN Cc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C(C)(C)C)o1 ZINC000230164302 242242150 /nfs/dbraw/zinc/24/21/50/242242150.db2.gz XJEYDIQOHBTAIW-KMFMINBZSA-N 0 0 335.492 3.657 10 0 EHAERN CCC(CC)C(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000021125191 212209852 /nfs/dbraw/zinc/20/98/52/212209852.db2.gz XNAGKAKLIXSHCM-UHFFFAOYSA-N 0 0 336.391 3.862 10 0 EHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1c(C)cc(Br)cc1C ZINC000020420380 212128309 /nfs/dbraw/zinc/12/83/09/212128309.db2.gz SMHVPYSYPBJFNG-VXGBXAGGSA-N 0 0 327.266 3.781 10 0 EHAERN Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1Cl ZINC000020343288 212121438 /nfs/dbraw/zinc/12/14/38/212121438.db2.gz YHUXQMSNLCKQNP-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)c1 ZINC000020373488 212123343 /nfs/dbraw/zinc/12/33/43/212123343.db2.gz NPOLQFVGQLBBGS-CYBMUJFWSA-N 0 0 344.361 3.573 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1cc(Br)ccc1F ZINC000019874497 212078933 /nfs/dbraw/zinc/07/89/33/212078933.db2.gz VVKVCJKHOJLJRL-UHFFFAOYSA-N 0 0 349.203 3.763 10 0 EHAERN NC(=S)c1cccc(OCc2ccc(F)cc2Br)c1 ZINC000019429005 212027225 /nfs/dbraw/zinc/02/72/25/212027225.db2.gz AIVMEGHBPRQFKC-UHFFFAOYSA-N 0 0 340.217 3.801 10 0 EHAERN O=C(Nc1ccc(C2=NN[C@@H](c3ccco3)C2)cc1)c1ccccc1 ZINC000090624307 217945940 /nfs/dbraw/zinc/94/59/40/217945940.db2.gz KCOWDKCCQHNORJ-GOSISDBHSA-N 0 0 331.375 3.971 10 0 EHAERN COC(=O)n1c(Br)c(Br)c2ccccc21 ZINC000090514459 217935026 /nfs/dbraw/zinc/93/50/26/217935026.db2.gz IVFJAMODRVSZEH-UHFFFAOYSA-N 0 0 332.979 3.781 10 0 EHAERN CC(C)(C)Nc1c([C@@H]2CCCN(C(=O)C3CC3)C2)nc2ccccn21 ZINC000012129372 211299296 /nfs/dbraw/zinc/29/92/96/211299296.db2.gz ASBCSXKXCQTXQA-OAHLLOKOSA-N 0 0 340.471 3.661 10 0 EHAERN O=C(CNc1cc(F)ccc1F)Nc1cccc(Br)c1 ZINC000011621827 211228185 /nfs/dbraw/zinc/22/81/85/211228185.db2.gz QRWKWFVZEXHIFV-UHFFFAOYSA-N 0 0 341.155 3.778 10 0 EHAERN OC[C@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000095078503 218273723 /nfs/dbraw/zinc/27/37/23/218273723.db2.gz YSHARLMNPMEWLF-QGZVFWFLSA-N 0 0 339.414 3.575 10 0 EHAERN OC[C@H]1CCCCN1c1nc2ccccc2n1Cc1ccccc1F ZINC000095078509 218273890 /nfs/dbraw/zinc/27/38/90/218273890.db2.gz JZOXMSNXBGNUCP-MRXNPFEDSA-N 0 0 339.414 3.575 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nc3ccccc3[nH]2)C1 ZINC000095085171 218276366 /nfs/dbraw/zinc/27/63/66/218276366.db2.gz IGDDLGXGZZOUAD-AWEZNQCLSA-N 0 0 345.443 3.979 10 0 EHAERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2[nH]1 ZINC000095075176 218272913 /nfs/dbraw/zinc/27/29/13/218272913.db2.gz PHPCTNZELVIRRG-AWEZNQCLSA-N 0 0 344.459 3.646 10 0 EHAERN C[C@H](c1nccs1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089112 218279109 /nfs/dbraw/zinc/27/91/09/218279109.db2.gz DBMXMOHABMGRAU-CHWSQXEVSA-N 0 0 325.478 3.583 10 0 EHAERN CC(=O)Nc1ccc(SCc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000097603241 219039988 /nfs/dbraw/zinc/03/99/88/219039988.db2.gz HEROXHULCVPONM-UHFFFAOYSA-N 0 0 328.437 3.639 10 0 EHAERN CC(C)(C)OC(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC000521399452 257928719 /nfs/dbraw/zinc/92/87/19/257928719.db2.gz JHGYSADJWWUTJH-UHFFFAOYSA-N 0 0 326.234 3.859 10 0 EHAERN CC(C)(C)c1cc(Br)ccc1OCC1N=NC(=S)N1 ZINC000026473637 518989881 /nfs/dbraw/zinc/98/98/81/518989881.db2.gz HOTYOPBDKMMYNH-UHFFFAOYSA-N 0 0 342.262 3.732 10 0 EHAERN O=C(CCC(=O)c1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 ZINC000031578610 526384501 /nfs/dbraw/zinc/38/45/01/526384501.db2.gz AHPKZQWTGPMEOE-MRXNPFEDSA-N 0 0 343.810 3.943 10 0 EHAERN CN(c1cncc(C(F)(F)F)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000211620188 536301373 /nfs/dbraw/zinc/30/13/73/536301373.db2.gz CWFIIGKZWCWBIX-GFCCVEGCSA-N 0 0 345.365 3.546 10 0 EHAERN Cc1cc(N2CCC[C@@H](C(=O)C(C)C)C2=O)ccc1Br ZINC000536951720 564091726 /nfs/dbraw/zinc/09/17/26/564091726.db2.gz ZLJCOALQYDXCBW-ZDUSSCGKSA-N 0 0 338.245 3.726 10 0 EHAERN CCCC(=O)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135776 563745642 /nfs/dbraw/zinc/74/56/42/563745642.db2.gz SBHLRXQNLDRESH-OAHLLOKOSA-N 0 0 327.403 3.789 10 0 EHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1cnc(Cl)s1)CCCC2 ZINC000276144186 563984328 /nfs/dbraw/zinc/98/43/28/563984328.db2.gz ZBZQIAZQROPNNF-CQSZACIVSA-N 0 0 336.892 3.746 10 0 EHAERN CC1(C)CCc2c(cc3occ(-c4ccc(O)cc4)c(O)c-3c2=O)O1 ZINC000013311953 564073815 /nfs/dbraw/zinc/07/38/15/564073815.db2.gz BNPMTCOAGXAAIT-UHFFFAOYSA-N 0 0 338.359 3.975 10 0 biogenic EHAERN Cc1nc(NC(=O)[C@H]2CSCCS2)c(-c2ccccc2)s1 ZINC000170595459 564109046 /nfs/dbraw/zinc/10/90/46/564109046.db2.gz SNZZFIACISQZBI-GFCCVEGCSA-N 0 0 336.507 3.906 10 0 EHAERN Fc1cccc(-c2c(I)[nH]nc2C(F)F)c1 ZINC000675076205 564113326 /nfs/dbraw/zinc/11/33/26/564113326.db2.gz KKFLTFDABQBKPD-UHFFFAOYSA-N 0 0 338.070 3.758 10 0 EHAERN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=N\NC(N)=O ZINC000032107442 564129147 /nfs/dbraw/zinc/12/91/47/564129147.db2.gz OLVNUQADQLZYCL-VCNTULORSA-N 0 0 343.471 3.543 10 0 EHAERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1cccc(C(F)(F)F)c1 ZINC000003258178 564156669 /nfs/dbraw/zinc/15/66/69/564156669.db2.gz CANFUUPRTXUJTP-UHFFFAOYSA-N 0 0 336.273 3.519 10 0 EHAERN O=C([O-])c1cc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)cs1 ZINC000689090014 976216700 /nfs/dbraw/zinc/21/67/00/976216700.db2.gz UFGLPDIIRCVTGB-KRWDZBQOSA-N 0 0 344.480 3.591 10 0 EHAERN O=C([O-])C1CCC([NH2+]CC2(CCOCc3ccccc3)CC2)CC1 ZINC000702892130 977132257 /nfs/dbraw/zinc/13/22/57/977132257.db2.gz VCWGLQXMXSOPMY-UHFFFAOYSA-N 0 0 331.456 3.607 10 0 EHAERN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000706446682 977323371 /nfs/dbraw/zinc/32/33/71/977323371.db2.gz FTSCMSCKYIGWQD-AWEZNQCLSA-N 0 0 346.652 3.789 10 0 EHAERN O=C([O-])c1cccc(C[NH2+]CCc2sccc2Br)c1 ZINC000713058679 977630154 /nfs/dbraw/zinc/63/01/54/977630154.db2.gz AOFKDMAAMQBJIH-UHFFFAOYSA-N 0 0 340.242 3.541 10 0 EHAERN O=C([O-])c1cccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716654064 977851605 /nfs/dbraw/zinc/85/16/05/977851605.db2.gz DWHVIDDGXBEQNX-VDGAXYAQSA-N 0 0 336.435 3.850 10 0 EHAERN C[C@@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)[C@@H](C)CO1 ZINC000245948151 1015523197 /nfs/dbraw/zinc/52/31/97/1015523197.db2.gz KVAVMUZHECQWHJ-UXLLHSPISA-N 0 0 344.455 3.642 10 0 EHAERN O=C(Nc1cccc2c1CCCC2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000152185749 1016070133 /nfs/dbraw/zinc/07/01/33/1016070133.db2.gz BAOHUWFGXDKXTN-OXQOHEQNSA-N 0 0 328.456 3.724 10 0 EHAERN CCCCc1noc([C@H](C)N2CCC(Oc3ccc(C)cn3)CC2)n1 ZINC000182841533 1032142016 /nfs/dbraw/zinc/14/20/16/1032142016.db2.gz XGUOFIARFBZANZ-HNNXBMFYSA-N 0 0 344.459 3.720 10 0 EHAERN CC(C)(C)c1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cs1 ZINC000407965974 1016530579 /nfs/dbraw/zinc/53/05/79/1016530579.db2.gz XMVJGTXTDZFNRC-CFVMTHIKSA-N 0 0 336.501 3.596 10 0 EHAERN C[C@@H](CC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)C(C)(C)C ZINC000108771547 1016634624 /nfs/dbraw/zinc/63/46/24/1016634624.db2.gz LAMBRPADWOYQFD-JKSUJKDBSA-N 0 0 346.519 3.783 10 0 EHAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000408000214 1016826345 /nfs/dbraw/zinc/82/63/45/1016826345.db2.gz ZZAVDGDLYFPFFM-ZRSRNVLSSA-N 0 0 348.531 3.793 10 0 EHAERN CCC[C@@H]1C[C@@H](C(=O)N2CCC(c3nc(C)cs3)CC2)CCO1 ZINC000183597086 1032210217 /nfs/dbraw/zinc/21/02/17/1032210217.db2.gz RIUFFCMDFJUWOR-JKSUJKDBSA-N 0 0 336.501 3.753 10 0 EHAERN NC(=O)c1c(F)cccc1OCc1ncc(-c2ccccc2Cl)o1 ZINC000183963351 1032216979 /nfs/dbraw/zinc/21/69/79/1032216979.db2.gz UZECPDFKQJREEI-UHFFFAOYSA-N 0 0 346.745 3.812 10 0 EHAERN C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cccc2c1OCC[C@@H]2O ZINC000184574724 1032299985 /nfs/dbraw/zinc/29/99/85/1032299985.db2.gz PSAFQDWEDMTHCW-GUYCJALGSA-N 0 0 341.407 3.664 10 0 EHAERN CC(C)c1nc(CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)cs1 ZINC000248747518 1032336539 /nfs/dbraw/zinc/33/65/39/1032336539.db2.gz DYJVPLRBXZMHNQ-PBKGOJFUSA-N 0 0 335.473 3.513 10 0 EHAERN Cc1nc(-c2cccc(C(=O)N3CCCC4(CCCCC4)C3)c2)n[nH]1 ZINC000081720759 1032347989 /nfs/dbraw/zinc/34/79/89/1032347989.db2.gz UMDYRABZFXXXFT-UHFFFAOYSA-N 0 0 338.455 3.967 10 0 EHAERN CCC[C@@H](C)CC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185520723 1032439003 /nfs/dbraw/zinc/43/90/03/1032439003.db2.gz XGUNVPWYMIHCQZ-ACJLOTCBSA-N 0 0 334.435 3.562 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)CCCC(C)(C)C)c2ccc(F)cc2C1 ZINC000185544124 1032440562 /nfs/dbraw/zinc/44/05/62/1032440562.db2.gz QZKQVGQGKXFFKH-GOSISDBHSA-N 0 0 348.462 3.952 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000176146167 1017313648 /nfs/dbraw/zinc/31/36/48/1017313648.db2.gz VBXVOHUIAYQUDH-HUUCEWRRSA-N 0 0 343.452 3.904 10 0 EHAERN CC(C)c1ccc(CCCNC(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000081756519 1032664737 /nfs/dbraw/zinc/66/47/37/1032664737.db2.gz DCZRKZVIVZNTMZ-SFHVURJKSA-N 0 0 325.456 3.633 10 0 EHAERN C[C@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)c1cccs1 ZINC000176421024 1017369882 /nfs/dbraw/zinc/36/98/82/1017369882.db2.gz WQQLFVHLDXSYFB-KBPBESRZSA-N 0 0 344.484 3.533 10 0 EHAERN COC(=O)C[C@H](C)SCc1noc(-c2ccccc2Cl)n1 ZINC000078815842 1018043129 /nfs/dbraw/zinc/04/31/29/1018043129.db2.gz JETPCXQUKYJBNB-VIFPVBQESA-N 0 0 326.805 3.575 10 0 EHAERN CCCCOCC(=O)N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000377794941 1018390144 /nfs/dbraw/zinc/39/01/44/1018390144.db2.gz NVDBUADJZVYMKR-FQEVSTJZSA-N 0 0 338.407 3.850 10 0 EHAERN Cc1nc(CC(C)C)oc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000408057691 1018523365 /nfs/dbraw/zinc/52/33/65/1018523365.db2.gz YIHFVRYTYKNFEO-RZQQEMMASA-N 0 0 348.487 3.727 10 0 EHAERN C[C@H]1CCCC[C@@H]1c1noc(C2CN(C(=O)C3CCCCC3)C2)n1 ZINC000333373845 1019425812 /nfs/dbraw/zinc/42/58/12/1019425812.db2.gz AATAVHUIBUZHPF-BBRMVZONSA-N 0 0 331.460 3.869 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333497164 1019783072 /nfs/dbraw/zinc/78/30/72/1019783072.db2.gz JTVTUZOQZDQLQM-JJUQKUTHSA-N 0 0 336.439 3.977 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)c1c(Cl)ccc(F)c1Cl ZINC000093372104 1032933279 /nfs/dbraw/zinc/93/32/79/1032933279.db2.gz UIFQEKXOGBIRQG-PTRXPTGYSA-N 0 0 349.233 3.606 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000246452824 1020941122 /nfs/dbraw/zinc/94/11/22/1020941122.db2.gz CXTBEXHACSLUMF-KYJSFNMBSA-N 0 0 330.472 3.550 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000246487192 1021124815 /nfs/dbraw/zinc/12/48/15/1021124815.db2.gz RJBFHWFXQIMFMM-GRYCIOLGSA-N 0 0 330.354 3.630 10 0 EHAERN Cc1nc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c(C)o1 ZINC000293292139 1022222145 /nfs/dbraw/zinc/22/21/45/1022222145.db2.gz IDGHEJRIOPDXIQ-HNNXBMFYSA-N 0 0 326.396 3.858 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCCC[C@@H]1C(C)C)C2 ZINC000112748727 1022331115 /nfs/dbraw/zinc/33/11/15/1022331115.db2.gz GNPGHDUJVIKKMV-CVEARBPZSA-N 0 0 346.519 3.826 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128030242 1022407297 /nfs/dbraw/zinc/40/72/97/1022407297.db2.gz WZPDPPUAUHPWPH-BLLLJJGKSA-N 0 0 345.336 3.612 10 0 EHAERN O=C(c1csc(-c2cccs2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128044166 1022408597 /nfs/dbraw/zinc/40/85/97/1022408597.db2.gz FQTOOYPTKYYPQW-SJKOYZFVSA-N 0 0 348.493 3.639 10 0 EHAERN O=C(/C=C\c1ccncn1)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000588438833 1022446807 /nfs/dbraw/zinc/44/68/07/1022446807.db2.gz AUPAOKGUMBRTCI-PLNGDYQASA-N 0 0 341.754 3.542 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@H](C)c2cc3ccccc3o2)[nH]1 ZINC000328668980 1022458111 /nfs/dbraw/zinc/45/81/11/1022458111.db2.gz DXNZYERECKSMIE-IUODEOHRSA-N 0 0 338.411 3.717 10 0 EHAERN COc1c(C)cc(CN(C)CC(=O)Nc2ccccc2F)cc1C ZINC000101566487 1022511365 /nfs/dbraw/zinc/51/13/65/1022511365.db2.gz YGRCWNQTCDZKDT-UHFFFAOYSA-N 0 0 330.403 3.522 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C2CC2)n1 ZINC000328914112 1022544241 /nfs/dbraw/zinc/54/42/41/1022544241.db2.gz PZVXOMVIALKKSC-NUTKFTJISA-N 0 0 340.427 3.593 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000125000795 1022598564 /nfs/dbraw/zinc/59/85/64/1022598564.db2.gz IGXXDSAVGLKEOO-UHFFFAOYSA-N 0 0 327.428 3.591 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C)c1 ZINC000101735256 1022687038 /nfs/dbraw/zinc/68/70/38/1022687038.db2.gz MERQTZSHJPBAFQ-INIZCTEOSA-N 0 0 345.487 3.708 10 0 EHAERN CCOC(=O)c1cc(C)sc1NC(=O)/C=C\c1ncccc1C ZINC000588451863 1023020109 /nfs/dbraw/zinc/02/01/09/1023020109.db2.gz CFBTZWUFVAEMKW-FPLPWBNLSA-N 0 0 330.409 3.589 10 0 EHAERN Cc1cccc(Cn2nccc2NC(=O)/C=C\c2ncccc2C)c1 ZINC000588451854 1023020778 /nfs/dbraw/zinc/02/07/78/1023020778.db2.gz NCTWYUWVPDENIT-HJWRWDBZSA-N 0 0 332.407 3.595 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000588451821 1023021308 /nfs/dbraw/zinc/02/13/08/1023021308.db2.gz QLTFFBJKDMOTAI-SEYXRHQNSA-N 0 0 344.418 3.716 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1cnc(-c2cccs2)o1 ZINC000588453241 1023027142 /nfs/dbraw/zinc/02/71/42/1023027142.db2.gz GWRSXETWVAKZBA-SREVYHEPSA-N 0 0 326.377 3.863 10 0 EHAERN Cc1c(C(=O)N[C@H]2CCCc3c(O)cccc32)oc2c1C(=O)CCC2 ZINC000190221980 1023179963 /nfs/dbraw/zinc/17/99/63/1023179963.db2.gz ZBKJHWQFIRXGOT-AWEZNQCLSA-N 0 0 339.391 3.620 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CCO)c1ccc(C(C)(C)C)cc1 ZINC000190347300 1023278059 /nfs/dbraw/zinc/27/80/59/1023278059.db2.gz ZPABNKABLATYIO-LESCRADOSA-N 0 0 332.488 3.895 10 0 EHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247007140 1023290292 /nfs/dbraw/zinc/29/02/92/1023290292.db2.gz LYJGRXCXMVLIPI-YJLNNSPDSA-N 0 0 348.874 3.664 10 0 EHAERN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)/C=C\c1ncccc1C ZINC000588472925 1023704749 /nfs/dbraw/zinc/70/47/49/1023704749.db2.gz HAPALOPSCXPFHR-QXPKXGMISA-N 0 0 336.435 3.648 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1nc2cccc(Cl)c2n1C ZINC000588474954 1023782908 /nfs/dbraw/zinc/78/29/08/1023782908.db2.gz NEJWNOYLLYXWFH-HJWRWDBZSA-N 0 0 326.787 3.582 10 0 EHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000329653575 1023985470 /nfs/dbraw/zinc/98/54/70/1023985470.db2.gz LHXAVFSICXGRAX-BRWVUGGUSA-N 0 0 343.471 3.869 10 0 EHAERN CC[C@](C)(NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1nc(C)cs1 ZINC000151076576 1024030885 /nfs/dbraw/zinc/03/08/85/1024030885.db2.gz UOQAIGPOCXHMIC-MRAWALMUSA-N 0 0 330.453 3.758 10 0 EHAERN CC1(C)CCCC[C@@H]1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000134618942 1024147621 /nfs/dbraw/zinc/14/76/21/1024147621.db2.gz GSXUDNKSIGECDE-CABCVRRESA-N 0 0 332.469 3.575 10 0 EHAERN Cc1cc2ncc(-c3nc([C@H]4C[C@H](C)C[C@H](C)C4)no3)c(C)n2n1 ZINC000329746445 1024173060 /nfs/dbraw/zinc/17/30/60/1024173060.db2.gz YUXVGBTUTMCRMP-YABSGUDNSA-N 0 0 325.416 3.936 10 0 EHAERN Cc1c(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cccc1N1C(=O)CNC1=O ZINC000330026329 1024294498 /nfs/dbraw/zinc/29/44/98/1024294498.db2.gz LJDHRRQEJUJIHU-TZMCWYRMSA-N 0 0 329.444 3.882 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128811234 1024316284 /nfs/dbraw/zinc/31/62/84/1024316284.db2.gz KCBIJZWYJVKUMY-RDJZCZTQSA-N 0 0 346.519 3.599 10 0 EHAERN COc1cc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)ccc1Cl ZINC000194403191 1024411580 /nfs/dbraw/zinc/41/15/80/1024411580.db2.gz KOYYORFZPGEMRQ-HUUCEWRRSA-N 0 0 348.834 3.851 10 0 EHAERN COc1cccc(C)c1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000195012467 1024479839 /nfs/dbraw/zinc/47/98/39/1024479839.db2.gz ZQXHKKLCLOFCGI-LSDHHAIUSA-N 0 0 328.416 3.506 10 0 EHAERN CC(C)COC1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)CC1 ZINC000103383729 1024605583 /nfs/dbraw/zinc/60/55/83/1024605583.db2.gz SFMGOORSTBBSTB-UHFFFAOYSA-N 0 0 349.233 3.805 10 0 EHAERN CC(C)c1nnc([C@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)CCO2)o1 ZINC000330344843 1025030987 /nfs/dbraw/zinc/03/09/87/1025030987.db2.gz DKRYXHSLHWSKKR-QLFBSQMISA-N 0 0 349.475 3.555 10 0 EHAERN COC(=O)/C=C\c1ccc(Oc2nc(CC(C)C)ns2)c(OC)c1 ZINC000588496829 1025098578 /nfs/dbraw/zinc/09/85/78/1025098578.db2.gz WRPYXQZSMLHWMN-VURMDHGXSA-N 0 0 348.424 3.724 10 0 EHAERN O=C(NCCCCOCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000103004735 1025556919 /nfs/dbraw/zinc/55/69/19/1025556919.db2.gz LUXNQPAHEIMIAQ-UHFFFAOYSA-N 0 0 337.341 3.831 10 0 EHAERN COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)c(OC)c1OC ZINC000103011955 1025579033 /nfs/dbraw/zinc/57/90/33/1025579033.db2.gz LJPCWWPBVGIFRV-UHFFFAOYSA-N 0 0 335.787 3.927 10 0 EHAERN CC(C)=C(F)C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000152307707 1025602383 /nfs/dbraw/zinc/60/23/83/1025602383.db2.gz JSCSZBRBAQNBGG-ZDUSSCGKSA-N 0 0 347.365 3.845 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)no1 ZINC000329355907 1025776012 /nfs/dbraw/zinc/77/60/12/1025776012.db2.gz FQMBKQHUHBVRBH-QRVBRYPASA-N 0 0 347.418 3.998 10 0 EHAERN O=C(CNC(=O)N1CCCCC[C@@H]1c1ccco1)Nc1ccccc1 ZINC000152376780 1025803166 /nfs/dbraw/zinc/80/31/66/1025803166.db2.gz NZHNIMAITWUJBL-MRXNPFEDSA-N 0 0 341.411 3.545 10 0 EHAERN Cc1ccc(CN2C(=O)S/C(=C\c3cccs3)C2=O)c(C)n1 ZINC000588511743 1025814495 /nfs/dbraw/zinc/81/44/95/1025814495.db2.gz BOOYTUBEUIEGQL-ZSOIEALJSA-N 0 0 330.434 3.996 10 0 EHAERN COCc1ccc(C(=O)NC[C@H](C)CSc2ccccc2OC)o1 ZINC000103456153 1026086928 /nfs/dbraw/zinc/08/69/28/1026086928.db2.gz WZKORZSDLSFAED-ZDUSSCGKSA-N 0 0 349.452 3.593 10 0 EHAERN COc1ccc([C@@H](C)NC(=O)c2sccc2OC(F)F)cc1F ZINC000104210536 1026180093 /nfs/dbraw/zinc/18/00/93/1026180093.db2.gz LKOOMVFFELABEE-MRVPVSSYSA-N 0 0 345.342 3.988 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(Cl)nc3)C2)cc1 ZINC000122178273 1026261719 /nfs/dbraw/zinc/26/17/19/1026261719.db2.gz AJJRNQSQMALTQL-WFASDCNBSA-N 0 0 330.815 3.762 10 0 EHAERN CC[C@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccccc1OC ZINC000168027071 1026650803 /nfs/dbraw/zinc/65/08/03/1026650803.db2.gz AFNQXBKKWVHUQH-JKSUJKDBSA-N 0 0 328.460 3.986 10 0 EHAERN CC(=O)Nc1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000043655048 1027089835 /nfs/dbraw/zinc/08/98/35/1027089835.db2.gz GAEOSXWKCMKOMZ-UHFFFAOYSA-N 0 0 335.407 3.966 10 0 EHAERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1nc2ccccc2s1 ZINC000078022045 1027483808 /nfs/dbraw/zinc/48/38/08/1027483808.db2.gz OLMALCMPHXWFFG-AWEZNQCLSA-N 0 0 327.457 3.885 10 0 EHAERN CN(CCc1ccc(F)cc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000105047796 1027588712 /nfs/dbraw/zinc/58/87/12/1027588712.db2.gz KKNIGNJZAOPQPQ-UHFFFAOYSA-N 0 0 326.293 3.949 10 0 EHAERN Cc1noc(C2CC2)c1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000129901203 1027615330 /nfs/dbraw/zinc/61/53/30/1027615330.db2.gz NLIPEXLQORCTKV-LBPRGKRZSA-N 0 0 332.429 3.728 10 0 EHAERN CC(C)OCCCCNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000130654424 1027689288 /nfs/dbraw/zinc/68/92/88/1027689288.db2.gz ZDXCSMFJLXXZEM-UHFFFAOYSA-N 0 0 334.435 3.830 10 0 EHAERN COc1ccc(CCNC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000105071102 1027702930 /nfs/dbraw/zinc/70/29/30/1027702930.db2.gz HFFOKKNNLHOECA-UHFFFAOYSA-N 0 0 342.439 3.985 10 0 EHAERN Cc1cccc(Cl)c1NC(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000130960407 1027720265 /nfs/dbraw/zinc/72/02/65/1027720265.db2.gz LMWBOWAGSNBFPC-CYBMUJFWSA-N 0 0 349.887 3.923 10 0 EHAERN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113886969 1027966604 /nfs/dbraw/zinc/96/66/04/1027966604.db2.gz UUPPDMLBOBNTRP-KRWDZBQOSA-N 0 0 342.830 3.841 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000078566730 1027971471 /nfs/dbraw/zinc/97/14/71/1027971471.db2.gz PLBOIGQSUXHXNJ-CHWSQXEVSA-N 0 0 335.835 3.952 10 0 EHAERN O=c1c2ccccc2ncn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000133315984 1028015471 /nfs/dbraw/zinc/01/54/71/1028015471.db2.gz NBJBJIZMASZJQR-UHFFFAOYSA-N 0 0 337.766 3.753 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)C(C)(C)c3cccc(F)c3)CCO2)o1 ZINC000133844931 1028072862 /nfs/dbraw/zinc/07/28/62/1028072862.db2.gz RKYWLFNTGVSQEW-QGZVFWFLSA-N 0 0 331.387 3.605 10 0 EHAERN CN(CCc1cccs1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246260822 1028102063 /nfs/dbraw/zinc/10/20/63/1028102063.db2.gz JNFHVLSNGVDSHK-KZNAEPCWSA-N 0 0 326.465 3.518 10 0 EHAERN C[C@@H]1CCN(Cc2coc(-c3cccs3)n2)C[C@H]1n1ccnc1 ZINC000246273437 1028133622 /nfs/dbraw/zinc/13/36/22/1028133622.db2.gz MSRDVEMFPSLOKM-UKRRQHHQSA-N 0 0 328.441 3.683 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)c1cccnc1 ZINC000137002469 1028284645 /nfs/dbraw/zinc/28/46/45/1028284645.db2.gz XFYGGCYCCCYKSB-DYVFJYSZSA-N 0 0 345.830 3.659 10 0 EHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246368293 1028290038 /nfs/dbraw/zinc/29/00/38/1028290038.db2.gz HBQJQCKACVEJES-FQBWVUSXSA-N 0 0 331.431 3.676 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000137373223 1028309607 /nfs/dbraw/zinc/30/96/07/1028309607.db2.gz ICYAWWCMWXJKDM-BLLLJJGKSA-N 0 0 329.421 3.522 10 0 EHAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048083 1028355128 /nfs/dbraw/zinc/35/51/28/1028355128.db2.gz UVGNTLLKDXAWHN-DZGCQCFKSA-N 0 0 332.444 3.867 10 0 EHAERN O=C(c1cc(F)c(F)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000067047986 1028355168 /nfs/dbraw/zinc/35/51/68/1028355168.db2.gz CWYLGAONQYUTBQ-VIFPVBQESA-N 0 0 326.343 3.580 10 0 EHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H](O)CC23CCC3)cc1 ZINC000333595405 1028389929 /nfs/dbraw/zinc/38/99/29/1028389929.db2.gz VSJUCPNCWJXYRF-YJBOKZPZSA-N 0 0 330.472 3.960 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3c[nH]nc3C(C)C)C2)cc1 ZINC000193604162 1028452231 /nfs/dbraw/zinc/45/22/31/1028452231.db2.gz OHFSFJPIHLOVSS-ZFWWWQNUSA-N 0 0 327.428 3.560 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3c[nH]nc3C(C)C)C2)cc1 ZINC000193604178 1028453185 /nfs/dbraw/zinc/45/31/85/1028453185.db2.gz OHFSFJPIHLOVSS-UKRRQHHQSA-N 0 0 327.428 3.560 10 0 EHAERN NC(=O)c1ccccc1NCc1ncc(-c2ccccc2Cl)o1 ZINC000072911114 1028527636 /nfs/dbraw/zinc/52/76/36/1028527636.db2.gz LXUOAPZQYZIHOV-UHFFFAOYSA-N 0 0 327.771 3.706 10 0 EHAERN Cc1ccc(-c2nc(CN3CCC(n4cncn4)CC3)cs2)cc1 ZINC000195317670 1028629873 /nfs/dbraw/zinc/62/98/73/1028629873.db2.gz WABLMQHKDUPAEK-UHFFFAOYSA-N 0 0 339.468 3.547 10 0 EHAERN CC(C)c1ccccc1OCCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246569557 1028658596 /nfs/dbraw/zinc/65/85/96/1028658596.db2.gz FLXFLKODZLAFLS-SCTDSRPQSA-N 0 0 331.456 3.653 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246597148 1028667467 /nfs/dbraw/zinc/66/74/67/1028667467.db2.gz GYYJJIFCCGZDMS-BJJXKVORSA-N 0 0 332.831 3.817 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC[C@H]3CCCCO3)C2)cc1 ZINC000246613505 1028667730 /nfs/dbraw/zinc/66/77/30/1028667730.db2.gz CKLYUBNFRUKHQO-KVSKMBFKSA-N 0 0 331.456 3.749 10 0 EHAERN c1cc(-c2nc(CN3CCS[C@H]4COCC[C@H]43)cs2)cs1 ZINC000246852934 1028703347 /nfs/dbraw/zinc/70/33/47/1028703347.db2.gz KVJAPIGORGNMPK-KGLIPLIRSA-N 0 0 338.523 3.578 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2nc(Cl)ccc2c1 ZINC000246873281 1028706006 /nfs/dbraw/zinc/70/60/06/1028706006.db2.gz DKAHYQHRAWADJT-IMJJTQAJSA-N 0 0 330.815 3.576 10 0 EHAERN CC(C)c1ncc(Cl)c(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000246965643 1028721709 /nfs/dbraw/zinc/72/17/09/1028721709.db2.gz NHLBSMCSJBZMFT-IIAWOOMASA-N 0 0 341.842 3.569 10 0 EHAERN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247617987 1028804364 /nfs/dbraw/zinc/80/43/64/1028804364.db2.gz STORBNZDLRQPFU-YNEHKIRRSA-N 0 0 348.493 3.867 10 0 EHAERN Cc1cc2occ(CC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)c2cc1C ZINC000247648426 1028806257 /nfs/dbraw/zinc/80/62/57/1028806257.db2.gz WHRAAXMKDIERQG-CGTJXYLNSA-N 0 0 327.424 3.666 10 0 EHAERN CCOc1ccc(OCC)c(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000247635729 1028806756 /nfs/dbraw/zinc/80/67/56/1028806756.db2.gz VDNBXJWKBPNKNG-UXLLHSPISA-N 0 0 348.443 3.563 10 0 EHAERN O=C(Nc1ccccc1OCC1CC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247644507 1028807896 /nfs/dbraw/zinc/80/78/96/1028807896.db2.gz VZFJMYACZWSVPB-UXLLHSPISA-N 0 0 330.428 3.555 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2C)c2ccc(F)cc2C1 ZINC000249054365 1028983602 /nfs/dbraw/zinc/98/36/02/1028983602.db2.gz XGVRFASMMMBZQG-WTANOLMUSA-N 0 0 346.446 3.562 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)CC1 ZINC000249273271 1028999481 /nfs/dbraw/zinc/99/94/81/1028999481.db2.gz LDKCMSSJSITDFK-WKILWMFISA-N 0 0 346.471 3.525 10 0 EHAERN CCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252736373 1029233315 /nfs/dbraw/zinc/23/33/15/1029233315.db2.gz UPOYLVBBCDOPRW-BQFCYCMXSA-N 0 0 334.504 3.595 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CSc3ccncc3)C2)cc1 ZINC000078188375 1029238804 /nfs/dbraw/zinc/23/88/04/1029238804.db2.gz ASRMGGRLABDHJB-HOCLYGCPSA-N 0 0 342.464 3.587 10 0 EHAERN COc1cccc2c1CC[C@H]2NC(=O)N1CC[C@H](OCCC(C)C)C1 ZINC000154723427 1029281041 /nfs/dbraw/zinc/28/10/41/1029281041.db2.gz IUAHOUYYRGEYPK-MAUKXSAKSA-N 0 0 346.471 3.529 10 0 EHAERN CCc1noc(C)c1NC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000155618254 1029590103 /nfs/dbraw/zinc/59/01/03/1029590103.db2.gz JKQKDEPEMZURIM-IUODEOHRSA-N 0 0 343.427 3.964 10 0 EHAERN COc1cc(C)ccc1CNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000155710591 1029629584 /nfs/dbraw/zinc/62/95/84/1029629584.db2.gz JQOGEELASYDRQY-HNNXBMFYSA-N 0 0 345.468 3.549 10 0 EHAERN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000156033551 1029727548 /nfs/dbraw/zinc/72/75/48/1029727548.db2.gz PXKPSNNINYPDNY-RHSMWYFYSA-N 0 0 343.471 3.565 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1C ZINC000156383000 1029820472 /nfs/dbraw/zinc/82/04/72/1029820472.db2.gz VAZLYIYUJYYQTH-UHFFFAOYSA-N 0 0 326.444 3.524 10 0 EHAERN Cc1cccc(C)c1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156563108 1029878460 /nfs/dbraw/zinc/87/84/60/1029878460.db2.gz CZYKIYMXZIINPB-UHFFFAOYSA-N 0 0 326.444 3.524 10 0 EHAERN COCCC1(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)CCC1 ZINC000156831947 1030053317 /nfs/dbraw/zinc/05/33/17/1030053317.db2.gz PACMTIKDAJYCIY-NVXWUHKLSA-N 0 0 331.456 3.606 10 0 EHAERN C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cn1 ZINC000156813936 1030060075 /nfs/dbraw/zinc/06/00/75/1030060075.db2.gz FBQOBKKENKQJKP-LLVKDONJSA-N 0 0 348.811 3.925 10 0 EHAERN Cc1ccc(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1 ZINC000090678299 1030157664 /nfs/dbraw/zinc/15/76/64/1030157664.db2.gz MEQZKMSFTLMRDX-UHFFFAOYSA-N 0 0 347.418 3.622 10 0 EHAERN Cn1cc(C(=O)N2CC=C(c3cccs3)CC2)c(C(C)(C)C)n1 ZINC000092245030 1030412737 /nfs/dbraw/zinc/41/27/37/1030412737.db2.gz MLLUIGITTAYMCS-UHFFFAOYSA-N 0 0 329.469 3.709 10 0 EHAERN Cc1cn2c(CN3CCO[C@@H](c4cccs4)C3)c(C)nc2s1 ZINC000092594642 1030492563 /nfs/dbraw/zinc/49/25/63/1030492563.db2.gz OVWSALOKPKFHCF-CQSZACIVSA-N 0 0 333.482 3.648 10 0 EHAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000246676186 1030626539 /nfs/dbraw/zinc/62/65/39/1030626539.db2.gz QDJLCFWNXCDPOR-WNRNVDISSA-N 0 0 348.512 3.880 10 0 EHAERN O=C(CCC(=O)N1CCC[C@H](c2nccs2)C1)c1cccs1 ZINC000170890821 1030712374 /nfs/dbraw/zinc/71/23/74/1030712374.db2.gz LXFGRBBWVMUMGM-LBPRGKRZSA-N 0 0 334.466 3.574 10 0 EHAERN CCOc1ccc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000171640560 1030769783 /nfs/dbraw/zinc/76/97/83/1030769783.db2.gz ITNYYQZMWQYRSO-MRXNPFEDSA-N 0 0 344.480 3.881 10 0 EHAERN Cc1cccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171612709 1030799734 /nfs/dbraw/zinc/79/97/34/1030799734.db2.gz VGXKHSAJNZRMKG-KRWDZBQOSA-N 0 0 338.451 3.639 10 0 EHAERN O=C(NCc1cc2ccccc2o1)N1CCC(Cc2ccccn2)CC1 ZINC000171902493 1030847571 /nfs/dbraw/zinc/84/75/71/1030847571.db2.gz KXBZEOWHRPLVBN-UHFFFAOYSA-N 0 0 349.434 3.992 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000172636418 1030953319 /nfs/dbraw/zinc/95/33/19/1030953319.db2.gz KXOKVZCAHKQDHH-CTNGQTDRSA-N 0 0 342.483 3.685 10 0 EHAERN CS[C@@H](C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000172534608 1030969721 /nfs/dbraw/zinc/96/97/21/1030969721.db2.gz DGIHWTAEUWPUEW-OAHLLOKOSA-N 0 0 325.393 3.779 10 0 EHAERN C[C@H]1CCC[C@H](C)N(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000172706652 1030979083 /nfs/dbraw/zinc/97/90/83/1030979083.db2.gz RJBZDAPQFDXHTN-GJZGRUSLSA-N 0 0 348.512 3.637 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)c3cccc4ccccc43)CC2)nc1 ZINC000157949618 1030983465 /nfs/dbraw/zinc/98/34/65/1030983465.db2.gz VOHVUCVKHPWHMQ-UHFFFAOYSA-N 0 0 345.446 3.942 10 0 EHAERN CSc1ccccc1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000172870930 1031015009 /nfs/dbraw/zinc/01/50/09/1031015009.db2.gz XOTLSRAXVFNFOD-UHFFFAOYSA-N 0 0 341.480 3.511 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSCCOC(C)C)cc1 ZINC000173812395 1031145592 /nfs/dbraw/zinc/14/55/92/1031145592.db2.gz QTUNFAXKOMXMTB-QGZVFWFLSA-N 0 0 337.485 3.517 10 0 EHAERN CCOc1ccccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174080924 1031164575 /nfs/dbraw/zinc/16/45/75/1031164575.db2.gz NGCVZSMJBPLXCE-UHFFFAOYSA-N 0 0 342.414 3.941 10 0 EHAERN C[C@H](CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)Cc1cccc(F)c1 ZINC000174305552 1031229142 /nfs/dbraw/zinc/22/91/42/1031229142.db2.gz PNPZWSFBWXDLFK-GOEBONIOSA-N 0 0 329.419 3.524 10 0 EHAERN Cc1c(F)cccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000175328845 1031294136 /nfs/dbraw/zinc/29/41/36/1031294136.db2.gz QLTJRTNTFADZDO-UHFFFAOYSA-N 0 0 346.427 3.687 10 0 EHAERN O=C(c1ncncc1Cl)N1Cc2ccccc2-c2ccccc2C1 ZINC000175193009 1031310422 /nfs/dbraw/zinc/31/04/22/1031310422.db2.gz GATQBSUOMKWQCM-UHFFFAOYSA-N 0 0 335.794 3.953 10 0 EHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C)nc3c2cnn3C)o1 ZINC000175777946 1031378410 /nfs/dbraw/zinc/37/84/10/1031378410.db2.gz VXUPYNQMUMHBFI-MRXNPFEDSA-N 0 0 338.411 3.546 10 0 EHAERN C[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccc2ccccc2c1 ZINC000177352342 1031560037 /nfs/dbraw/zinc/56/00/37/1031560037.db2.gz OYMZQBPQRSJYRS-JXFKEZNVSA-N 0 0 348.450 3.972 10 0 EHAERN Cc1ccc(CCCCC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177804548 1031573202 /nfs/dbraw/zinc/57/32/02/1031573202.db2.gz IQAOASUEUNSYNG-LJQANCHMSA-N 0 0 325.456 3.596 10 0 EHAERN Cc1nnc([C@@H](NC(=O)CC[C@@H](C)c2ccccc2)c2ccccc2)[nH]1 ZINC000158838111 1031670848 /nfs/dbraw/zinc/67/08/48/1031670848.db2.gz XKTMRSGJSPDZMT-QRWLVFNGSA-N 0 0 348.450 3.903 10 0 EHAERN CCSc1ccc(Cl)cc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178660853 1031711810 /nfs/dbraw/zinc/71/18/10/1031711810.db2.gz OZNQTUGATBVPQJ-DOTOQJQBSA-N 0 0 347.867 3.840 10 0 EHAERN CC[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cccs1 ZINC000178700853 1031717275 /nfs/dbraw/zinc/71/72/75/1031717275.db2.gz HYNRUBSXCPGGJF-OAHLLOKOSA-N 0 0 346.500 3.597 10 0 EHAERN Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179359309 1031741945 /nfs/dbraw/zinc/74/19/45/1031741945.db2.gz RUYYQVQLEZDLBZ-CYBMUJFWSA-N 0 0 345.472 3.595 10 0 EHAERN CCC(CC)n1ncc(C(=O)Nc2cccc(-c3ncon3)c2)c1C ZINC000179285111 1031763461 /nfs/dbraw/zinc/76/34/61/1031763461.db2.gz OPAAMQPAXIDJAM-UHFFFAOYSA-N 0 0 339.399 3.855 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)NCc2cccs2)CC1 ZINC000102438900 1031770568 /nfs/dbraw/zinc/77/05/68/1031770568.db2.gz XUIDUJCETSQZPE-UHFFFAOYSA-N 0 0 344.480 3.921 10 0 EHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCC(C(F)(F)F)CC1 ZINC000179477336 1031775454 /nfs/dbraw/zinc/77/54/54/1031775454.db2.gz XFLNZDLTZIBLET-UHFFFAOYSA-N 0 0 338.333 3.883 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3noc(C4CCCCC4)n3)CCO2)o1 ZINC000158990291 1031775701 /nfs/dbraw/zinc/77/57/01/1031775701.db2.gz DLWKDSVSHJBEPO-INIZCTEOSA-N 0 0 331.416 3.592 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3ncc(-c4ccc(F)cc4)o3)CCO2)o1 ZINC000179503056 1031780807 /nfs/dbraw/zinc/78/08/07/1031780807.db2.gz IAYOJHDSTDXGSO-GOSISDBHSA-N 0 0 342.370 3.956 10 0 EHAERN Cc1ccc2c(c1)OCCC[C@H]2Nc1ccc(N2CCOCC2)nc1 ZINC000180043493 1031835423 /nfs/dbraw/zinc/83/54/23/1031835423.db2.gz HGSWGXTVGUGQJL-GOSISDBHSA-N 0 0 339.439 3.552 10 0 EHAERN COc1cc(OC)cc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117720373 1031839810 /nfs/dbraw/zinc/83/98/10/1031839810.db2.gz KHGJXUUMUNNDOI-UHFFFAOYSA-N 0 0 329.421 3.695 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)nc1 ZINC000180256292 1031870737 /nfs/dbraw/zinc/87/07/37/1031870737.db2.gz IXFZYRRUQJDHMY-HOTGVXAUSA-N 0 0 329.488 3.547 10 0 EHAERN Cc1cccc(C)c1CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180595070 1031890059 /nfs/dbraw/zinc/89/00/59/1031890059.db2.gz NGMOAYUIVZLHDH-SJLPKXTDSA-N 0 0 327.424 3.554 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3cccc(Cl)c3F)CC2)nc1 ZINC000181193652 1031952816 /nfs/dbraw/zinc/95/28/16/1031952816.db2.gz NVGDACOFXZCAJX-UHFFFAOYSA-N 0 0 348.805 3.866 10 0 EHAERN O=C(CCc1ccncn1)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588590037 1031975101 /nfs/dbraw/zinc/97/51/01/1031975101.db2.gz ZCDCUHDUQDCQSX-RQOWECAXSA-N 0 0 336.313 3.685 10 0 EHAERN COCc1ccsc1C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000181777997 1032033225 /nfs/dbraw/zinc/03/32/25/1032033225.db2.gz XCMNBCMSEMDDER-JKIFEVAISA-N 0 0 345.464 3.885 10 0 EHAERN O=C(N[C@@H]1CCSc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000172516102 1033302146 /nfs/dbraw/zinc/30/21/46/1033302146.db2.gz RVLNHJNXCNJVPC-MRXNPFEDSA-N 0 0 342.468 3.536 10 0 EHAERN COc1ccc(Cl)cc1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525872 1033738928 /nfs/dbraw/zinc/73/89/28/1033738928.db2.gz CPIYYKPUNULTGR-UHFFFAOYSA-N 0 0 343.770 3.580 10 0 EHAERN O=C(Cc1ccc(F)c(F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000087391847 1034136315 /nfs/dbraw/zinc/13/63/15/1034136315.db2.gz QSBNOHXEKDSTKZ-UHFFFAOYSA-N 0 0 348.368 3.750 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3nc(C)cs3)C2)cc1 ZINC000120821220 1034175381 /nfs/dbraw/zinc/17/53/81/1034175381.db2.gz UISGLQHLDOCDSG-JSGCOSHPSA-N 0 0 331.441 3.870 10 0 EHAERN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H](C)c1ccncc1 ZINC000088479268 1034198722 /nfs/dbraw/zinc/19/87/22/1034198722.db2.gz FENNEHUTMIRCHY-MAUKXSAKSA-N 0 0 338.455 3.583 10 0 EHAERN CSc1cccc(N(C)C(=O)CCc2nc(C(C)(C)C)no2)c1 ZINC000101833523 1034274919 /nfs/dbraw/zinc/27/49/19/1034274919.db2.gz UOLIQECCPCHWTJ-UHFFFAOYSA-N 0 0 333.457 3.685 10 0 EHAERN O=C(Nc1ccc(F)nc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089272125 1034276475 /nfs/dbraw/zinc/27/64/75/1034276475.db2.gz GCMDWQZEIZMJAU-CQSZACIVSA-N 0 0 335.766 3.559 10 0 EHAERN COc1ccc([C@H](C)NCc2noc(-c3ccccc3)n2)cc1F ZINC000102184942 1034425200 /nfs/dbraw/zinc/42/52/00/1034425200.db2.gz KMTCEABIXWNVPL-LBPRGKRZSA-N 0 0 327.359 3.735 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]c4ncccc34)C2)cc1 ZINC000121130832 1034468476 /nfs/dbraw/zinc/46/84/76/1034468476.db2.gz HAMDHZKSMQAYDT-WMLDXEAASA-N 0 0 349.434 3.519 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3[nH]nc4ccccc43)C2)cc1 ZINC000121299903 1034648482 /nfs/dbraw/zinc/64/84/82/1034648482.db2.gz GFGFCQCEVAJOQJ-ZBFHGGJFSA-N 0 0 349.434 3.519 10 0 EHAERN CCO[C@H]1C[C@@H](Nc2ccc(-c3ncco3)cc2)C12CCOCC2 ZINC000186493625 1035641831 /nfs/dbraw/zinc/64/18/31/1035641831.db2.gz CJFUHENQYDRXPQ-SJORKVTESA-N 0 0 328.412 3.728 10 0 EHAERN Cc1ccc(CCCC(=O)N2CCCN(c3ccccn3)CC2)s1 ZINC000186386916 1035650660 /nfs/dbraw/zinc/65/06/60/1035650660.db2.gz CSQAGBMVOFRMKX-UHFFFAOYSA-N 0 0 343.496 3.513 10 0 EHAERN Cc1ccc(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c(C)c1 ZINC000186573919 1035659299 /nfs/dbraw/zinc/65/92/99/1035659299.db2.gz JTVABFCRFYPMBZ-UHFFFAOYSA-N 0 0 338.411 3.602 10 0 EHAERN Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186586611 1035662072 /nfs/dbraw/zinc/66/20/72/1035662072.db2.gz KWSOLIBWHOJUPZ-UHFFFAOYSA-N 0 0 338.411 3.636 10 0 EHAERN COC[C@H]1CCCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 ZINC000457054611 1035666437 /nfs/dbraw/zinc/66/64/37/1035666437.db2.gz YVZULFPKNOLSEG-ZDUSSCGKSA-N 0 0 334.847 3.720 10 0 EHAERN O=C(CCN1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1F ZINC000186630005 1035675135 /nfs/dbraw/zinc/67/51/35/1035675135.db2.gz UKWHBESBLPFESA-IBGZPJMESA-N 0 0 349.352 3.750 10 0 EHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186631705 1035676194 /nfs/dbraw/zinc/67/61/94/1035676194.db2.gz KDYSPVYRFFFGMQ-CYBMUJFWSA-N 0 0 338.411 3.855 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000186803165 1035709357 /nfs/dbraw/zinc/70/93/57/1035709357.db2.gz CNYXSIJGOXFKLC-CYBMUJFWSA-N 0 0 345.424 3.607 10 0 EHAERN COc1cnccc1[C@@H](C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000187217223 1035790869 /nfs/dbraw/zinc/79/08/69/1035790869.db2.gz VYAJFNROLKVVFI-CYBMUJFWSA-N 0 0 343.452 3.712 10 0 EHAERN CCOc1ccc(C=CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1C ZINC000187607138 1035850477 /nfs/dbraw/zinc/85/04/77/1035850477.db2.gz CHCLIGJRSZOMCP-UGAXZCSASA-N 0 0 339.439 3.536 10 0 EHAERN COCC(=O)N1CCc2cc(NC3CC(c4ccccc4)C3)ccc21 ZINC000187663666 1035857171 /nfs/dbraw/zinc/85/71/71/1035857171.db2.gz CYPALGBTNDOHDZ-UHFFFAOYSA-N 0 0 336.435 3.580 10 0 EHAERN Cc1ccc([C@H]2COCCN2C(=O)Cc2ccc(OC(C)C)cc2)o1 ZINC000188071207 1035889651 /nfs/dbraw/zinc/88/96/51/1035889651.db2.gz NJCIPCXOQIJMEN-GOSISDBHSA-N 0 0 343.423 3.518 10 0 EHAERN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000188568361 1035951961 /nfs/dbraw/zinc/95/19/61/1035951961.db2.gz WOPSIHNJRGFGHH-KPZWWZAWSA-N 0 0 338.382 3.544 10 0 EHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)[C@H]2C ZINC000188752184 1035978893 /nfs/dbraw/zinc/97/88/93/1035978893.db2.gz RDZAYGXSSCZDQG-XEHSLEBBSA-N 0 0 344.846 3.672 10 0 EHAERN COc1cccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1O ZINC000189645484 1036105756 /nfs/dbraw/zinc/10/57/56/1036105756.db2.gz WAXMGTGNFLOLOC-GFCCVEGCSA-N 0 0 347.361 3.699 10 0 EHAERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cn(C)nc2C)o1 ZINC000189683842 1036114206 /nfs/dbraw/zinc/11/42/06/1036114206.db2.gz QUOHWBXLCAZHMR-MLGOLLRUSA-N 0 0 330.432 3.889 10 0 EHAERN O=C(Cc1cccc(Cl)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189816941 1036150468 /nfs/dbraw/zinc/15/04/68/1036150468.db2.gz YNKVUHAYEGCVGO-UHFFFAOYSA-N 0 0 341.838 3.978 10 0 EHAERN O=C(Cc1ccc(F)c(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189840896 1036152853 /nfs/dbraw/zinc/15/28/53/1036152853.db2.gz NLTCIGLUSQCMQO-UHFFFAOYSA-N 0 0 343.373 3.602 10 0 EHAERN CC[C@@H](OC1CCCC1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189859211 1036159655 /nfs/dbraw/zinc/15/96/55/1036159655.db2.gz JAEXPUKISDTILZ-LJQANCHMSA-N 0 0 343.467 3.819 10 0 EHAERN COc1cc(/C=C/C(=O)Nc2nc(C)cs2)ccc1OC(F)F ZINC000003561971 1036178930 /nfs/dbraw/zinc/17/89/30/1036178930.db2.gz LHZMQOCKDISPTF-GQCTYLIASA-N 0 0 340.351 3.713 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(Cc2noc3ccccc32)n1 ZINC000190397515 1036207855 /nfs/dbraw/zinc/20/78/55/1036207855.db2.gz WRTDEOVEMRBLHT-LRDDRELGSA-N 0 0 327.384 3.720 10 0 EHAERN C[C@@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190396819 1036208764 /nfs/dbraw/zinc/20/87/64/1036208764.db2.gz IDHNIBHQZWEJSI-AWEZNQCLSA-N 0 0 329.469 3.740 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2ccnc(OC3CCC3)c2)n1 ZINC000190368048 1036228553 /nfs/dbraw/zinc/22/85/53/1036228553.db2.gz UZOHTQWXPYEZOE-HOCLYGCPSA-N 0 0 343.427 3.982 10 0 EHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC(Nc2nccs2)CC1 ZINC000190390875 1036232371 /nfs/dbraw/zinc/23/23/71/1036232371.db2.gz KIPQSSONJKHSRI-HZPDHXFCSA-N 0 0 333.501 3.762 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC[C@H]3CCC[C@@H](C)C3)C2)no1 ZINC000332835485 1036261698 /nfs/dbraw/zinc/26/16/98/1036261698.db2.gz YZTOPVGKFJAABJ-OIISXLGYSA-N 0 0 348.491 3.559 10 0 EHAERN COCCC1(CNC(=O)N[C@H]2CCOc3c(C)cccc32)CCCC1 ZINC000191083781 1036335129 /nfs/dbraw/zinc/33/51/29/1036335129.db2.gz DZRJIFMOLVSKBF-KRWDZBQOSA-N 0 0 346.471 3.715 10 0 EHAERN CC[C@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1c(C)noc1C ZINC000191292984 1036361527 /nfs/dbraw/zinc/36/15/27/1036361527.db2.gz STEKOSPZTRUSEJ-HOTGVXAUSA-N 0 0 343.427 3.874 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC(C)(C)CC(C)=O)C2)cc1 ZINC000191863672 1036451860 /nfs/dbraw/zinc/45/18/60/1036451860.db2.gz CXVQVFHOUPRMPZ-WMLDXEAASA-N 0 0 331.456 3.795 10 0 EHAERN Cc1ccc(NC(=O)CN2CC3(CCOCC3)c3ccccc32)cc1 ZINC000192286673 1036493195 /nfs/dbraw/zinc/49/31/95/1036493195.db2.gz FHISEXAVHRQNQL-UHFFFAOYSA-N 0 0 336.435 3.502 10 0 EHAERN COc1ccc(OC(C)C)c(NC(=O)[C@@H]2CCCc3cccnc32)c1 ZINC000192534489 1036526251 /nfs/dbraw/zinc/52/62/51/1036526251.db2.gz SLEYJDISHXAIIG-MRXNPFEDSA-N 0 0 340.423 3.936 10 0 EHAERN Cc1csc2c1ncnc2N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000192561371 1036528331 /nfs/dbraw/zinc/52/83/31/1036528331.db2.gz JDPJBPAWDPCXCD-CQSZACIVSA-N 0 0 336.424 3.628 10 0 EHAERN CCCN(C(=O)c1ccc(C)nc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000102608522 1036748641 /nfs/dbraw/zinc/74/86/41/1036748641.db2.gz ZXLHNUOOZKGFPP-INIZCTEOSA-N 0 0 339.439 3.578 10 0 EHAERN Cc1cc(NC(=O)c2cc3cc(Cl)ccc3o2)ccc1C(N)=O ZINC000103408974 1036908211 /nfs/dbraw/zinc/90/82/11/1036908211.db2.gz GVXZRZQHHBHYLY-UHFFFAOYSA-N 0 0 328.755 3.746 10 0 EHAERN CC(C)c1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103726563 1036935013 /nfs/dbraw/zinc/93/50/13/1036935013.db2.gz ROIQANVKVHPYJW-UHFFFAOYSA-N 0 0 341.802 3.691 10 0 EHAERN CCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1cccnc1 ZINC000104401539 1037031588 /nfs/dbraw/zinc/03/15/88/1037031588.db2.gz YQCMRYFDIHGBLC-UHFFFAOYSA-N 0 0 326.787 3.587 10 0 EHAERN O=C([C@H]1CCCc2c(O)cccc21)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000248892529 1037056300 /nfs/dbraw/zinc/05/63/00/1037056300.db2.gz KACUMWASYGVVNV-RCCFBDPRSA-N 0 0 341.451 3.562 10 0 EHAERN CCC(CC)CNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000104550087 1037058866 /nfs/dbraw/zinc/05/88/66/1037058866.db2.gz ZOLIGYZCTJHOQP-UHFFFAOYSA-N 0 0 333.457 3.836 10 0 EHAERN CCOc1ccc2[nH]c(SCc3nc(-c4ccoc4)no3)nc2c1 ZINC000105571775 1037212734 /nfs/dbraw/zinc/21/27/34/1037212734.db2.gz VAWHSMCYONEHCU-UHFFFAOYSA-N 0 0 342.380 3.897 10 0 EHAERN COc1ccc2c(c1)CCN2C(=O)Cc1coc(-c2cccs2)n1 ZINC000105956874 1037265680 /nfs/dbraw/zinc/26/56/80/1037265680.db2.gz FNQLCMPUTPMHLO-UHFFFAOYSA-N 0 0 340.404 3.544 10 0 EHAERN CCOc1ccc(CNC(=O)CCC(=O)c2ccc(C)s2)cc1F ZINC000105985169 1037291084 /nfs/dbraw/zinc/29/10/84/1037291084.db2.gz CAOFHKGSOBAMLB-UHFFFAOYSA-N 0 0 349.427 3.874 10 0 EHAERN CC[C@@H](CC(=O)N1CCC(c2nnc3ccccn32)CC1)C(C)C ZINC000104210926 1037595203 /nfs/dbraw/zinc/59/52/03/1037595203.db2.gz DSSFQSVUAMCMNM-HNNXBMFYSA-N 0 0 328.460 3.508 10 0 EHAERN COc1ccccc1C[C@H]1CCCN1C(=O)CCCc1ccccn1 ZINC000104873125 1037738484 /nfs/dbraw/zinc/73/84/84/1037738484.db2.gz ACYWAUXTAUYBBZ-LJQANCHMSA-N 0 0 338.451 3.647 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCCCOCc1ccccc1 ZINC000117637153 1037856894 /nfs/dbraw/zinc/85/68/94/1037856894.db2.gz WTWCGXVCKWZVCY-JXFKEZNVSA-N 0 0 339.435 3.664 10 0 EHAERN O=C([C@H]1CCOc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117723362 1037860830 /nfs/dbraw/zinc/86/08/30/1037860830.db2.gz FXOOPLOOEJQIIT-INIZCTEOSA-N 0 0 325.433 3.930 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000117752565 1037861029 /nfs/dbraw/zinc/86/10/29/1037861029.db2.gz WFKORXWPHMTVOS-IFXJQAMLSA-N 0 0 337.375 3.966 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000332703889 1037950122 /nfs/dbraw/zinc/95/01/22/1037950122.db2.gz FTOJMHCGRAUKNN-DQYPLSBCSA-N 0 0 340.427 3.863 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc2ccccc2c1 ZINC000332949431 1037966370 /nfs/dbraw/zinc/96/63/70/1037966370.db2.gz SXMTVHJHQGIOGI-QRWLVFNGSA-N 0 0 326.440 3.847 10 0 EHAERN CC[C@@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)c1nccs1 ZINC000123501930 1038029436 /nfs/dbraw/zinc/02/94/36/1038029436.db2.gz ARUWXRAEDUBUFJ-DZGCQCFKSA-N 0 0 344.484 3.517 10 0 EHAERN CC(=O)c1csc(C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000106766862 1038192469 /nfs/dbraw/zinc/19/24/69/1038192469.db2.gz OTXCTYOCVVMESX-UHFFFAOYSA-N 0 0 334.466 3.735 10 0 EHAERN CCc1nc(CNC(=O)N2CC=C(c3ccccc3)CC2)cs1 ZINC000107754634 1038439469 /nfs/dbraw/zinc/43/94/69/1038439469.db2.gz CQFHTUIPVKAGOZ-UHFFFAOYSA-N 0 0 327.453 3.704 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000408405339 1039289284 /nfs/dbraw/zinc/28/92/84/1039289284.db2.gz QQUPEYHBPNYQPN-BTJLNZGRSA-N 0 0 333.407 3.969 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC000332783057 1040125761 /nfs/dbraw/zinc/12/57/61/1040125761.db2.gz KFBBJGVBWPIZAV-ATLSCFEFSA-N 0 0 330.476 3.626 10 0 EHAERN CCC1CCC(CNC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CC1 ZINC000171357101 1040162270 /nfs/dbraw/zinc/16/22/70/1040162270.db2.gz SIBUAEQXVIUKLC-JCYILVPMSA-N 0 0 348.491 3.559 10 0 EHAERN Cc1nc([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cs1 ZINC000332871172 1040168349 /nfs/dbraw/zinc/16/83/49/1040168349.db2.gz NJSPSDYJCKSGRH-YLQAJVPDSA-N 0 0 345.468 3.732 10 0 EHAERN C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc2c(c1)CC(=O)N2 ZINC000245690347 1040368803 /nfs/dbraw/zinc/36/88/03/1040368803.db2.gz JMJZSWUZIFTPOE-XOSAIJSUSA-N 0 0 340.467 3.965 10 0 EHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC[C@](C)(O)C1 ZINC000245705225 1040371650 /nfs/dbraw/zinc/37/16/50/1040371650.db2.gz DEABKCSTQORXDJ-UZLBHIALSA-N 0 0 345.487 3.753 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@H](O)C12CCCC2)c1ccc(F)c(Cl)c1 ZINC000332995972 1040809206 /nfs/dbraw/zinc/80/92/06/1040809206.db2.gz NXHQUHWKDIVVBT-ABAIWWIYSA-N 0 0 340.826 3.629 10 0 EHAERN CC1(C)CCCCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)C1 ZINC000408444388 1040812741 /nfs/dbraw/zinc/81/27/41/1040812741.db2.gz VBNJZYYTRLRHDL-UHFFFAOYSA-N 0 0 343.471 3.853 10 0 EHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N[C@H]1CCOC2(CCC2)C1 ZINC000332998604 1040822399 /nfs/dbraw/zinc/82/23/99/1040822399.db2.gz IIUZQZWPSGXGKD-MELADBBJSA-N 0 0 348.409 3.756 10 0 EHAERN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C=O)cc1 ZINC000111127004 1041542633 /nfs/dbraw/zinc/54/26/33/1041542633.db2.gz PULUNCUKJGSPPC-SCLBCKFNSA-N 0 0 343.810 3.755 10 0 EHAERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3cccc(C(C)C)c3)C2)c1 ZINC000106222462 1041631253 /nfs/dbraw/zinc/63/12/53/1041631253.db2.gz WLDHLMXZVOYZFB-LJQANCHMSA-N 0 0 340.471 3.591 10 0 EHAERN O[C@@]12CCCC[C@@H]1CN(c1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000301721102 1041849916 /nfs/dbraw/zinc/84/99/16/1041849916.db2.gz QGAYFVXOXRVVSP-CXAGYDPISA-N 0 0 333.819 3.521 10 0 EHAERN Cc1nnc([C@@H](NC(=O)c2ccc(Cl)cc2C)c2ccccc2)[nH]1 ZINC000162054160 1042704042 /nfs/dbraw/zinc/70/40/42/1042704042.db2.gz YKZUOYGEZQDGAR-INIZCTEOSA-N 0 0 340.814 3.594 10 0 EHAERN Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408305575 1043005861 /nfs/dbraw/zinc/00/58/61/1043005861.db2.gz LCTSJFOTXKYVDN-MRXNPFEDSA-N 0 0 341.329 3.579 10 0 EHAERN Cc1c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)sc2nccc(C)c12 ZINC000408349820 1043535965 /nfs/dbraw/zinc/53/59/65/1043535965.db2.gz MHVAMMLBKJLISO-AUUYWEPGSA-N 0 0 344.480 3.680 10 0 EHAERN CC(C)[C@H](NC(=O)N[C@H](C)C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000112451755 1044607914 /nfs/dbraw/zinc/60/79/14/1044607914.db2.gz UXZFARYMKHIBTH-OCCSQVGLSA-N 0 0 345.447 3.563 10 0 EHAERN O=C(N[C@@H]1CCOc2ccccc21)N[C@H]1CCOC2(CCCCC2)C1 ZINC000269196827 1128740782 /nfs/dbraw/zinc/74/07/82/1128740782.db2.gz GSLYXDGCMDMPPJ-DOTOQJQBSA-N 0 0 344.455 3.691 10 0 EHAERN CN1Cc2cc(NC(=O)C/C=C\c3ccc(F)cc3)ccc2NC1=O ZINC000588510859 1129467434 /nfs/dbraw/zinc/46/74/34/1129467434.db2.gz RWUVYHFENKPSCO-IHWYPQMZSA-N 0 0 339.370 3.845 10 0 EHAERN Cc1cscc1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000272365493 1129474035 /nfs/dbraw/zinc/47/40/35/1129474035.db2.gz QOBGURVJWDLIPO-CQSZACIVSA-N 0 0 345.472 3.743 10 0 EHAERN COc1ccc2c(c1NC(=O)N[C@H]1CCOc3ccccc31)CCC2 ZINC000191302494 1132460740 /nfs/dbraw/zinc/46/07/40/1132460740.db2.gz FEZOXQJGMVTLJW-INIZCTEOSA-N 0 0 338.407 3.829 10 0 EHAERN CCC[C@@H](C(=O)NCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000103444723 1132895722 /nfs/dbraw/zinc/89/57/22/1132895722.db2.gz PCPZIJCTJAWEHW-MRXNPFEDSA-N 0 0 334.460 3.601 10 0 EHAERN Cc1ccccc1CCC(=O)OCc1nccn1Cc1ccccc1 ZINC000103553072 1134748679 /nfs/dbraw/zinc/74/86/79/1134748679.db2.gz IZPCTUSNJITAQY-UHFFFAOYSA-N 0 0 334.419 3.916 10 0 EHAERN CCC[C@@H](OC(=O)c1ccc(CS(C)(=O)=O)o1)c1ccccc1 ZINC000102134012 1135462992 /nfs/dbraw/zinc/46/29/92/1135462992.db2.gz ZDZWICBYNVHFEK-OAHLLOKOSA-N 0 0 336.409 3.522 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)C3CCCCCC3)C2)o1 ZINC000102141748 1135464189 /nfs/dbraw/zinc/46/41/89/1135464189.db2.gz BIPUIMIHSPHGOW-INIZCTEOSA-N 0 0 347.455 3.954 10 0 EHAERN COc1ccnc(COC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1 ZINC000102149448 1135465810 /nfs/dbraw/zinc/46/58/10/1135465810.db2.gz NHSSNTMGQLFELX-UHFFFAOYSA-N 0 0 331.416 3.522 10 0 EHAERN COC(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000104015983 1135742290 /nfs/dbraw/zinc/74/22/90/1135742290.db2.gz LFBHLIKZKJXSBF-UHFFFAOYSA-N 0 0 332.787 3.791 10 0 EHAERN O=C(/C=C/c1cnc2ccccc2n1)Oc1ccccc1OC(F)F ZINC000105983720 1136014947 /nfs/dbraw/zinc/01/49/47/1136014947.db2.gz TXMCWYXBXSSALW-MDZDMXLPSA-N 0 0 342.301 3.850 10 0 EHAERN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)OCC(F)F ZINC000103655523 1137464643 /nfs/dbraw/zinc/46/46/43/1137464643.db2.gz HAHKBGSJLLZQHA-UHFFFAOYSA-N 0 0 347.770 3.726 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2F)cc1 ZINC000102251947 1137872573 /nfs/dbraw/zinc/87/25/73/1137872573.db2.gz FFALBBLUXNZSJV-IUODEOHRSA-N 0 0 326.371 3.697 10 0 EHAERN Cc1noc(Cl)c1CCC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103127482 1137875262 /nfs/dbraw/zinc/87/52/62/1137875262.db2.gz JSNXICOGSNHVRA-UHFFFAOYSA-N 0 0 345.830 3.718 10 0 EHAERN Cc1cc(C)n(CCCNC(=O)N(Cc2ccco2)C2CCCC2)n1 ZINC000105076618 1137880073 /nfs/dbraw/zinc/88/00/73/1137880073.db2.gz XDKVKMVWYRZBJG-UHFFFAOYSA-N 0 0 344.459 3.637 10 0 EHAERN Cc1cc(CS[C@@H](C(=O)N2CCCCC2)c2ccccc2)no1 ZINC000105626321 1137881340 /nfs/dbraw/zinc/88/13/40/1137881340.db2.gz OSMYQNHLNVTNJC-QGZVFWFLSA-N 0 0 330.453 3.970 10 0 EHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333330395 1138277727 /nfs/dbraw/zinc/27/77/27/1138277727.db2.gz CORBZZPQCXUMPL-OAHLLOKOSA-N 0 0 349.862 3.856 10 0 EHAERN C[C@@H]1CC(CNC(=O)Nc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000333746801 1138328012 /nfs/dbraw/zinc/32/80/12/1138328012.db2.gz YWCOTNWXEPADHS-ZIAGYGMSSA-N 0 0 348.491 3.793 10 0 EHAERN C[C@@H]1CC(CNC(=O)Nc2ccc3c(c2)C(=O)CCCC3)C[C@@H](C)O1 ZINC000333764330 1138330237 /nfs/dbraw/zinc/33/02/37/1138330237.db2.gz DEJIOFMNJGTMPQ-ZIAGYGMSSA-N 0 0 344.455 3.921 10 0 EHAERN COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000188561126 1140300787 /nfs/dbraw/zinc/30/07/87/1140300787.db2.gz AALZBVWWAOEDFN-HNNXBMFYSA-N 0 0 345.424 3.607 10 0 EHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Cl)cc2Cl)C1 ZINC000190101320 1140387065 /nfs/dbraw/zinc/38/70/65/1140387065.db2.gz CQGUFKZDEAINGG-JSGCOSHPSA-N 0 0 342.226 3.647 10 0 EHAERN CCCCOc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190145634 1140389214 /nfs/dbraw/zinc/38/92/14/1140389214.db2.gz YEOGITUHWYHWRH-QZTJIDSGSA-N 0 0 345.443 3.519 10 0 EHAERN FC(F)(F)c1ccn(CCNc2ccccc2Br)n1 ZINC000053533546 214187634 /nfs/dbraw/zinc/18/76/34/214187634.db2.gz OLCNGUFTYYWYCD-UHFFFAOYSA-N 0 0 334.139 3.777 10 0 EHAERN Nc1c(F)cccc1C(=O)Nc1ccc(F)cc1Br ZINC000054206879 214224762 /nfs/dbraw/zinc/22/47/62/214224762.db2.gz IDDMVORSCPAWOE-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(F)c1 ZINC000054618279 214246610 /nfs/dbraw/zinc/24/66/10/214246610.db2.gz SLTVGJZRJLRGAA-UHFFFAOYSA-N 0 0 345.370 3.858 10 0 EHAERN O[C@@H](COc1ccccc1)Cc1cc(F)ccc1Br ZINC000054436708 214238762 /nfs/dbraw/zinc/23/87/62/214238762.db2.gz JSYBUXORIJKENF-CYBMUJFWSA-N 0 0 325.177 3.571 10 0 EHAERN O=c1c2ccccc2[n-]c(=S)n1Cc1cccc(C(F)(F)F)c1 ZINC000100090546 219091147 /nfs/dbraw/zinc/09/11/47/219091147.db2.gz RZRLDMAOTUOGAT-UHFFFAOYSA-N 0 0 336.338 3.752 10 0 EHAERN COc1ccc(C[C@H](O)c2ccc(Br)c(F)c2)cc1 ZINC000062139732 214702238 /nfs/dbraw/zinc/70/22/38/214702238.db2.gz DQSZNCQUIVGEFI-HNNXBMFYSA-N 0 0 325.177 3.873 10 0 EHAERN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1)CC2 ZINC000065148914 214832565 /nfs/dbraw/zinc/83/25/65/214832565.db2.gz OTMBWWJHKFUKNY-UHFFFAOYSA-N 0 0 349.434 3.878 10 0 EHAERN COc1ccc2c(ncnc2Nc2cccc(Br)c2)n1 ZINC000003815320 210076928 /nfs/dbraw/zinc/07/69/28/210076928.db2.gz OQQQTEPDBHVQDX-UHFFFAOYSA-N 0 0 331.173 3.540 10 0 EHAERN CN[C@H](c1sccc1Br)c1cc(OC)ccc1OC ZINC000104302261 219373375 /nfs/dbraw/zinc/37/33/75/219373375.db2.gz NFWYKUZNKZCXKF-ZDUSSCGKSA-N 0 0 342.258 3.837 10 0 EHAERN CCOc1ccc(Br)cc1/C=C/C(=O)N(CC)CC ZINC000040890674 213397403 /nfs/dbraw/zinc/39/74/03/213397403.db2.gz OWXXMPURVLBTPL-JXMROGBWSA-N 0 0 326.234 3.729 10 0 EHAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 ZINC000068854268 215341255 /nfs/dbraw/zinc/34/12/55/215341255.db2.gz CRXBGOMOBGSGGT-KRWDZBQOSA-N 0 0 344.842 3.757 10 0 EHAERN COc1ccc(Oc2ncnc(Nc3ccccc3OC)c2N)cc1 ZINC000040781606 213385727 /nfs/dbraw/zinc/38/57/27/213385727.db2.gz FHDVYOOIGGDMBV-UHFFFAOYSA-N 0 0 338.367 3.612 10 0 EHAERN COc1ccc(Oc2ncnc(Oc3ccccc3OC)c2N)cc1 ZINC000040802191 213387593 /nfs/dbraw/zinc/38/75/93/213387593.db2.gz ILMFVZUUJVAKSO-UHFFFAOYSA-N 0 0 339.351 3.661 10 0 EHAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1 ZINC000040782513 213386868 /nfs/dbraw/zinc/38/68/68/213386868.db2.gz YPMTVUJJAQXHLI-UHFFFAOYSA-N 0 0 327.338 3.693 10 0 EHAERN CN(c1ccccc1)c1ncnc(Nc2cccnc2Cl)c1N ZINC000040757944 213383100 /nfs/dbraw/zinc/38/31/00/213383100.db2.gz ZRNCMSOUESYWIY-UHFFFAOYSA-N 0 0 326.791 3.619 10 0 EHAERN Nc1c(Nc2cccc3cccnc32)ncnc1Oc1cccnc1 ZINC000040758440 213383272 /nfs/dbraw/zinc/38/32/72/213383272.db2.gz ZGMIEGZLXJPXBJ-UHFFFAOYSA-N 0 0 330.351 3.538 10 0 EHAERN COc1cccc(Nc2ncnc(Nc3ccccc3F)c2N)c1 ZINC000040688019 213369942 /nfs/dbraw/zinc/36/99/42/213369942.db2.gz XAEIKFVKQPKPRY-UHFFFAOYSA-N 0 0 325.347 3.694 10 0 EHAERN Cc1cccc(Nc2ncnc(Nc3ccccc3Cl)c2N)n1 ZINC000040685546 213369860 /nfs/dbraw/zinc/36/98/60/213369860.db2.gz RVZLOJPXZPUVSY-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN C=CC(=O)NCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040194103 213280371 /nfs/dbraw/zinc/28/03/71/213280371.db2.gz YGYXKCRJYBMGLP-UHFFFAOYSA-N 0 0 333.435 3.812 10 0 EHAERN Cn1cc(C(=O)Nc2cc(F)cc(F)c2)c(=O)c2cccc(Cl)c21 ZINC000039962996 213246587 /nfs/dbraw/zinc/24/65/87/213246587.db2.gz PGDYUKCGDRUZLM-UHFFFAOYSA-N 0 0 348.736 3.722 10 0 EHAERN Cc1ccc([C@@H]2SCCN2C(=O)COc2ccccc2)cc1C ZINC000038149960 213204020 /nfs/dbraw/zinc/20/40/20/213204020.db2.gz CVJWPKIGDLZJDR-IBGZPJMESA-N 0 0 327.449 3.956 10 0 EHAERN C[C@@H](Nc1cccc(C(N)=O)c1)c1ccc(Br)s1 ZINC000038001907 213185792 /nfs/dbraw/zinc/18/57/92/213185792.db2.gz VJSSYKMVUDPGRR-MRVPVSSYSA-N 0 0 325.231 3.783 10 0 EHAERN CCOC(=O)[C@H](NC1CCCC1)c1ccc(F)c(Br)c1 ZINC000037970750 213177663 /nfs/dbraw/zinc/17/76/63/213177663.db2.gz AINKMXVKUZRPJE-CQSZACIVSA-N 0 0 344.224 3.725 10 0 EHAERN COC(=O)[C@H](NC1CCCCC1)c1ccc(F)c(Br)c1 ZINC000037972015 213177581 /nfs/dbraw/zinc/17/75/81/213177581.db2.gz DGSIFIBKPUXMEC-CQSZACIVSA-N 0 0 344.224 3.725 10 0 EHAERN COc1ccc(NC(=O)Nc2ncc(Br)s2)cc1 ZINC000037437260 213146974 /nfs/dbraw/zinc/14/69/74/213146974.db2.gz PJCOUNOKNLPDEO-UHFFFAOYSA-N 0 0 328.191 3.558 10 0 EHAERN C[C@@H](OC[C@H]1CCCCO1)C(=O)c1ccc(Br)cc1 ZINC000037345067 213140766 /nfs/dbraw/zinc/14/07/66/213140766.db2.gz FNIQDKKYDGZDPT-BXUZGUMPSA-N 0 0 327.218 3.606 10 0 EHAERN CC(C)n1cc(Br)cc1C(=O)N[C@H](C)c1ccncc1 ZINC000036860491 213125100 /nfs/dbraw/zinc/12/51/00/213125100.db2.gz AWWSJBPMYHTMJM-LLVKDONJSA-N 0 0 336.233 3.718 10 0 EHAERN Cc1cc(NC(=O)c2ccco2)c2cc(C(=O)OC(C)C)ccc2n1 ZINC000032606216 212816050 /nfs/dbraw/zinc/81/60/50/212816050.db2.gz LJYYZOPPYWVQJJ-UHFFFAOYSA-N 0 0 338.363 3.954 10 0 EHAERN C[C@@H]1CN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)O1 ZINC000072101572 216008580 /nfs/dbraw/zinc/00/85/80/216008580.db2.gz QYRPYJLUJUNXNC-VXGBXAGGSA-N 0 0 340.345 3.970 10 0 EHAERN COc1ccc(-n2ccnc2-c2cnc(C3CCCCC3)nc2)cn1 ZINC000072141987 216027997 /nfs/dbraw/zinc/02/79/97/216027997.db2.gz JAGNEWYFZQLXDS-UHFFFAOYSA-N 0 0 335.411 3.781 10 0 EHAERN C[C@H]1CCCN(c2nc(Br)c(Br)s2)C1 ZINC000072192929 216068050 /nfs/dbraw/zinc/06/80/50/216068050.db2.gz UCLLMFMJNLGDAR-LURJTMIESA-N 0 0 340.084 3.904 10 0 EHAERN O=C(c1ccccc1)N1CCN=C1Nc1c(Cl)cccc1Cl ZINC000031297702 212730363 /nfs/dbraw/zinc/73/03/63/212730363.db2.gz YHEMKMZUJKPOCO-UHFFFAOYSA-N 0 0 334.206 3.917 10 0 EHAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000000162073 209459320 /nfs/dbraw/zinc/45/93/20/209459320.db2.gz ACAWGULOCOEAFW-SGIREYDYSA-N 0 0 327.877 3.833 10 0 EHAERN COc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000072412563 216205116 /nfs/dbraw/zinc/20/51/16/216205116.db2.gz KVIFMTVEFGKJQI-INIZCTEOSA-N 0 0 345.855 3.743 10 0 EHAERN CN(C)C(=O)CCNc1c(Cl)cc(Br)cc1Cl ZINC000037897895 213172890 /nfs/dbraw/zinc/17/28/90/213172890.db2.gz NRINZKWJMGDCSA-UHFFFAOYSA-N 0 0 340.048 3.646 10 0 EHAERN COC(=O)[C@@H](Nc1ccccc1Br)c1ccsc1 ZINC000037959998 213176705 /nfs/dbraw/zinc/17/67/05/213176705.db2.gz RJHHFIUPFBGZLF-LBPRGKRZSA-N 0 0 326.215 3.837 10 0 EHAERN CCOC(=O)CCNc1cc(Cl)nc(-c2ccc(Cl)cc2)n1 ZINC000073737664 216419609 /nfs/dbraw/zinc/41/96/09/216419609.db2.gz ZBYVNGINEONING-UHFFFAOYSA-N 0 0 340.210 3.816 10 0 EHAERN Cc1noc(-c2cccc(F)c2)c1C(=O)NCCOc1ccccc1 ZINC000022647500 212315109 /nfs/dbraw/zinc/31/51/09/212315109.db2.gz SDJRDHVNPJSHCS-UHFFFAOYSA-N 0 0 340.354 3.598 10 0 EHAERN Cc1ccc(N)cc1NC(=O)CCOc1cccc(Br)c1 ZINC000022164406 212280661 /nfs/dbraw/zinc/28/06/61/212280661.db2.gz YWDYEBZLXSYOMW-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN O=C(Nc1ccc(NC(=O)c2cccs2)cc1O)c1ccco1 ZINC000021126126 212210043 /nfs/dbraw/zinc/21/00/43/212210043.db2.gz DHLGEANMSQLTDR-UHFFFAOYSA-N 0 0 328.349 3.551 10 0 EHAERN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)c1cnccn1 ZINC000021142169 212211421 /nfs/dbraw/zinc/21/14/21/212211421.db2.gz WARNHTIITGLQKS-UHFFFAOYSA-N 0 0 349.781 3.926 10 0 EHAERN CCC(CC)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000021127401 212210585 /nfs/dbraw/zinc/21/05/85/212210585.db2.gz QLXSKQZPGMMOKP-UHFFFAOYSA-N 0 0 335.407 3.965 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(F)cc3F)CC2=O)c1 ZINC000020373484 212123758 /nfs/dbraw/zinc/12/37/58/212123758.db2.gz NPOLQFVGQLBBGS-ZDUSSCGKSA-N 0 0 344.361 3.573 10 0 EHAERN CCOC(=O)c1sc2nc(C)nc(Nc3ccccc3O)c2c1C ZINC000020325901 212119921 /nfs/dbraw/zinc/11/99/21/212119921.db2.gz FSXOHBZOTPCFBL-UHFFFAOYSA-N 0 0 343.408 3.934 10 0 EHAERN NC(=S)c1ccccc1Nc1ccc(Br)cc1F ZINC000020076378 212099439 /nfs/dbraw/zinc/09/94/39/212099439.db2.gz NNKJKVHYNAKUNJ-UHFFFAOYSA-N 0 0 325.206 3.966 10 0 EHAERN Nc1ccc(Cl)cc1NC(=O)c1ccc(Br)s1 ZINC000019395822 212023835 /nfs/dbraw/zinc/02/38/35/212023835.db2.gz OOGXFOBBUNLVGV-UHFFFAOYSA-N 0 0 331.622 3.999 10 0 EHAERN COc1ccc(OCc2cc(Br)ccc2F)c(N)c1 ZINC000019391863 212023690 /nfs/dbraw/zinc/02/36/90/212023690.db2.gz LIZHIIMVRVPQAE-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)cc1 ZINC000014039754 211673727 /nfs/dbraw/zinc/67/37/27/211673727.db2.gz HKZZUTKDZBTHIN-AWEZNQCLSA-N 0 0 341.407 3.832 10 0 EHAERN CC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000011997353 211277951 /nfs/dbraw/zinc/27/79/51/211277951.db2.gz FHIJJWGFMTUMAL-MRXNPFEDSA-N 0 0 341.407 3.597 10 0 EHAERN CC1(C)CC(=O)c2c[nH]c3nn(-c4ccc(Cl)cc4)c(=O)c-3c2C1 ZINC000009280614 211061381 /nfs/dbraw/zinc/06/13/81/211061381.db2.gz FAZRKGWXURSZOI-UHFFFAOYSA-N 0 0 341.798 3.522 10 0 EHAERN FC(F)(F)N(Cc1ccc(I)cc1)C1CC1 ZINC000095076924 218273717 /nfs/dbraw/zinc/27/37/17/218273717.db2.gz RZVSLTYXXYUZAU-UHFFFAOYSA-N 0 0 341.114 3.775 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(CCCOc2ncccc2O)CC1 ZINC000095083709 218276077 /nfs/dbraw/zinc/27/60/77/218276077.db2.gz MFKWFRLYGOJICW-UHFFFAOYSA-N 0 0 336.432 3.593 10 0 EHAERN C[C@H](OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cnccn1 ZINC000095089455 218279253 /nfs/dbraw/zinc/27/92/53/218279253.db2.gz WRPYOORPZWWDES-GJZGRUSLSA-N 0 0 335.448 3.734 10 0 EHAERN Cc1ccc(OCCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nn1 ZINC000095090213 218280165 /nfs/dbraw/zinc/28/01/65/218280165.db2.gz FROURAWUUGEFEU-HNNXBMFYSA-N 0 0 335.448 3.734 10 0 EHAERN CCN(Cc1cccc(I)c1)C(F)(F)F ZINC000095091154 218280210 /nfs/dbraw/zinc/28/02/10/218280210.db2.gz PYIJOWHTPSHGNR-UHFFFAOYSA-N 0 0 329.103 3.633 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CSCCS3)o2)cc1 ZINC000299743494 258008994 /nfs/dbraw/zinc/00/89/94/258008994.db2.gz NVBNJAZBIHEZID-MELADBBJSA-N 0 0 334.466 3.836 10 0 EHAERN Cc1c(Cl)cccc1N1CCN(C(=O)CC(C)(C)C)[C@@H](C)C1=O ZINC000037288120 132393646 /nfs/dbraw/zinc/39/36/46/132393646.db2.gz LRPGGOPROTZZRI-ZDUSSCGKSA-N 0 0 336.863 3.648 10 0 EHAERN O=C1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC000070452012 135617910 /nfs/dbraw/zinc/61/79/10/135617910.db2.gz FDEOABAXQNZVKA-UHFFFAOYSA-N 0 0 329.403 3.980 10 0 EHAERN CCCOC(=O)c1nc2ccccc2nc1Sc1ccccc1N ZINC000057341231 520226421 /nfs/dbraw/zinc/22/64/21/520226421.db2.gz FJTMDUGDINBSRU-UHFFFAOYSA-N 0 0 339.420 3.930 10 0 EHAERN COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)[C@H]3CCCO3)ccc2c1 ZINC000027865922 525638370 /nfs/dbraw/zinc/63/83/70/525638370.db2.gz XPWLJSJBCMNXNW-CKFHNAJUSA-N 0 0 327.424 3.636 10 0 EHAERN Cc1ccc(C(=O)N2C(=O)S/C(=C\c3cccc(O)c3)C2=O)cc1 ZINC000003032698 563469791 /nfs/dbraw/zinc/46/97/91/563469791.db2.gz FAOKKJFKAMWATI-GDNBJRDFSA-N 0 0 339.372 3.577 10 0 EHAERN CCCNC(=O)c1sc2ncnc(N(C)C3CCCCC3)c2c1C ZINC000033078866 563963400 /nfs/dbraw/zinc/96/34/00/563963400.db2.gz YVNPIXCXBMKZGL-UHFFFAOYSA-N 0 0 346.500 3.908 10 0 EHAERN Cc1cc(O)cc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000077293619 563968790 /nfs/dbraw/zinc/96/87/90/563968790.db2.gz IHMIBONFSMMQPV-HNNXBMFYSA-N 0 0 348.443 3.737 10 0 in-vitro EHAERN O=C(Nc1ccccc1-c1ncc2n1CCCC2)NC1CC(F)(F)C1 ZINC000575603538 564082312 /nfs/dbraw/zinc/08/23/12/564082312.db2.gz DUFARVALBQAMIG-UHFFFAOYSA-N 0 0 346.381 3.806 10 0 EHAERN CC1=C(NN(C)c2cccc(Cl)c2)C(=O)N(C2CCCCC2)C1 ZINC000000044529 564082406 /nfs/dbraw/zinc/08/24/06/564082406.db2.gz JKKRUVBISYQSBD-UHFFFAOYSA-N 0 0 333.863 3.730 10 0 EHAERN CC(C)C(=O)[C@H]1CCCN(c2cc(Br)ccc2F)C1=O ZINC000536951735 564091752 /nfs/dbraw/zinc/09/17/52/564091752.db2.gz ZVBYUCNQZHTLOW-LLVKDONJSA-N 0 0 342.208 3.556 10 0 EHAERN CC(C)C(=O)[C@@H]1CCCN(c2cccc(Br)c2F)C1=O ZINC000536950824 564091755 /nfs/dbraw/zinc/09/17/55/564091755.db2.gz LVKRXYFIFURCJO-JTQLQIEISA-N 0 0 342.208 3.556 10 0 EHAERN CC1(C)CC(=O)N(CC(=O)N2CCCCCC2)c2ccccc2S1 ZINC000006820309 564098764 /nfs/dbraw/zinc/09/87/64/564098764.db2.gz QRLCQJFTJSOSHA-UHFFFAOYSA-N 0 0 346.496 3.697 10 0 EHAERN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Br)[C@H](C(=O)[O-])C1 ZINC000719421835 978003513 /nfs/dbraw/zinc/00/35/13/978003513.db2.gz MLHPOMMJDVHJTR-SKDRFNHKSA-N 0 0 346.652 3.788 10 0 EHAERN O=C(N(c1ccccc1)c1ccccc1)N1CCC(n2cncn2)CC1 ZINC000182532986 1032106674 /nfs/dbraw/zinc/10/66/74/1032106674.db2.gz SEVGBGZFJSLGTC-UHFFFAOYSA-N 0 0 347.422 3.873 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCCO[C@H]3CC(C)C)nc21 ZINC000187490793 1015261771 /nfs/dbraw/zinc/26/17/71/1015261771.db2.gz AXAGWBOPPMWDEY-RDJZCZTQSA-N 0 0 343.471 3.514 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCOC3(CCCC3)C2)cs1 ZINC000187622636 1015337940 /nfs/dbraw/zinc/33/79/40/1015337940.db2.gz UAKKNJFQCQUFRZ-HOCLYGCPSA-N 0 0 349.500 3.790 10 0 EHAERN CSc1ccc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000177987048 1016508863 /nfs/dbraw/zinc/50/88/63/1016508863.db2.gz FTJLRQMAWSEDGR-PXAZEXFGSA-N 0 0 339.888 3.829 10 0 EHAERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000407994080 1016777976 /nfs/dbraw/zinc/77/79/76/1016777976.db2.gz ZXLKYBRVNQGTIS-ONIAQPFYSA-N 0 0 344.455 3.782 10 0 EHAERN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CC[C@H]4CCC[C@H]43)n2)n1 ZINC000330016887 1016827080 /nfs/dbraw/zinc/82/70/80/1016827080.db2.gz QGBAEAINIXXFIM-UKRRQHHQSA-N 0 0 344.846 3.552 10 0 EHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NC2CCC(F)(F)CC2)no1 ZINC000408020775 1016992393 /nfs/dbraw/zinc/99/23/93/1016992393.db2.gz IUSMEXDMAPXACI-GFCCVEGCSA-N 0 0 342.390 3.617 10 0 EHAERN c1coc(-c2nc(CN3CCCN(c4ccccn4)CC3)cs2)c1 ZINC000183807308 1032230935 /nfs/dbraw/zinc/23/09/35/1032230935.db2.gz FUMDXQJSWBOESB-UHFFFAOYSA-N 0 0 340.452 3.510 10 0 EHAERN CCc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1F ZINC000184134936 1032257017 /nfs/dbraw/zinc/25/70/17/1032257017.db2.gz PEGQDURSOUNKNK-UHFFFAOYSA-N 0 0 342.418 3.527 10 0 EHAERN C[C@@H](CNC(=O)N1CC=C(c2cccs2)CC1)c1nccs1 ZINC000184265506 1032279220 /nfs/dbraw/zinc/27/92/20/1032279220.db2.gz NQMFVOMXCYVCKG-LBPRGKRZSA-N 0 0 333.482 3.807 10 0 EHAERN CC(=O)c1ccc(OCCC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000184694974 1032318787 /nfs/dbraw/zinc/31/87/87/1032318787.db2.gz HPIPXMQVQFJPAN-UHFFFAOYSA-N 0 0 349.430 3.732 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)nc21 ZINC000184780936 1032333463 /nfs/dbraw/zinc/33/34/63/1032333463.db2.gz ZNEHQNBDTDFQQV-KSSFIOAISA-N 0 0 348.450 3.809 10 0 EHAERN CC(=O)N1CC[C@@H](NC(=O)C2CCCCCC2)c2ccc(F)cc2C1 ZINC000185505321 1032436571 /nfs/dbraw/zinc/43/65/71/1032436571.db2.gz KSSQLNYOPXURKV-LJQANCHMSA-N 0 0 346.446 3.706 10 0 EHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCCC[C@H]1c1nccs1 ZINC000176146218 1017314259 /nfs/dbraw/zinc/31/42/59/1017314259.db2.gz VBXVOHUIAYQUDH-GJZGRUSLSA-N 0 0 343.452 3.904 10 0 EHAERN Cc1nnc(N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)s1 ZINC000091483289 1032704138 /nfs/dbraw/zinc/70/41/38/1032704138.db2.gz ZRHPXRFXNKYLRG-AWEZNQCLSA-N 0 0 325.441 3.621 10 0 EHAERN C[C@@H](NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)C1CCOCC1 ZINC000246361428 1017726752 /nfs/dbraw/zinc/72/67/52/1017726752.db2.gz KCXYAHZWIPHSFO-VFVRVIDISA-N 0 0 334.435 3.563 10 0 EHAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)NC12CC3CC(CC(C3)C1)C2 ZINC000074831754 1017999609 /nfs/dbraw/zinc/99/96/09/1017999609.db2.gz OCPHAQSHAAQFCE-XOUIXPDISA-N 0 0 342.487 3.635 10 0 EHAERN COC(=O)C[C@@H](C)SCc1noc(-c2ccccc2Cl)n1 ZINC000078815847 1018041766 /nfs/dbraw/zinc/04/17/66/1018041766.db2.gz JETPCXQUKYJBNB-SECBINFHSA-N 0 0 326.805 3.575 10 0 EHAERN Cc1cccc2ncnc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)c12 ZINC000275680167 1018090546 /nfs/dbraw/zinc/09/05/46/1018090546.db2.gz QBTAOAXTBJORIF-QGZVFWFLSA-N 0 0 333.439 3.882 10 0 EHAERN CC(C)CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000052166914 1018771257 /nfs/dbraw/zinc/77/12/57/1018771257.db2.gz OTUWLAXICUZXKB-UHFFFAOYSA-N 0 0 343.393 3.575 10 0 EHAERN CC1(C)C(CNC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1(C)C ZINC000333252531 1018962985 /nfs/dbraw/zinc/96/29/85/1018962985.db2.gz SGFDPUXZQQZTER-OLZOCXBDSA-N 0 0 336.501 3.950 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)o2)cc1 ZINC000305140524 1018977913 /nfs/dbraw/zinc/97/79/13/1018977913.db2.gz MEWHRUMCONUDGW-KNBMTAEXSA-N 0 0 341.455 3.733 10 0 EHAERN CCCc1nc(C)c(CNC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)o1 ZINC000333472080 1019675225 /nfs/dbraw/zinc/67/52/25/1019675225.db2.gz GALKUPXEBATXTK-QZNHQWIBSA-N 0 0 331.460 3.513 10 0 EHAERN Cc1cc(Cl)c(NC(=O)N2CCC[C@@H](C)[C@H]2CO)cc1Cl ZINC000089876614 1020317469 /nfs/dbraw/zinc/31/74/69/1020317469.db2.gz XHFHWGDSBOOVAF-YMTOWFKASA-N 0 0 331.243 3.927 10 0 EHAERN CN(C(=O)/C=C/c1ccncn1)c1ccccc1Oc1ccccc1 ZINC000588403059 1020547609 /nfs/dbraw/zinc/54/76/09/1020547609.db2.gz CTZPRHFYNFMHTM-VAWYXSNFSA-N 0 0 331.375 3.945 10 0 EHAERN CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(n2cncn2)CC1 ZINC000115352291 1020803275 /nfs/dbraw/zinc/80/32/75/1020803275.db2.gz XEMRZNPUXFHAHB-SFHVURJKSA-N 0 0 332.492 3.684 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000246492739 1021130444 /nfs/dbraw/zinc/13/04/44/1021130444.db2.gz PJRTVFQHRBDMFG-DDUZABMNSA-N 0 0 341.455 3.764 10 0 EHAERN CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000246523062 1021212075 /nfs/dbraw/zinc/21/20/75/1021212075.db2.gz KUMHBJIGTIPFHB-CGTJXYLNSA-N 0 0 330.472 3.503 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc4c(n3)CCCC4=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333703400 1021516275 /nfs/dbraw/zinc/51/62/75/1021516275.db2.gz RUBNZCCGZLARFH-VVILHGPQSA-N 0 0 339.439 3.501 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cs1 ZINC000188011423 1021569576 /nfs/dbraw/zinc/56/95/76/1021569576.db2.gz DGPDJCQNOFEOBK-HNNXBMFYSA-N 0 0 336.482 3.594 10 0 EHAERN C[C@@]12CN(C(=O)Nc3cc4c(cc3Cl)OCO4)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333850091 1022295913 /nfs/dbraw/zinc/29/59/13/1022295913.db2.gz PGMANZJEGFJKDA-LEGQTRPTSA-N 0 0 348.830 3.969 10 0 EHAERN O=C(c1cc(Cl)ccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127577150 1022378865 /nfs/dbraw/zinc/37/88/65/1022378865.db2.gz FSVWKDCXMRHREG-BDJLRTHQSA-N 0 0 328.239 3.761 10 0 EHAERN Cc1cc(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)nn1C1CCCCC1 ZINC000328945746 1022537121 /nfs/dbraw/zinc/53/71/21/1022537121.db2.gz VFMLCDRZMMRLOD-GJZGRUSLSA-N 0 0 333.476 3.630 10 0 EHAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000328925844 1022547878 /nfs/dbraw/zinc/54/78/78/1022547878.db2.gz FAQWCWZAFCATHW-BRWVUGGUSA-N 0 0 344.503 3.884 10 0 EHAERN CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000101696282 1022664064 /nfs/dbraw/zinc/66/40/64/1022664064.db2.gz IJFZKAUFKYWVAX-JQFCIGGWSA-N 0 0 348.874 3.592 10 0 EHAERN CC[C@H](CNC(=O)/C=C\c1ncccc1C)Oc1ccccc1F ZINC000588454473 1023058511 /nfs/dbraw/zinc/05/85/11/1023058511.db2.gz TUHAVNXSHPCMAE-JQPIKURYSA-N 0 0 328.387 3.516 10 0 EHAERN C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC000056420161 1023244924 /nfs/dbraw/zinc/24/49/24/1023244924.db2.gz SFGCLPQULURONG-AWEZNQCLSA-N 0 0 347.503 3.601 10 0 EHAERN Cc1c(NC(=O)N[C@@H]2CCCc3c(O)cccc32)cccc1N(C)C ZINC000190137796 1023255384 /nfs/dbraw/zinc/25/53/84/1023255384.db2.gz GVIDQJFMUGTRCY-QGZVFWFLSA-N 0 0 339.439 3.966 10 0 EHAERN Cc1ccc(/C=C\CC(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000588479617 1023893203 /nfs/dbraw/zinc/89/32/03/1023893203.db2.gz RMENIWRQFCLPTK-WAYWQWQTSA-N 0 0 335.447 3.909 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113893930 1024031884 /nfs/dbraw/zinc/03/18/84/1024031884.db2.gz NQFOEWKAZQLWRR-GVDBMIGSSA-N 0 0 329.831 3.920 10 0 EHAERN C[C@@H]1CCC[C@@H]1c1nc(-c2cccc(CN3CCCC3=O)c2)no1 ZINC000329723431 1024146518 /nfs/dbraw/zinc/14/65/18/1024146518.db2.gz NRTKGRNZFNSCMK-CJNGLKHVSA-N 0 0 325.412 3.763 10 0 EHAERN CCC[C@@H]1CCCCN1C(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000183050597 1024162190 /nfs/dbraw/zinc/16/21/90/1024162190.db2.gz KFQGMWUNVZNKGZ-OAHLLOKOSA-N 0 0 341.455 3.772 10 0 EHAERN C[C@@H]1CC(c2noc(-c3cnc4c(c3)NC(=O)CO4)n2)C[C@@H](C)C1 ZINC000329737159 1024167198 /nfs/dbraw/zinc/16/71/98/1024167198.db2.gz SXRBSFUNIHIFGY-UWVGGRQHSA-N 0 0 328.372 3.652 10 0 EHAERN C[C@@H]1CCCC[C@H]1OCc1noc(C(F)(F)C2CCOCC2)n1 ZINC000329760589 1024183622 /nfs/dbraw/zinc/18/36/22/1024183622.db2.gz QIUOPHZNMYSJJW-DGCLKSJQSA-N 0 0 330.375 3.683 10 0 EHAERN CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000330219003 1024357228 /nfs/dbraw/zinc/35/72/28/1024357228.db2.gz PDPWRSNZTJLXHE-IKGGRYGDSA-N 0 0 349.475 3.663 10 0 EHAERN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccn2C2CCCC2)C1 ZINC000184300544 1024395909 /nfs/dbraw/zinc/39/59/09/1024395909.db2.gz BAOUHEQIUKRQCP-MRXNPFEDSA-N 0 0 346.471 3.797 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3ccn(C4CCCC4)n3)CC2)n1 ZINC000151682163 1024414076 /nfs/dbraw/zinc/41/40/76/1024414076.db2.gz YYMHKZJNTJIZTL-UHFFFAOYSA-N 0 0 344.484 3.783 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000280940685 1024456659 /nfs/dbraw/zinc/45/66/59/1024456659.db2.gz FPSMAJZJMDXIBK-OWYHZJEWSA-N 0 0 346.446 3.538 10 0 EHAERN CC(C)c1csc([C@H]2CCCN(Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330301473 1024594830 /nfs/dbraw/zinc/59/48/30/1024594830.db2.gz IZSOHYMZSGJYGV-ZDUSSCGKSA-N 0 0 333.505 3.888 10 0 EHAERN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(N2CCNC2=O)c1C ZINC000138164080 1024690781 /nfs/dbraw/zinc/69/07/81/1024690781.db2.gz OTQAKPCAVHXITE-MAUKXSAKSA-N 0 0 343.471 3.565 10 0 EHAERN C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000151808470 1024713117 /nfs/dbraw/zinc/71/31/17/1024713117.db2.gz DBHFJXLBSDXZRY-SICOMBFOSA-N 0 0 342.418 3.595 10 0 EHAERN Cc1nc(C[S@@](=O)Cc2coc(-c3ccc(F)cc3)n2)cs1 ZINC000105685311 1024987897 /nfs/dbraw/zinc/98/78/97/1024987897.db2.gz KJTQYKYBYDBAHF-JOCHJYFZSA-N 0 0 336.413 3.695 10 0 EHAERN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000588499105 1025225037 /nfs/dbraw/zinc/22/50/37/1025225037.db2.gz PWQCHONLHRNWND-XMNQGQKYSA-N 0 0 336.426 3.819 10 0 EHAERN Cc1noc([C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(C(C)C)cc3)C2)n1 ZINC000329086414 1025594651 /nfs/dbraw/zinc/59/46/51/1025594651.db2.gz UQKQZZBHDRGKSN-SQNIBIBYSA-N 0 0 339.439 3.621 10 0 EHAERN O=S(=O)(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccsc1 ZINC000329087504 1025594882 /nfs/dbraw/zinc/59/48/82/1025594882.db2.gz VGAFIKWCZHMHKC-HNNXBMFYSA-N 0 0 349.477 3.863 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)no1 ZINC000329265296 1025705967 /nfs/dbraw/zinc/70/59/67/1025705967.db2.gz FTOLWNMINGACNN-FHWLQOOXSA-N 0 0 347.418 3.998 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@@H](C)C1 ZINC000333696802 1025973822 /nfs/dbraw/zinc/97/38/22/1025973822.db2.gz RBOIJUDXQMPKJJ-OLZOCXBDSA-N 0 0 337.489 3.937 10 0 EHAERN O=C(N1CCCC1)N1CCC[C@H](c2nc(CC3=CCCCC3)no2)C1 ZINC000329556491 1025997740 /nfs/dbraw/zinc/99/77/40/1025997740.db2.gz HJBVTFVWIWBPAM-INIZCTEOSA-N 0 0 344.459 3.508 10 0 EHAERN CC[C@@H]1C[C@H](c2nc(CCn3c(C)nc4ccccc43)no2)CCO1 ZINC000329615518 1026075796 /nfs/dbraw/zinc/07/57/96/1026075796.db2.gz PNLWMCAPBDCEKV-HUUCEWRRSA-N 0 0 340.427 3.643 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C(C)=O)cs3)C2)cc1 ZINC000122067069 1026173787 /nfs/dbraw/zinc/17/37/87/1026173787.db2.gz IFIYYNTZCXLTAK-DOMZBBRYSA-N 0 0 343.448 3.978 10 0 EHAERN CN(Cc1csc(Br)c1)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000122138737 1026252466 /nfs/dbraw/zinc/25/24/66/1026252466.db2.gz MDPLKCKFGBVYNT-QWRGUYRKSA-N 0 0 340.242 3.866 10 0 EHAERN CCCOC(=O)[C@@H](OC(=O)/C=C\c1scnc1C)c1ccccc1 ZINC000588522039 1026349799 /nfs/dbraw/zinc/34/97/99/1026349799.db2.gz PBNNVQLQMOGRND-IBSYWUHOSA-N 0 0 345.420 3.702 10 0 EHAERN Cc1cccc(N2CCC(Nc3ccc(Br)cn3)CC2)n1 ZINC000301336929 1026766832 /nfs/dbraw/zinc/76/68/32/1026766832.db2.gz CNTCLVLPAMJTDR-UHFFFAOYSA-N 0 0 347.260 3.628 10 0 EHAERN COCc1nsc(N[C@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000301692297 1026904695 /nfs/dbraw/zinc/90/46/95/1026904695.db2.gz ZCRFYDCRDNYOTF-OAHLLOKOSA-N 0 0 346.843 3.934 10 0 EHAERN CC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1c(C)noc1C ZINC000123272121 1027080509 /nfs/dbraw/zinc/08/05/09/1027080509.db2.gz FMGWERIYFKPLJB-UONOGXRCSA-N 0 0 348.472 3.788 10 0 EHAERN c1ccc(OC2CCN(Cc3noc(-c4ccccc4)n3)CC2)cc1 ZINC000125823306 1027131101 /nfs/dbraw/zinc/13/11/01/1027131101.db2.gz ILDMFAUDTVQGMP-UHFFFAOYSA-N 0 0 335.407 3.780 10 0 EHAERN CCOCCCCNC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000047357444 1027565399 /nfs/dbraw/zinc/56/53/99/1027565399.db2.gz JTELHXRDMRCFIK-UHFFFAOYSA-N 0 0 344.459 3.701 10 0 EHAERN O=C(NCc1cscn1)NCC1(c2cccc(F)c2)CCCCC1 ZINC000101999704 1027796067 /nfs/dbraw/zinc/79/60/67/1027796067.db2.gz LYHSOSXBKABMBK-UHFFFAOYSA-N 0 0 347.459 3.984 10 0 EHAERN Cc1csc(C2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)n1 ZINC000132258339 1027900690 /nfs/dbraw/zinc/90/06/90/1027900690.db2.gz NNQBIJPNONEHKP-ZDUSSCGKSA-N 0 0 347.509 3.733 10 0 EHAERN Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113890575 1027967064 /nfs/dbraw/zinc/96/70/64/1027967064.db2.gz GPLPRYOCDGOGOE-CQSZACIVSA-N 0 0 332.473 3.741 10 0 EHAERN CC(C)n1nnnc1SCc1ncc(-c2ccccc2Cl)o1 ZINC000134056939 1028092678 /nfs/dbraw/zinc/09/26/78/1028092678.db2.gz WGJQLOOBAJCVCE-UHFFFAOYSA-N 0 0 335.820 3.855 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)CCc3ccccc3Cl)CCO2)o1 ZINC000134109611 1028096079 /nfs/dbraw/zinc/09/60/79/1028096079.db2.gz FPMRCNSAFYPQER-QGZVFWFLSA-N 0 0 333.815 3.774 10 0 EHAERN O=C(/C=C/c1c(Cl)cccc1Cl)N1CC[C@]2(CCOC2)C1 ZINC000153578889 1028235405 /nfs/dbraw/zinc/23/54/05/1028235405.db2.gz PJIWJDBFDGLAQQ-APHBUQMISA-N 0 0 326.223 3.646 10 0 EHAERN CC1CCC(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000055489913 1028276910 /nfs/dbraw/zinc/27/69/10/1028276910.db2.gz KEYCRIAEMBKWQL-UHFFFAOYSA-N 0 0 348.512 3.543 10 0 EHAERN CC(C)(C)c1nc(CC(=O)N2CCC[C@@H](c3nccs3)C2)cs1 ZINC000067047373 1028351221 /nfs/dbraw/zinc/35/12/21/1028351221.db2.gz OPJDIHBDHMRUTE-GFCCVEGCSA-N 0 0 349.525 3.846 10 0 EHAERN CC(C)(C)c1nc(CC(=O)N2CCC[C@H](c3nccs3)C2)cs1 ZINC000067047372 1028352145 /nfs/dbraw/zinc/35/21/45/1028352145.db2.gz OPJDIHBDHMRUTE-LBPRGKRZSA-N 0 0 349.525 3.846 10 0 EHAERN O=C(c1ccccc1OC(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000067048534 1028354838 /nfs/dbraw/zinc/35/48/38/1028354838.db2.gz DTPVYHABNQBKEW-LLVKDONJSA-N 0 0 338.379 3.764 10 0 EHAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000067127994 1028356107 /nfs/dbraw/zinc/35/61/07/1028356107.db2.gz CQXXTOQNNMBHAI-UHFFFAOYSA-N 0 0 344.455 3.606 10 0 EHAERN COc1ccc(-c2noc(CN(C)[C@H](C)c3ccco3)n2)cc1OC ZINC000069068790 1028418045 /nfs/dbraw/zinc/41/80/45/1028418045.db2.gz HVNNSECIJNNGQJ-GFCCVEGCSA-N 0 0 343.383 3.540 10 0 EHAERN CO[C@H]1CCC[C@@H]1OC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000069665150 1028436208 /nfs/dbraw/zinc/43/62/08/1028436208.db2.gz ICJVJLPZDDDNOX-GJZGRUSLSA-N 0 0 333.359 3.524 10 0 EHAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000062130963 1028440925 /nfs/dbraw/zinc/44/09/25/1028440925.db2.gz UPBATDBOCLCLNO-UHFFFAOYSA-N 0 0 349.837 3.845 10 0 EHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)Cc1ccc(F)cc1 ZINC000062576084 1028449377 /nfs/dbraw/zinc/44/93/77/1028449377.db2.gz IAQAIOKZKHWTQS-UHFFFAOYSA-N 0 0 338.382 3.691 10 0 EHAERN O=C(Nc1cc2c(cc1Cl)OCO2)[C@@H]1CCCc2cccnc21 ZINC000193909976 1028479267 /nfs/dbraw/zinc/47/92/67/1028479267.db2.gz UBWXLHCCRGIHRM-LLVKDONJSA-N 0 0 330.771 3.522 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@H](C)CC2CCCC2)c2ccccc2)[nH]1 ZINC000072574993 1028506866 /nfs/dbraw/zinc/50/68/66/1028506866.db2.gz WBQZQWSWYARAMC-DYVFJYSZSA-N 0 0 326.444 3.535 10 0 EHAERN Cc1nc(Cl)ccc1NC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000194682496 1028532475 /nfs/dbraw/zinc/53/24/75/1028532475.db2.gz ZZJBFIFGDLPQHD-MFKMUULPSA-N 0 0 331.803 3.730 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)NC(=O)CS3)[C@H]2CCCC[C@@H]12 ZINC000248433490 1028535682 /nfs/dbraw/zinc/53/56/82/1028535682.db2.gz QTQBHMQCFZVHST-ZLDLUXBVSA-N 0 0 345.468 3.773 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000074435469 1028614552 /nfs/dbraw/zinc/61/45/52/1028614552.db2.gz HFFIJLYCQKQUOK-MAUKXSAKSA-N 0 0 344.503 3.579 10 0 EHAERN C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)O1 ZINC000246576927 1028663347 /nfs/dbraw/zinc/66/33/47/1028663347.db2.gz YZPHMZQTGJHGCF-UTRMSSBJSA-N 0 0 349.446 3.588 10 0 EHAERN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)C[C@@H](c2ccsc2)O1 ZINC000246590541 1028667022 /nfs/dbraw/zinc/66/70/22/1028667022.db2.gz TWAYMCCETNIVAD-SUZMYJTESA-N 0 0 334.268 3.620 10 0 EHAERN CCOc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)n2)cn1 ZINC000153728475 1028667510 /nfs/dbraw/zinc/66/75/10/1028667510.db2.gz KLQLWKRJQGKYHE-INIZCTEOSA-N 0 0 326.400 3.553 10 0 EHAERN CCC[C@@H]1C[C@H](C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)CCO1 ZINC000248522864 1028883430 /nfs/dbraw/zinc/88/34/30/1028883430.db2.gz BYGYYPRBDSAAQF-DLVXIWMQSA-N 0 0 345.483 3.995 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000248597000 1028923598 /nfs/dbraw/zinc/92/35/98/1028923598.db2.gz TVGOJNRBQKADLT-QLPKVWCKSA-N 0 0 329.488 3.547 10 0 EHAERN COCCc1ccccc1NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000248890117 1028961523 /nfs/dbraw/zinc/96/15/23/1028961523.db2.gz YQVRAYIRPURQNG-QWFCFKBJSA-N 0 0 336.435 3.583 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)[C@@H]2CCCC[C@H]21 ZINC000249278872 1028972437 /nfs/dbraw/zinc/97/24/37/1028972437.db2.gz FLXDXWLIFNPWIU-XOKHGSTOSA-N 0 0 339.443 3.525 10 0 EHAERN CN1CC[C@@H](NC(=O)Nc2ccsc2)[C@H]1c1ccc(F)c(F)c1 ZINC000249107608 1028985891 /nfs/dbraw/zinc/98/58/91/1028985891.db2.gz XJLZWLWXASVOPC-HUUCEWRRSA-N 0 0 337.395 3.593 10 0 EHAERN CC(C)c1nnc2n1CCN([C@H](C)CCc1cccc(F)c1)[C@@H]2C ZINC000249154239 1028994127 /nfs/dbraw/zinc/99/41/27/1028994127.db2.gz HYSCKHFNLSSVAE-HUUCEWRRSA-N 0 0 330.451 3.939 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000249414020 1029000776 /nfs/dbraw/zinc/00/07/76/1029000776.db2.gz YONOCSXEDAGOBJ-QAQDUYKDSA-N 0 0 329.488 3.691 10 0 EHAERN Clc1nc(NC2CCN(c3ncccn3)CC2)cc2ccccc21 ZINC000076751474 1029042373 /nfs/dbraw/zinc/04/23/73/1029042373.db2.gz IDXFEDKKINFOKR-UHFFFAOYSA-N 0 0 339.830 3.759 10 0 EHAERN C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)c1ccncc1 ZINC000076944397 1029060572 /nfs/dbraw/zinc/06/05/72/1029060572.db2.gz ZSJAREYSYBLZST-JKIFEVAISA-N 0 0 327.403 3.869 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C1(Cc2ccccc2Cl)CC1 ZINC000251646042 1029141564 /nfs/dbraw/zinc/14/15/64/1029141564.db2.gz HIZLWLHIZDXSBW-UAGQMJEPSA-N 0 0 333.859 3.737 10 0 EHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@@H]1c1ccccc1 ZINC000077854783 1029161828 /nfs/dbraw/zinc/16/18/28/1029161828.db2.gz OUJCVCBNVIVLGX-VQTJNVASSA-N 0 0 338.451 3.699 10 0 EHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CC=C(c2cccs2)CC1 ZINC000245733165 1029192326 /nfs/dbraw/zinc/19/23/26/1029192326.db2.gz AZTCUKRFEPSKCS-DJIMGWMZSA-N 0 0 344.480 3.504 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccnc3Cl)C2)cc1 ZINC000078187610 1029238902 /nfs/dbraw/zinc/23/89/02/1029238902.db2.gz QTHHQHGJZCFFHA-OCCSQVGLSA-N 0 0 330.815 3.762 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3ccccc3O)C2)cc1 ZINC000078187563 1029240595 /nfs/dbraw/zinc/24/05/95/1029240595.db2.gz CTQSBOZKHHTXAD-YJBOKZPZSA-N 0 0 339.435 3.738 10 0 EHAERN O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246043018 1029595567 /nfs/dbraw/zinc/59/55/67/1029595567.db2.gz OEGWHSPZERLUFA-BIMULSAOSA-N 0 0 330.762 3.697 10 0 EHAERN CN(c1ccccc1)C1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000079704622 1029697976 /nfs/dbraw/zinc/69/79/76/1029697976.db2.gz FPTVRYQBIGCQQI-MRXNPFEDSA-N 0 0 341.282 3.698 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H](c3ccccc3)C3CC3)CC2)nc1 ZINC000156014720 1029732734 /nfs/dbraw/zinc/73/27/34/1029732734.db2.gz ZOIPEZJRXOAFMG-NRFANRHFSA-N 0 0 349.478 3.669 10 0 EHAERN Cn1cc(C(=O)NC2CCN(c3cccs3)CC2)c2ccccc21 ZINC000156095014 1029737257 /nfs/dbraw/zinc/73/72/57/1029737257.db2.gz QPNZFIPUQQBVOW-UHFFFAOYSA-N 0 0 339.464 3.639 10 0 EHAERN Cc1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000114777621 1029746183 /nfs/dbraw/zinc/74/61/83/1029746183.db2.gz QQOHNYRMJRLLJF-AWEZNQCLSA-N 0 0 333.432 3.680 10 0 EHAERN CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114777737 1029747087 /nfs/dbraw/zinc/74/70/87/1029747087.db2.gz COCKNCLYUALKOX-CQSZACIVSA-N 0 0 329.425 3.757 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000114809685 1029835945 /nfs/dbraw/zinc/83/59/45/1029835945.db2.gz RDNDWOYAMDVQII-NSHDSACASA-N 0 0 335.404 3.702 10 0 EHAERN CC(C)NC(=O)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000156803418 1030048994 /nfs/dbraw/zinc/04/89/94/1030048994.db2.gz HNCWBIAOTAZGMU-UHFFFAOYSA-N 0 0 348.446 3.754 10 0 EHAERN Fc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c(F)c1 ZINC000090202421 1030089734 /nfs/dbraw/zinc/08/97/34/1030089734.db2.gz MANHSAGAHKZEEB-HNNXBMFYSA-N 0 0 335.741 3.880 10 0 EHAERN O=C(/C=C/c1ccnc(Cl)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000090527411 1030137819 /nfs/dbraw/zinc/13/78/19/1030137819.db2.gz IUHIKQXDTNFSAM-ITDFMYJTSA-N 0 0 333.844 3.611 10 0 EHAERN C[C@H](O)CN(C)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000091213008 1030242124 /nfs/dbraw/zinc/24/21/24/1030242124.db2.gz UQEGJHUHIXIPDG-XHDPSFHLSA-N 0 0 338.860 3.513 10 0 EHAERN CCCC1(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)CCC1 ZINC000157445401 1030540376 /nfs/dbraw/zinc/54/03/76/1030540376.db2.gz HJEVIFONFKTNMG-OAHLLOKOSA-N 0 0 332.469 3.576 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)N1CCc2cc(Cl)ccc2C1 ZINC000588582179 1030688579 /nfs/dbraw/zinc/68/85/79/1030688579.db2.gz CGWFZPQOXGEQJN-RJRFIUFISA-N 0 0 333.218 3.987 10 0 EHAERN CCn1cc(C(=O)Nc2cccc(-c3ncon3)c2)c2ccccc21 ZINC000170632566 1030692590 /nfs/dbraw/zinc/69/25/90/1030692590.db2.gz NDTBKCZBWFURQW-UHFFFAOYSA-N 0 0 332.363 3.964 10 0 EHAERN O=[S@@](Cc1ncc(-c2ccccc2Cl)o1)Cc1nccs1 ZINC000160434958 1030744326 /nfs/dbraw/zinc/74/43/26/1030744326.db2.gz NWPBDRHSIZZQSC-OAQYLSRUSA-N 0 0 338.841 3.900 10 0 EHAERN CC(C)Oc1cccc(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000171398624 1030758564 /nfs/dbraw/zinc/75/85/64/1030758564.db2.gz SSOGEUJHCDNPRY-IJDCCNJMSA-N 0 0 339.439 3.616 10 0 EHAERN Cc1ccc2cc(C(=O)N3CCC[C@@H](c4nccs4)C3)[nH]c2c1 ZINC000171647318 1030771448 /nfs/dbraw/zinc/77/14/48/1030771448.db2.gz BKNLFEZQDLIMAF-CQSZACIVSA-N 0 0 325.437 3.953 10 0 EHAERN Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171648105 1030771559 /nfs/dbraw/zinc/77/15/59/1030771559.db2.gz IBJNQGBYHFZAJJ-OAHLLOKOSA-N 0 0 330.453 3.545 10 0 EHAERN O=C(c1cccs1)N1CCC(c2nc(-c3ccsc3)no2)CC1 ZINC000171783564 1030817449 /nfs/dbraw/zinc/81/74/49/1030817449.db2.gz VGQDLMZCIAFKRL-UHFFFAOYSA-N 0 0 345.449 3.879 10 0 EHAERN CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000247364320 1031029327 /nfs/dbraw/zinc/02/93/27/1031029327.db2.gz QXJQWBMSSBUGEF-XWTMOSNGSA-N 0 0 348.512 3.880 10 0 EHAERN Cc1ccc(-c2ocnc2C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000173403465 1031084560 /nfs/dbraw/zinc/08/45/60/1031084560.db2.gz NJPLYCHXQPGONS-UHFFFAOYSA-N 0 0 346.346 3.952 10 0 EHAERN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000173470198 1031093144 /nfs/dbraw/zinc/09/31/44/1031093144.db2.gz AOYDCAQCOYIXFZ-CQSZACIVSA-N 0 0 342.443 3.999 10 0 EHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC2(CCCC2)C1 ZINC000173740962 1031100298 /nfs/dbraw/zinc/10/02/98/1031100298.db2.gz WSRRZVOMSKIQBZ-VOTSOKGWSA-N 0 0 345.439 3.518 10 0 EHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CCC(O)CC2)o1 ZINC000174044521 1031157366 /nfs/dbraw/zinc/15/73/66/1031157366.db2.gz HFFQJEJVRWUSPB-VXTDNTOSSA-N 0 0 334.460 3.628 10 0 EHAERN Cc1ccc(F)c(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174072811 1031160541 /nfs/dbraw/zinc/16/05/41/1031160541.db2.gz GDBGYSBSLBEXNL-UHFFFAOYSA-N 0 0 330.378 3.990 10 0 EHAERN CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2csc(C)n2)C12CCC2 ZINC000251699988 1031220300 /nfs/dbraw/zinc/22/03/00/1031220300.db2.gz JBSDTRIQPFDWGE-HRCADAONSA-N 0 0 349.500 3.646 10 0 EHAERN CSC(C)(C)CNC(=O)N1CCC(OCC2CCCC2)CC1 ZINC000175458297 1031337604 /nfs/dbraw/zinc/33/76/04/1031337604.db2.gz CEIRXMDCXLRGTO-UHFFFAOYSA-N 0 0 328.522 3.509 10 0 EHAERN COC[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccco1 ZINC000175742221 1031372413 /nfs/dbraw/zinc/37/24/13/1031372413.db2.gz ZSCMJHXESOLFRN-AWEZNQCLSA-N 0 0 332.425 3.528 10 0 EHAERN C[S@](=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000175767445 1031376145 /nfs/dbraw/zinc/37/61/45/1031376145.db2.gz NKCGUADYEKDSQV-FNIMQGLVSA-N 0 0 348.390 3.667 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2sc(C)nc2C)c2ccccc2)[nH]1 ZINC000178546699 1031678804 /nfs/dbraw/zinc/67/88/04/1031678804.db2.gz TVINHKVJMDKCHM-NHYWBVRUSA-N 0 0 327.457 3.627 10 0 EHAERN CC1(C)CCC[C@@H](C(=O)N2CCCN(C(=O)c3cccs3)CC2)C1 ZINC000178909911 1031719078 /nfs/dbraw/zinc/71/90/78/1031719078.db2.gz MHECTBIJYFMHKY-OAHLLOKOSA-N 0 0 348.512 3.639 10 0 EHAERN COc1c(C)ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1C ZINC000179385647 1031745472 /nfs/dbraw/zinc/74/54/72/1031745472.db2.gz OZWUVSCTOUUTSD-QGZVFWFLSA-N 0 0 344.411 3.819 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3ccc(C)cc3)CCO2)o1 ZINC000179121805 1031751561 /nfs/dbraw/zinc/75/15/61/1031751561.db2.gz URNLWIDOSKWFMD-CRAIPNDOSA-N 0 0 328.412 3.741 10 0 EHAERN CCOc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1OC ZINC000117577912 1031757471 /nfs/dbraw/zinc/75/74/71/1031757471.db2.gz YRWAQPHEFVIZGX-SGTLLEGYSA-N 0 0 327.380 3.597 10 0 EHAERN O=C(c1cccc(-n2ccnc2)c1)N1CC=C(c2cccs2)CC1 ZINC000117721768 1031841181 /nfs/dbraw/zinc/84/11/81/1031841181.db2.gz HAKQPRWFAIXUDT-UHFFFAOYSA-N 0 0 335.432 3.863 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnn(CC(C)C)c3)C2)cc1 ZINC000181037455 1031941079 /nfs/dbraw/zinc/94/10/79/1031941079.db2.gz CHXXOQCPCUOIMP-RDJZCZTQSA-N 0 0 341.455 3.566 10 0 EHAERN CC[C@@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccc(OC)cc1 ZINC000181519049 1031999276 /nfs/dbraw/zinc/99/92/76/1031999276.db2.gz INBUNBBMPQIVIG-MJGOQNOKSA-N 0 0 343.423 3.690 10 0 EHAERN Cc1cc(C)cc(/C=C/C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000181628995 1032014175 /nfs/dbraw/zinc/01/41/75/1032014175.db2.gz SHOLADKZMMTZAK-GHOSXJJBSA-N 0 0 337.467 3.531 10 0 EHAERN Cc1cc(C)cc(/C=C/C(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000181689333 1032017547 /nfs/dbraw/zinc/01/75/47/1032017547.db2.gz FRARMQDFNBEHGS-SNAWJCMRSA-N 0 0 337.467 3.531 10 0 EHAERN CCN(C(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000105907073 1033519039 /nfs/dbraw/zinc/51/90/39/1033519039.db2.gz UUCROPPWBLVXDO-LBPRGKRZSA-N 0 0 335.350 3.794 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C3(CC(C)C)CCC3)CC2)n1 ZINC000120777767 1034102865 /nfs/dbraw/zinc/10/28/65/1034102865.db2.gz GAJQCJDQHVTMFF-UHFFFAOYSA-N 0 0 329.488 3.691 10 0 EHAERN Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c(C)n1 ZINC000101821527 1034257302 /nfs/dbraw/zinc/25/73/02/1034257302.db2.gz MLFXTVQEMXMPQE-UHFFFAOYSA-N 0 0 326.787 3.790 10 0 EHAERN O=C(Nc1ccc(F)nc1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089272126 1034276438 /nfs/dbraw/zinc/27/64/38/1034276438.db2.gz GCMDWQZEIZMJAU-AWEZNQCLSA-N 0 0 335.766 3.559 10 0 EHAERN O=C(Cc1ccc(F)cc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000121090399 1034375383 /nfs/dbraw/zinc/37/53/83/1034375383.db2.gz AMTWCFOBFKJYTA-LBPRGKRZSA-N 0 0 338.835 3.884 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc[nH]c3=S)C2)cc1 ZINC000121303912 1034813673 /nfs/dbraw/zinc/81/36/73/1034813673.db2.gz ZHMBWTNEZSDYFB-JSGCOSHPSA-N 0 0 328.437 3.771 10 0 EHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccsc2)C1 ZINC000121335205 1034833359 /nfs/dbraw/zinc/83/33/59/1034833359.db2.gz GCWZSTSAIVIXSW-LSDHHAIUSA-N 0 0 344.436 3.559 10 0 EHAERN CC[C@H]1CCCCCN1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000172485725 1035512051 /nfs/dbraw/zinc/51/20/51/1035512051.db2.gz BTMKOIARELUICQ-INIZCTEOSA-N 0 0 336.407 3.556 10 0 EHAERN c1cn(-c2ccc(CNCc3ncc(-c4ccccc4)cn3)cc2)cn1 ZINC000185864910 1035551968 /nfs/dbraw/zinc/55/19/68/1035551968.db2.gz FYKQIDCVMFMQGA-UHFFFAOYSA-N 0 0 341.418 3.619 10 0 EHAERN C[C@H](CC1CCCCC1)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186435830 1035633150 /nfs/dbraw/zinc/63/31/50/1035633150.db2.gz PINWSVZVECZYSE-QGZVFWFLSA-N 0 0 329.488 3.727 10 0 EHAERN Cc1nnnn1-c1cccc(N[C@H](C)c2csc(C(C)C)n2)c1 ZINC000186480928 1035642036 /nfs/dbraw/zinc/64/20/36/1035642036.db2.gz WTNYSWMKJXZVSV-LLVKDONJSA-N 0 0 328.445 3.724 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@H](C)C1 ZINC000186635159 1035675532 /nfs/dbraw/zinc/67/55/32/1035675532.db2.gz XOJPGZSTKWLFHE-LALPHHSUSA-N 0 0 330.432 3.610 10 0 EHAERN CN1Cc2cc(NC(=O)N[C@H]3CC34CCCCC4)ccc2NC1=O ZINC000186703541 1035690706 /nfs/dbraw/zinc/69/07/06/1035690706.db2.gz DPRYVGXIOPDRFP-HNNXBMFYSA-N 0 0 328.416 3.508 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3ccc4c(c3)COC(C)(C)O4)CCO2)o1 ZINC000186847211 1035730868 /nfs/dbraw/zinc/73/08/68/1035730868.db2.gz HLZCXIOIHUZQRT-LJQANCHMSA-N 0 0 343.423 3.807 10 0 EHAERN O=C(Nc1ccsc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000186960557 1035753616 /nfs/dbraw/zinc/75/36/16/1035753616.db2.gz HKORKPQFWMBDCL-ZDUSSCGKSA-N 0 0 334.828 3.645 10 0 EHAERN COc1cnccc1[C@@H](C)N[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000187110798 1035764337 /nfs/dbraw/zinc/76/43/37/1035764337.db2.gz BPXQDBQXSPEFPD-ZIAGYGMSSA-N 0 0 338.411 3.860 10 0 EHAERN COC1(C(=O)N2CCC(Nc3ccccc3F)CC2)CCCCC1 ZINC000187218942 1035789381 /nfs/dbraw/zinc/78/93/81/1035789381.db2.gz FTWUDFRZIDVIOZ-UHFFFAOYSA-N 0 0 334.435 3.578 10 0 EHAERN CCCO[C@H]1CCCN(C(=O)Cc2ccc(OC(C)C)cc2)CC1 ZINC000187770412 1035859806 /nfs/dbraw/zinc/85/98/06/1035859806.db2.gz ILQVHOCTNLTCPZ-SFHVURJKSA-N 0 0 333.472 3.824 10 0 EHAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)C1(Cc2ccccc2F)CC1 ZINC000187978376 1035892567 /nfs/dbraw/zinc/89/25/67/1035892567.db2.gz JLUGYNIGRUFBSJ-ROUUACIJSA-N 0 0 341.430 3.645 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000188386862 1035917682 /nfs/dbraw/zinc/91/76/82/1035917682.db2.gz REYIXDWFSUSGAK-RBUKOAKNSA-N 0 0 341.455 3.513 10 0 EHAERN COc1c(C)cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)cc1C ZINC000188471101 1035941178 /nfs/dbraw/zinc/94/11/78/1035941178.db2.gz FHHSLPPOJSNWFJ-OAHLLOKOSA-N 0 0 328.460 3.604 10 0 EHAERN CC(C)c1nnc2n1CCN(Cc1cccc3c1OC(C)(C)C3)[C@H]2C ZINC000188480628 1035941984 /nfs/dbraw/zinc/94/19/84/1035941984.db2.gz LKVDZBNSUIVFIZ-AWEZNQCLSA-N 0 0 340.471 3.692 10 0 EHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000188579231 1035951422 /nfs/dbraw/zinc/95/14/22/1035951422.db2.gz LDOCRBOAMJQVAR-AWEZNQCLSA-N 0 0 342.361 3.803 10 0 EHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCCC[C@@H]1c1ncon1 ZINC000189564328 1036087214 /nfs/dbraw/zinc/08/72/14/1036087214.db2.gz JKOKIZGWUPRZNU-WOSRLPQWSA-N 0 0 347.365 3.595 10 0 EHAERN CC[C@H]1CN(C(=O)Nc2cn(C)nc2C)CC[C@@H]1c1ccccc1 ZINC000189619246 1036100704 /nfs/dbraw/zinc/10/07/04/1036100704.db2.gz VZSIQAIDXWKSNW-RDJZCZTQSA-N 0 0 326.444 3.776 10 0 EHAERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cn(C)nc2C)o1 ZINC000189683879 1036114145 /nfs/dbraw/zinc/11/41/45/1036114145.db2.gz QUOHWBXLCAZHMR-BLLLJJGKSA-N 0 0 330.432 3.889 10 0 EHAERN Fc1cc(F)c(CN2CCC(Nc3nccs3)CC2)cc1F ZINC000189954341 1036166986 /nfs/dbraw/zinc/16/69/86/1036166986.db2.gz MYUMEOWLCWKBQQ-UHFFFAOYSA-N 0 0 327.375 3.637 10 0 EHAERN CCOCCOCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000102309348 1036201547 /nfs/dbraw/zinc/20/15/47/1036201547.db2.gz DZZZDGWBPHQKSW-INIZCTEOSA-N 0 0 347.377 3.572 10 0 EHAERN CCOCCCCNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190195164 1036203152 /nfs/dbraw/zinc/20/31/52/1036203152.db2.gz DEVDVTYGXIFNIE-AWEZNQCLSA-N 0 0 340.414 3.671 10 0 EHAERN Cc1cc(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)nn1C(C)(C)C ZINC000190369734 1036228159 /nfs/dbraw/zinc/22/81/59/1036228159.db2.gz ZGKAFIFKDVFHCG-JSGCOSHPSA-N 0 0 332.448 3.915 10 0 EHAERN CC(C)(Cc1ccccc1)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190391635 1036234401 /nfs/dbraw/zinc/23/44/01/1036234401.db2.gz IWAMEUAJYBDSEA-UHFFFAOYSA-N 0 0 343.496 3.815 10 0 EHAERN O=C(c1ccc(Cl)cc1F)N1CCC(Nc2nccs2)CC1 ZINC000190395847 1036235752 /nfs/dbraw/zinc/23/57/52/1036235752.db2.gz RTUZEPSLGCJZHL-UHFFFAOYSA-N 0 0 339.823 3.652 10 0 EHAERN Cc1ccc(C(C)(C)C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190433637 1036240394 /nfs/dbraw/zinc/24/03/94/1036240394.db2.gz ZQCOPDRSBJEJCH-UHFFFAOYSA-N 0 0 343.496 3.832 10 0 EHAERN Cc1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1Cl ZINC000190447040 1036240779 /nfs/dbraw/zinc/24/07/79/1036240779.db2.gz ZTCYQMUSLGSVPK-UHFFFAOYSA-N 0 0 335.860 3.822 10 0 EHAERN Cc1csc([C@H](C)NC(=O)N[C@H]2CCOc3c(C)cccc32)n1 ZINC000190502265 1036254566 /nfs/dbraw/zinc/25/45/66/1036254566.db2.gz HZBKTELUVBCIHU-JSGCOSHPSA-N 0 0 331.441 3.644 10 0 EHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCCn2ccnc21 ZINC000190785075 1036296543 /nfs/dbraw/zinc/29/65/43/1036296543.db2.gz KUAOPQCMBNDVMY-SECBINFHSA-N 0 0 340.210 3.715 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CN(Cc1cncs1)C1CC1 ZINC000191734199 1036423101 /nfs/dbraw/zinc/42/31/01/1036423101.db2.gz XZALTUOZYSKTDV-CQSZACIVSA-N 0 0 337.489 3.507 10 0 EHAERN COCc1ccc(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000192545813 1036526592 /nfs/dbraw/zinc/52/65/92/1036526592.db2.gz WHXHCZHTRYHHNB-DYVFJYSZSA-N 0 0 326.396 3.519 10 0 EHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000192688641 1036538765 /nfs/dbraw/zinc/53/87/65/1036538765.db2.gz KKLAEZYUCWFPIR-ZFWWWQNUSA-N 0 0 326.362 3.739 10 0 EHAERN COc1cc(SC)ccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000192693680 1036539557 /nfs/dbraw/zinc/53/95/57/1036539557.db2.gz OOWUVHNYJQGQLX-DIFFPNOSSA-N 0 0 329.421 3.920 10 0 EHAERN Cc1ccc(C)c(CC(=O)NCCCCOCc2ccccc2)c1 ZINC000102723996 1036602811 /nfs/dbraw/zinc/60/28/11/1036602811.db2.gz OXJJGIZKGNAYLU-UHFFFAOYSA-N 0 0 325.452 3.959 10 0 EHAERN O=C(CCn1cnc2ccccc21)Nc1nc(-c2ccccn2)cs1 ZINC000102759184 1036760901 /nfs/dbraw/zinc/76/09/01/1036760901.db2.gz CILPNUWBSMNVPL-UHFFFAOYSA-N 0 0 349.419 3.584 10 0 EHAERN CC(=O)Nc1ccc(Cl)cc1NCc1nc(-c2ccoc2)no1 ZINC000105607102 1037201136 /nfs/dbraw/zinc/20/11/36/1037201136.db2.gz PXLRXFMGSKCWHR-UHFFFAOYSA-N 0 0 332.747 3.554 10 0 EHAERN CSCCC(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000105970545 1037265998 /nfs/dbraw/zinc/26/59/98/1037265998.db2.gz IAKYETTWJCTINO-UHFFFAOYSA-N 0 0 347.411 3.841 10 0 EHAERN C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1cccc2ccccc21 ZINC000101773061 1037574070 /nfs/dbraw/zinc/57/40/70/1037574070.db2.gz YDAYHYRWXKEUPV-HNNXBMFYSA-N 0 0 349.438 3.539 10 0 EHAERN O=C(Nc1cc(F)ccc1Cl)NC1CCN(c2ccccn2)CC1 ZINC000102801348 1037585263 /nfs/dbraw/zinc/58/52/63/1037585263.db2.gz URPKXZCZGPQJFU-UHFFFAOYSA-N 0 0 348.809 3.665 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H]3C3CCC3)c2)no1 ZINC000102953975 1037586970 /nfs/dbraw/zinc/58/69/70/1037586970.db2.gz OFKNNRGVKOVYRR-MRXNPFEDSA-N 0 0 326.400 3.841 10 0 EHAERN Cc1nnc([C@@H](NC(=O)N[C@H](C)c2ccccc2C)c2ccccc2)[nH]1 ZINC000105067543 1037599160 /nfs/dbraw/zinc/59/91/60/1037599160.db2.gz ROWJIGITMFRHQO-KDOFPFPSSA-N 0 0 349.438 3.571 10 0 EHAERN Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1C ZINC000113217196 1037779556 /nfs/dbraw/zinc/77/95/56/1037779556.db2.gz NXHSUDKQGAVNPU-KRWDZBQOSA-N 0 0 348.450 3.743 10 0 EHAERN Cc1cc(CNC(=O)N2CCC[C@H](c3nccs3)C2)ccc1F ZINC000114820878 1037809802 /nfs/dbraw/zinc/80/98/02/1037809802.db2.gz IWTWFODNYYBDCC-AWEZNQCLSA-N 0 0 333.432 3.680 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)[C@@H](C)c1cccs1)CCC2 ZINC000332693038 1037949984 /nfs/dbraw/zinc/94/99/84/1037949984.db2.gz VQGUVBSKQIGQMS-UONOGXRCSA-N 0 0 332.473 3.533 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CCO[C@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000332760847 1037953095 /nfs/dbraw/zinc/95/30/95/1037953095.db2.gz YJHUDNDVIVEKRJ-LKTVYLICSA-N 0 0 342.361 3.633 10 0 EHAERN Fc1ccccc1-c1nc(CN2CCCC[C@H]2c2nc[nH]n2)cs1 ZINC000121842667 1037971837 /nfs/dbraw/zinc/97/18/37/1037971837.db2.gz VGSUSAVVBLRKFH-HNNXBMFYSA-N 0 0 343.431 3.795 10 0 EHAERN CCN(C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F)[C@H](C)C(C)C ZINC000124447085 1038188389 /nfs/dbraw/zinc/18/83/89/1038188389.db2.gz KHPOXPVKMPLWBK-MLGOLLRUSA-N 0 0 348.422 3.683 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)c3c(F)cccc3F)CCO2)o1 ZINC000124721951 1038226241 /nfs/dbraw/zinc/22/62/41/1038226241.db2.gz KODTZQWXKMGTRJ-WBMJQRKESA-N 0 0 335.350 3.570 10 0 EHAERN Cc1nc(C)n(-c2ccccc2NC(=O)N2CCCCC(C)(C)C2)n1 ZINC000408441481 1040689648 /nfs/dbraw/zinc/68/96/48/1040689648.db2.gz DZKLXULBTBBFTP-UHFFFAOYSA-N 0 0 341.459 3.928 10 0 EHAERN Cc1cnn([C@H]2CCCN([C@@H](C)c3nnc(-c4cccs4)o3)C2)c1 ZINC000105900434 1040910378 /nfs/dbraw/zinc/91/03/78/1040910378.db2.gz XMSUAMLXHNZEOL-KBPBESRZSA-N 0 0 343.456 3.701 10 0 EHAERN O=C(Nc1cccc2c1CCO2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000333033197 1041076495 /nfs/dbraw/zinc/07/64/95/1041076495.db2.gz MVNZPTNNVMNAAB-MNOVXSKESA-N 0 0 328.334 3.864 10 0 EHAERN Cc1cc(C(=O)N2CCc3cncnc3C2)c(C)n1C1CCCCC1 ZINC000408144148 1041790146 /nfs/dbraw/zinc/79/01/46/1041790146.db2.gz HDGMQLDOKPJIHG-UHFFFAOYSA-N 0 0 338.455 3.599 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000408175305 1042119139 /nfs/dbraw/zinc/11/91/39/1042119139.db2.gz RWMNIJOKJOVHBH-KHIZAZIESA-N 0 0 333.407 3.827 10 0 EHAERN Cc1cc2cccnc2c(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000408209207 1042575296 /nfs/dbraw/zinc/57/52/96/1042575296.db2.gz ZCMJMGWQIXRWME-NVXWUHKLSA-N 0 0 341.455 3.804 10 0 EHAERN CCOc1ccc(NC(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1 ZINC000161640335 1042674859 /nfs/dbraw/zinc/67/48/59/1042674859.db2.gz PHSLFRNIRWMXOQ-UHFFFAOYSA-N 0 0 337.383 3.525 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2ccc(Cl)cc2C)c2ccccc2)[nH]1 ZINC000162054283 1042704428 /nfs/dbraw/zinc/70/44/28/1042704428.db2.gz YKZUOYGEZQDGAR-MRXNPFEDSA-N 0 0 340.814 3.594 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@H](C)C1 ZINC000121395075 1042765993 /nfs/dbraw/zinc/76/59/93/1042765993.db2.gz GEQLODVBALQFCU-LSDHHAIUSA-N 0 0 326.444 3.987 10 0 EHAERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H]2[C@@H](C)C2(F)F)no1 ZINC000408232631 1042806043 /nfs/dbraw/zinc/80/60/43/1042806043.db2.gz VDNRWCAEIFBPIJ-GRYCIOLGSA-N 0 0 327.375 3.538 10 0 EHAERN CO[C@@]1(C)C[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C1(C)C ZINC000408251386 1042861810 /nfs/dbraw/zinc/86/18/10/1042861810.db2.gz AJYOGPLOJWAOCJ-KQFUTBAXSA-N 0 0 336.398 3.610 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC[C@@](C)(O)CC1 ZINC000408287197 1042971520 /nfs/dbraw/zinc/97/15/20/1042971520.db2.gz PIPIXKHKJQDHLT-YLJYHZDGSA-N 0 0 330.472 3.647 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(C)(C)C1 ZINC000279138784 1043433708 /nfs/dbraw/zinc/43/37/08/1043433708.db2.gz ZAXWGUQAGRBAOY-TZMCWYRMSA-N 0 0 329.444 3.529 10 0 EHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)CC(C)(C)C1 ZINC000408373775 1044320595 /nfs/dbraw/zinc/32/05/95/1044320595.db2.gz MOHOVYXGRIATOT-DZGCQCFKSA-N 0 0 343.471 3.919 10 0 EHAERN Cc1nnc([C@@H]2COCCN2C(=O)CC2CCC(C(C)(C)C)CC2)o1 ZINC000408385566 1044490005 /nfs/dbraw/zinc/49/00/05/1044490005.db2.gz LCOAODZALRSABB-GPANFISMSA-N 0 0 349.475 3.521 10 0 EHAERN C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(C)(C)C ZINC000112307780 1044598923 /nfs/dbraw/zinc/59/89/23/1044598923.db2.gz SVPSWKRHGFDJBO-TVQRCGJNSA-N 0 0 340.876 3.694 10 0 EHAERN CC(C)[C@H](CC(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000104911143 1127903234 /nfs/dbraw/zinc/90/32/34/1127903234.db2.gz OVWOYZOZJRKRFM-PMACEKPBSA-N 0 0 325.452 3.536 10 0 EHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)o1 ZINC000269026580 1128735696 /nfs/dbraw/zinc/73/56/96/1128735696.db2.gz KNGSZQSTRMKCFR-CABCVRRESA-N 0 0 328.416 3.625 10 0 EHAERN CCOC1CC(CCNC(=O)N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000191328301 1132461581 /nfs/dbraw/zinc/46/15/81/1132461581.db2.gz QDXCSQSILCXOAD-AUCFXJAVSA-N 0 0 334.435 3.708 10 0 EHAERN Cn1c(SCC(=O)OC[C@@H]2CC=CCC2)nnc1-c1cccs1 ZINC000102600633 1135602219 /nfs/dbraw/zinc/60/22/19/1135602219.db2.gz GFCUMGPDZJEDSP-GFCCVEGCSA-N 0 0 349.481 3.535 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)nc1 ZINC000104233431 1135773063 /nfs/dbraw/zinc/77/30/63/1135773063.db2.gz FFTAAGDYHSEYDQ-BXKDBHETSA-N 0 0 347.777 3.721 10 0 EHAERN O=C(OCCc1cccnc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000105555461 1135953552 /nfs/dbraw/zinc/95/35/52/1135953552.db2.gz QCWDPUDSDNWWMQ-UHFFFAOYSA-N 0 0 341.338 3.792 10 0 EHAERN CCOCCOCC(=O)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000105766955 1135976025 /nfs/dbraw/zinc/97/60/25/1135976025.db2.gz RZSMEXZMJDSOIS-IBGZPJMESA-N 0 0 332.371 3.511 10 0 EHAERN COc1ccc(C(=O)CCCC(=O)O[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000103669316 1137469499 /nfs/dbraw/zinc/46/94/99/1137469499.db2.gz GRQVIVPDNAUVBD-SJORKVTESA-N 0 0 334.412 3.549 10 0 EHAERN O=C(N[C@H]1CCCC12CCOCC2)N[C@H]1CCCc2ccccc21 ZINC000282832052 1137867592 /nfs/dbraw/zinc/86/75/92/1137867592.db2.gz MNVOWMDEMHYTMW-ROUUACIJSA-N 0 0 328.456 3.713 10 0 EHAERN CSc1ccccc1[C@@H](C)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000282838114 1137871724 /nfs/dbraw/zinc/87/17/24/1137871724.db2.gz MXZOGIVKAFSQTG-VCBZYWHSSA-N 0 0 348.512 3.806 10 0 EHAERN Cn1ccnc1SCc1cccc(C(=O)N2CCCC2(C)C)c1 ZINC000102918478 1137874461 /nfs/dbraw/zinc/87/44/61/1137874461.db2.gz FBCCFKSZHWNHMC-UHFFFAOYSA-N 0 0 329.469 3.727 10 0 EHAERN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCCC2(C)C)c1 ZINC000103085821 1137875099 /nfs/dbraw/zinc/87/50/99/1137875099.db2.gz NRIIWAPFQLSCNN-UHFFFAOYSA-N 0 0 330.472 3.963 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCc1c(F)cccc1F ZINC000105162631 1137880388 /nfs/dbraw/zinc/88/03/88/1137880388.db2.gz LMUYNKKETGFADT-UHFFFAOYSA-N 0 0 347.409 3.567 10 0 EHAERN CC(C)c1noc(-c2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000333100727 1137955336 /nfs/dbraw/zinc/95/53/36/1137955336.db2.gz FQYGVEYDQALIFE-ZFWWWQNUSA-N 0 0 326.400 3.876 10 0 EHAERN CC(C)(C)[C@H]1CCC[C@H](NC(=O)N2CCc3cncnc3C2)CC1 ZINC000333313785 1138276181 /nfs/dbraw/zinc/27/61/81/1138276181.db2.gz JRLLNUXMPJAXSD-HOTGVXAUSA-N 0 0 330.476 3.539 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000333612834 1138311429 /nfs/dbraw/zinc/31/14/29/1138311429.db2.gz YHXWBHQYLCTBEZ-FUHWJXTLSA-N 0 0 342.483 3.789 10 0 EHAERN COCc1ccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000186172139 1140190266 /nfs/dbraw/zinc/19/02/66/1140190266.db2.gz OSRJTDDERBQASV-KRWDZBQOSA-N 0 0 345.468 3.645 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCCO3)cs1 ZINC000187129844 1140240703 /nfs/dbraw/zinc/24/07/03/1140240703.db2.gz DBYXOKVDDJLCEK-HNNXBMFYSA-N 0 0 344.436 3.590 10 0 EHAERN CCc1cccc(NC(=O)CN2CCC[C@H]2c2csc(C)n2)c1 ZINC000189801400 1140363994 /nfs/dbraw/zinc/36/39/94/1140363994.db2.gz TYFURCFYKRWEII-KRWDZBQOSA-N 0 0 329.469 3.790 10 0 EHAERN Cc1nc([C@@H]2CCCN2Cc2cc(=O)oc3cc(O)ccc23)cs1 ZINC000189820452 1140366804 /nfs/dbraw/zinc/36/68/04/1140366804.db2.gz AJKFUDXTBTVTQG-INIZCTEOSA-N 0 0 342.420 3.601 10 0 EHAERN Cc1ccc(F)c(C(=O)c2ccc(I)cc2)c1 ZINC000052981339 214158497 /nfs/dbraw/zinc/15/84/97/214158497.db2.gz LKRIEUQXDJZKME-UHFFFAOYSA-N 0 0 340.135 3.970 10 0 EHAERN O=C(NC1(CO)CCCCC1)c1cc(Br)ccc1Cl ZINC000053074747 214162190 /nfs/dbraw/zinc/16/21/90/214162190.db2.gz AKTCTTMIGCVHGD-UHFFFAOYSA-N 0 0 346.652 3.528 10 0 EHAERN COc1ccc([C@H](O)Cc2ccc(F)cc2Br)cc1 ZINC000053780891 214197500 /nfs/dbraw/zinc/19/75/00/214197500.db2.gz DXGKENWZXNNFAU-OAHLLOKOSA-N 0 0 325.177 3.873 10 0 EHAERN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)C1CC1 ZINC000056664164 214383238 /nfs/dbraw/zinc/38/32/38/214383238.db2.gz VXGLVJGCJVMOHS-JYRVWZFOSA-N 0 0 349.433 3.730 10 0 EHAERN CC(C)Oc1nc(Cl)nc(Oc2cccc(Br)c2)n1 ZINC000061521249 214664708 /nfs/dbraw/zinc/66/47/08/214664708.db2.gz UTXHLRNOYWREMQ-UHFFFAOYSA-N 0 0 344.596 3.867 10 0 EHAERN CCOC(=O)c1cnn2c1nc(-c1ccc(Cl)cc1)cc2Cl ZINC000098179827 219086290 /nfs/dbraw/zinc/08/62/90/219086290.db2.gz LOYRBZSGKNJUTF-UHFFFAOYSA-N 0 0 336.178 3.880 10 0 EHAERN O=c1cc(-c2ccc(N3CCCC3)cc2)oc2c3nc[nH]c3ccc12 ZINC000100105735 219091922 /nfs/dbraw/zinc/09/19/22/219091922.db2.gz DKIYFGQAPKGKEY-UHFFFAOYSA-N 0 0 331.375 3.937 10 0 EHAERN O=C([O-])C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049453643 214008881 /nfs/dbraw/zinc/00/88/81/214008881.db2.gz YMQIOZQUZQDOPH-UHFFFAOYSA-N 0 0 348.446 3.986 10 0 EHAERN CC1(C)CCC(C)(C)c2cc(C3=NN[C@@](O)(C(F)(F)F)C3)ccc21 ZINC000004390821 210186414 /nfs/dbraw/zinc/18/64/14/210186414.db2.gz QRAXHYPNNPFOIZ-KRWDZBQOSA-N 0 0 340.389 3.984 10 0 EHAERN O=C(COc1cccc(Br)c1)c1cc(F)ccc1F ZINC000048102572 213888071 /nfs/dbraw/zinc/88/80/71/213888071.db2.gz HTHIIVRWGGRPNC-UHFFFAOYSA-N 0 0 327.124 3.989 10 0 EHAERN C[C@@H]1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)C1 ZINC000045340112 213725933 /nfs/dbraw/zinc/72/59/33/213725933.db2.gz PLTCCMAGILPQDB-GFCCVEGCSA-N 0 0 330.819 3.746 10 0 EHAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000102734977 219226287 /nfs/dbraw/zinc/22/62/87/219226287.db2.gz IQTMICPQJDUERU-NXEZZACHSA-N 0 0 329.705 3.814 10 0 EHAERN O=C(CN(CC(F)(F)F)C1CC1)c1ccccc1Br ZINC000042775988 213533347 /nfs/dbraw/zinc/53/33/47/213533347.db2.gz LDSYQVBRFQAZKU-UHFFFAOYSA-N 0 0 336.151 3.659 10 0 EHAERN COc1nc(Nc2cc(Br)ccc2Cl)ccc1N ZINC000103940304 219331005 /nfs/dbraw/zinc/33/10/05/219331005.db2.gz CXBRGUUBPJVVFI-UHFFFAOYSA-N 0 0 328.597 3.832 10 0 EHAERN CCOC(=O)c1cnc2c(Cl)ccc(Br)c2c1NC ZINC000103985021 219336240 /nfs/dbraw/zinc/33/62/40/219336240.db2.gz AANHEZBZBHVEEZ-UHFFFAOYSA-N 0 0 343.608 3.869 10 0 EHAERN COC(=O)[C@@]1(Nc2ccc(Br)cc2)CCC[C@@H](C)C1 ZINC000104175664 219355813 /nfs/dbraw/zinc/35/58/13/219355813.db2.gz ZFDCEBHJTTXKLO-IAQYHMDHSA-N 0 0 326.234 3.983 10 0 EHAERN Cc1ccc(N(C(=O)C(C)(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000040966450 213404839 /nfs/dbraw/zinc/40/48/39/213404839.db2.gz WQAQBQXTCFXYAV-UHFFFAOYSA-N 0 0 331.437 3.763 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)nc1 ZINC000040798852 213388217 /nfs/dbraw/zinc/38/82/17/213388217.db2.gz JXDZPCXJUOGXFY-UHFFFAOYSA-N 0 0 328.326 3.528 10 0 EHAERN COc1ccc(Oc2ncnc(Oc3ccc(OC)cc3)c2N)cc1 ZINC000040802230 213387748 /nfs/dbraw/zinc/38/77/48/213387748.db2.gz VUKGQADEORDSNI-UHFFFAOYSA-N 0 0 339.351 3.661 10 0 EHAERN COc1ccc(OC)c(Nc2ncnc(Oc3ccccc3)c2N)c1 ZINC000040754268 213382035 /nfs/dbraw/zinc/38/20/35/213382035.db2.gz HVBISQHDOHYISX-UHFFFAOYSA-N 0 0 338.367 3.612 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3ccccc3C(F)(F)F)c2N)n1 ZINC000040701903 213371569 /nfs/dbraw/zinc/37/15/69/213371569.db2.gz HCLRZHLQFDGSKG-UHFFFAOYSA-N 0 0 348.332 3.624 10 0 EHAERN COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000001904633 209803873 /nfs/dbraw/zinc/80/38/73/209803873.db2.gz WRBTWORNIQITEG-AWNIVKPZSA-N 0 0 339.391 3.912 10 0 EHAERN CCOC(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12 ZINC000040439699 213303696 /nfs/dbraw/zinc/30/36/96/213303696.db2.gz NMSVSTHMOMVSBS-UHFFFAOYSA-N 0 0 330.409 3.567 10 0 EHAERN CCOc1ccccc1OCCn1c(COC)nc2ccccc21 ZINC000040232008 213283407 /nfs/dbraw/zinc/28/34/07/213283407.db2.gz ZHSUKWWGEZANRN-UHFFFAOYSA-N 0 0 326.396 3.660 10 0 EHAERN Nc1ccc(Cl)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000038033868 213193800 /nfs/dbraw/zinc/19/38/00/213193800.db2.gz CQZUVHDUIXKLEL-UHFFFAOYSA-N 0 0 332.759 3.662 10 0 EHAERN O=C(NCc1ccc(Br)s1)c1c[nH]c2ccccc12 ZINC000038018891 213191976 /nfs/dbraw/zinc/19/19/76/213191976.db2.gz DPYNGTHGXOZDPN-UHFFFAOYSA-N 0 0 335.226 3.922 10 0 EHAERN Cc1cc(C)cc(CN2c3cc(Br)ccc3C(=O)C2=O)c1 ZINC000037979953 213181184 /nfs/dbraw/zinc/18/11/84/213181184.db2.gz SNDBYQYUBPJSHD-UHFFFAOYSA-N 0 0 344.208 3.795 10 0 EHAERN CCOC(=O)[C@@](C)(NCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000037973676 213177086 /nfs/dbraw/zinc/17/70/86/213177086.db2.gz KTNVFZSSHCQIOT-LBPRGKRZSA-N 0 0 344.160 3.924 10 0 EHAERN NC(=O)[C@H](Nc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000037944465 213175393 /nfs/dbraw/zinc/17/53/93/213175393.db2.gz XLGLMSFYPIBVGU-CYBMUJFWSA-N 0 0 339.620 3.741 10 0 EHAERN C[C@H](N[C@@H](C)c1sccc1Br)C(=O)N1CCCCC1 ZINC000037784456 213167236 /nfs/dbraw/zinc/16/72/36/213167236.db2.gz MURKOHDHNZCQBI-QWRGUYRKSA-N 0 0 345.306 3.562 10 0 EHAERN Nc1cccnc1SCCOc1ccc(Br)cc1 ZINC000037190775 213135502 /nfs/dbraw/zinc/13/55/02/213135502.db2.gz AWBXXNVFQPBBBD-UHFFFAOYSA-N 0 0 325.231 3.597 10 0 EHAERN Cc1cc(N)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000036961588 213127180 /nfs/dbraw/zinc/12/71/80/213127180.db2.gz RSOIAXIICXJCII-UHFFFAOYSA-N 0 0 331.224 3.685 10 0 EHAERN CCCn1cc(Br)cc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000036859863 213123799 /nfs/dbraw/zinc/12/37/99/213123799.db2.gz GWYLBEVDONCJEN-WCQYABFASA-N 0 0 327.266 3.969 10 0 EHAERN Cc1ccc(N)c(NC(=O)c2ccc(Br)s2)c1C ZINC000036736892 213114545 /nfs/dbraw/zinc/11/45/45/213114545.db2.gz RINUGUVAPJBEGK-UHFFFAOYSA-N 0 0 325.231 3.962 10 0 EHAERN O=C(Cc1ccccc1)N1CCC[C@@H](OCc2cc(F)cc(F)c2)C1 ZINC000036315363 213084117 /nfs/dbraw/zinc/08/41/17/213084117.db2.gz XBNIKZGFUJISGD-LJQANCHMSA-N 0 0 345.389 3.715 10 0 EHAERN COc1cccc(N(Cc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000036247234 213078536 /nfs/dbraw/zinc/07/85/36/213078536.db2.gz AQRGOOBJEXRNQB-UHFFFAOYSA-N 0 0 333.453 3.785 10 0 EHAERN Nc1ccc(F)cc1COc1ccccc1I ZINC000035453994 213029137 /nfs/dbraw/zinc/02/91/37/213029137.db2.gz GCCNYTHLWDRJEW-UHFFFAOYSA-N 0 0 343.139 3.592 10 0 EHAERN CCc1ccccc1NC(=O)c1cn(CC)c2ccc(F)cc2c1=O ZINC000032607358 212815945 /nfs/dbraw/zinc/81/59/45/212815945.db2.gz GJOGYLJHHZUXCY-UHFFFAOYSA-N 0 0 338.382 3.975 10 0 EHAERN COc1ccc(Br)cc1[C@@H](N)C(F)(F)C(F)(F)F ZINC000037034639 213131625 /nfs/dbraw/zinc/13/16/25/213131625.db2.gz OTGYAXZWHOGQMT-MRVPVSSYSA-N 0 0 334.082 3.655 10 0 EHAERN O=C1[C@@H]2CCCN2[C@H](c2cccnc2)N1c1ccc(Cl)c(Cl)c1 ZINC000000244619 209502372 /nfs/dbraw/zinc/50/23/72/209502372.db2.gz YIFVYSKLNUMDFP-HOTGVXAUSA-N 0 0 348.233 3.898 10 0 EHAERN C[C@@H](NCc1ccc(I)o1)c1ccccc1F ZINC000037764336 213165617 /nfs/dbraw/zinc/16/56/17/213165617.db2.gz BPNCGEZYDMHHKK-SECBINFHSA-N 0 0 345.155 3.874 10 0 EHAERN CCn1cc(N[C@@H](C)c2sccc2Br)ccc1=O ZINC000037774056 213165645 /nfs/dbraw/zinc/16/56/45/213165645.db2.gz ZTYUZJMTEYHMKB-VIFPVBQESA-N 0 0 327.247 3.865 10 0 EHAERN Cc1ccc(-c2ccnc3nc(NCc4ccccc4)[nH]c(=O)c23)cc1 ZINC000072440359 216233739 /nfs/dbraw/zinc/23/37/39/216233739.db2.gz MAQPOOVGODKOHZ-UHFFFAOYSA-N 0 0 342.402 3.906 10 0 EHAERN C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@@H]1CCCO1 ZINC000027866991 212581885 /nfs/dbraw/zinc/58/18/85/212581885.db2.gz OTSNBPNXAUALQG-DOMZBBRYSA-N 0 0 337.510 3.853 10 0 EHAERN Cc1cc(C)cc(NC(=O)c2cnc(N3CCC(C)CC3)nc2C)c1 ZINC000072465043 216246570 /nfs/dbraw/zinc/24/65/70/216246570.db2.gz KVULBTCRMLUNII-UHFFFAOYSA-N 0 0 338.455 3.890 10 0 EHAERN Cc1cccc(C)c1OCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025513130 212485740 /nfs/dbraw/zinc/48/57/40/212485740.db2.gz OXYLQTLHMFXYPP-KGLIPLIRSA-N 0 0 329.362 3.920 10 0 EHAERN COc1ccc2c(c1)C[C@@H](CNC(=O)c1cc3ccccc3s1)O2 ZINC000022656866 212314182 /nfs/dbraw/zinc/31/41/82/212314182.db2.gz AGSYPAXQYBXDDJ-HNNXBMFYSA-N 0 0 339.416 3.643 10 0 EHAERN C[Si](C)(C)CCOCn1nc(C(F)(F)F)c2ccc(N)cc21 ZINC000200824209 241039305 /nfs/dbraw/zinc/03/93/05/241039305.db2.gz XWBSAYAXVUQHEY-UHFFFAOYSA-N 0 0 331.414 3.950 10 0 EHAERN Cc1ccc(OCc2ccc(C(N)=O)cc2F)c(Br)c1 ZINC000020077690 212099604 /nfs/dbraw/zinc/09/96/04/212099604.db2.gz ZHOBDXHSPYFEOX-UHFFFAOYSA-N 0 0 338.176 3.575 10 0 EHAERN COc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1 ZINC000020056156 212098463 /nfs/dbraw/zinc/09/84/63/212098463.db2.gz JBPYNQBWZLBOIY-UHFFFAOYSA-N 0 0 335.201 3.508 10 0 EHAERN O=C(CNc1ccc2c(c1)CCC2)Nc1ccc(Br)cc1 ZINC000020048666 212098005 /nfs/dbraw/zinc/09/80/05/212098005.db2.gz HKOSEGZCSFCLLG-UHFFFAOYSA-N 0 0 345.240 3.988 10 0 EHAERN Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000019478126 212030647 /nfs/dbraw/zinc/03/06/47/212030647.db2.gz SHLFSGHTIMWRQQ-LLVKDONJSA-N 0 0 349.228 3.746 10 0 EHAERN Nc1cc(Cl)cc(Br)c1OCCOCC(F)(F)F ZINC000049310477 214000711 /nfs/dbraw/zinc/00/07/11/214000711.db2.gz QIBTXFMATBSFBS-UHFFFAOYSA-N 0 0 348.546 3.642 10 0 EHAERN COc1ccc(OCc2ccc(F)cc2Br)c(N)c1 ZINC000019389724 212024591 /nfs/dbraw/zinc/02/45/91/212024591.db2.gz DHKFEDSAQIWBNJ-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN COc1cccc(NC(=O)c2sc(-n3nc(C)cc3C)nc2C)c1 ZINC000014608778 211747137 /nfs/dbraw/zinc/74/71/37/211747137.db2.gz SVNMJQMCTMVJDR-UHFFFAOYSA-N 0 0 342.424 3.515 10 0 EHAERN NS(=O)(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000013520249 211571483 /nfs/dbraw/zinc/57/14/83/211571483.db2.gz ZAGGHEFVRDOWDY-UHFFFAOYSA-N 0 0 345.418 3.536 10 0 EHAERN O=C(/C=C/c1ccco1)N1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000012112046 211290504 /nfs/dbraw/zinc/29/05/04/211290504.db2.gz MMIHOLXSBQPWLF-LCCNJJIFSA-N 0 0 339.435 3.527 10 0 EHAERN O=c1[nH]c(Nc2ccc(OCc3ccccc3)cc2)nc2c1CCC2 ZINC000011991343 211275838 /nfs/dbraw/zinc/27/58/38/211275838.db2.gz PFCAUGDCQXAVPZ-UHFFFAOYSA-N 0 0 333.391 3.581 10 0 EHAERN CN(C)c1cccc(NC(=O)c2ccc(Br)s2)c1 ZINC000095081713 218274783 /nfs/dbraw/zinc/27/47/83/218274783.db2.gz NMECBMRYHSNVCC-UHFFFAOYSA-N 0 0 325.231 3.829 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2ccc(Cl)nn2)C1 ZINC000095085118 218276411 /nfs/dbraw/zinc/27/64/11/218276411.db2.gz GSQALGSBVBSGRG-GFCCVEGCSA-N 0 0 341.839 3.546 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1cc(Cl)ncn1 ZINC000095086352 218277582 /nfs/dbraw/zinc/27/75/82/218277582.db2.gz BEFTXOPMBUFHHG-GFCCVEGCSA-N 0 0 341.839 3.689 10 0 EHAERN C[C@H](OC(=O)c1cnc(Cl)cn1)c1ccc(Br)cc1 ZINC000006487608 210639247 /nfs/dbraw/zinc/63/92/47/210639247.db2.gz XZTOJSZITMEHDB-QMMMGPOBSA-N 0 0 341.592 3.811 10 0 EHAERN C[C@H]1CCCC[C@@H]1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000004928481 210325310 /nfs/dbraw/zinc/32/53/10/210325310.db2.gz NHYJCNIOYCGGBF-FZMZJTMJSA-N 0 0 333.819 3.622 10 0 EHAERN O=C(c1ccco1)N1CC[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@H]2C1 ZINC000247803967 257679378 /nfs/dbraw/zinc/67/93/78/257679378.db2.gz HPDBVYHBBJTMQX-WQVCFCJDSA-N 0 0 344.436 3.606 10 0 EHAERN COc1ccc(Br)c(Nc2nc[nH]c3cccc(=O)c2-3)c1 ZINC000165374721 533262741 /nfs/dbraw/zinc/26/27/41/533262741.db2.gz NETCLNICAQEJOJ-UHFFFAOYSA-N 0 0 346.184 3.850 10 0 EHAERN O=C(Nc1ccccc1NC(=O)N1CCCC1)[C@H]1C[C@@H]1c1ccco1 ZINC000123731454 222324960 /nfs/dbraw/zinc/32/49/60/222324960.db2.gz SFFAJZDHOMFEMB-KBPBESRZSA-N 0 0 339.395 3.650 10 0 EHAERN COC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc21 ZINC000026460443 521821665 /nfs/dbraw/zinc/82/16/65/521821665.db2.gz URWPVJFYMKDIEK-UHFFFAOYSA-N 0 0 334.091 3.803 10 0 EHAERN C[C@H](CC(=O)Nc1ccccc1OC1CCCC1)N1CCCCC1=O ZINC000188672713 526249218 /nfs/dbraw/zinc/24/92/18/526249218.db2.gz OSYXYNZHVRTMTI-OAHLLOKOSA-N 0 0 344.455 3.738 10 0 EHAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1nc(C(C)(C)C)cs1)C(C)C ZINC000130014822 527666649 /nfs/dbraw/zinc/66/66/49/527666649.db2.gz NHDYSAYDCJSFHK-CQSZACIVSA-N 0 0 339.505 3.566 10 0 EHAERN CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O[C@@H](C)CC)cc1 ZINC000005686602 564032949 /nfs/dbraw/zinc/03/29/49/564032949.db2.gz PZMKNRGLZYFPOT-WBAXXEDZSA-N 0 0 345.439 3.948 10 0 EHAERN Cc1cc(C)n(-c2nnc(Nc3ccc(O)cc3)c3ccccc32)n1 ZINC000015777658 564074064 /nfs/dbraw/zinc/07/40/64/564074064.db2.gz QHSDILKUVBEOAB-UHFFFAOYSA-N 0 0 331.379 3.882 10 0 EHAERN CC(C)c1[nH]nc(I)c1-c1ccccc1F ZINC000675077172 564113434 /nfs/dbraw/zinc/11/34/34/564113434.db2.gz ZLMVCLQWZBARRX-UHFFFAOYSA-N 0 0 330.144 3.944 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1ccc(Cl)cn1)CCCC2 ZINC000328639830 564137148 /nfs/dbraw/zinc/13/71/48/564137148.db2.gz PQZJQYBGVBGVSQ-KRWDZBQOSA-N 0 0 330.863 3.684 10 0 EHAERN O=C(c1ccccc1F)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000278353194 564138334 /nfs/dbraw/zinc/13/83/34/564138334.db2.gz GQLGLKVTJCVPSJ-SNVBAGLBSA-N 0 0 341.308 3.587 10 0 EHAERN COCC[C@@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960560 564177132 /nfs/dbraw/zinc/17/71/32/564177132.db2.gz RMNORVQXGDYSRR-OAHLLOKOSA-N 0 0 335.444 3.665 10 0 EHAERN CC(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685962203 564177251 /nfs/dbraw/zinc/17/72/51/564177251.db2.gz XYUOZSRDGPXCCM-ZBFHGGJFSA-N 0 0 335.444 3.710 10 0 EHAERN CN(CCC(=O)CCCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000405521640 564177604 /nfs/dbraw/zinc/17/76/04/564177604.db2.gz XDSWAQXGKUTCAG-UHFFFAOYSA-N 0 0 335.444 3.810 10 0 EHAERN c1ccc2c(c1)cccc2-c1nc([C@@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000329740474 1032058329 /nfs/dbraw/zinc/05/83/29/1032058329.db2.gz VKIFRBXUFVPGOL-QAPCUYQASA-N 0 0 335.407 3.816 10 0 EHAERN O=C([O-])C[N@H+](Cc1ccccc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000692456267 976489997 /nfs/dbraw/zinc/48/99/97/976489997.db2.gz SYYHFSVDINTRIB-UHFFFAOYSA-N 0 0 339.313 3.672 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCCC23CC3)c(Br)c1 ZINC000706232105 977311167 /nfs/dbraw/zinc/31/11/67/977311167.db2.gz DBRDDRJTUOLGPE-ZDUSSCGKSA-N 0 0 338.245 3.817 10 0 EHAERN C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000706446686 977323044 /nfs/dbraw/zinc/32/30/44/977323044.db2.gz FTSCMSCKYIGWQD-CQSZACIVSA-N 0 0 346.652 3.789 10 0 EHAERN C[C@H]1C[N@H+](Cc2ccc(Cl)c(Br)c2)C[C@]1(C)C(=O)[O-] ZINC000710310918 977502669 /nfs/dbraw/zinc/50/26/69/977502669.db2.gz XUQCLZPLUNNNDK-XPTSAGLGSA-N 0 0 346.652 3.645 10 0 EHAERN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Br)C[C@H]1CC(=O)[O-] ZINC000722685749 978162996 /nfs/dbraw/zinc/16/29/96/978162996.db2.gz QACMDLRHKLEGFI-MWLCHTKSSA-N 0 0 346.652 3.645 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000245953367 1015540165 /nfs/dbraw/zinc/54/01/65/1015540165.db2.gz LMNSLZQBBAKQKY-MGPQQGTHSA-N 0 0 344.381 3.767 10 0 EHAERN c1nc([C@@H]2CCCCN2Cc2csc(Cc3ccccc3)n2)n[nH]1 ZINC000182705145 1032124190 /nfs/dbraw/zinc/12/41/90/1032124190.db2.gz SQNUATUBEPGILN-INIZCTEOSA-N 0 0 339.468 3.579 10 0 EHAERN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)C(C)C ZINC000117708033 1015701766 /nfs/dbraw/zinc/70/17/66/1015701766.db2.gz CQXXUKJUFPBQDX-WBVHZDCISA-N 0 0 346.471 3.615 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@H](C)C[C@H](C)C1)c1nnc2n1CCCCC2 ZINC000407969652 1016574200 /nfs/dbraw/zinc/57/42/00/1016574200.db2.gz JJVBNOWFLZQXPA-JYJNAYRXSA-N 0 0 347.507 3.533 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NCC1(C)CCCCCC1 ZINC000179653480 1016881777 /nfs/dbraw/zinc/88/17/77/1016881777.db2.gz QQMSNLRJWZLFCZ-OAHLLOKOSA-N 0 0 347.507 3.896 10 0 EHAERN CC(C)c1cnc(CN2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000182963066 1032151654 /nfs/dbraw/zinc/15/16/54/1032151654.db2.gz QMTAOVIJWJCVKS-UHFFFAOYSA-N 0 0 349.544 3.881 10 0 EHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)CC1(CO)CC1 ZINC000588549948 1016922243 /nfs/dbraw/zinc/92/22/43/1016922243.db2.gz HFWKHKLTVUKZDW-FLIBITNWSA-N 0 0 328.239 3.628 10 0 EHAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000182998209 1032154825 /nfs/dbraw/zinc/15/48/25/1032154825.db2.gz BHSLIQJGOLPUQG-ZTFGCOKTSA-N 0 0 337.423 3.698 10 0 EHAERN Cc1cc(C)c(NC(=O)N2CCN(c3cccs3)C(=O)C2)c(C)c1 ZINC000184913591 1032343935 /nfs/dbraw/zinc/34/39/35/1032343935.db2.gz FDTUWYHDQIAQGO-UHFFFAOYSA-N 0 0 343.452 3.554 10 0 EHAERN CCC(CC)n1ncc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c1C ZINC000185350264 1032383815 /nfs/dbraw/zinc/38/38/15/1032383815.db2.gz SHPDYRXWUFWEGM-KRWDZBQOSA-N 0 0 343.427 3.621 10 0 EHAERN CC(C)c1[nH]ccc1C(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000286612333 1017294074 /nfs/dbraw/zinc/29/40/74/1017294074.db2.gz XZOUGLHRIUVKPC-QGZVFWFLSA-N 0 0 340.471 3.728 10 0 EHAERN Cc1nnc([C@H](NCc2cccc3c2OC(C)(C)C3)c2ccccc2)[nH]1 ZINC000119013702 1032540015 /nfs/dbraw/zinc/54/00/15/1032540015.db2.gz HUQDKQGBKDJMFJ-GOSISDBHSA-N 0 0 348.450 3.706 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)c1 ZINC000081642500 1032616163 /nfs/dbraw/zinc/61/61/63/1032616163.db2.gz SKYHKKVDSCCGKI-GFCCVEGCSA-N 0 0 347.361 3.612 10 0 EHAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CCCC[C@H]1c1cn[nH]c1 ZINC000122685378 1017147628 /nfs/dbraw/zinc/14/76/28/1017147628.db2.gz PNBGDPXLVTYMJO-KRWDZBQOSA-N 0 0 342.830 3.841 10 0 EHAERN O=C(N[C@@H]1COc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000176285412 1017343381 /nfs/dbraw/zinc/34/33/81/1017343381.db2.gz NWIBEMUJQYTQSY-ZIAGYGMSSA-N 0 0 329.425 3.513 10 0 EHAERN Cc1cc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)n(-c2ccccn2)n1 ZINC000246396060 1018231531 /nfs/dbraw/zinc/23/15/31/1018231531.db2.gz CWKCYMLRDYLGHV-BZUAXINKSA-N 0 0 339.443 3.761 10 0 EHAERN Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)o2)cc1 ZINC000305140528 1018977155 /nfs/dbraw/zinc/97/71/55/1018977155.db2.gz MEWHRUMCONUDGW-RIFZZMRRSA-N 0 0 341.455 3.733 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@H](C)[C@@H]2CCCO2)cs1 ZINC000333470724 1019666620 /nfs/dbraw/zinc/66/66/20/1019666620.db2.gz QWQVCMHECYVQBN-BZNIZROVSA-N 0 0 331.441 3.808 10 0 EHAERN O=C(NCc1cc(C2CC2)ccc1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333518074 1019827875 /nfs/dbraw/zinc/82/78/75/1019827875.db2.gz NIQKGSSYTPKQHH-FXAWDEMLSA-N 0 0 346.446 3.540 10 0 EHAERN C[C@@]12CN(C(=O)CCc3nnc(C4CCCC4)o3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333525453 1019860693 /nfs/dbraw/zinc/86/06/93/1019860693.db2.gz OVOGSDCXNAKTTK-ASKKUZCQSA-N 0 0 343.471 3.554 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000246452840 1020941098 /nfs/dbraw/zinc/94/10/98/1020941098.db2.gz CXTBEXHACSLUMF-LESCRADOSA-N 0 0 330.472 3.550 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)N(CCO)Cc1ccc(C)cc1 ZINC000588424489 1021471054 /nfs/dbraw/zinc/47/10/54/1021471054.db2.gz NZELPEZGCVQSNA-SSZFMOIBSA-N 0 0 327.399 3.559 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H]1COCc2ccccc21 ZINC000333928322 1021504745 /nfs/dbraw/zinc/50/47/45/1021504745.db2.gz XGBYJIIZHWHOJM-NFAWXSAZSA-N 0 0 342.361 3.678 10 0 EHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N[C@H](C)C[S@@](C)=O ZINC000588430424 1021883259 /nfs/dbraw/zinc/88/32/59/1021883259.db2.gz NPZWOYAXXKCOFO-AKWYXXGLSA-N 0 0 347.480 3.672 10 0 EHAERN O=C(c1ccc(Cl)cc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000126292682 1022195499 /nfs/dbraw/zinc/19/54/99/1022195499.db2.gz RTQGQZSWWIBQEN-ZBEGNZNMSA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1ccc(Cl)cc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000126292494 1022195556 /nfs/dbraw/zinc/19/55/56/1022195556.db2.gz RTQGQZSWWIBQEN-MEDUHNTESA-N 0 0 328.239 3.761 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H]1c1ccccc1Cl ZINC000187667004 1022220204 /nfs/dbraw/zinc/22/02/04/1022220204.db2.gz WGDUPJQGRRJBOX-QGZVFWFLSA-N 0 0 340.810 3.812 10 0 EHAERN CC(=O)Nc1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)ccc1F ZINC000333831147 1022229357 /nfs/dbraw/zinc/22/93/57/1022229357.db2.gz LPMPVLFBRPUTHO-CFLYGVGMSA-N 0 0 345.418 3.684 10 0 EHAERN Cc1[nH]c2ccc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2c1C ZINC000127617301 1022386353 /nfs/dbraw/zinc/38/63/53/1022386353.db2.gz BORXGUDXDOYCNU-OXQOHEQNSA-N 0 0 326.440 3.552 10 0 EHAERN Cc1cc(C)cc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000101737312 1022687563 /nfs/dbraw/zinc/68/75/63/1022687563.db2.gz DJENMKRJAMJZDK-INIZCTEOSA-N 0 0 345.487 3.708 10 0 EHAERN Cc1cc(F)ccc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101739608 1022689772 /nfs/dbraw/zinc/68/97/72/1022689772.db2.gz OSRPVUCXTKECPK-AWEZNQCLSA-N 0 0 349.450 3.539 10 0 EHAERN CC(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000101850848 1022743820 /nfs/dbraw/zinc/74/38/20/1022743820.db2.gz VSAFOXPDPGURML-PVAVHDDUSA-N 0 0 348.874 3.638 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CCO[C@@H](c3ccsc3)C2)c(C)o1 ZINC000121778108 1022796178 /nfs/dbraw/zinc/79/61/78/1022796178.db2.gz SUSHVBXUGDTUJQ-BLLLJJGKSA-N 0 0 334.441 3.802 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCCSCc1ccccc1F ZINC000588451651 1023008909 /nfs/dbraw/zinc/00/89/09/1023008909.db2.gz MKCXHXADXLMDPD-HJWRWDBZSA-N 0 0 330.428 3.592 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000588455116 1023067629 /nfs/dbraw/zinc/06/76/29/1023067629.db2.gz DNQJAPCINXRUPS-PLNGDYQASA-N 0 0 328.315 3.622 10 0 EHAERN CCCCCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164413639 1023229351 /nfs/dbraw/zinc/22/93/51/1023229351.db2.gz TZXWUERBRSYLSI-DOTOQJQBSA-N 0 0 334.504 3.595 10 0 EHAERN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000081179442 1023296082 /nfs/dbraw/zinc/29/60/82/1023296082.db2.gz VCVFHGUNKVYUQD-PBHICJAKSA-N 0 0 343.471 3.565 10 0 EHAERN C[C@H]1C[C@H](c2noc([C@H]3CCCN(C(=O)C4CC4)C3)n2)C[C@@H](C)C1 ZINC000329648267 1023978487 /nfs/dbraw/zinc/97/84/87/1023978487.db2.gz FBUQOQHGYUUQNC-LQKXBSAESA-N 0 0 331.460 3.725 10 0 EHAERN CN1C[C@H](c2noc(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1=O ZINC000329732145 1024163988 /nfs/dbraw/zinc/16/39/88/1024163988.db2.gz QBBYPCSECYHHDH-GFCCVEGCSA-N 0 0 345.830 3.529 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@@H](n3cccn3)C2)n1 ZINC000329819112 1024209126 /nfs/dbraw/zinc/20/91/26/1024209126.db2.gz XPMPWIRDBAWFFF-JKSUJKDBSA-N 0 0 337.427 3.640 10 0 EHAERN CC[C@H]1CCc2nc(NC(=O)N(C)[C@H](C)c3cnn(C)c3)sc2C1 ZINC000194491016 1024417465 /nfs/dbraw/zinc/41/74/65/1024417465.db2.gz KWBUGLFYTGZSHO-NEPJUHHUSA-N 0 0 347.488 3.616 10 0 EHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000280940673 1024456759 /nfs/dbraw/zinc/45/67/59/1024456759.db2.gz FPSMAJZJMDXIBK-AITUJVMLSA-N 0 0 346.446 3.538 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(-n4cccc4)c3)CCO2)o1 ZINC000151703541 1024458344 /nfs/dbraw/zinc/45/83/44/1024458344.db2.gz NAMFJSVELMTTJW-IBGZPJMESA-N 0 0 336.391 3.592 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NCc3ccccc3Cl)CCO2)o1 ZINC000165805235 1024475973 /nfs/dbraw/zinc/47/59/73/1024475973.db2.gz DEGBIBWTBPAQRW-INIZCTEOSA-N 0 0 334.803 3.525 10 0 EHAERN COc1cccc(C)c1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000195012456 1024480563 /nfs/dbraw/zinc/48/05/63/1024480563.db2.gz ZQXHKKLCLOFCGI-HUUCEWRRSA-N 0 0 328.416 3.506 10 0 EHAERN CCO[C@@H]1C[C@@H](OC(=O)/C=C(/C)c2ccccc2)C12CCOCC2 ZINC000588492646 1024912592 /nfs/dbraw/zinc/91/25/92/1024912592.db2.gz LDYHPILUUMJWDU-FNXPSMSCSA-N 0 0 330.424 3.607 10 0 EHAERN C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000588507314 1025393514 /nfs/dbraw/zinc/39/35/14/1025393514.db2.gz ZKNDKBDQXYTSOW-OWBHPGMISA-N 0 0 327.399 3.773 10 0 EHAERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000329342350 1025764660 /nfs/dbraw/zinc/76/46/60/1025764660.db2.gz PNXFDKJXULROFC-IRXDYDNUSA-N 0 0 326.440 3.518 10 0 EHAERN Cc1ccc(/C=C\CC(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000588513094 1025866287 /nfs/dbraw/zinc/86/62/87/1025866287.db2.gz HUSIIBOPJFXORF-IHWYPQMZSA-N 0 0 339.357 3.768 10 0 EHAERN CCCC[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000103316761 1026075656 /nfs/dbraw/zinc/07/56/56/1026075656.db2.gz UYELUFPRLFKGIT-ROUUACIJSA-N 0 0 334.460 3.747 10 0 EHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000103853997 1026118066 /nfs/dbraw/zinc/11/80/66/1026118066.db2.gz YMZHXRXOEFOYIN-AWEZNQCLSA-N 0 0 332.469 3.572 10 0 EHAERN Cc1c([C@@H](C)NC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cnn1C ZINC000047006291 1026206045 /nfs/dbraw/zinc/20/60/45/1026206045.db2.gz HDZRGMXFMIOVJB-SFAMEIPESA-N 0 0 344.503 3.647 10 0 EHAERN CC[C@@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccc2c(c1)CCO2 ZINC000167946881 1026618785 /nfs/dbraw/zinc/61/87/85/1026618785.db2.gz KOJUURAUHUDROI-IAGOWNOFSA-N 0 0 340.471 3.912 10 0 EHAERN Fc1cc2ncc(N3CCC[C@H](c4nccs4)C3)nc2cc1F ZINC000122729795 1026710253 /nfs/dbraw/zinc/71/02/53/1026710253.db2.gz KJLAZRURTIWQPQ-JTQLQIEISA-N 0 0 332.379 3.749 10 0 EHAERN O=C(/C=C/c1ccc(Cl)nc1)NC1CCN(c2cccs2)CC1 ZINC000125631813 1027100956 /nfs/dbraw/zinc/10/09/56/1027100956.db2.gz LPWVGYZPMORYFG-GQCTYLIASA-N 0 0 347.871 3.595 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 ZINC000248706455 1027143845 /nfs/dbraw/zinc/14/38/45/1027143845.db2.gz AVZJSASESORXOY-OPGCRTJHSA-N 0 0 328.456 3.882 10 0 EHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000128441882 1027435344 /nfs/dbraw/zinc/43/53/44/1027435344.db2.gz KXJOWMOHJVCWQX-GOEBONIOSA-N 0 0 330.815 3.529 10 0 EHAERN CCCC(CCC)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000128701255 1027469955 /nfs/dbraw/zinc/46/99/55/1027469955.db2.gz IWZOICNULCYFPI-UHFFFAOYSA-N 0 0 336.501 3.639 10 0 EHAERN Cc1nc(-c2cccc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2)no1 ZINC000128791440 1027478072 /nfs/dbraw/zinc/47/80/72/1027478072.db2.gz YOVFJQOUWRBFFV-ZDUSSCGKSA-N 0 0 326.183 3.567 10 0 EHAERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC=C(c2cccs2)CC1 ZINC000129685244 1027590515 /nfs/dbraw/zinc/59/05/15/1027590515.db2.gz PMMYZFNPKBILGP-CVEARBPZSA-N 0 0 332.469 3.504 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1csc(-c2ccco2)n1 ZINC000131794101 1027822982 /nfs/dbraw/zinc/82/29/82/1027822982.db2.gz XFQWBGNDQKPQQU-BDJLRTHQSA-N 0 0 340.404 3.584 10 0 EHAERN COc1ccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1OC ZINC000246181878 1027895876 /nfs/dbraw/zinc/89/58/76/1027895876.db2.gz JOAIHLFVZOJIFS-KFKAGJAMSA-N 0 0 338.407 3.554 10 0 EHAERN CC(C)Oc1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246193371 1027940563 /nfs/dbraw/zinc/94/05/63/1027940563.db2.gz UBGRITJZWTWJMJ-IAOVAPTHSA-N 0 0 330.428 3.553 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000132789632 1027964324 /nfs/dbraw/zinc/96/43/24/1027964324.db2.gz GVFZSQAEMBKHFB-ACJLOTCBSA-N 0 0 334.375 3.523 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3F)CCO2)o1 ZINC000133339649 1028019016 /nfs/dbraw/zinc/01/90/16/1028019016.db2.gz RXWPEEVSCDSZFZ-ACJLOTCBSA-N 0 0 331.387 3.506 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3SCCc4sccc43)CCO2)o1 ZINC000133347729 1028021823 /nfs/dbraw/zinc/02/18/23/1028021823.db2.gz PCYXPUXVKFBKQV-GOEBONIOSA-N 0 0 349.477 3.580 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3sc(C)nc3CC(C)C)CCO2)o1 ZINC000133829674 1028070518 /nfs/dbraw/zinc/07/05/18/1028070518.db2.gz XJPZCOPHUOBYJQ-INIZCTEOSA-N 0 0 348.468 3.765 10 0 EHAERN COc1ccccc1[C@H](NC(=O)N[C@@H](C)CC1CC1)c1ccccn1 ZINC000134234380 1028103860 /nfs/dbraw/zinc/10/38/60/1028103860.db2.gz IOACLWFKRFIGRR-LIRRHRJNSA-N 0 0 339.439 3.667 10 0 EHAERN CCCCC[C@H](C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)C(C)C ZINC000134365338 1028116895 /nfs/dbraw/zinc/11/68/95/1028116895.db2.gz SJLMZXWBNGPROT-SQNIBIBYSA-N 0 0 349.519 3.545 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1Cl ZINC000134597590 1028131798 /nfs/dbraw/zinc/13/17/98/1028131798.db2.gz JRXHSOHIRWYUJV-UKRRQHHQSA-N 0 0 345.830 3.659 10 0 EHAERN CSCCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134943786 1028158528 /nfs/dbraw/zinc/15/85/28/1028158528.db2.gz LZESJUPCBGXECQ-INIZCTEOSA-N 0 0 343.496 3.926 10 0 EHAERN CCCOc1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000137041819 1028284691 /nfs/dbraw/zinc/28/46/91/1028284691.db2.gz RWSPUBJCKGGJGA-SFHVURJKSA-N 0 0 341.411 3.556 10 0 EHAERN O=C(CCc1ccc(O)cc1)N1CC=C(c2ccccc2F)CC1 ZINC000137348427 1028309116 /nfs/dbraw/zinc/30/91/16/1028309116.db2.gz VMKCLMSBOSWERG-UHFFFAOYSA-N 0 0 325.383 3.780 10 0 EHAERN CCN(C(C)=O)c1nc(CN2CC=C(c3ccccc3)CC2)cs1 ZINC000066864304 1028343521 /nfs/dbraw/zinc/34/35/21/1028343521.db2.gz YRUSADKJNMLIMP-UHFFFAOYSA-N 0 0 341.480 3.805 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC000067609385 1028371619 /nfs/dbraw/zinc/37/16/19/1028371619.db2.gz TUBISXUNBCFKRI-GDBMZVCRSA-N 0 0 349.438 3.520 10 0 EHAERN Cc1ccccc1OC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000060912886 1028420824 /nfs/dbraw/zinc/42/08/24/1028420824.db2.gz WMVZLBWBBRWLFL-UHFFFAOYSA-N 0 0 329.421 3.514 10 0 EHAERN CCCc1noc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000246404006 1028477119 /nfs/dbraw/zinc/47/71/19/1028477119.db2.gz AROLKPOVCOXXEZ-LSDHHAIUSA-N 0 0 349.500 3.952 10 0 EHAERN Cc1nnc([C@H](NC(=O)[C@@H](C)CC2CCCC2)c2ccccc2)[nH]1 ZINC000072574985 1028506402 /nfs/dbraw/zinc/50/64/02/1028506402.db2.gz WBQZQWSWYARAMC-SUMWQHHRSA-N 0 0 326.444 3.535 10 0 EHAERN CCc1noc2ncc(C(=O)N3CC=C(c4ccccc4)CC3)cc12 ZINC000194669764 1028531957 /nfs/dbraw/zinc/53/19/57/1028531957.db2.gz OACZOGDQOFGCGG-UHFFFAOYSA-N 0 0 333.391 3.715 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2cccc(Cl)c2C)c2ccccc2)[nH]1 ZINC000194552014 1028541330 /nfs/dbraw/zinc/54/13/30/1028541330.db2.gz JXDULPQDERQJLN-MRXNPFEDSA-N 0 0 340.814 3.594 10 0 EHAERN COc1ccccc1[C@H](C)CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246453847 1028544147 /nfs/dbraw/zinc/54/41/47/1028544147.db2.gz IZXNFFPNHAPEDE-BGRCLHOASA-N 0 0 343.467 3.653 10 0 EHAERN c1csc([C@H](N[C@H]2CCCN(c3ccccc3)C2)c2ncc[nH]2)c1 ZINC000195036436 1028569118 /nfs/dbraw/zinc/56/91/18/1028569118.db2.gz UEIZWUVHQRPWMU-YJBOKZPZSA-N 0 0 338.480 3.819 10 0 EHAERN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)NC1CCSCC1 ZINC000195446175 1028612553 /nfs/dbraw/zinc/61/25/53/1028612553.db2.gz YGPAEAZCZWLIEX-UHFFFAOYSA-N 0 0 344.484 3.780 10 0 EHAERN CCCCCN(C(=O)NCC[C@@H]1c2ccccc2NC1=O)C(C)C ZINC000195264245 1028623943 /nfs/dbraw/zinc/62/39/43/1028623943.db2.gz JMGOOXCGTZOJDB-MRXNPFEDSA-N 0 0 331.460 3.723 10 0 EHAERN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)[C@H](c2ccccc2)CO1 ZINC000246512867 1028641995 /nfs/dbraw/zinc/64/19/95/1028641995.db2.gz GSTYYPGNUQAUQL-OSAQELSMSA-N 0 0 328.239 3.559 10 0 EHAERN Cc1ccc(-c2noc(CSC(=S)N3CCCC3)n2)cc1F ZINC000198872237 1028748919 /nfs/dbraw/zinc/74/89/19/1028748919.db2.gz CYNWPNYSODRZQZ-UHFFFAOYSA-N 0 0 337.445 3.798 10 0 EHAERN CC[C@](C)(NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1nc(C)cs1 ZINC000247495304 1028795181 /nfs/dbraw/zinc/79/51/81/1028795181.db2.gz UOQAIGPOCXHMIC-PNPHSEOMSA-N 0 0 330.453 3.758 10 0 EHAERN C[C@H]1CCN(Cc2nc3cc(Cl)ccc3n2C)C[C@H]1n1ccnc1 ZINC000247736759 1028812920 /nfs/dbraw/zinc/81/29/20/1028812920.db2.gz VPZYFPOBXGJZSE-SUMWQHHRSA-N 0 0 343.862 3.506 10 0 EHAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000248066912 1028846161 /nfs/dbraw/zinc/84/61/61/1028846161.db2.gz RKQRTQISHKRPML-PMPSAXMXSA-N 0 0 348.512 3.637 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(F)ccc3Cl)CCO2)o1 ZINC000153926417 1028939789 /nfs/dbraw/zinc/93/97/89/1028939789.db2.gz ZXKKUXXBFXOIFM-HNNXBMFYSA-N 0 0 338.766 3.986 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(F)c(F)cc3F)CCO2)o1 ZINC000153977924 1028950574 /nfs/dbraw/zinc/95/05/74/1028950574.db2.gz YNLBGQJQWNPIKD-HNNXBMFYSA-N 0 0 340.301 3.611 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@@H]1C1CCCC1 ZINC000077854416 1029163576 /nfs/dbraw/zinc/16/35/76/1029163576.db2.gz WOKQSYWSSPKKKE-RTBURBONSA-N 0 0 330.472 3.517 10 0 EHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000077854460 1029163791 /nfs/dbraw/zinc/16/37/91/1029163791.db2.gz XTEMXOBJVDSLOJ-IAGOWNOFSA-N 0 0 344.480 3.761 10 0 EHAERN O=C(Nc1ccccc1SC(F)(F)F)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251898638 1029167755 /nfs/dbraw/zinc/16/77/55/1029167755.db2.gz QUVUPMKBZUAMKI-WCQGTBRESA-N 0 0 346.374 3.988 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC[C@@H]3CCCCO3)C2)cc1 ZINC000078187905 1029240705 /nfs/dbraw/zinc/24/07/05/1029240705.db2.gz CKLYUBNFRUKHQO-WDYCEAGBSA-N 0 0 331.456 3.749 10 0 EHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000253547296 1029337255 /nfs/dbraw/zinc/33/72/55/1029337255.db2.gz PCSIULHSRSVCNI-VKJFTORMSA-N 0 0 341.407 3.859 10 0 EHAERN C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccncc1 ZINC000155026871 1029405276 /nfs/dbraw/zinc/40/52/76/1029405276.db2.gz LNYRDONFASHCAE-BBRMVZONSA-N 0 0 325.412 3.744 10 0 EHAERN C[C@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155499594 1029555766 /nfs/dbraw/zinc/55/57/66/1029555766.db2.gz BYQFTQGQYGOREZ-GOEBONIOSA-N 0 0 335.517 3.937 10 0 EHAERN CCCCCC[C@@](C)(CC)C(=O)NCc1cccnc1-n1cncn1 ZINC000079558056 1029663411 /nfs/dbraw/zinc/66/34/11/1029663411.db2.gz GRRCNFHVNDTJNS-LJQANCHMSA-N 0 0 343.475 3.665 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)c1cc(Cl)c(Cl)[nH]1 ZINC000155934802 1029700423 /nfs/dbraw/zinc/70/04/23/1029700423.db2.gz FXOMKVSRNIOADU-UHFFFAOYSA-N 0 0 344.267 3.782 10 0 EHAERN CCc1cccc(C)c1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156401202 1029831701 /nfs/dbraw/zinc/83/17/01/1029831701.db2.gz MZHLMKQWDJMXLQ-UHFFFAOYSA-N 0 0 340.471 3.778 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C)C[C@@H]2C)no1 ZINC000246778988 1030128279 /nfs/dbraw/zinc/12/82/79/1030128279.db2.gz ZGLJOYAYBBQSML-QPSCCSFWSA-N 0 0 334.464 3.864 10 0 EHAERN C[C@H](Cc1nc([C@H]2CN3CCC[C@]3(C)CO2)no1)C1CCCCC1 ZINC000329370423 1030541220 /nfs/dbraw/zinc/54/12/20/1030541220.db2.gz AROYFEGHYJKETN-IDHHARJASA-N 0 0 333.476 3.754 10 0 EHAERN O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cccc(-c2ncon2)c1 ZINC000170631996 1030690518 /nfs/dbraw/zinc/69/05/18/1030690518.db2.gz OXRPWXOOXYNMPE-UHFFFAOYSA-N 0 0 336.326 3.538 10 0 EHAERN O=C(/C=C/c1ccc2ccccc2n1)Nc1cccc(-c2ncon2)c1 ZINC000170632759 1030692491 /nfs/dbraw/zinc/69/24/91/1030692491.db2.gz JMFOCBUWTVSZBK-ZHACJKMWSA-N 0 0 342.358 3.937 10 0 EHAERN C[C@H](NC(=O)N[C@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000170883033 1030709558 /nfs/dbraw/zinc/70/95/58/1030709558.db2.gz LWSKOERLNIWBPD-HNAYVOBHSA-N 0 0 332.407 3.626 10 0 EHAERN O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1Cc2ccccc2[C@H]1O ZINC000170993183 1030742117 /nfs/dbraw/zinc/74/21/17/1030742117.db2.gz ZYHLAIQWSDTFEZ-LSDHHAIUSA-N 0 0 337.206 3.773 10 0 EHAERN O=C(c1ccc(N2CCCC2)nc1)N1CC=C(c2ccccc2)CC1 ZINC000171351125 1030756628 /nfs/dbraw/zinc/75/66/28/1030756628.db2.gz XPHWRAIVXUBBIW-UHFFFAOYSA-N 0 0 333.435 3.611 10 0 EHAERN O=C(Cc1cccc(Cl)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171612777 1030800368 /nfs/dbraw/zinc/80/03/68/1030800368.db2.gz AGLMQSWNTSEMAG-UHFFFAOYSA-N 0 0 328.843 3.759 10 0 EHAERN CC(C)(O)CNC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000171755089 1030815786 /nfs/dbraw/zinc/81/57/86/1030815786.db2.gz BGQWTQGRZGFKHV-AWEZNQCLSA-N 0 0 338.860 3.561 10 0 EHAERN O=C(c1ccc(F)cc1)N1CCC(c2nc(C3CCCC3)no2)CC1 ZINC000171791723 1030819034 /nfs/dbraw/zinc/81/90/34/1030819034.db2.gz WICIFGYHCGUOPX-UHFFFAOYSA-N 0 0 343.402 3.886 10 0 EHAERN Cc1ccc(-c2noc(C[C@H]3Sc4ccccc4NC3=O)n2)cc1 ZINC000172056356 1030825803 /nfs/dbraw/zinc/82/58/03/1030825803.db2.gz JFCLRTSMWFYILC-OAHLLOKOSA-N 0 0 337.404 3.701 10 0 EHAERN C[C@H](CC1CCCC1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000172159451 1030844118 /nfs/dbraw/zinc/84/41/18/1030844118.db2.gz FEABLMHFUWLRCI-QGZVFWFLSA-N 0 0 348.531 3.844 10 0 EHAERN Cc1csc([C@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)n1 ZINC000171906944 1030850731 /nfs/dbraw/zinc/85/07/31/1030850731.db2.gz IXYIHPGABWZZIE-AWEZNQCLSA-N 0 0 344.484 3.572 10 0 EHAERN O=C(c1coc(-c2ccccc2)n1)N1CCC(Cc2ccccn2)CC1 ZINC000172350246 1030870354 /nfs/dbraw/zinc/87/03/54/1030870354.db2.gz VPYORLONTTYYBS-UHFFFAOYSA-N 0 0 347.418 3.832 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)CC2)nc1 ZINC000157807908 1030876156 /nfs/dbraw/zinc/87/61/56/1030876156.db2.gz DLCSEAHZYJEQPU-MOPGFXCFSA-N 0 0 341.499 3.691 10 0 EHAERN CC(C)C[C@@H](C)S(=O)(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000172414420 1030944058 /nfs/dbraw/zinc/94/40/58/1030944058.db2.gz KMLDUAKLCLHSFR-CRAIPNDOSA-N 0 0 332.469 3.525 10 0 EHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172605680 1030978301 /nfs/dbraw/zinc/97/83/01/1030978301.db2.gz DXQYIQHRKUSRSP-NHCUHLMSSA-N 0 0 334.463 3.975 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)CCCc3cccs3)CC2)nc1 ZINC000157945109 1030980585 /nfs/dbraw/zinc/98/05/85/1030980585.db2.gz SXMNYVVKCKGXLG-UHFFFAOYSA-N 0 0 343.496 3.559 10 0 EHAERN CC(C)c1cnc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)s1 ZINC000172741249 1030989812 /nfs/dbraw/zinc/98/98/12/1030989812.db2.gz JYPLVEHGKTXORJ-GFCCVEGCSA-N 0 0 347.465 3.708 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)c2ccc([C@H]3CCCOC3)cc2)cs1 ZINC000329560178 1031118421 /nfs/dbraw/zinc/11/84/21/1031118421.db2.gz RCUNOLKZQPPQJU-WBMJQRKESA-N 0 0 330.453 3.837 10 0 EHAERN Cc1ccccc1CC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174071602 1031161669 /nfs/dbraw/zinc/16/16/69/1031161669.db2.gz BBWOXSUCYUZZRE-UHFFFAOYSA-N 0 0 326.415 3.780 10 0 EHAERN CCc1ccccc1NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000174537829 1031229922 /nfs/dbraw/zinc/22/99/22/1031229922.db2.gz QJOAFGBOHASMKM-UHFFFAOYSA-N 0 0 338.455 3.743 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3c3cccn3C)nc21 ZINC000175153973 1031282046 /nfs/dbraw/zinc/28/20/46/1031282046.db2.gz YAZSGCZPCQNEDS-QGZVFWFLSA-N 0 0 336.439 3.506 10 0 EHAERN O=C(c1ccccn1)N1CCC(c2nc(C3CCCCC3)no2)CC1 ZINC000174827372 1031283592 /nfs/dbraw/zinc/28/35/92/1031283592.db2.gz ZAMLVEWPCDQRJI-UHFFFAOYSA-N 0 0 340.427 3.532 10 0 EHAERN O=C(c1ncncc1Cl)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000175212437 1031312882 /nfs/dbraw/zinc/31/28/82/1031312882.db2.gz RZCAVWQOCUEHRB-MRXNPFEDSA-N 0 0 340.814 3.979 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3c3ccncc3)nc21 ZINC000175282707 1031321097 /nfs/dbraw/zinc/32/10/97/1031321097.db2.gz NNBBQKRKHLPGGW-KRWDZBQOSA-N 0 0 334.423 3.563 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCCSC(C)(C)C ZINC000158444446 1031353210 /nfs/dbraw/zinc/35/32/10/1031353210.db2.gz MIRZMAIFEQTNFM-ZDUSSCGKSA-N 0 0 338.521 3.665 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC4(C3)CCCCC4)nc21 ZINC000177196109 1031520531 /nfs/dbraw/zinc/52/05/31/1031520531.db2.gz CJZQLEIMDLEVCY-UHFFFAOYSA-N 0 0 325.456 3.987 10 0 EHAERN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2ccccc2c1 ZINC000177217955 1031524786 /nfs/dbraw/zinc/52/47/86/1031524786.db2.gz RSUGUVMPWHRUFF-HNNXBMFYSA-N 0 0 329.407 3.666 10 0 EHAERN Cc1ccc([C@@H]2CN(CC(=O)Nc3ccccc3C(C)C)CCO2)o1 ZINC000158849378 1031663123 /nfs/dbraw/zinc/66/31/23/1031663123.db2.gz XDJIKEGAIIADMM-IBGZPJMESA-N 0 0 342.439 3.723 10 0 EHAERN Cc1ccc([C@@H]2CN(Cc3coc(-c4ccc(F)cc4)n3)CCO2)o1 ZINC000158910758 1031729747 /nfs/dbraw/zinc/72/97/47/1031729747.db2.gz BYFQNSMMISAKSX-SFHVURJKSA-N 0 0 342.370 3.956 10 0 EHAERN COCc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000179083457 1031729926 /nfs/dbraw/zinc/72/99/26/1031729926.db2.gz ZSUNIXVDDMENLX-KRWDZBQOSA-N 0 0 343.814 3.749 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1coc(-c2cccs2)n1 ZINC000117588472 1031759388 /nfs/dbraw/zinc/75/93/88/1031759388.db2.gz CTTQFFJROSCCCL-ZBEGNZNMSA-N 0 0 340.404 3.584 10 0 EHAERN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117653314 1031787857 /nfs/dbraw/zinc/78/78/57/1031787857.db2.gz LHRREUXSNLNAGP-BTDLBPIBSA-N 0 0 344.798 3.802 10 0 EHAERN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117653318 1031787957 /nfs/dbraw/zinc/78/79/57/1031787957.db2.gz LHRREUXSNLNAGP-DYZYQPBXSA-N 0 0 344.798 3.802 10 0 EHAERN Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)o1 ZINC000158985442 1031789624 /nfs/dbraw/zinc/78/96/24/1031789624.db2.gz IMAUESZRPVZDFK-LPHOPBHVSA-N 0 0 342.439 3.605 10 0 EHAERN Cc1c(NC(=O)N2CCC[C@@H](c3nccs3)C2)cccc1N(C)C ZINC000180132905 1031806318 /nfs/dbraw/zinc/80/63/18/1031806318.db2.gz ZDPPFWKTMAHYGZ-CQSZACIVSA-N 0 0 344.484 3.929 10 0 EHAERN CC(=O)Nc1ccc(F)c(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117721306 1031840595 /nfs/dbraw/zinc/84/05/95/1031840595.db2.gz VVCRQSDZTNXWKP-UHFFFAOYSA-N 0 0 344.411 3.775 10 0 EHAERN Cc1cc(NC(=O)N[C@H](C)c2ccncc2)nn1-c1cccc(F)c1 ZINC000180738557 1031902824 /nfs/dbraw/zinc/90/28/24/1031902824.db2.gz FSKSXFZGAYPTOV-CYBMUJFWSA-N 0 0 339.374 3.598 10 0 EHAERN O=C(N[C@H]1CC12CCCCC2)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000181316973 1031971139 /nfs/dbraw/zinc/97/11/39/1031971139.db2.gz IJKXQQZUGLAGFN-SJORKVTESA-N 0 0 341.455 3.522 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1)c1ccncc1 ZINC000117957420 1031985819 /nfs/dbraw/zinc/98/58/19/1031985819.db2.gz SUEDIBDAAUKZCT-BEFAXECRSA-N 0 0 338.455 3.755 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000329736919 1032033883 /nfs/dbraw/zinc/03/38/83/1032033883.db2.gz STYHBWXHLDRYKR-AUJRIZCKSA-N 0 0 337.423 3.533 10 0 EHAERN CC1(C(=O)N2CCCN(C(=O)c3cccs3)CC2)CCCCCC1 ZINC000181995017 1032052598 /nfs/dbraw/zinc/05/25/98/1032052598.db2.gz IAZYAISLUWFWBO-UHFFFAOYSA-N 0 0 348.512 3.783 10 0 EHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1c(F)cccc1F ZINC000083540595 1033882711 /nfs/dbraw/zinc/88/27/11/1033882711.db2.gz LCLVCUFJPCOFEV-GFCCVEGCSA-N 0 0 331.366 3.837 10 0 EHAERN CC(C)C[C@@H](CCO)CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000085416107 1033955588 /nfs/dbraw/zinc/95/55/88/1033955588.db2.gz GLFXGNVWDBKGGM-QGZVFWFLSA-N 0 0 330.472 3.530 10 0 EHAERN COc1cccc(CNC(=O)N(Cc2ccc(C)s2)C(C)C)n1 ZINC000102013971 1034374128 /nfs/dbraw/zinc/37/41/28/1034374128.db2.gz MJIAHMFXWVZEHT-UHFFFAOYSA-N 0 0 333.457 3.580 10 0 EHAERN CS[C@@H](C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121342854 1034839761 /nfs/dbraw/zinc/83/97/61/1034839761.db2.gz SBFXVDWPZLNOTR-GOEBONIOSA-N 0 0 343.496 3.924 10 0 EHAERN C[C@@]1(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CC1(Cl)Cl ZINC000186198612 1035599938 /nfs/dbraw/zinc/59/99/38/1035599938.db2.gz XBVJZQDYBBBQNB-OCCSQVGLSA-N 0 0 348.657 3.824 10 0 EHAERN COc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c(OC)c1 ZINC000186539096 1035657289 /nfs/dbraw/zinc/65/72/89/1035657289.db2.gz AKQVWVQSWRQPKM-LBPRGKRZSA-N 0 0 341.411 3.854 10 0 EHAERN Cc1ccccc1[C@H](C)NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186627973 1035675583 /nfs/dbraw/zinc/67/55/83/1035675583.db2.gz OWIQECLCSWBREW-ZDUSSCGKSA-N 0 0 338.411 3.855 10 0 EHAERN CN1Cc2cc(NC(=O)N3CCCC(C)(C)CC3)ccc2NC1=O ZINC000186658561 1035678057 /nfs/dbraw/zinc/67/80/57/1035678057.db2.gz PJODQIMBSNDTKK-UHFFFAOYSA-N 0 0 330.432 3.708 10 0 EHAERN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2csc(C)n2)ccc1F ZINC000187009129 1035738995 /nfs/dbraw/zinc/73/89/95/1035738995.db2.gz HEZOTVRIBVCOHS-BVBGJJFLSA-N 0 0 346.427 3.976 10 0 EHAERN COc1cnccc1[C@@H](C)NCc1nnc(-c2ccccc2Cl)o1 ZINC000187055401 1035748459 /nfs/dbraw/zinc/74/84/59/1035748459.db2.gz MZLFQLLVDZNRFB-LLVKDONJSA-N 0 0 344.802 3.644 10 0 EHAERN CC(C)CC(C)(C)CNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187478239 1035828510 /nfs/dbraw/zinc/82/85/10/1035828510.db2.gz VYOPMPMXRDTIQP-UHFFFAOYSA-N 0 0 338.521 3.801 10 0 EHAERN Cc1ccc(F)c(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188372404 1035919089 /nfs/dbraw/zinc/91/90/89/1035919089.db2.gz LUJKJZNDKDJYOW-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN CSc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000188456071 1035940310 /nfs/dbraw/zinc/94/03/10/1035940310.db2.gz WCPXIWXBTYNRFJ-UHFFFAOYSA-N 0 0 348.497 3.973 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(-c2ccco2)nc2ccccc21 ZINC000188747174 1035962491 /nfs/dbraw/zinc/96/24/91/1035962491.db2.gz BQBIOOFYZNKQJU-WIBUTAKZSA-N 0 0 348.402 3.792 10 0 EHAERN Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1C ZINC000188792811 1035976000 /nfs/dbraw/zinc/97/60/00/1035976000.db2.gz ISLXUBGWHNWFBC-QUCCMNQESA-N 0 0 347.414 3.952 10 0 EHAERN C[C@H]1CC[C@@H](NC(=O)c2coc(C3CCOCC3)n2)c2ccccc21 ZINC000332694424 1035986404 /nfs/dbraw/zinc/98/64/04/1035986404.db2.gz GOAWVECEUXQCMG-SUMWQHHRSA-N 0 0 340.423 3.937 10 0 EHAERN Fc1ccccc1-n1ccc(CN2CCC[C@@H](c3nccs3)C2)n1 ZINC000188921059 1035987621 /nfs/dbraw/zinc/98/76/21/1035987621.db2.gz OKDHWRYOAQACAF-CQSZACIVSA-N 0 0 342.443 3.848 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000189646743 1036105294 /nfs/dbraw/zinc/10/52/94/1036105294.db2.gz JWWWNYNAZOSESO-LJQANCHMSA-N 0 0 346.434 3.908 10 0 EHAERN CCOCc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1 ZINC000102320508 1036231522 /nfs/dbraw/zinc/23/15/22/1036231522.db2.gz FRLVPGHDUSHVLM-UHFFFAOYSA-N 0 0 325.455 3.702 10 0 EHAERN Cc1ccc(/C=C/C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190376246 1036233130 /nfs/dbraw/zinc/23/31/30/1036233130.db2.gz HGWCNSNEKOXRAK-VOTSOKGWSA-N 0 0 327.453 3.568 10 0 EHAERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCO[C@@H](c2nccs2)C1 ZINC000332829048 1036242117 /nfs/dbraw/zinc/24/21/17/1036242117.db2.gz ONUSHBUIMRHLLP-CAOSSQGBSA-N 0 0 349.500 3.585 10 0 EHAERN CCc1nc([C@H](C)NC(=O)N[C@H]2CCOc3c(C)cccc32)cs1 ZINC000190651705 1036271380 /nfs/dbraw/zinc/27/13/80/1036271380.db2.gz WNPJPXKSZPOSMZ-JSGCOSHPSA-N 0 0 345.468 3.898 10 0 EHAERN FC(F)(F)COCCCN1CC2(CCOCC2)c2ccccc21 ZINC000192278243 1036490271 /nfs/dbraw/zinc/49/02/71/1036490271.db2.gz CATVHJDAUDUCFL-UHFFFAOYSA-N 0 0 329.362 3.524 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000332898607 1036502965 /nfs/dbraw/zinc/50/29/65/1036502965.db2.gz KXMREQXHUHWWCD-FUHWJXTLSA-N 0 0 338.455 3.553 10 0 EHAERN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000192464761 1036509121 /nfs/dbraw/zinc/50/91/21/1036509121.db2.gz QULUYYXPFPECBI-AWEZNQCLSA-N 0 0 343.814 3.752 10 0 EHAERN CC(C)(C)c1noc(CCC(=O)Nc2cc(F)ccc2Cl)n1 ZINC000102740870 1036616622 /nfs/dbraw/zinc/61/66/22/1036616622.db2.gz BCUBAKRGHCMYCK-UHFFFAOYSA-N 0 0 325.771 3.731 10 0 EHAERN NC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1F ZINC000102630091 1036752194 /nfs/dbraw/zinc/75/21/94/1036752194.db2.gz IIEWCPHGVVPDDU-UHFFFAOYSA-N 0 0 342.301 3.576 10 0 EHAERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000091232059 1036754541 /nfs/dbraw/zinc/75/45/41/1036754541.db2.gz MWAPVHQINUUHIL-ZTNFWEORSA-N 0 0 346.446 3.540 10 0 EHAERN O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102915301 1036789634 /nfs/dbraw/zinc/78/96/34/1036789634.db2.gz UWZDUSNIKKBVBB-SFHVURJKSA-N 0 0 346.386 3.941 10 0 EHAERN C[C@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)Sc1ccccc1 ZINC000132957183 1036928717 /nfs/dbraw/zinc/92/87/17/1036928717.db2.gz FZWNHUHZOMKIJT-MDZRGWNJSA-N 0 0 348.512 3.504 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000105014947 1037129058 /nfs/dbraw/zinc/12/90/58/1037129058.db2.gz JHZFXOBKPKPXBR-INIZCTEOSA-N 0 0 325.412 3.722 10 0 EHAERN CC(C)CNc1nnc(SCc2nc(-c3ccoc3)no2)s1 ZINC000105572847 1037211985 /nfs/dbraw/zinc/21/19/85/1037211985.db2.gz OHUCHVJMOSQXQX-UHFFFAOYSA-N 0 0 337.430 3.541 10 0 EHAERN Brc1cncc(N2CCC(Cc3ccccn3)CC2)c1 ZINC000193568647 1037382217 /nfs/dbraw/zinc/38/22/17/1037382217.db2.gz RIPRMUGSSYJTLY-UHFFFAOYSA-N 0 0 332.245 3.698 10 0 EHAERN O=C(CCCOc1ccc(F)cc1)Nc1cccc(-c2ncon2)c1 ZINC000101525593 1037571068 /nfs/dbraw/zinc/57/10/68/1037571068.db2.gz LKJDTBBDHVLUAG-UHFFFAOYSA-N 0 0 341.342 3.673 10 0 EHAERN Cc1n[nH]cc1CNc1cccc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000310652076 1037691691 /nfs/dbraw/zinc/69/16/91/1037691691.db2.gz JMRDUICIHWRUHF-UHFFFAOYSA-N 0 0 342.443 3.623 10 0 EHAERN COCCOc1cc(C)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117621057 1037856840 /nfs/dbraw/zinc/85/68/40/1037856840.db2.gz FSKXERCINOZTMI-AUUYWEPGSA-N 0 0 341.407 3.523 10 0 EHAERN O=C(c1cccs1)N1CCCN(CCSc2ccccc2)CC1 ZINC000117883030 1037863503 /nfs/dbraw/zinc/86/35/03/1037863503.db2.gz METPIEZWFJFQGT-UHFFFAOYSA-N 0 0 346.521 3.688 10 0 EHAERN Cc1ccc(NC(=O)Cc2noc([C@H]3Oc4ccccc4[C@@H]3C)n2)cc1 ZINC000118165402 1037869594 /nfs/dbraw/zinc/86/95/94/1037869594.db2.gz DRDDKXCHZMKVMY-DJJJIMSYSA-N 0 0 349.390 3.796 10 0 EHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H]1C1CCCCC1)CCC2 ZINC000332686454 1037951151 /nfs/dbraw/zinc/95/11/51/1037951151.db2.gz NWUFWEDNKLAQIP-QZTJIDSGSA-N 0 0 344.503 3.823 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000332893034 1037959273 /nfs/dbraw/zinc/95/92/73/1037959273.db2.gz PEUNPDKQNZMZQV-QRTARXTBSA-N 0 0 344.480 3.575 10 0 EHAERN CC[C@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccc(F)cc1 ZINC000123882603 1038095913 /nfs/dbraw/zinc/09/59/13/1038095913.db2.gz RADYRSDKQWJBLU-WMZOPIPTSA-N 0 0 331.387 3.821 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000247128469 1039234906 /nfs/dbraw/zinc/23/49/06/1039234906.db2.gz VEYOLLVKQWEFIX-YEWWUXTCSA-N 0 0 336.863 3.738 10 0 EHAERN CC(=O)Nc1ccc(F)c(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000408405340 1039290759 /nfs/dbraw/zinc/29/07/59/1039290759.db2.gz QQUPEYHBPNYQPN-CJBNDPTMSA-N 0 0 333.407 3.969 10 0 EHAERN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332686498 1040103836 /nfs/dbraw/zinc/10/38/36/1040103836.db2.gz NYVUZZWEJHLNQF-XZKMEQPCSA-N 0 0 348.874 3.533 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000332783056 1040126416 /nfs/dbraw/zinc/12/64/16/1040126416.db2.gz KFBBJGVBWPIZAV-AHCXZYCDSA-N 0 0 330.476 3.626 10 0 EHAERN CCC1CCC(CNC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000171357095 1040161526 /nfs/dbraw/zinc/16/15/26/1040161526.db2.gz SIBUAEQXVIUKLC-OFLPRAFFSA-N 0 0 348.491 3.559 10 0 EHAERN C[C@H](NC(=O)N[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(F)c(Cl)c1 ZINC000332875050 1040170388 /nfs/dbraw/zinc/17/03/88/1040170388.db2.gz RFTCYVNBXHWWPM-FGDXXIHYSA-N 0 0 340.826 3.797 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)nn1-c1ccccc1Cl ZINC000330243515 1040686526 /nfs/dbraw/zinc/68/65/26/1040686526.db2.gz JURBTBWDXNHZLW-ZFWWWQNUSA-N 0 0 344.846 3.662 10 0 EHAERN CC(C)[C@@H]1N(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC12CCC2 ZINC000332980215 1040709222 /nfs/dbraw/zinc/70/92/22/1040709222.db2.gz LSUFHLQVQDXLNR-KDOFPFPSSA-N 0 0 344.455 3.739 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000408446705 1040896358 /nfs/dbraw/zinc/89/63/58/1040896358.db2.gz PBIXVFCNIIZQPK-JYJNAYRXSA-N 0 0 347.507 3.750 10 0 EHAERN O=C(Nc1cccc2c1CCO2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000333033195 1041077799 /nfs/dbraw/zinc/07/77/99/1041077799.db2.gz MVNZPTNNVMNAAB-GHMZBOCLSA-N 0 0 328.334 3.864 10 0 EHAERN Cc1nnc([C@H]2Cc3ccccc3CN2c2ccnc(C(C)C)n2)o1 ZINC000110252752 1041521584 /nfs/dbraw/zinc/52/15/84/1041521584.db2.gz XNDXZZKXIDESGG-MRXNPFEDSA-N 0 0 335.411 3.595 10 0 EHAERN CC1(C)CC[C@@H]2C[C@@H](NC(=O)N3CC[C@H](CCO)C3)c3cccc1c32 ZINC000408120382 1041724208 /nfs/dbraw/zinc/72/42/08/1041724208.db2.gz GICYDICWFTVTTM-IIDMSEBBSA-N 0 0 342.483 3.700 10 0 EHAERN CCCCC[C@H](NC(=O)N1CCC(n2cncn2)CC1)C(C)(C)C ZINC000115848648 1041774429 /nfs/dbraw/zinc/77/44/29/1041774429.db2.gz YRNRKNSRRHQJIG-INIZCTEOSA-N 0 0 335.496 3.620 10 0 EHAERN CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cn3c(n2)CCCC3)CC1 ZINC000408180379 1042157587 /nfs/dbraw/zinc/15/75/87/1042157587.db2.gz QDOCEXQCWWZHKW-OAHLLOKOSA-N 0 0 332.492 3.577 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1cccc(Cl)c1 ZINC000330250625 1042546823 /nfs/dbraw/zinc/54/68/23/1042546823.db2.gz NBCUVYSIPNOCGO-CZUORRHYSA-N 0 0 344.846 3.662 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2ccc(F)cc2F)c2ccccc2)[nH]1 ZINC000162507557 1042735536 /nfs/dbraw/zinc/73/55/36/1042735536.db2.gz ICWGDIIOLCTWOH-APPDUMDISA-N 0 0 328.366 3.832 10 0 EHAERN C[C@H]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)C[C@@H](C)C1 ZINC000121395399 1042765630 /nfs/dbraw/zinc/76/56/30/1042765630.db2.gz GEQLODVBALQFCU-GJZGRUSLSA-N 0 0 326.444 3.987 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000268135539 1128448570 /nfs/dbraw/zinc/44/85/70/1128448570.db2.gz RCFXOHZUNVXIJE-QWQRMKEZSA-N 0 0 339.439 3.803 10 0 EHAERN CCOc1ccc(-c2noc(CCC(=O)OCC(C)(C)C)n2)cc1 ZINC000103700964 1131786242 /nfs/dbraw/zinc/78/62/42/1131786242.db2.gz OWLUDKAGTLONTD-UHFFFAOYSA-N 0 0 332.400 3.657 10 0 EHAERN CCOc1ccccc1[C@H](CC(=O)OC[C@H]1CC=CCC1)NC(C)=O ZINC000102907840 1135691300 /nfs/dbraw/zinc/69/13/00/1135691300.db2.gz DFEWJNCGUPHESE-WMZOPIPTSA-N 0 0 345.439 3.552 10 0 EHAERN CC(C)(C)c1nc(CS(=O)(=O)Cc2ccc(Cl)nc2)cs1 ZINC000102948665 1135708045 /nfs/dbraw/zinc/70/80/45/1135708045.db2.gz UKCBXDABRGGLST-UHFFFAOYSA-N 0 0 344.889 3.604 10 0 EHAERN COc1ccc([C@@H](CC(=O)OC2CCCCCCC2)NC(C)=O)cc1 ZINC000105438778 1135946244 /nfs/dbraw/zinc/94/62/44/1135946244.db2.gz IKSGWUHFEWRTGJ-LJQANCHMSA-N 0 0 347.455 3.919 10 0 EHAERN CC[C@H](COC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1 ZINC000105775162 1135976201 /nfs/dbraw/zinc/97/62/01/1135976201.db2.gz WTKVJHMXMDBXMY-MRXNPFEDSA-N 0 0 331.456 3.618 10 0 EHAERN COc1ccc(C(=O)CCCC(=O)O[C@H]2CCC[C@H](OC)C2)cc1 ZINC000103669310 1137469434 /nfs/dbraw/zinc/46/94/34/1137469434.db2.gz GRQVIVPDNAUVBD-IRXDYDNUSA-N 0 0 334.412 3.549 10 0 EHAERN CCCCOc1ccccc1COC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000103674943 1137470926 /nfs/dbraw/zinc/47/09/26/1137470926.db2.gz NDLXECVBAQGDNY-QGZVFWFLSA-N 0 0 347.455 3.556 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)c(OC)c1OC ZINC000102954468 1137874642 /nfs/dbraw/zinc/87/46/42/1137874642.db2.gz UYCBALVFCQRYKE-AWEZNQCLSA-N 0 0 334.416 3.509 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000104989617 1137879760 /nfs/dbraw/zinc/87/97/60/1137879760.db2.gz ZBSCWKSFNBLUKW-UHFFFAOYSA-N 0 0 349.438 3.754 10 0 EHAERN CC(C)c1noc(-c2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc2)n1 ZINC000333100725 1137955346 /nfs/dbraw/zinc/95/53/46/1137955346.db2.gz FQYGVEYDQALIFE-HIFRSBDPSA-N 0 0 326.400 3.876 10 0 EHAERN CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)s1 ZINC000333230897 1137958848 /nfs/dbraw/zinc/95/88/48/1137958848.db2.gz YGHGXWAUYBGPKA-YIYPIFLZSA-N 0 0 342.530 3.525 10 0 EHAERN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C1CC1 ZINC000001990595 1138037668 /nfs/dbraw/zinc/03/76/68/1138037668.db2.gz FTTVHARYVAYMES-UHFFFAOYSA-N 0 0 345.420 3.949 10 0 EHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000333354779 1138280340 /nfs/dbraw/zinc/28/03/40/1138280340.db2.gz SGKKPGMAHGQPSK-FUHWJXTLSA-N 0 0 341.455 3.719 10 0 EHAERN CC1(C)CCc2sc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)nc21 ZINC000333506973 1138298190 /nfs/dbraw/zinc/29/81/90/1138298190.db2.gz IMVWOSJJDUZXNG-GFCCVEGCSA-N 0 0 345.472 3.849 10 0 EHAERN COc1ccc([C@@H](C)C(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187072127 1140236007 /nfs/dbraw/zinc/23/60/07/1140236007.db2.gz BDIMSEPBLZDWID-PXAZEXFGSA-N 0 0 330.453 3.927 10 0 EHAERN CCc1c(C(=O)N2CCC[C@H]2c2csc(C)n2)[nH]c(C)c1C(C)=O ZINC000187068298 1140236310 /nfs/dbraw/zinc/23/63/10/1140236310.db2.gz KXMSBSAXMREOLI-HNNXBMFYSA-N 0 0 345.468 3.830 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)cs1 ZINC000188116498 1140283737 /nfs/dbraw/zinc/28/37/37/1140283737.db2.gz NPRFHNMPHGNWST-ZDUSSCGKSA-N 0 0 329.381 3.677 10 0 EHAERN COCCOc1ccc(CN2CCC[C@H]2c2csc(C)n2)cc1 ZINC000189923086 1140371043 /nfs/dbraw/zinc/37/10/43/1140371043.db2.gz RAPNRMHKOXDZJU-SFHVURJKSA-N 0 0 332.469 3.814 10 0 EHAERN CCCNc1ncc(Br)cc1C(=O)N(CC)CCC ZINC000050747111 214068566 /nfs/dbraw/zinc/06/85/66/214068566.db2.gz OUNNMPGJDPCNNT-UHFFFAOYSA-N 0 0 328.254 3.538 10 0 EHAERN O[C@@H](Cc1ccccc1F)Cc1cc(Br)ccc1F ZINC000053786062 214199313 /nfs/dbraw/zinc/19/93/13/214199313.db2.gz JZVKONOTAJLETC-ZDUSSCGKSA-N 0 0 327.168 3.873 10 0 EHAERN COC(=O)c1sc2c(cnc3cc(Br)ccc23)c1N ZINC000053994637 214210258 /nfs/dbraw/zinc/21/02/58/214210258.db2.gz SAZCMYXGQJNSAR-UHFFFAOYSA-N 0 0 337.198 3.581 10 0 EHAERN CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc(Br)c1 ZINC000055482659 214325178 /nfs/dbraw/zinc/32/51/78/214325178.db2.gz IGTAQVVVOHMMDE-NSHDSACASA-N 0 0 334.279 3.504 10 0 EHAERN C/C=C/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(OC)c1 ZINC000100242301 219094951 /nfs/dbraw/zinc/09/49/51/219094951.db2.gz DUJVZCGUKFERJT-NXPZCULJSA-N 0 0 336.391 3.524 10 0 EHAERN C/C=C/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000100409406 219098321 /nfs/dbraw/zinc/09/83/21/219098321.db2.gz FQXFUFYGYVFQDK-NFAQBHPGSA-N 0 0 336.391 3.524 10 0 EHAERN O=C1OC(c2cccc3ccccc32)=NC1=CNCc1ccccc1 ZINC000100438781 219099454 /nfs/dbraw/zinc/09/94/54/219099454.db2.gz PZSPZFRKCNBMTI-RGEXLXHISA-N 0 0 328.371 3.774 10 0 EHAERN Cc1nc2ccccc2c(SCC(=O)Nc2ccccc2F)n1 ZINC000004241540 210149561 /nfs/dbraw/zinc/14/95/61/210149561.db2.gz YPYJCKGXBMTPJU-UHFFFAOYSA-N 0 0 327.384 3.808 10 0 EHAERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)[C@H]1C[C@@H]1c1ccco1 ZINC000067041483 215106884 /nfs/dbraw/zinc/10/68/84/215106884.db2.gz JKAHNLKCZWUIHM-STQMWFEESA-N 0 0 344.798 3.802 10 0 EHAERN CCCCOC(=O)c1cccc(NC(=S)NC(=O)C(C)(C)C)c1 ZINC000040897951 213398666 /nfs/dbraw/zinc/39/86/66/213398666.db2.gz SXUPVVLGJRCKAU-UHFFFAOYSA-N 0 0 336.457 3.503 10 0 EHAERN Cc1cc(C)n(-c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)n1 ZINC000040799994 213388974 /nfs/dbraw/zinc/38/89/74/213388974.db2.gz DHPZNPALUHOKMP-UHFFFAOYSA-N 0 0 348.332 3.624 10 0 EHAERN Cc1cccnc1Nc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040758038 213382700 /nfs/dbraw/zinc/38/27/00/213382700.db2.gz JABOIIFWQPGQQN-UHFFFAOYSA-N 0 0 326.791 3.903 10 0 EHAERN COc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735682 213378970 /nfs/dbraw/zinc/37/89/70/213378970.db2.gz AYHDOKLCDDZZHM-UHFFFAOYSA-N 0 0 343.475 3.929 10 0 EHAERN CCN(CC)c1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040723214 213376559 /nfs/dbraw/zinc/37/65/59/213376559.db2.gz MPGRLPBHSSBTRL-UHFFFAOYSA-N 0 0 326.231 3.955 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1 ZINC000040684889 213369945 /nfs/dbraw/zinc/36/99/45/213369945.db2.gz FCDXHBSZDKRSNL-UHFFFAOYSA-N 0 0 335.367 3.583 10 0 EHAERN CCN(c1ccccc1)c1ncnc(N2CCc3ccccc32)c1N ZINC000040679399 213367979 /nfs/dbraw/zinc/36/79/79/213367979.db2.gz CKSNPIQCIXVZLU-UHFFFAOYSA-N 0 0 331.423 3.911 10 0 EHAERN CCN(c1cccc(C)c1)c1ncnc(Nc2ncccc2C)c1N ZINC000040661781 213364766 /nfs/dbraw/zinc/36/47/66/213364766.db2.gz AXFMVCGGVZHXHS-UHFFFAOYSA-N 0 0 334.427 3.972 10 0 EHAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2CCCO)cc1 ZINC000040402453 213298789 /nfs/dbraw/zinc/29/87/89/213298789.db2.gz DPBFKRSJEGDQFB-UHFFFAOYSA-N 0 0 330.815 3.960 10 0 EHAERN Cc1ccc(OCc2nc3ccccc3n2CC(=O)OC(C)C)cc1 ZINC000040234941 213284112 /nfs/dbraw/zinc/28/41/12/213284112.db2.gz VBGSWCGHNXHHRZ-UHFFFAOYSA-N 0 0 338.407 3.875 10 0 EHAERN CCOC(=O)c1c(C)c(C)[nH]c1Cc1[nH]c(C)c(C)c1C(=O)OCC ZINC000001608712 209766770 /nfs/dbraw/zinc/76/67/70/209766770.db2.gz ANCMIPMEFNFXRO-UHFFFAOYSA-N 0 0 346.427 3.521 10 0 EHAERN Cc1nc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)sc1C ZINC000039962937 213247082 /nfs/dbraw/zinc/24/70/82/213247082.db2.gz QZTOKXSYSMBAQO-UHFFFAOYSA-N 0 0 347.827 3.518 10 0 EHAERN CCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)nc1C1CCC1 ZINC000039954849 213244669 /nfs/dbraw/zinc/24/46/69/213244669.db2.gz YNRAUVWNLPRSTF-UHFFFAOYSA-N 0 0 337.782 3.691 10 0 EHAERN O=C(c1ccccc1)[C@@H](c1ccccc1)n1cnc(=O)c2ccccc21 ZINC000039208322 213231331 /nfs/dbraw/zinc/23/13/31/213231331.db2.gz TWJHZPXJPNMEAI-HXUWFJFHSA-N 0 0 340.382 3.869 10 0 EHAERN Cc1nccc(CN[C@H]2CCCOc3cc(Br)ccc32)n1 ZINC000038037773 213195372 /nfs/dbraw/zinc/19/53/72/213195372.db2.gz PTQGMCGIPGKFEH-HNNXBMFYSA-N 0 0 348.244 3.551 10 0 EHAERN CCn1cc(N[C@H](C)c2ccc(Br)s2)ccc1=O ZINC000038003422 213187649 /nfs/dbraw/zinc/18/76/49/213187649.db2.gz ROTVPPFGLSBQQI-SECBINFHSA-N 0 0 327.247 3.865 10 0 EHAERN Nc1cc2c(cc1COc1ccc(Cl)c(Cl)c1)OCCO2 ZINC000038001362 213186372 /nfs/dbraw/zinc/18/63/72/213186372.db2.gz NYTCGLOSVMXJJN-UHFFFAOYSA-N 0 0 326.179 3.926 10 0 EHAERN CN(C)c1ccc(Br)cc1NC(=O)c1ccccc1F ZINC000037976192 213179292 /nfs/dbraw/zinc/17/92/92/213179292.db2.gz SGPFQNHQRVVTOC-UHFFFAOYSA-N 0 0 337.192 3.907 10 0 EHAERN CCOC(=O)[C@H](NC1CCCCC1)c1ccccc1Br ZINC000037972237 213177979 /nfs/dbraw/zinc/17/79/79/213177979.db2.gz WQQAPBNUUCDAOH-OAHLLOKOSA-N 0 0 340.261 3.976 10 0 EHAERN CN[C@H](c1ccc(Br)o1)c1c(F)cc(OC)cc1F ZINC000037903427 213172309 /nfs/dbraw/zinc/17/23/09/213172309.db2.gz DNBXNOQTUFFBNI-CYBMUJFWSA-N 0 0 332.144 3.638 10 0 EHAERN Cc1cc(C(=O)Nc2ccccn2)c2c(n1)onc2-c1ccccc1F ZINC000036618480 213103729 /nfs/dbraw/zinc/10/37/29/213103729.db2.gz PIOLJYNHCVBXPD-UHFFFAOYSA-N 0 0 348.337 3.985 10 0 EHAERN COc1ccc(C(=O)N2CCC[C@H](OCc3ccc(C)cc3)C2)cc1 ZINC000036314731 213083546 /nfs/dbraw/zinc/08/35/46/213083546.db2.gz ZCIMCGDQSVPISF-FQEVSTJZSA-N 0 0 339.435 3.825 10 0 EHAERN Cc1cccc(-c2c(CO)nnn2-c2ccccc2C(F)(F)F)c1 ZINC000070457319 215695791 /nfs/dbraw/zinc/69/57/91/215695791.db2.gz QONVOJRSWVJYGG-UHFFFAOYSA-N 0 0 333.313 3.754 10 0 EHAERN Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2Cl)c1 ZINC000034973227 213003939 /nfs/dbraw/zinc/00/39/39/213003939.db2.gz FXNWFYNOHWMBLZ-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN COc1ccc(Br)cc1[C@@H](N)c1c(F)cccc1F ZINC000034972026 213003894 /nfs/dbraw/zinc/00/38/94/213003894.db2.gz FKAXEBIMGFMUOT-CQSZACIVSA-N 0 0 328.156 3.784 10 0 EHAERN CCn1c(C)cc(=O)c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc21 ZINC000032605752 212816333 /nfs/dbraw/zinc/81/63/33/212816333.db2.gz BOUMGYHCOHVPNT-UHFFFAOYSA-N 0 0 342.345 3.860 10 0 EHAERN COc1cc(Br)c(C(=O)Cc2ccccc2)cc1OC ZINC000037360475 213141167 /nfs/dbraw/zinc/14/11/67/213141167.db2.gz JNAOBIXYDFXCCK-UHFFFAOYSA-N 0 0 335.197 3.892 10 0 EHAERN CC(C)c1nccn1-c1nccnc1[C@H]1CCCN1Cc1cccnc1 ZINC000072359248 216165478 /nfs/dbraw/zinc/16/54/78/216165478.db2.gz RKSBMJGEEWNGKB-QGZVFWFLSA-N 0 0 348.454 3.518 10 0 EHAERN C[C@H](NCc1ccc(I)o1)c1ccccc1F ZINC000037764335 213166289 /nfs/dbraw/zinc/16/62/89/213166289.db2.gz BPNCGEZYDMHHKK-VIFPVBQESA-N 0 0 345.155 3.874 10 0 EHAERN O=C1CSC(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccs2)=N1 ZINC000072413948 216204746 /nfs/dbraw/zinc/20/47/46/216204746.db2.gz MPPRAEPXOVYXRA-CYBMUJFWSA-N 0 0 345.424 3.668 10 0 EHAERN O=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450872 216239106 /nfs/dbraw/zinc/23/91/06/216239106.db2.gz NLDJRHKRNSAGHJ-UHFFFAOYSA-N 0 0 338.794 3.625 10 0 EHAERN Cc1ccc(-c2cnnn2-c2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000024565535 212426350 /nfs/dbraw/zinc/42/63/50/212426350.db2.gz WGCUZWYNTVXDFH-UHFFFAOYSA-N 0 0 346.434 3.915 10 0 EHAERN Cc1noc(-c2cccnc2)c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000022661456 212314543 /nfs/dbraw/zinc/31/45/43/212314543.db2.gz IDSWJDYHAXVISX-QGZVFWFLSA-N 0 0 333.391 3.852 10 0 EHAERN CC(C)(C)OC(=O)n1nc(Cl)c2cc(Br)ncc21 ZINC000211644519 241084545 /nfs/dbraw/zinc/08/45/45/241084545.db2.gz KVUCKKGNZBTUSR-UHFFFAOYSA-N 0 0 332.585 3.630 10 0 EHAERN O=C(Nc1c(-c2ccccc2)n[nH]c1C(F)(F)F)c1ccccn1 ZINC000216060935 241160624 /nfs/dbraw/zinc/16/06/24/241160624.db2.gz GNYAGBXOVXNULZ-UHFFFAOYSA-N 0 0 332.285 3.743 10 0 EHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC1CCCCCCC1 ZINC000021273496 212217774 /nfs/dbraw/zinc/21/77/74/212217774.db2.gz PKMDAFBINJMOHN-INIZCTEOSA-N 0 0 332.469 3.719 10 0 EHAERN COc1cccc([C@H](CC(=O)Nc2nccs2)n2cccc2)c1 ZINC000020998296 212197743 /nfs/dbraw/zinc/19/77/43/212197743.db2.gz DWGCNUXHGBFPGT-HNNXBMFYSA-N 0 0 327.409 3.571 10 0 EHAERN Cc1c(C(=O)NCCC2=CCCCC2)oc2c1-c1n[nH]cc1CC2 ZINC000020900755 212185114 /nfs/dbraw/zinc/18/51/14/212185114.db2.gz BSSAFWSUFJCOBU-UHFFFAOYSA-N 0 0 325.412 3.697 10 0 EHAERN CC[C@H](C)Sc1nnc(NC(=O)C(Cl)(Cl)Cl)s1 ZINC000020573292 212148687 /nfs/dbraw/zinc/14/86/87/212148687.db2.gz VJKUSUYQFRXJOM-BYPYZUCNSA-N 0 0 334.681 3.737 10 0 EHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1c(C)cc(Br)cc1C ZINC000020420382 212127891 /nfs/dbraw/zinc/12/78/91/212127891.db2.gz SMHVPYSYPBJFNG-NEPJUHHUSA-N 0 0 327.266 3.781 10 0 EHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)c1 ZINC000020374046 212123623 /nfs/dbraw/zinc/12/36/23/212123623.db2.gz KSWMHYXJTWFMHL-SFHVURJKSA-N 0 0 348.446 3.784 10 0 EHAERN CCOC(=O)c1nn(-c2cc(Cl)ccc2Cl)cc1C(C)=O ZINC000020272322 212115748 /nfs/dbraw/zinc/11/57/48/212115748.db2.gz RYZFQTYBDZSRHP-UHFFFAOYSA-N 0 0 327.167 3.558 10 0 EHAERN COc1cccc(NCC(=O)Nc2ccccc2Br)c1 ZINC000020055800 212099057 /nfs/dbraw/zinc/09/90/57/212099057.db2.gz YWQQFOSDQVFTQB-UHFFFAOYSA-N 0 0 335.201 3.508 10 0 EHAERN O=C(CNc1ccc(F)cc1F)Nc1ccc(Br)cc1 ZINC000020053309 212098752 /nfs/dbraw/zinc/09/87/52/212098752.db2.gz CVRJXCARRCBOAN-UHFFFAOYSA-N 0 0 341.155 3.778 10 0 EHAERN COC(=O)c1c(C)nc(-c2ccccc2Br)[nH]c1=S ZINC000019511432 212035617 /nfs/dbraw/zinc/03/56/17/212035617.db2.gz XGWFGRACOOTHGS-UHFFFAOYSA-N 0 0 339.214 3.664 10 0 EHAERN Nc1c(-c2ccc(Br)cc2)ncn1Cc1ccccc1 ZINC000019439716 212028748 /nfs/dbraw/zinc/02/87/48/212028748.db2.gz DCIVQSKJQBLBMA-UHFFFAOYSA-N 0 0 328.213 3.943 10 0 EHAERN NC(=S)Cc1ccc(OCc2ccc(Br)s2)cc1 ZINC000019477440 212030587 /nfs/dbraw/zinc/03/05/87/212030587.db2.gz GJAQGKRGJHDEIS-UHFFFAOYSA-N 0 0 342.283 3.918 10 0 EHAERN COc1ccc(C(=O)c2c[nH]c3ncc(Br)cc23)cc1 ZINC000090531377 217936068 /nfs/dbraw/zinc/93/60/68/217936068.db2.gz GVDXFZOHIFWWGR-UHFFFAOYSA-N 0 0 331.169 3.565 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2cc(C)ccc2C)n1C(=O)CC ZINC000011638082 211227737 /nfs/dbraw/zinc/22/77/37/211227737.db2.gz SSNGTUAYZMEDNE-ZCXUNETKSA-N 0 0 332.425 3.764 10 0 EHAERN O[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000095078255 218273687 /nfs/dbraw/zinc/27/36/87/218273687.db2.gz HKZMRSQXLYQIMF-INIZCTEOSA-N 0 0 341.842 3.699 10 0 EHAERN OC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000095078504 218273894 /nfs/dbraw/zinc/27/38/94/218273894.db2.gz YSHARLMNPMEWLF-KRWDZBQOSA-N 0 0 339.414 3.575 10 0 EHAERN C[C@@H](c1nccs1)N(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088777 218278738 /nfs/dbraw/zinc/27/87/38/218278738.db2.gz IHLBEKOURGUCGQ-KBPBESRZSA-N 0 0 339.505 3.926 10 0 EHAERN CCOC(=O)/C(=C/c1ccc(OC)c(OCCCOC)c1)C(C)C ZINC000095093293 218280649 /nfs/dbraw/zinc/28/06/49/218280649.db2.gz HONSAQSVZXOATB-FOWTUZBSSA-N 0 0 336.428 3.713 10 0 EHAERN O=C(Cn1c(Cc2cccs2)nc2ccccc21)N1CCCCC1 ZINC000008787031 211007916 /nfs/dbraw/zinc/00/79/16/211007916.db2.gz KXQHEGNRLPNTRV-UHFFFAOYSA-N 0 0 339.464 3.701 10 0 EHAERN Cc1c(CSc2cccc3ccccc32)cnc2nc(N)nc(N)c12 ZINC000005891537 210553845 /nfs/dbraw/zinc/55/38/45/210553845.db2.gz ZHWDUKIUIZWUMD-UHFFFAOYSA-N 0 0 347.447 3.943 10 0 EHAERN C[C@@H](NC(=O)NCCOCC(F)(F)F)c1ccc2ccccc2c1 ZINC000097357654 219014947 /nfs/dbraw/zinc/01/49/47/219014947.db2.gz JGJLOKQIIXWVJG-GFCCVEGCSA-N 0 0 340.345 3.779 10 0 EHAERN COc1ccc(CSc2nnc([C@@H](N)Cc3ccccc3)o2)cc1 ZINC000040173798 258003459 /nfs/dbraw/zinc/00/34/59/258003459.db2.gz JDLDKYWTLQMKEG-INIZCTEOSA-N 0 0 341.436 3.613 10 0 EHAERN Cc1noc(C)c1CCc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299751274 258007174 /nfs/dbraw/zinc/00/71/74/258007174.db2.gz QDOBQAZAUWZDQB-FUHWJXTLSA-N 0 0 339.395 3.705 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@H]2OCCc3ccccc32)o1 ZINC000299739021 258010375 /nfs/dbraw/zinc/01/03/75/258010375.db2.gz JPVIKQBTHVOQIC-JYJNAYRXSA-N 0 0 328.412 3.650 10 0 EHAERN Cc1ccc(NC[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000057340616 525280739 /nfs/dbraw/zinc/28/07/39/525280739.db2.gz ICSWLSOUMSNHAB-AWEZNQCLSA-N 0 0 349.356 3.837 10 0 EHAERN O=C(CCC(=O)c1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 ZINC000031578615 526385629 /nfs/dbraw/zinc/38/56/29/526385629.db2.gz AHPKZQWTGPMEOE-INIZCTEOSA-N 0 0 343.810 3.943 10 0 EHAERN COc1ccc2nc(NC(=O)C(Cl)(Cl)Cl)sc2c1 ZINC000000039972 563212683 /nfs/dbraw/zinc/21/26/83/563212683.db2.gz NAUYOAIHUMXBPD-UHFFFAOYSA-N 0 0 325.604 3.614 10 0 EHAERN CN(C)c1cccc2c1c(NC(=O)c1ccc(Cl)cc1)nn2C ZINC000000153583 563247122 /nfs/dbraw/zinc/24/71/22/563247122.db2.gz PGRZHZNLOAVKIM-UHFFFAOYSA-N 0 0 328.803 3.545 10 0 EHAERN O=C(c1cn2c(n1)CC[C@@H](c1cc(F)ccc1F)C2)N1CCCCC1 ZINC000034898888 563483303 /nfs/dbraw/zinc/48/33/03/563483303.db2.gz XXKGEEXDROHINT-CYBMUJFWSA-N 0 0 345.393 3.517 10 0 EHAERN CN1c2cc(Cl)ccc2OC[C@@H]1CC(=O)NC1CCCCCC1 ZINC000064663648 563662249 /nfs/dbraw/zinc/66/22/49/563662249.db2.gz BFTNAYCHPNZXKZ-HNNXBMFYSA-N 0 0 336.863 3.766 10 0 EHAERN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(C)sc1C ZINC000000122325 563802784 /nfs/dbraw/zinc/80/27/84/563802784.db2.gz QFBYVELELOUGOQ-QGZVFWFLSA-N 0 0 345.464 3.896 10 0 EHAERN Cc1cc(Br)ccc1N1CCC[C@H](C(=O)C(C)C)C1=O ZINC000536951603 564091735 /nfs/dbraw/zinc/09/17/35/564091735.db2.gz XBJAENFGJQRMSU-CYBMUJFWSA-N 0 0 338.245 3.726 10 0 EHAERN CC(C)CC(=O)N(Cc1nccn1Cc1ccccc1F)CC1CC1 ZINC000006689147 564095880 /nfs/dbraw/zinc/09/58/80/564095880.db2.gz XSUDVSJVXGXQFV-UHFFFAOYSA-N 0 0 343.446 3.855 10 0 EHAERN CC(C)c1nc(CN2CCC[C@H](Nc3ccc(N)nc3)CC2)cs1 ZINC000328626904 564137019 /nfs/dbraw/zinc/13/70/19/564137019.db2.gz FPGQGCJYLLBUSX-AWEZNQCLSA-N 0 0 345.516 3.541 10 0 EHAERN CC(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685962202 564177249 /nfs/dbraw/zinc/17/72/49/564177249.db2.gz XYUOZSRDGPXCCM-HOCLYGCPSA-N 0 0 335.444 3.710 10 0 EHAERN C[C@H](C(=O)[O-])[N@H+](Cc1cccc(Cl)c1Br)C1CC1 ZINC000719434011 955167747 /nfs/dbraw/zinc/16/77/47/955167747.db2.gz NGDINIURXMBIEP-MRVPVSSYSA-N 0 0 332.625 3.540 10 0 EHAERN CC/C=C(/C)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000588562166 1028421609 /nfs/dbraw/zinc/42/16/09/1028421609.db2.gz MYXKPUYLLQMKQU-SDKXAQGSSA-N 0 0 326.234 3.991 10 0 EHAERN C[C@@H](C[NH2+]Cc1ccc(C(=O)[O-])cc1Br)CC(F)F ZINC000697669089 976857911 /nfs/dbraw/zinc/85/79/11/976857911.db2.gz DOJFDOWWWCHNRA-MRVPVSSYSA-N 0 0 336.176 3.528 10 0 EHAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c(C)n1C1CC1 ZINC000080508502 1032139960 /nfs/dbraw/zinc/13/99/60/1032139960.db2.gz RCFOXZKUQJKQMY-QZTJIDSGSA-N 0 0 326.444 3.550 10 0 EHAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000408001815 1016842331 /nfs/dbraw/zinc/84/23/31/1016842331.db2.gz BUOUXJZVCQDTOG-YPMHNXCESA-N 0 0 327.211 3.508 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cccc4[nH]ccc43)CC2)n1 ZINC000080639279 1032223143 /nfs/dbraw/zinc/22/31/43/1032223143.db2.gz VSSGXJJYJYEREW-UHFFFAOYSA-N 0 0 325.437 3.953 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3ccc(O)cc3)C2)cc1 ZINC000183918077 1032242579 /nfs/dbraw/zinc/24/25/79/1032242579.db2.gz CHICFXSXDYOWKB-CRAIPNDOSA-N 0 0 339.435 3.738 10 0 EHAERN CCC[C@H](C)CC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185520742 1032438540 /nfs/dbraw/zinc/43/85/40/1032438540.db2.gz XGUNVPWYMIHCQZ-UGSOOPFHSA-N 0 0 334.435 3.562 10 0 EHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000081556536 1032577957 /nfs/dbraw/zinc/57/79/57/1032577957.db2.gz JOAUULAYIFQEGU-HZPDHXFCSA-N 0 0 329.831 3.778 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)c1 ZINC000081642506 1032615119 /nfs/dbraw/zinc/61/51/19/1032615119.db2.gz SKYHKKVDSCCGKI-LBPRGKRZSA-N 0 0 347.361 3.612 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)c1 ZINC000081640833 1032615785 /nfs/dbraw/zinc/61/57/85/1032615785.db2.gz UZEUEQJXRMNDAO-CYBMUJFWSA-N 0 0 347.361 3.612 10 0 EHAERN CCc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1CC ZINC000182759001 1017172469 /nfs/dbraw/zinc/17/24/69/1017172469.db2.gz PRLFTABNZAKNNO-FXAWDEMLSA-N 0 0 330.472 3.970 10 0 EHAERN CCc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1CC ZINC000182758979 1017172488 /nfs/dbraw/zinc/17/24/88/1017172488.db2.gz PRLFTABNZAKNNO-XLIONFOSSA-N 0 0 330.472 3.970 10 0 EHAERN C[C@@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)c1cccs1 ZINC000176421035 1017368883 /nfs/dbraw/zinc/36/88/83/1017368883.db2.gz WQQLFVHLDXSYFB-KGLIPLIRSA-N 0 0 344.484 3.533 10 0 EHAERN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(N2CCCNC2=O)c1 ZINC000176665939 1017436826 /nfs/dbraw/zinc/43/68/26/1017436826.db2.gz XBEZYVVJGLPAMT-WMLDXEAASA-N 0 0 343.471 3.551 10 0 EHAERN Cc1c(C(=O)N[C@H]2CCCc3cc(F)ccc32)[nH]c2c1C(=O)CCC2 ZINC000408055227 1018493192 /nfs/dbraw/zinc/49/31/92/1018493192.db2.gz XBRWSFMIGNZWCS-HNNXBMFYSA-N 0 0 340.398 3.789 10 0 EHAERN Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333208568 1018841708 /nfs/dbraw/zinc/84/17/08/1018841708.db2.gz PCRGKGGAKGDHSK-HNAYVOBHSA-N 0 0 327.428 3.635 10 0 EHAERN CNc1ccc(Cl)c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000408465789 1019082878 /nfs/dbraw/zinc/08/28/78/1019082878.db2.gz HUHWKHAALPOELY-KBRIMQKVSA-N 0 0 336.863 3.537 10 0 EHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000283827870 1019314289 /nfs/dbraw/zinc/31/42/89/1019314289.db2.gz ZJIMZGBSUZUZIO-YJYMSZOUSA-N 0 0 344.842 3.655 10 0 EHAERN CC1(C)Cc2cc(NC(=O)[C@@]34CC[C@@H](CC3=O)C4(C)C)ccc2O1 ZINC000333517051 1019826139 /nfs/dbraw/zinc/82/61/39/1019826139.db2.gz GGKUUFSXPUOACW-RNODOKPDSA-N 0 0 327.424 3.734 10 0 EHAERN COC1(CNC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)CCC1 ZINC000588410725 1020861061 /nfs/dbraw/zinc/86/10/61/1020861061.db2.gz KBNIOQYPYNTEGS-FPLPWBNLSA-N 0 0 330.815 3.587 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1COCc2ccccc21 ZINC000333928323 1021504237 /nfs/dbraw/zinc/50/42/37/1021504237.db2.gz XGBYJIIZHWHOJM-UMVBOHGHSA-N 0 0 342.361 3.678 10 0 EHAERN COC(=O)/C=C\c1ccc(OC(=O)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000588426013 1021552791 /nfs/dbraw/zinc/55/27/91/1021552791.db2.gz SHXLLJHFSAAEOT-HCYCVZQXSA-N 0 0 340.375 3.591 10 0 EHAERN C[C@@H](NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1csnn1 ZINC000334057083 1021934989 /nfs/dbraw/zinc/93/49/89/1021934989.db2.gz VXMNDMLIARKYLT-JGLRWDLQSA-N 0 0 334.489 3.503 10 0 EHAERN O=C(c1csc(-c2cccs2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128044631 1022408212 /nfs/dbraw/zinc/40/82/12/1022408212.db2.gz FQTOOYPTKYYPQW-YVEFUNNKSA-N 0 0 348.493 3.639 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cc3ccccc3o2)[nH]1 ZINC000328668984 1022457776 /nfs/dbraw/zinc/45/77/76/1022457776.db2.gz DXNZYERECKSMIE-WFASDCNBSA-N 0 0 338.411 3.717 10 0 EHAERN CCOC(=O)[C@H](CNC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000101735084 1022687665 /nfs/dbraw/zinc/68/76/65/1022687665.db2.gz OEMLYNYOLBWIHW-KRWDZBQOSA-N 0 0 340.423 3.539 10 0 EHAERN CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CCCc3c(O)cccc32)n1 ZINC000190224206 1023263392 /nfs/dbraw/zinc/26/33/92/1023263392.db2.gz LLDAODMWONFVNO-CQSZACIVSA-N 0 0 345.830 3.766 10 0 EHAERN CCc1c(C(=O)N[C@H]2CCCc3c(O)cccc32)[nH]c(C)c1C(C)=O ZINC000190282855 1023280138 /nfs/dbraw/zinc/28/01/38/1023280138.db2.gz CNWQTVOWOHUNOV-INIZCTEOSA-N 0 0 340.423 3.601 10 0 EHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ncc(F)cc1F ZINC000190404683 1023285450 /nfs/dbraw/zinc/28/54/50/1023285450.db2.gz SNANVWNWHZBAGV-OAHLLOKOSA-N 0 0 344.361 3.926 10 0 EHAERN CC[C@@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)c1cccs1 ZINC000190602214 1023954023 /nfs/dbraw/zinc/95/40/23/1023954023.db2.gz PYCINCPUYSBDBR-CHWSQXEVSA-N 0 0 347.488 3.701 10 0 EHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000180845366 1023963847 /nfs/dbraw/zinc/96/38/47/1023963847.db2.gz DZJCFBUKEUNHOU-KSSFIOAISA-N 0 0 340.471 3.836 10 0 EHAERN Cc1csc2c1ncnc2N1CCCC[C@@H]1c1nnc(C(C)C)[nH]1 ZINC000329699138 1024087512 /nfs/dbraw/zinc/08/75/12/1024087512.db2.gz ZARSUZKDHZBWBY-GFCCVEGCSA-N 0 0 342.472 3.973 10 0 EHAERN Cc1c(C(=O)N(C)[C@H](C)c2cnn(C)c2)oc2c1c(C)ccc2C ZINC000182641976 1024116094 /nfs/dbraw/zinc/11/60/94/1024116094.db2.gz UBFGBCOBVVLYEP-CQSZACIVSA-N 0 0 325.412 3.925 10 0 EHAERN CC(C)C[C@H]1CCCCN1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000153698519 1024239805 /nfs/dbraw/zinc/23/98/05/1024239805.db2.gz ZBZIURDFHXPFPP-HZPDHXFCSA-N 0 0 347.507 3.847 10 0 EHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000329910681 1024247080 /nfs/dbraw/zinc/24/70/80/1024247080.db2.gz ACJKAUXSBSLZPT-QAPCUYQASA-N 0 0 330.428 3.508 10 0 EHAERN Cc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1F ZINC000101737664 1024362773 /nfs/dbraw/zinc/36/27/73/1024362773.db2.gz RNBJWIIVCVMILT-CQSZACIVSA-N 0 0 349.450 3.539 10 0 EHAERN Cc1cccc(NC2CCN(C(=O)N[C@H](C)c3nccs3)CC2)c1 ZINC000119995641 1024448519 /nfs/dbraw/zinc/44/85/19/1024448519.db2.gz SHONMUZJBGJJGE-CQSZACIVSA-N 0 0 344.484 3.799 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc4cccnc43)CCO2)o1 ZINC000165818979 1024492330 /nfs/dbraw/zinc/49/23/30/1024492330.db2.gz VCURDCKIGTUJLI-KRWDZBQOSA-N 0 0 337.379 3.742 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@H](C)c3ccc(F)cc3F)CCO2)o1 ZINC000151725118 1024500360 /nfs/dbraw/zinc/50/03/60/1024500360.db2.gz GZHZFGOMSLHVCO-SGTLLEGYSA-N 0 0 349.377 3.960 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000186239956 1024701178 /nfs/dbraw/zinc/70/11/78/1024701178.db2.gz OLSDXPSCUNQCTQ-LJQANCHMSA-N 0 0 336.435 3.696 10 0 EHAERN CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000333682957 1024819352 /nfs/dbraw/zinc/81/93/52/1024819352.db2.gz PRKNQMUJGIHXKD-INIZCTEOSA-N 0 0 349.434 3.969 10 0 EHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000280865532 1025121270 /nfs/dbraw/zinc/12/12/70/1025121270.db2.gz ACWXXXACHAMCDS-MTQWCTHYSA-N 0 0 342.483 3.789 10 0 EHAERN CC(C)(O)c1ccc(CNC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000588500631 1025257614 /nfs/dbraw/zinc/25/76/14/1025257614.db2.gz QGEOGJZYRSRTNG-XFXZXTDPSA-N 0 0 329.827 3.897 10 0 EHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121544538 1025498309 /nfs/dbraw/zinc/49/83/09/1025498309.db2.gz CTZMUYLOHFTQPX-ZLIFDBKOSA-N 0 0 338.407 3.609 10 0 EHAERN CCc1csc([C@@H]2CCCN(C(=O)N[C@@H](C)c3ccncc3)C2)n1 ZINC000113579702 1025648370 /nfs/dbraw/zinc/64/83/70/1025648370.db2.gz OBJKSANWYXCVCR-DZGCQCFKSA-N 0 0 344.484 3.751 10 0 EHAERN O=C(NCc1cccc(OCC(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccco1 ZINC000121742018 1025746680 /nfs/dbraw/zinc/74/66/80/1025746680.db2.gz CDTSGBSTMHNHEE-UONOGXRCSA-N 0 0 339.313 3.641 10 0 EHAERN COCc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)OC)o1 ZINC000103435994 1026084575 /nfs/dbraw/zinc/08/45/75/1026084575.db2.gz LDSUBTDSWDDKHL-UHFFFAOYSA-N 0 0 331.368 3.588 10 0 EHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(F)c(C)c1 ZINC000103432896 1026085349 /nfs/dbraw/zinc/08/53/49/1026085349.db2.gz BMZLMKDGVYUWCR-KRWDZBQOSA-N 0 0 327.399 3.990 10 0 EHAERN Cc1cccc([C@@H]2CCCN2C(=O)CCc2nc3c(cccc3C)[nH]2)n1 ZINC000167052163 1026112876 /nfs/dbraw/zinc/11/28/76/1026112876.db2.gz QOLJFVRTWPRYRT-SFHVURJKSA-N 0 0 348.450 3.871 10 0 EHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(C)cc1C ZINC000103858789 1026115632 /nfs/dbraw/zinc/11/56/32/1026115632.db2.gz YPDKYSIVAKQUAL-UHFFFAOYSA-N 0 0 326.440 3.696 10 0 EHAERN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c(OC[C@H]2CCCO2)c1 ZINC000122071872 1026173269 /nfs/dbraw/zinc/17/32/69/1026173269.db2.gz HJXZHLCKRYHGJP-OWCLPIDISA-N 0 0 341.407 3.888 10 0 EHAERN CCCCC[C@@H](C)NC(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000119947026 1026680094 /nfs/dbraw/zinc/68/00/94/1026680094.db2.gz AGDITWYETKTCNI-WBMJQRKESA-N 0 0 348.422 3.875 10 0 EHAERN C[C@H](NC(=O)/C=C/c1cccc2cccnc12)[C@@H]1COc2ccccc21 ZINC000152757543 1026688637 /nfs/dbraw/zinc/68/86/37/1026688637.db2.gz MRGNPGKYRTYYSD-BSODZPPDSA-N 0 0 344.414 3.929 10 0 EHAERN C[C@@](O)(CCNC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000588531564 1026707453 /nfs/dbraw/zinc/70/74/53/1026707453.db2.gz KPEPUAUYVUELRK-LQOHYYORSA-N 0 0 327.399 3.643 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CN(C)[C@@H](C)c2ccco2)cc1 ZINC000122913395 1026858130 /nfs/dbraw/zinc/85/81/30/1026858130.db2.gz JURORNODCUAOBQ-MAUKXSAKSA-N 0 0 342.439 3.645 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4c(c3)CCC4)CCO2)o1 ZINC000153045965 1026971861 /nfs/dbraw/zinc/97/18/61/1026971861.db2.gz YTAOPJVLJSUHEE-GOSISDBHSA-N 0 0 326.396 3.682 10 0 EHAERN O=C(CCCc1nc(C2CC2)no1)N1CC=C(c2cccs2)CC1 ZINC000123254965 1027076915 /nfs/dbraw/zinc/07/69/15/1027076915.db2.gz AZLBHQIHCZNMKX-UHFFFAOYSA-N 0 0 343.452 3.647 10 0 EHAERN Cc1csc(NC2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)n1 ZINC000302227611 1027098321 /nfs/dbraw/zinc/09/83/21/1027098321.db2.gz ABUNZRJPLSAJKF-UHFFFAOYSA-N 0 0 349.891 3.853 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3cccc4cccnc34)CCO2)o1 ZINC000127384380 1027300334 /nfs/dbraw/zinc/30/03/34/1027300334.db2.gz QOGXVQNHDDQNSZ-LHUXKHBRSA-N 0 0 348.402 3.750 10 0 EHAERN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000123435915 1027306478 /nfs/dbraw/zinc/30/64/78/1027306478.db2.gz QUDGPGRVXNPWJU-NEPJUHHUSA-N 0 0 342.374 3.691 10 0 EHAERN CC(C)Cn1cnnc1[C@H]1CCCN1c1nc2ccccc2s1 ZINC000078022046 1027484412 /nfs/dbraw/zinc/48/44/12/1027484412.db2.gz OLMALCMPHXWFFG-CQSZACIVSA-N 0 0 327.457 3.885 10 0 EHAERN C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)[C@H]1COc2ccccc21 ZINC000129324624 1027543642 /nfs/dbraw/zinc/54/36/42/1027543642.db2.gz GEMBAFLNLMZNNC-PSASIEDQSA-N 0 0 325.195 3.616 10 0 EHAERN Cc1c(NC(=O)[C@]2(C)CC2(Cl)Cl)cnn1-c1ccccc1F ZINC000129742741 1027597703 /nfs/dbraw/zinc/59/77/03/1027597703.db2.gz HSFJAEREYRJAHI-AWEZNQCLSA-N 0 0 342.201 3.842 10 0 EHAERN CC(C)(CNC(=O)N1CC=C(c2ccccc2)CC1)c1ccncc1 ZINC000130309637 1027657434 /nfs/dbraw/zinc/65/74/34/1027657434.db2.gz IXEAWPMCZHACIB-UHFFFAOYSA-N 0 0 335.451 3.858 10 0 EHAERN C[C@H](CNC(=O)N1CC=C(c2ccccc2F)CC1)c1nccs1 ZINC000130681147 1027692711 /nfs/dbraw/zinc/69/27/11/1027692711.db2.gz PTKSKUMUBCQWLW-CYBMUJFWSA-N 0 0 345.443 3.885 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000246128774 1027790367 /nfs/dbraw/zinc/79/03/67/1027790367.db2.gz QGXZGEGMDMZGCW-WKPIXPDZSA-N 0 0 337.297 3.793 10 0 EHAERN CC[C@H](CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(OC)cc1 ZINC000246183568 1027902345 /nfs/dbraw/zinc/90/23/45/1027902345.db2.gz SQKIZBMFHHDDKN-JRJVTICQSA-N 0 0 343.467 3.653 10 0 EHAERN COc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)c(C)c1 ZINC000133107661 1028000154 /nfs/dbraw/zinc/00/01/54/1028000154.db2.gz UGRQNJZVUJQORK-UHFFFAOYSA-N 0 0 345.468 3.856 10 0 EHAERN CCCCCC[C@H](C)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246232064 1028041647 /nfs/dbraw/zinc/04/16/47/1028041647.db2.gz UFPBWYQWWQMINL-ROUUACIJSA-N 0 0 338.536 3.695 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)CCc3ccccc3F)CCO2)o1 ZINC000133658802 1028052985 /nfs/dbraw/zinc/05/29/85/1028052985.db2.gz YQUNRQFVTPEGNB-AUUYWEPGSA-N 0 0 345.414 3.896 10 0 EHAERN COc1ccc(/C(C)=C/C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000133820835 1028069548 /nfs/dbraw/zinc/06/95/48/1028069548.db2.gz RGXOAWDLGXYFHK-XYDKVEKUSA-N 0 0 341.407 3.600 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(OCC4CC4)cc3)CCO2)o1 ZINC000133899296 1028079889 /nfs/dbraw/zinc/07/98/89/1028079889.db2.gz QTAUXMZAKTZIPZ-IBGZPJMESA-N 0 0 341.407 3.591 10 0 EHAERN CC(C)c1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000136959793 1028281221 /nfs/dbraw/zinc/28/12/21/1028281221.db2.gz HOABRNCIXOUPEN-GOSISDBHSA-N 0 0 325.412 3.890 10 0 EHAERN O=C(Nc1cc(Cl)ccc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000136956643 1028281687 /nfs/dbraw/zinc/28/16/87/1028281687.db2.gz FJEMEEHYXLWTFJ-ZDUSSCGKSA-N 0 0 335.766 3.559 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000137101196 1028292521 /nfs/dbraw/zinc/29/25/21/1028292521.db2.gz OTNSUZWFNHLDQX-GOSISDBHSA-N 0 0 341.411 3.554 10 0 EHAERN Cc1nnc([C@@H](NC(=O)[C@H]2CCCCC2(C)C)c2ccccc2)[nH]1 ZINC000194011366 1028483411 /nfs/dbraw/zinc/48/34/11/1028483411.db2.gz LDHJAVHTOLKCSP-CVEARBPZSA-N 0 0 326.444 3.535 10 0 EHAERN O=C([C@@H]1CCCc2cccnc21)N1CCCc2c(F)ccc(F)c21 ZINC000194698184 1028540989 /nfs/dbraw/zinc/54/09/89/1028540989.db2.gz SWZYTJQXQFPZMW-CQSZACIVSA-N 0 0 328.362 3.759 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000588564717 1028542721 /nfs/dbraw/zinc/54/27/21/1028542721.db2.gz PYZZBHYJYGQFDH-FPLPWBNLSA-N 0 0 338.798 3.881 10 0 EHAERN O=C([C@H]1CCCc2cccnc21)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000194892243 1028556556 /nfs/dbraw/zinc/55/65/56/1028556556.db2.gz QPTZXTFRCAMJJY-HOCLYGCPSA-N 0 0 332.403 3.608 10 0 EHAERN C[C@@H](c1ccco1)N(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000195059586 1028573258 /nfs/dbraw/zinc/57/32/58/1028573258.db2.gz ZDGUOOZGBJKMFW-LSDHHAIUSA-N 0 0 327.428 3.606 10 0 EHAERN O=C(CN1CCC[C@H](c2nccs2)C1)Nc1cccc(Cl)c1 ZINC000195352500 1028636056 /nfs/dbraw/zinc/63/60/56/1028636056.db2.gz PCOASXJDWIPDGI-LBPRGKRZSA-N 0 0 335.860 3.615 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN([C@@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000246502793 1028639099 /nfs/dbraw/zinc/63/90/99/1028639099.db2.gz PZSAXVRASVXKHF-GXTWGEPZSA-N 0 0 343.427 3.515 10 0 EHAERN Cc1nc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@H]2c2ccco2)s1 ZINC000246510506 1028642084 /nfs/dbraw/zinc/64/20/84/1028642084.db2.gz NTJCQCHGRAJNCA-GWCFXTLKSA-N 0 0 340.470 3.515 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CN(C)[C@@H](C)c2ccco2)cc1 ZINC000195732378 1028647811 /nfs/dbraw/zinc/64/78/11/1028647811.db2.gz JURORNODCUAOBQ-YJBOKZPZSA-N 0 0 342.439 3.645 10 0 EHAERN Cc1ccc(CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)s1 ZINC000246891229 1028707770 /nfs/dbraw/zinc/70/77/70/1028707770.db2.gz RGXMGJAPPLSWFN-ARFHVFGLSA-N 0 0 334.485 3.546 10 0 EHAERN CCOC(=O)C1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000075616740 1028724344 /nfs/dbraw/zinc/72/43/44/1028724344.db2.gz JRNCVNCVZUIEIJ-UHFFFAOYSA-N 0 0 348.830 3.770 10 0 EHAERN CCN(Cc1cccs1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247018409 1028727074 /nfs/dbraw/zinc/72/70/74/1028727074.db2.gz RCDHRDYFBMMLCJ-KZNAEPCWSA-N 0 0 326.465 3.866 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)CCO2)o1 ZINC000247065074 1028738967 /nfs/dbraw/zinc/73/89/67/1028738967.db2.gz VPFMLGDFUJRIAF-XNJGSVPQSA-N 0 0 347.361 3.570 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247338101 1028779082 /nfs/dbraw/zinc/77/90/82/1028779082.db2.gz HKZKQCHVNCYFHN-NJDAHSKKSA-N 0 0 349.478 3.632 10 0 EHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000245537966 1028782105 /nfs/dbraw/zinc/78/21/05/1028782105.db2.gz ZUQORBXVOYQPNY-IYARVYRRSA-N 0 0 331.504 3.664 10 0 EHAERN CCOc1ccc(OCC)c(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000247635733 1028806341 /nfs/dbraw/zinc/80/63/41/1028806341.db2.gz VDNBXJWKBPNKNG-ZMSDIMECSA-N 0 0 348.443 3.563 10 0 EHAERN CSc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248121434 1028849193 /nfs/dbraw/zinc/84/91/93/1028849193.db2.gz UJRHISFMDLUENJ-SJLPKXTDSA-N 0 0 326.465 3.584 10 0 EHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000248465276 1028913692 /nfs/dbraw/zinc/91/36/92/1028913692.db2.gz CJHRNWKHTYVRFP-BZSNNMDCSA-N 0 0 335.875 3.904 10 0 EHAERN CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248645935 1028932897 /nfs/dbraw/zinc/93/28/97/1028932897.db2.gz OVPAJOFDDBYHBR-WTANOLMUSA-N 0 0 346.446 3.562 10 0 EHAERN O=C(Nc1ccsc1Cl)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000248952296 1028969407 /nfs/dbraw/zinc/96/94/07/1028969407.db2.gz AFDAGNXCZSYODW-MVWJERBFSA-N 0 0 326.849 3.871 10 0 EHAERN Cc1nc(C(C)(C)NC(=O)[C@H]2Oc3ccccc3[C@H]2C)sc1C ZINC000076476011 1028990503 /nfs/dbraw/zinc/99/05/03/1028990503.db2.gz LQYLBWSKBBDISR-BMIGLBTASA-N 0 0 330.453 3.676 10 0 EHAERN Cc1coc2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc12 ZINC000249460187 1029004388 /nfs/dbraw/zinc/00/43/88/1029004388.db2.gz QOIHDIPNFCHZGD-IAOVAPTHSA-N 0 0 326.396 3.820 10 0 EHAERN CC(C)c1nc([C@@H]2CCCN2C[C@@H](O)c2ccccc2Cl)no1 ZINC000249898509 1029030868 /nfs/dbraw/zinc/03/08/68/1029030868.db2.gz SFVOEQAMLIJDOS-LSDHHAIUSA-N 0 0 335.835 3.717 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@]3(C)CC3(Cl)Cl)C2)cc1 ZINC000078188353 1029239200 /nfs/dbraw/zinc/23/92/00/1029239200.db2.gz VTTVASJHAVPGHQ-GHJWDPDVSA-N 0 0 342.266 3.984 10 0 EHAERN C[C@]1(C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1(Cl)Cl ZINC000078349610 1029276179 /nfs/dbraw/zinc/27/61/79/1029276179.db2.gz NKBZTURUSRAZSH-GOEBONIOSA-N 0 0 335.234 3.871 10 0 EHAERN C[C@H](C(=O)N1CCc2cc(-c3ccccc3)oc2C1)C1CCOCC1 ZINC000154755561 1029306716 /nfs/dbraw/zinc/30/67/16/1029306716.db2.gz OYAGKKNFQQZWLF-HNNXBMFYSA-N 0 0 339.435 3.894 10 0 EHAERN C[C@@H]1CCN(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)[C@@H](c2ccco2)C1 ZINC000282053476 1029378712 /nfs/dbraw/zinc/37/87/12/1029378712.db2.gz AXKVFTJZZQKKEJ-WBTNSWJXSA-N 0 0 334.460 3.966 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1 ZINC000245906806 1029459269 /nfs/dbraw/zinc/45/92/69/1029459269.db2.gz IGNJHDQHPQVHNC-BBWFWOEESA-N 0 0 329.831 3.541 10 0 EHAERN COCCOc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000245921468 1029475509 /nfs/dbraw/zinc/47/55/09/1029475509.db2.gz QSSNDTLCDUAOAY-BMGDILEWSA-N 0 0 335.419 3.611 10 0 EHAERN CCCC(CCC)C(=O)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000044453869 1029505232 /nfs/dbraw/zinc/50/52/32/1029505232.db2.gz SKSSANMQCSYDGP-UHFFFAOYSA-N 0 0 337.489 3.537 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H](c3ccccc3)C3CC3)CC2)n1 ZINC000155481569 1029552684 /nfs/dbraw/zinc/55/26/84/1029552684.db2.gz AIXNORAPMQKBJW-OAQYLSRUSA-N 0 0 349.478 3.669 10 0 EHAERN Cc1cc(C)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c(C)c1 ZINC000156394174 1029826578 /nfs/dbraw/zinc/82/65/78/1029826578.db2.gz JFXSRVPQWHTFQM-UHFFFAOYSA-N 0 0 340.471 3.832 10 0 EHAERN O=C(NCc1cccc(Cl)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114818532 1029844371 /nfs/dbraw/zinc/84/43/71/1029844371.db2.gz RKYNJJFGFKTOKI-CYBMUJFWSA-N 0 0 335.860 3.886 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)n1 ZINC000092388503 1030444372 /nfs/dbraw/zinc/44/43/72/1030444372.db2.gz OMQFPPDHHOHXSO-UHFFFAOYSA-N 0 0 332.473 3.557 10 0 EHAERN C[C@H]1C[C@H]1c1ccc(CN2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385846 1030597798 /nfs/dbraw/zinc/59/77/98/1030597798.db2.gz HRSKNTIBDTZNRS-GOEBONIOSA-N 0 0 344.480 3.813 10 0 EHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Oc1ccc([C@H]2CCOC2)cc1 ZINC000588581957 1030640924 /nfs/dbraw/zinc/64/09/24/1030640924.db2.gz UKMBXRTWZUCRCB-DMIOIOJGSA-N 0 0 348.395 3.709 10 0 EHAERN COc1cccc([C@H](C)C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000171220756 1030747620 /nfs/dbraw/zinc/74/76/20/1030747620.db2.gz QHJXEWQHQUSPSQ-AWEZNQCLSA-N 0 0 344.480 3.970 10 0 EHAERN Cc1csc(C2CCN(C(=O)c3cnn(C(C)(C)C)c3C)CC2)n1 ZINC000171221161 1030748622 /nfs/dbraw/zinc/74/86/22/1030748622.db2.gz AMWPCRHSRYZRPW-UHFFFAOYSA-N 0 0 346.500 3.731 10 0 EHAERN O=C(CSC[C@H]1CCCCO1)N1CC=C(c2ccccc2)CC1 ZINC000171350097 1030756465 /nfs/dbraw/zinc/75/64/65/1030756465.db2.gz GTRBYXCGLBROMI-GOSISDBHSA-N 0 0 331.481 3.605 10 0 EHAERN C[C@H](Cc1cccs1)NC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171901173 1030808247 /nfs/dbraw/zinc/80/82/47/1030808247.db2.gz HHVBSYKESOCNJP-OAHLLOKOSA-N 0 0 343.496 3.738 10 0 EHAERN C[C@@H](Cc1ccccc1F)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172350224 1030868224 /nfs/dbraw/zinc/86/82/24/1030868224.db2.gz LJPZYWVKRVYORB-INIZCTEOSA-N 0 0 340.442 3.881 10 0 EHAERN O=C(Nc1nc2c(s1)COCC2)N1CC=C(c2ccccc2)CC1 ZINC000172262027 1030878023 /nfs/dbraw/zinc/87/80/23/1030878023.db2.gz PGFYOHPZHUKWIV-UHFFFAOYSA-N 0 0 341.436 3.537 10 0 EHAERN C[C@]12CC3CC(C(=O)N4CCC[C@@H](c5nnc[nH]5)C4)(C1)C[C@@](C)(C3)C2 ZINC000364085295 1030920907 /nfs/dbraw/zinc/92/09/07/1030920907.db2.gz GUWGLEUDRQQVTC-SYQJFKEFSA-N 0 0 342.487 3.507 10 0 EHAERN O=C(c1cc2cc(F)ccc2oc1=O)N1CC[C@H](c2ccccc2)C1 ZINC000172909793 1031029727 /nfs/dbraw/zinc/02/97/27/1031029727.db2.gz VZAYSFUPOJLJPI-AWEZNQCLSA-N 0 0 337.350 3.562 10 0 EHAERN CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(N2CCNC2=O)c1C ZINC000173486368 1031095788 /nfs/dbraw/zinc/09/57/88/1031095788.db2.gz MXOUWWBVSSBCQF-NVXWUHKLSA-N 0 0 343.471 3.613 10 0 EHAERN COc1cccc(CCCNC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116428396 1031159480 /nfs/dbraw/zinc/15/94/80/1031159480.db2.gz XKCCMWIFUDTTAL-KRWDZBQOSA-N 0 0 328.412 3.768 10 0 EHAERN O=C(CCc1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174072340 1031161263 /nfs/dbraw/zinc/16/12/63/1031161263.db2.gz VZNGCNCJJJXGMW-UHFFFAOYSA-N 0 0 326.415 3.861 10 0 EHAERN Cc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1O ZINC000174140969 1031168138 /nfs/dbraw/zinc/16/81/38/1031168138.db2.gz GRVIYSAYQQTAQG-UHFFFAOYSA-N 0 0 328.387 3.556 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3cc(C)ccc3C)CC2)nc1 ZINC000174118472 1031169887 /nfs/dbraw/zinc/16/98/87/1031169887.db2.gz DZLWTFOOZXXNKP-UHFFFAOYSA-N 0 0 338.455 3.797 10 0 EHAERN COc1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174208879 1031176424 /nfs/dbraw/zinc/17/64/24/1031176424.db2.gz HJRYPCSHGQHOTQ-UHFFFAOYSA-N 0 0 343.402 3.943 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccncc1 ZINC000174815052 1031257553 /nfs/dbraw/zinc/25/75/53/1031257553.db2.gz JYQXOSKLUNOLGE-HOTGVXAUSA-N 0 0 341.480 3.966 10 0 EHAERN COC[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccco1 ZINC000175742238 1031371751 /nfs/dbraw/zinc/37/17/51/1031371751.db2.gz ZSCMJHXESOLFRN-CQSZACIVSA-N 0 0 332.425 3.528 10 0 EHAERN COCCCOc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000176274843 1031419722 /nfs/dbraw/zinc/41/97/22/1031419722.db2.gz SJMADNLVUPRMGR-LIRRHRJNSA-N 0 0 341.407 3.605 10 0 EHAERN Cc1ccc([C@@H]2CN([C@@H](C)c3nc(-c4ccccc4)no3)CCO2)o1 ZINC000158603187 1031492000 /nfs/dbraw/zinc/49/20/00/1031492000.db2.gz PGLXJDMALRRTCV-YOEHRIQHSA-N 0 0 339.395 3.773 10 0 EHAERN CC(C)CCOc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177736177 1031564369 /nfs/dbraw/zinc/56/43/69/1031564369.db2.gz WZUAOMVDBYDCPF-SFHVURJKSA-N 0 0 341.455 3.613 10 0 EHAERN O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1Cn1ccnc1 ZINC000177809991 1031573426 /nfs/dbraw/zinc/57/34/26/1031573426.db2.gz BOSPKZIVGBPTKV-FQEVSTJZSA-N 0 0 331.419 3.855 10 0 EHAERN CCC1(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)CCCC1 ZINC000177870085 1031632564 /nfs/dbraw/zinc/63/25/64/1031632564.db2.gz VNTFDCMYGOPKAD-UHFFFAOYSA-N 0 0 348.512 3.687 10 0 EHAERN Nc1cccc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000178579497 1031708128 /nfs/dbraw/zinc/70/81/28/1031708128.db2.gz QTQCLJWAGZRMNE-MRXNPFEDSA-N 0 0 332.856 3.853 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3nc(C)sc3C)C2)cc1 ZINC000178682997 1031716084 /nfs/dbraw/zinc/71/60/84/1031716084.db2.gz VIADOPOILAFLSC-ABAIWWIYSA-N 0 0 330.453 3.787 10 0 EHAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(CCC(F)(F)F)cc1 ZINC000179041152 1031726966 /nfs/dbraw/zinc/72/69/66/1031726966.db2.gz OGGTWJUVJWYLDT-SJORKVTESA-N 0 0 349.352 3.570 10 0 EHAERN Cc1cnc(CCN(C)C(=O)Nc2c[nH]nc2-c2ccccc2)s1 ZINC000179487493 1031777811 /nfs/dbraw/zinc/77/78/11/1031777811.db2.gz XRXUDAMTJZABRX-UHFFFAOYSA-N 0 0 341.440 3.548 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3nc4cc(Cl)ccc4n3C)CCO2)o1 ZINC000179505991 1031782263 /nfs/dbraw/zinc/78/22/63/1031782263.db2.gz JEDLZAFXWGWODK-QGZVFWFLSA-N 0 0 345.830 3.702 10 0 EHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000117646881 1031787897 /nfs/dbraw/zinc/78/78/97/1031787897.db2.gz WCDGRGBUPHKAHA-BFUOFWGJSA-N 0 0 340.398 3.929 10 0 EHAERN Cc1ccnc(-c2ccc(NC(=O)[C@H]3Oc4ccccc4[C@@H]3C)cc2)n1 ZINC000117673248 1031792740 /nfs/dbraw/zinc/79/27/40/1031792740.db2.gz XPIWOVHZNNBUNH-LIRRHRJNSA-N 0 0 345.402 3.955 10 0 EHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@H]1CCO[C@H]1C ZINC000179608306 1031792968 /nfs/dbraw/zinc/79/29/68/1031792968.db2.gz BFNXWYIIQUSNEL-HOCLYGCPSA-N 0 0 326.444 3.569 10 0 EHAERN Cc1nccc(-c2cccc(NC(=O)C[C@H](O)c3ccccc3)c2)n1 ZINC000179671227 1031798448 /nfs/dbraw/zinc/79/84/48/1031798448.db2.gz PIYKMOTXHLOGHH-IBGZPJMESA-N 0 0 333.391 3.514 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)Nc3c[nH]nc3-c3ccccc3)nc21 ZINC000179745248 1031807150 /nfs/dbraw/zinc/80/71/50/1031807150.db2.gz CFIFDOMLCUGYDG-UHFFFAOYSA-N 0 0 345.406 3.833 10 0 EHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)c1ccncc1 ZINC000117957415 1031984293 /nfs/dbraw/zinc/98/42/93/1031984293.db2.gz SUEDIBDAAUKZCT-DNVCBOLYSA-N 0 0 338.455 3.755 10 0 EHAERN CN(C)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000181927066 1032044013 /nfs/dbraw/zinc/04/40/13/1032044013.db2.gz KZZLPNXPBNONRK-UHFFFAOYSA-N 0 0 328.441 3.530 10 0 EHAERN COc1ccc([C@H]2CCN(C(=O)c3c(C)cc(C)nc3Cl)C2)cc1 ZINC000181893149 1032044206 /nfs/dbraw/zinc/04/42/06/1032044206.db2.gz LOQHMYBMTBBSIB-HNNXBMFYSA-N 0 0 344.842 3.990 10 0 EHAERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cc(Cl)ccn1 ZINC000101843177 1034277974 /nfs/dbraw/zinc/27/79/74/1034277974.db2.gz KXBQUOFRNMSVDV-UHFFFAOYSA-N 0 0 339.786 3.650 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2cccc(O)c2)cc1 ZINC000185693667 1035514223 /nfs/dbraw/zinc/51/42/23/1035514223.db2.gz UOJKFKYOBLSKKJ-SFHVURJKSA-N 0 0 343.448 3.857 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCO[C@H](c3cccs3)C2)cc1 ZINC000186470993 1035639687 /nfs/dbraw/zinc/63/96/87/1035639687.db2.gz RTGYACBNAAXXDZ-KRWDZBQOSA-N 0 0 345.464 3.678 10 0 EHAERN O=C(NCCC[C@@H]1CCCCO1)N1CC=C(c2cccs2)CC1 ZINC000186612450 1035672181 /nfs/dbraw/zinc/67/21/81/1035672181.db2.gz OEHNDOYIVKFWBN-INIZCTEOSA-N 0 0 334.485 3.896 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC(C)(C)c2ccncc2)cs1 ZINC000187746514 1035856791 /nfs/dbraw/zinc/85/67/91/1035856791.db2.gz QJWCVGDHOUPVCA-INIZCTEOSA-N 0 0 344.484 3.671 10 0 EHAERN CCCC1CCC(NC(=O)N2CCC(c3ccnn3C)CC2)CC1 ZINC000157555459 1035865338 /nfs/dbraw/zinc/86/53/38/1035865338.db2.gz PGVGTCQDNUOWLL-UHFFFAOYSA-N 0 0 332.492 3.668 10 0 EHAERN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000188262233 1035925008 /nfs/dbraw/zinc/92/50/08/1035925008.db2.gz IJHUDLOJCMMBKX-CYBMUJFWSA-N 0 0 341.361 3.861 10 0 EHAERN CC(C)c1nnc2n1CCN(Cc1cnc(C(C)(C)C)s1)[C@@H]2C ZINC000188460568 1035940273 /nfs/dbraw/zinc/94/02/73/1035940273.db2.gz OANRPXHSBMXQJC-GFCCVEGCSA-N 0 0 333.505 3.732 10 0 EHAERN CCc1nc([C@H](C)NC(=O)N[C@H]2CCCc3c(O)cccc32)cs1 ZINC000188839540 1035989559 /nfs/dbraw/zinc/98/95/59/1035989559.db2.gz YCMSTOCSFWSQMH-FZMZJTMJSA-N 0 0 345.468 3.849 10 0 EHAERN O=C(c1cc(N2CCCC2)ccn1)N1CC=C(c2cccs2)CC1 ZINC000189050207 1036007856 /nfs/dbraw/zinc/00/78/56/1036007856.db2.gz BRIZVZZVCCNOGE-UHFFFAOYSA-N 0 0 339.464 3.673 10 0 EHAERN c1c[nH]c([C@@H](N[C@@H](c2nccs2)c2ccccc2)c2ccncc2)n1 ZINC000189099588 1036015434 /nfs/dbraw/zinc/01/54/34/1036015434.db2.gz RSRNCPCGWHWIKQ-DLBZAZTESA-N 0 0 347.447 3.730 10 0 EHAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)Nc1ccsc1Cl ZINC000189355355 1036059182 /nfs/dbraw/zinc/05/91/82/1036059182.db2.gz SKGNVICMSADBFZ-SNVBAGLBSA-N 0 0 330.837 3.599 10 0 EHAERN Cc1nc([C@@H]2CCCN2CC(=O)N2CCCc3ccccc32)cs1 ZINC000189791728 1036128847 /nfs/dbraw/zinc/12/88/47/1036128847.db2.gz ITOZQILQLJQASE-SFHVURJKSA-N 0 0 341.480 3.568 10 0 EHAERN CCC[C@H]1C[C@H](C(=O)N2CC3(CCOCC3)c3ccccc32)CCO1 ZINC000189832916 1036153656 /nfs/dbraw/zinc/15/36/56/1036153656.db2.gz MWRAGKYBPWANPZ-SJORKVTESA-N 0 0 343.467 3.677 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2csc3ccccc23)C1 ZINC000190106089 1036193744 /nfs/dbraw/zinc/19/37/44/1036193744.db2.gz BBPFUVJGJCLXEQ-UKRRQHHQSA-N 0 0 329.425 3.555 10 0 EHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCC[C@@H]2CCCO2)cc1 ZINC000190140760 1036195760 /nfs/dbraw/zinc/19/57/60/1036195760.db2.gz LVRKFSSLRNLVDQ-ROUUACIJSA-N 0 0 349.496 3.661 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000248869281 1036200448 /nfs/dbraw/zinc/20/04/48/1036200448.db2.gz COXCMMRBGAYVKG-HDMKZQKVSA-N 0 0 346.471 3.712 10 0 EHAERN C[C@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)C1CCOCC1 ZINC000190263318 1036213774 /nfs/dbraw/zinc/21/37/74/1036213774.db2.gz CPPTUQWLOBWWNU-ZFWWWQNUSA-N 0 0 337.410 3.734 10 0 EHAERN CCOc1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1F ZINC000102320037 1036229483 /nfs/dbraw/zinc/22/94/83/1036229483.db2.gz SNOBNYUMTFCATO-UHFFFAOYSA-N 0 0 346.383 3.573 10 0 EHAERN C/C(=C\C(=O)N1CCC(Nc2nccs2)CC1)c1cccc(F)c1 ZINC000190381317 1036231622 /nfs/dbraw/zinc/23/16/22/1036231622.db2.gz BJURRZYIPUBLKK-ACCUITESSA-N 0 0 345.443 3.789 10 0 EHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)ccc1Cl ZINC000190378956 1036233150 /nfs/dbraw/zinc/23/31/50/1036233150.db2.gz QNIVAVUERVAXNL-UHFFFAOYSA-N 0 0 335.860 3.822 10 0 EHAERN Cc1ccccc1CNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000190501173 1036256416 /nfs/dbraw/zinc/25/64/16/1036256416.db2.gz PLKBPTLUTVIMIC-UHFFFAOYSA-N 0 0 336.435 3.773 10 0 EHAERN Fc1ccc(F)c([C@@H]2CCCN(Cc3nnc(-c4ccco4)o3)C2)c1 ZINC000191677315 1036406005 /nfs/dbraw/zinc/40/60/05/1036406005.db2.gz DDGGMRFFQCGSOW-GFCCVEGCSA-N 0 0 345.349 3.987 10 0 EHAERN O=Cc1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1 ZINC000191533679 1036408277 /nfs/dbraw/zinc/40/82/77/1036408277.db2.gz MZCUTBGZLQEFRJ-OAHLLOKOSA-N 0 0 329.346 3.797 10 0 EHAERN CC(=O)CC(C)(C)CC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000191874237 1036454779 /nfs/dbraw/zinc/45/47/79/1036454779.db2.gz ZNBNAFUIVPZMPW-UHFFFAOYSA-N 0 0 334.435 3.624 10 0 EHAERN CC(C)N(CC1CCC1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000193008142 1036572657 /nfs/dbraw/zinc/57/26/57/1036572657.db2.gz CYWINVVLTLBODO-INIZCTEOSA-N 0 0 332.469 3.527 10 0 EHAERN O=C(N[C@H]1CCCc2ccc(F)cc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000091232060 1036755056 /nfs/dbraw/zinc/75/50/56/1036755056.db2.gz MWAPVHQINUUHIL-BPAFIMBUSA-N 0 0 346.446 3.540 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3coc(Br)c3)c21 ZINC000103128661 1036846867 /nfs/dbraw/zinc/84/68/67/1036846867.db2.gz FUPGYPLDWDFOII-UHFFFAOYSA-N 0 0 347.212 3.804 10 0 EHAERN COCCN(CC(F)F)C(=O)c1ccccc1Cc1ccccc1 ZINC000103391992 1036898522 /nfs/dbraw/zinc/89/85/22/1036898522.db2.gz IDELHUIWQHVGKV-UHFFFAOYSA-N 0 0 333.378 3.631 10 0 EHAERN O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc2[nH]ccc2c1 ZINC000103583938 1036949537 /nfs/dbraw/zinc/94/95/37/1036949537.db2.gz PWBSARRILLJWSC-UHFFFAOYSA-N 0 0 331.379 3.675 10 0 EHAERN Cc1nnc([C@H](NC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000105163736 1037149821 /nfs/dbraw/zinc/14/98/21/1037149821.db2.gz LBJIXXGLGAGWFT-KBXCAEBGSA-N 0 0 349.438 3.571 10 0 EHAERN Cc1ccc(NC(=O)C2CC2)cc1NCc1nc(-c2ccoc2)no1 ZINC000105606722 1037200691 /nfs/dbraw/zinc/20/06/91/1037200691.db2.gz MQCRPYXMCKJVFB-UHFFFAOYSA-N 0 0 338.367 3.599 10 0 EHAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CCO[C@H]2CCCC[C@H]21 ZINC000176850449 1037216808 /nfs/dbraw/zinc/21/68/08/1037216808.db2.gz HCFRJAQLXFXSNU-KGLIPLIRSA-N 0 0 331.309 3.628 10 0 EHAERN Cc1cccc(-c2nc(CC(=O)N[C@H](C)c3nccs3)cs2)c1 ZINC000105998102 1037293292 /nfs/dbraw/zinc/29/32/92/1037293292.db2.gz FXXFGFFHBWQVNY-GFCCVEGCSA-N 0 0 343.477 3.995 10 0 EHAERN O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCN(C2CC2)CC1 ZINC000106019260 1037298821 /nfs/dbraw/zinc/29/88/21/1037298821.db2.gz CJCNMRPGBPWGMW-UHFFFAOYSA-N 0 0 342.389 3.552 10 0 EHAERN CC(C)(CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)Cc1ccccc1 ZINC000126564816 1037369922 /nfs/dbraw/zinc/36/99/22/1037369922.db2.gz YGTZJKNSFJTTDE-RXVVDRJESA-N 0 0 344.499 3.592 10 0 EHAERN CCCNC(=O)CCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000104836352 1037416769 /nfs/dbraw/zinc/41/67/69/1037416769.db2.gz JLTSZLRIWQQBPI-SFHVURJKSA-N 0 0 336.863 3.604 10 0 EHAERN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CCCCCC3)C2)n1 ZINC000101857459 1037575948 /nfs/dbraw/zinc/57/59/48/1037575948.db2.gz FYQOUKGCPUNWGS-KRWDZBQOSA-N 0 0 343.471 3.538 10 0 EHAERN C[C@H]1CC[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c2ccccc21 ZINC000153199991 1037707206 /nfs/dbraw/zinc/70/72/06/1037707206.db2.gz UPEJRQRBSWDVMU-LGWHJFRWSA-N 0 0 336.435 3.583 10 0 EHAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)C2)cn1 ZINC000116533562 1037839296 /nfs/dbraw/zinc/83/92/96/1037839296.db2.gz KNWAMGLLNYPNCY-BBRMVZONSA-N 0 0 346.500 3.768 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NCC(C)(C)c3cccs3)CCO2)o1 ZINC000119492821 1037900604 /nfs/dbraw/zinc/90/06/04/1037900604.db2.gz OLTCGPYAZAUKPR-HNNXBMFYSA-N 0 0 348.468 3.710 10 0 EHAERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)c1cc(C)cc(C)c1)CCC2 ZINC000332681238 1037949763 /nfs/dbraw/zinc/94/97/63/1037949763.db2.gz IJGPAXZUAMZICE-SJORKVTESA-N 0 0 340.471 3.746 10 0 EHAERN CCN(C(=O)N[C@H](c1noc(C)n1)c1ccccc1F)[C@@H](C)C(C)C ZINC000124446476 1038189101 /nfs/dbraw/zinc/18/91/01/1038189101.db2.gz KHPOXPVKMPLWBK-LRDDRELGSA-N 0 0 348.422 3.683 10 0 EHAERN Cc1nc([C@H](NC(=O)N2CCCCCCC2)c2ccccc2F)no1 ZINC000124546693 1038202915 /nfs/dbraw/zinc/20/29/15/1038202915.db2.gz LHBLNNWMMDJSBM-MRXNPFEDSA-N 0 0 346.406 3.582 10 0 EHAERN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000408065298 1038316626 /nfs/dbraw/zinc/31/66/26/1038316626.db2.gz NNMUFSWXUDRHAL-WRWLIDTKSA-N 0 0 347.503 3.572 10 0 EHAERN CCc1ccccc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000043402782 1038319754 /nfs/dbraw/zinc/31/97/54/1038319754.db2.gz JZCGZIVQSKBLLP-INIZCTEOSA-N 0 0 349.438 3.703 10 0 EHAERN CC(C)N(C)c1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000125749644 1039252461 /nfs/dbraw/zinc/25/24/61/1039252461.db2.gz BJZGGNPHIIJMRH-OXQOHEQNSA-N 0 0 345.487 3.690 10 0 EHAERN COc1ccc(Nc2nc(C(=O)N3CC[C@H]4CCC[C@H]43)cs2)cc1 ZINC000330231728 1039418122 /nfs/dbraw/zinc/41/81/22/1039418122.db2.gz FCPMRHOVYACFRA-MLGOLLRUSA-N 0 0 343.452 3.910 10 0 EHAERN O=C(NC1CCC2(CCOCC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000408416801 1039748745 /nfs/dbraw/zinc/74/87/45/1039748745.db2.gz WJFNEVSQHAVJLU-QGZVFWFLSA-N 0 0 344.455 3.549 10 0 EHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000151376349 1040068476 /nfs/dbraw/zinc/06/84/76/1040068476.db2.gz ZVLGBYGERRMYJC-VUCTXSBTSA-N 0 0 326.440 3.575 10 0 EHAERN O=C(c1csc(Br)c1)N1CCC[C@@H]1c1nccs1 ZINC000364240689 1040551505 /nfs/dbraw/zinc/55/15/05/1040551505.db2.gz RMSLPOADGAKUPP-SECBINFHSA-N 0 0 343.271 3.944 10 0 EHAERN CCc1ccc(CC)c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000151424984 1040901783 /nfs/dbraw/zinc/90/17/83/1040901783.db2.gz KXYYVTPULHVLTQ-PXNSSMCTSA-N 0 0 330.472 3.970 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000253551747 1040935232 /nfs/dbraw/zinc/93/52/32/1040935232.db2.gz HHLNMJYYQWPIQE-GBIKHYSHSA-N 0 0 343.349 3.991 10 0 EHAERN Cc1ccc([C@H]2CCCN2C(=O)c2ccc3nccnc3n2)cc1C ZINC000333156269 1041376054 /nfs/dbraw/zinc/37/60/54/1041376054.db2.gz BNZHJKHNCXFGSV-GOSISDBHSA-N 0 0 332.407 3.619 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)ccc1OC1CCOCC1 ZINC000330262503 1042670275 /nfs/dbraw/zinc/67/02/75/1042670275.db2.gz VCQMOLTVKYFBOQ-QAPCUYQASA-N 0 0 344.455 3.959 10 0 EHAERN CC[C@@H](N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(OC)cc1 ZINC000162534216 1042733161 /nfs/dbraw/zinc/73/31/61/1042733161.db2.gz BSHGCAJJRVLDKJ-MOPGFXCFSA-N 0 0 336.439 3.952 10 0 EHAERN Cc1nnc([C@H](N[C@@H](C)c2cc(F)cc(F)c2)c2ccccc2)[nH]1 ZINC000162565006 1042738964 /nfs/dbraw/zinc/73/89/64/1042738964.db2.gz TVJCARUCSYSYBN-APPDUMDISA-N 0 0 328.366 3.832 10 0 EHAERN Cc1nnc([C@@H](N[C@H]2CCCc3nc(C)sc32)c2ccccc2)[nH]1 ZINC000162596522 1042742227 /nfs/dbraw/zinc/74/22/27/1042742227.db2.gz BTZYTVNISGYNQN-HOTGVXAUSA-N 0 0 339.468 3.635 10 0 EHAERN CNC(=O)c1cc2cc(NC(=O)N3CCCCC(C)(C)C3)ccc2[nH]1 ZINC000408284292 1042959128 /nfs/dbraw/zinc/95/91/28/1042959128.db2.gz WFVAYXFMUPXBDE-UHFFFAOYSA-N 0 0 342.443 3.572 10 0 EHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(C)(C)C1 ZINC000279138772 1043434135 /nfs/dbraw/zinc/43/41/35/1043434135.db2.gz ZAXWGUQAGRBAOY-GXTWGEPZSA-N 0 0 329.444 3.529 10 0 EHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C[C@H]1n1ccnc1 ZINC000247645024 1043980847 /nfs/dbraw/zinc/98/08/47/1043980847.db2.gz OSZZVBHIMJPGRW-AYOQOUSVSA-N 0 0 338.455 3.553 10 0 EHAERN Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000267097064 1127220150 /nfs/dbraw/zinc/22/01/50/1127220150.db2.gz VVWSSLYAOYLLLP-CQSZACIVSA-N 0 0 340.445 3.507 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000268135535 1128448422 /nfs/dbraw/zinc/44/84/22/1128448422.db2.gz RCFXOHZUNVXIJE-HBUWYVDXSA-N 0 0 339.439 3.803 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc21 ZINC000269873694 1128795549 /nfs/dbraw/zinc/79/55/49/1128795549.db2.gz VXBLLZLDICZTBR-IIDMSEBBSA-N 0 0 338.455 3.937 10 0 EHAERN O=C(CC/C=C\c1ccccc1)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000588470641 1129462231 /nfs/dbraw/zinc/46/22/31/1129462231.db2.gz LZKIZTDFNIDSES-XFFZJAGNSA-N 0 0 346.434 3.624 10 0 EHAERN COc1ccc(-c2nc(CC(=O)OCC(C)(C)C)cs2)cc1OC ZINC000103700595 1131769569 /nfs/dbraw/zinc/76/95/69/1131769569.db2.gz YBHIXJLSBUNGHV-UHFFFAOYSA-N 0 0 349.452 3.959 10 0 EHAERN Cc1nn(CC(C)C)c(C)c1CC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103053122 1132649359 /nfs/dbraw/zinc/64/93/59/1132649359.db2.gz AFWKDKVNDCNMLD-UHFFFAOYSA-N 0 0 345.462 3.889 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3cccnc3Cl)c21 ZINC000103176046 1132731037 /nfs/dbraw/zinc/73/10/37/1132731037.db2.gz OLEOKYFWNICITK-UHFFFAOYSA-N 0 0 328.803 3.889 10 0 EHAERN Cc1cccc(CCCOCCOC(=O)c2ccc(F)c(C)c2)n1 ZINC000103357784 1132822419 /nfs/dbraw/zinc/82/24/19/1132822419.db2.gz VOYKKHYDEHGTLA-UHFFFAOYSA-N 0 0 331.387 3.644 10 0 EHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCc2cccnc2Cl)cc1 ZINC000103813397 1133557332 /nfs/dbraw/zinc/55/73/32/1133557332.db2.gz UJETXQHPERHQEU-IAQYHMDHSA-N 0 0 344.798 3.687 10 0 EHAERN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3)c(Cl)cc12 ZINC000000521772 1134967600 /nfs/dbraw/zinc/96/76/00/1134967600.db2.gz GAMCLXKJTGMTKC-UHFFFAOYSA-N 0 0 343.766 3.772 10 0 EHAERN Cc1ccncc1NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000104452615 1135815928 /nfs/dbraw/zinc/81/59/28/1135815928.db2.gz GBAVPPVZTKUDNT-UHFFFAOYSA-N 0 0 331.375 3.895 10 0 EHAERN O=C(OCCc1cccnc1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000105558139 1135953535 /nfs/dbraw/zinc/95/35/35/1135953535.db2.gz WNHRWCYOIBXUGH-UHFFFAOYSA-N 0 0 342.395 3.668 10 0 EHAERN Cc1nc(Cc2ccccc2)sc1C(=O)OCCc1cccnc1 ZINC000105557011 1135953790 /nfs/dbraw/zinc/95/37/90/1135953790.db2.gz SWHXLSDTVZUSGO-UHFFFAOYSA-N 0 0 338.432 3.837 10 0 EHAERN COCCCOC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000103661426 1137466844 /nfs/dbraw/zinc/46/68/44/1137466844.db2.gz KMVDTYXJNWEABE-UONOGXRCSA-N 0 0 331.437 3.926 10 0 EHAERN CCCCOc1ccccc1COC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC000103674959 1137470880 /nfs/dbraw/zinc/47/08/80/1137470880.db2.gz MOBIEDGTWKMEKE-MRXNPFEDSA-N 0 0 347.455 3.557 10 0 EHAERN CCCCOc1ccccc1COC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC000103674964 1137471015 /nfs/dbraw/zinc/47/10/15/1137471015.db2.gz MOBIEDGTWKMEKE-INIZCTEOSA-N 0 0 347.455 3.557 10 0 EHAERN COc1ccc(OC)c([C@@H](C)NCc2nc(-c3ccccc3)no2)c1 ZINC000102695954 1137873738 /nfs/dbraw/zinc/87/37/38/1137873738.db2.gz QCRVPRNBFIPTHS-CYBMUJFWSA-N 0 0 339.395 3.605 10 0 EHAERN O=C(NCCCCOCc1ccccc1)N1CCC[C@@H]1C1CCC1 ZINC000102905260 1137874518 /nfs/dbraw/zinc/87/45/18/1137874518.db2.gz ZGPIFWCECMRJGO-LJQANCHMSA-N 0 0 330.472 3.958 10 0 EHAERN CC1(C)CCCN1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000102958568 1137874628 /nfs/dbraw/zinc/87/46/28/1137874628.db2.gz VZZXIQGTQYXCGU-UHFFFAOYSA-N 0 0 344.377 3.850 10 0 EHAERN Cc1cccc(NC(=O)COc2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000103721984 1137876955 /nfs/dbraw/zinc/87/69/55/1137876955.db2.gz RHADWZQMIGORIT-UHFFFAOYSA-N 0 0 349.390 3.940 10 0 EHAERN O=C(NCc1ccc(Cl)nc1)N(Cc1ccco1)C1CCCC1 ZINC000105161666 1137880378 /nfs/dbraw/zinc/88/03/78/1137880378.db2.gz UDMIYOILYDCWGZ-UHFFFAOYSA-N 0 0 333.819 3.982 10 0 EHAERN CC1(C)OCC[C@@H]1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333243983 1137959203 /nfs/dbraw/zinc/95/92/03/1137959203.db2.gz QOPNYSMYURSGMU-RDJZCZTQSA-N 0 0 344.455 3.690 10 0 EHAERN CC1(C)OCC[C@H]1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000333243982 1137959232 /nfs/dbraw/zinc/95/92/32/1137959232.db2.gz QOPNYSMYURSGMU-NVXWUHKLSA-N 0 0 344.455 3.690 10 0 EHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000333364532 1138281187 /nfs/dbraw/zinc/28/11/87/1138281187.db2.gz VBIFSSLHJDTZFR-KYJSFNMBSA-N 0 0 341.455 3.717 10 0 EHAERN C[C@@H]1CCCC[C@H]1OCc1noc([C@H]2CCCN2c2nccs2)n1 ZINC000333497101 1138297172 /nfs/dbraw/zinc/29/71/72/1138297172.db2.gz VQLJGPOPCYDPIH-MGPQQGTHSA-N 0 0 348.472 3.963 10 0 EHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000333605904 1138310524 /nfs/dbraw/zinc/31/05/24/1138310524.db2.gz DIWKXXMWAYANDO-JWZBEHFJSA-N 0 0 336.863 3.531 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](O)CC23CCC3)c2ccccc21 ZINC000333727497 1138326094 /nfs/dbraw/zinc/32/60/94/1138326094.db2.gz KNMORVUOXMADGY-RKVPGOIHSA-N 0 0 328.456 3.714 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2ccccc2C)cs1 ZINC000186033507 1140183214 /nfs/dbraw/zinc/18/32/14/1140183214.db2.gz LTGFRRPCHGJMOH-KRWDZBQOSA-N 0 0 329.469 3.849 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)/C=C/c2ccnc(Cl)c2)cs1 ZINC000187139555 1140241277 /nfs/dbraw/zinc/24/12/77/1140241277.db2.gz BODAXOYSPYUIBV-NNTXTVRGSA-N 0 0 333.844 3.877 10 0 EHAERN COC[C@@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccccc1 ZINC000187353168 1140251111 /nfs/dbraw/zinc/25/11/11/1140251111.db2.gz WDLULHKUUOJJIT-WBVHZDCISA-N 0 0 345.468 3.686 10 0 EHAERN COc1ccc(CCNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000189396097 1140340983 /nfs/dbraw/zinc/34/09/83/1140340983.db2.gz WWMCXHQTQMPZLX-KRWDZBQOSA-N 0 0 345.468 3.549 10 0 EHAERN CCCNc1snnc1COc1cccc(Br)c1 ZINC000050831082 214072604 /nfs/dbraw/zinc/07/26/04/214072604.db2.gz TXXTWCWLOGKGLH-UHFFFAOYSA-N 0 0 328.235 3.702 10 0 EHAERN CCNc1ccccc1C(=O)Nc1ncc(Br)s1 ZINC000050769732 214069311 /nfs/dbraw/zinc/06/93/11/214069311.db2.gz RWRDFWLFHLHVPG-UHFFFAOYSA-N 0 0 326.219 3.590 10 0 EHAERN CCc1ccc([C@@H](NC)c2ccccc2I)o1 ZINC000051727159 214102152 /nfs/dbraw/zinc/10/21/52/214102152.db2.gz TTZPTFFAUUULMG-AWEZNQCLSA-N 0 0 341.192 3.755 10 0 EHAERN O[C@@H]1CCCC[C@H]1n1c(=S)[nH]c2cc(Br)ccc21 ZINC000052008325 214112651 /nfs/dbraw/zinc/11/26/51/214112651.db2.gz JLUNLLIGBBJZTN-VXGBXAGGSA-N 0 0 327.247 3.937 10 0 EHAERN COc1ccc([C@H](O)Cc2ccccc2Br)cc1F ZINC000055335159 214309344 /nfs/dbraw/zinc/30/93/44/214309344.db2.gz VSFNKUHRKGOWGT-CQSZACIVSA-N 0 0 325.177 3.873 10 0 EHAERN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)OCc1ccccc1 ZINC000098087564 219082360 /nfs/dbraw/zinc/08/23/60/219082360.db2.gz HRISBMYHHVBLFC-GDBMZVCRSA-N 0 0 333.428 3.765 10 0 EHAERN Fc1ccc(Nc2nc(Cl)nc(Cl)n2)c(Br)c1 ZINC000061518017 214663722 /nfs/dbraw/zinc/66/37/22/214663722.db2.gz YGGKSANVPSAXGI-UHFFFAOYSA-N 0 0 337.967 3.824 10 0 EHAERN CCN(C(=O)CNc1cc(Br)ccc1Cl)C1CC1 ZINC000061691146 214670784 /nfs/dbraw/zinc/67/07/84/214670784.db2.gz APHQILIBXQDDEI-UHFFFAOYSA-N 0 0 331.641 3.525 10 0 EHAERN COC(=O)c1ccc(F)c(NC(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000048107652 213889113 /nfs/dbraw/zinc/88/91/13/213889113.db2.gz IKPUGADNXWTKDK-LBPRGKRZSA-N 0 0 330.359 3.803 10 0 EHAERN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000065529042 214948184 /nfs/dbraw/zinc/94/81/84/214948184.db2.gz NANZRKGLVJMXGY-INIZCTEOSA-N 0 0 333.382 3.631 10 0 EHAERN CCCOCCOCCCC(=O)c1ccc(Br)cc1 ZINC000104231820 219363205 /nfs/dbraw/zinc/36/32/05/219363205.db2.gz DDEWUIJAJPHDRN-UHFFFAOYSA-N 0 0 329.234 3.855 10 0 EHAERN CCCC(=O)N(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000040966313 213404990 /nfs/dbraw/zinc/40/49/90/213404990.db2.gz LRRUDPNLQQUEAV-UHFFFAOYSA-N 0 0 331.437 3.825 10 0 EHAERN CCCc1nnc(NC(=O)/C=C/c2ccc(OCC)c(OC)c2)s1 ZINC000040882490 213397484 /nfs/dbraw/zinc/39/74/84/213397484.db2.gz UNTWEGQQAATMBV-CSKARUKUSA-N 0 0 347.440 3.550 10 0 EHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccc(F)cc1F ZINC000040779579 213385875 /nfs/dbraw/zinc/38/58/75/213385875.db2.gz VTPWIPTUEFJDGG-UHFFFAOYSA-N 0 0 348.744 3.873 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)c2cc3c(cccc3F)n2C)cc1 ZINC000040788421 213387166 /nfs/dbraw/zinc/38/71/66/213387166.db2.gz HDKKICJTNJKHHP-UHFFFAOYSA-N 0 0 325.343 3.528 10 0 EHAERN Nc1c(NCc2ccco2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040755654 213382736 /nfs/dbraw/zinc/38/27/36/213382736.db2.gz PDVQTDXOYIUNFI-UHFFFAOYSA-N 0 0 339.443 3.645 10 0 EHAERN Nc1c(NC(c2ccccc2)c2ccccc2)ncnc1N1CCCC1 ZINC000040724418 213376694 /nfs/dbraw/zinc/37/66/94/213376694.db2.gz POGWWHOAIXDAGO-UHFFFAOYSA-N 0 0 345.450 3.861 10 0 EHAERN Fc1cc(Br)ccc1Nc1ncc(Br)cn1 ZINC000104390559 219383480 /nfs/dbraw/zinc/38/34/80/219383480.db2.gz CBZGCFRJSIYCCJ-UHFFFAOYSA-N 0 0 346.985 3.884 10 0 EHAERN Cc1ccc(CNc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687387 213369917 /nfs/dbraw/zinc/36/99/17/213369917.db2.gz ASPSAGVOFFZUGD-UHFFFAOYSA-N 0 0 331.423 3.674 10 0 EHAERN COc1ccccc1Oc1ncnc(N2CCc3ccccc32)c1N ZINC000040687469 213369689 /nfs/dbraw/zinc/36/96/89/213369689.db2.gz OUNMBGPVJVAPBP-UHFFFAOYSA-N 0 0 334.379 3.554 10 0 EHAERN CCN(c1cccc(C)c1)c1[nH]cnc(=NNc2ccccc2)c1N ZINC000040661779 213365538 /nfs/dbraw/zinc/36/55/38/213365538.db2.gz NIIWQULXPFMVPM-UHFFFAOYSA-N 0 0 334.427 3.964 10 0 EHAERN COc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040307844 213289824 /nfs/dbraw/zinc/28/98/24/213289824.db2.gz MSLQKRNNNXXXSC-UHFFFAOYSA-N 0 0 347.374 3.944 10 0 EHAERN Cn1cc(C(=O)Nc2ccc(F)cc2F)c(=O)c2cccc(Cl)c21 ZINC000039962956 213247005 /nfs/dbraw/zinc/24/70/05/213247005.db2.gz PXRKTJWCMSCXAJ-UHFFFAOYSA-N 0 0 348.736 3.722 10 0 EHAERN Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3cccc(F)c32)c(C)c1 ZINC000039963612 213247101 /nfs/dbraw/zinc/24/71/01/213247101.db2.gz FFEOJBLBQLKXHF-UHFFFAOYSA-N 0 0 338.382 3.705 10 0 EHAERN C[C@@H](NC(=O)c1ccnc(Cl)c1)c1cccc(Br)c1 ZINC000037983348 213182325 /nfs/dbraw/zinc/18/23/25/213182325.db2.gz QDSBGXZNULLIAK-SECBINFHSA-N 0 0 339.620 3.989 10 0 EHAERN COC(=O)[C@@H](NC1CCCCCC1)c1ccccc1Br ZINC000037972659 213177952 /nfs/dbraw/zinc/17/79/52/213177952.db2.gz NURGAKZQLFFFDJ-HNNXBMFYSA-N 0 0 340.261 3.976 10 0 EHAERN CCOC(=O)[C@@H](NC1CCCC1)c1ccc(Br)cc1 ZINC000037970788 213177040 /nfs/dbraw/zinc/17/70/40/213177040.db2.gz BBOUUOAGOBVGBY-AWEZNQCLSA-N 0 0 326.234 3.586 10 0 EHAERN CCC1CCC(Nc2cccc(Br)c2)(C(N)=O)CC1 ZINC000037944509 213175221 /nfs/dbraw/zinc/17/52/21/213175221.db2.gz HUMAUFPCDDRHMR-UHFFFAOYSA-N 0 0 325.250 3.685 10 0 EHAERN NC(=O)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1Br ZINC000037945279 213175252 /nfs/dbraw/zinc/17/52/52/213175252.db2.gz GRJUMOUMRVKDSD-ZDUSSCGKSA-N 0 0 339.620 3.741 10 0 EHAERN CCCn1cc(NCc2csc(Br)c2)ccc1=O ZINC000037774798 213166277 /nfs/dbraw/zinc/16/62/77/213166277.db2.gz LDPYKKOTIXALSQ-UHFFFAOYSA-N 0 0 327.247 3.694 10 0 EHAERN CCN(CC)C(=O)[C@H](C)Nc1ccc(Br)cc1Cl ZINC000037392385 213143801 /nfs/dbraw/zinc/14/38/01/213143801.db2.gz HCAHVSJKWPCOJQ-VIFPVBQESA-N 0 0 333.657 3.771 10 0 EHAERN Nc1ccsc1-c1nc(Cc2cccc(Br)c2)no1 ZINC000036765649 213117227 /nfs/dbraw/zinc/11/72/27/213117227.db2.gz LIKPRIXWZDVUQX-UHFFFAOYSA-N 0 0 336.214 3.734 10 0 EHAERN CC(C)(C)OC(=O)Nc1cc(F)cc(I)c1 ZINC000036294505 213081740 /nfs/dbraw/zinc/08/17/40/213081740.db2.gz BEDDKXJLMJLOLV-UHFFFAOYSA-N 0 0 337.132 3.777 10 0 EHAERN CN(C(=S)NC(=O)C=Cc1ccccc1Cl)c1ccccc1 ZINC000035681065 213045954 /nfs/dbraw/zinc/04/59/54/213045954.db2.gz CGVPHGHVCRCNFL-QXMHVHEDSA-N 0 0 330.840 3.891 10 0 EHAERN COc1ccccc1CNc1ncc2nc(-c3ccccc3)oc2n1 ZINC000035475929 213031607 /nfs/dbraw/zinc/03/16/07/213031607.db2.gz OQHQPIYQXRPVSK-UHFFFAOYSA-N 0 0 332.363 3.906 10 0 EHAERN COc1ccc(-n2nc(NC(=O)c3cc(C)cs3)cc2C)cc1 ZINC000034907543 212996867 /nfs/dbraw/zinc/99/68/67/212996867.db2.gz KZNKKYCOCOGXKP-UHFFFAOYSA-N 0 0 327.409 3.812 10 0 EHAERN COc1cc(/C=C2/C(=O)Nc3ccc(C)cc32)cc(OC)c1OC ZINC000033743828 212961784 /nfs/dbraw/zinc/96/17/84/212961784.db2.gz WEHNKIWKAGIDIS-RIYZIHGNSA-N 0 0 325.364 3.514 10 0 EHAERN CCN[C@@H](c1ccc(Br)o1)c1cc(F)ccc1OC ZINC000035554312 213037522 /nfs/dbraw/zinc/03/75/22/213037522.db2.gz BYUIKWYMXUFUPP-CQSZACIVSA-N 0 0 328.181 3.889 10 0 EHAERN CC[C@H](C)NC(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1C(C)(C)C ZINC000035542202 213037545 /nfs/dbraw/zinc/03/75/45/213037545.db2.gz CHYNHXSRAYRGHK-NSHDSACASA-N 0 0 347.438 3.811 10 0 EHAERN Cc1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1C ZINC000032530582 212808258 /nfs/dbraw/zinc/80/82/58/212808258.db2.gz HFWVGEODCHWPPC-UHFFFAOYSA-N 0 0 334.419 3.874 10 0 EHAERN C[C@H]1CN(c2nc3ccccc3c(Nc3ccccc3)n2)C[C@H](C)O1 ZINC000072260478 216085802 /nfs/dbraw/zinc/08/58/02/216085802.db2.gz AGUOVRYQAZGLPK-GJZGRUSLSA-N 0 0 334.423 3.987 10 0 EHAERN C[C@@H](OC[C@@H]1CCCCO1)C(=O)c1ccc(Br)cc1 ZINC000037345063 213139945 /nfs/dbraw/zinc/13/99/45/213139945.db2.gz FNIQDKKYDGZDPT-RISCZKNCSA-N 0 0 327.218 3.606 10 0 EHAERN O=c1[nH]nc(SCc2ccc(Cl)cc2)n1[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000000127865 209439073 /nfs/dbraw/zinc/43/90/73/209439073.db2.gz RXFGXLAWXKSNCZ-DYEKYZERSA-N 0 0 333.844 3.654 10 0 EHAERN O[C@@H](CNc1cc(Br)ccc1F)c1cccc(F)c1 ZINC000037891780 213172622 /nfs/dbraw/zinc/17/26/22/213172622.db2.gz MKKDTMBNELSLIY-AWEZNQCLSA-N 0 0 328.156 3.873 10 0 EHAERN Cc1ccc(Nc2nc3nccc(-c4ccco4)c3c(=O)[nH]2)c(C)c1 ZINC000072441040 216235099 /nfs/dbraw/zinc/23/50/99/216235099.db2.gz YGOPAUSFZOVYQL-UHFFFAOYSA-N 0 0 332.363 3.939 10 0 EHAERN Cc1nn(-c2cccc(F)c2)cc1-c1ccnc(N2CCCCC2)n1 ZINC000072462096 216244520 /nfs/dbraw/zinc/24/45/20/216244520.db2.gz DRHHZQIOZQQIMX-UHFFFAOYSA-N 0 0 337.402 3.767 10 0 EHAERN Cc1nn(C)cc1-c1ccnc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000072462166 216243710 /nfs/dbraw/zinc/24/37/10/216243710.db2.gz MUPUYMXTFDFIDY-UHFFFAOYSA-N 0 0 347.466 3.645 10 0 EHAERN O=C(c1cnc2ccccc2n1)N1CCS[C@H](c2ccccc2)CC1 ZINC000208040924 241065669 /nfs/dbraw/zinc/06/56/69/241065669.db2.gz RVUBABMCNWXPJK-IBGZPJMESA-N 0 0 349.459 3.950 10 0 EHAERN CC(=O)Oc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1Cl ZINC000021143537 212211049 /nfs/dbraw/zinc/21/10/49/212211049.db2.gz GJNONOHJSNAACE-UHFFFAOYSA-N 0 0 340.162 3.877 10 0 EHAERN Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccc(C)cc1C ZINC000020901853 212184090 /nfs/dbraw/zinc/18/40/90/212184090.db2.gz DIFADUQRNIOHPQ-UHFFFAOYSA-N 0 0 342.349 3.723 10 0 EHAERN O=C(c1ccccc1OCC1CC1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253623477 244039132 /nfs/dbraw/zinc/03/91/32/244039132.db2.gz VTYVZXSWIIEILY-QXAKKESOSA-N 0 0 343.467 3.631 10 0 EHAERN CC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254846486 244044283 /nfs/dbraw/zinc/04/42/83/244044283.db2.gz MDCCMZGGNCMFPQ-HAAPBCEXSA-N 0 0 346.511 3.876 10 0 EHAERN COc1ccc(CCC(=O)Nc2ccc(Cl)c(N)c2)cc1OC ZINC000020344597 212121640 /nfs/dbraw/zinc/12/16/40/212121640.db2.gz KLSQZXNECWPDMB-UHFFFAOYSA-N 0 0 334.803 3.511 10 0 EHAERN Cc1cc(C)cc(N2C[C@H](C(=O)NC3CCCCCCC3)CC2=O)c1 ZINC000020374019 212123797 /nfs/dbraw/zinc/12/37/97/212123797.db2.gz VIXPVJYNFKFAMX-QGZVFWFLSA-N 0 0 342.483 3.885 10 0 EHAERN Nc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)cc1 ZINC000019874362 212078379 /nfs/dbraw/zinc/07/83/79/212078379.db2.gz NJSMGRVEBJDWMG-UHFFFAOYSA-N 0 0 331.213 3.624 10 0 EHAERN COc1cc(F)c(-c2nc3c[nH]n(-c4ccccc4)c-3n2)cc1OC ZINC000048436224 213939781 /nfs/dbraw/zinc/93/97/81/213939781.db2.gz XTOAVHVHAPIMJI-UHFFFAOYSA-N 0 0 338.342 3.572 10 0 EHAERN CCOc1ccccc1/N=c1\scc(OC(=O)CC)n1C(=O)CC ZINC000011638087 211227931 /nfs/dbraw/zinc/22/79/31/211227931.db2.gz IIHAROGOMDJWQM-ZCXUNETKSA-N 0 0 348.424 3.546 10 0 EHAERN CCC(=O)Oc1cs/c(=N\c2ccc(C)c(C)c2)n1C(=O)CC ZINC000011638083 211227758 /nfs/dbraw/zinc/22/77/58/211227758.db2.gz GUQAKMJCROAHAG-ZCXUNETKSA-N 0 0 332.425 3.764 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1cc(Cl)ncn1 ZINC000095086353 218277495 /nfs/dbraw/zinc/27/74/95/218277495.db2.gz BEFTXOPMBUFHHG-LBPRGKRZSA-N 0 0 341.839 3.689 10 0 EHAERN C[C@H](Sc1nc2ccccc2n1C)C(=O)N[C@@H](C)c1ccccc1 ZINC000008808043 211007946 /nfs/dbraw/zinc/00/79/46/211007946.db2.gz JCIJKYXGIQGPDI-KBPBESRZSA-N 0 0 339.464 3.931 10 0 EHAERN C[C@@H]1CCCC[C@@H]1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000004928477 210326071 /nfs/dbraw/zinc/32/60/71/210326071.db2.gz NHYJCNIOYCGGBF-RISCZKNCSA-N 0 0 333.819 3.622 10 0 EHAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1nc3ccccc3o1)CCCC2 ZINC000328628411 258030925 /nfs/dbraw/zinc/03/09/25/258030925.db2.gz HEZNCQRFVVGTAP-KRWDZBQOSA-N 0 0 336.439 3.777 10 0 EHAERN C[C@H](O)Cn1c2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000057326677 258003841 /nfs/dbraw/zinc/00/38/41/258003841.db2.gz HURPLSSUODVMHK-LBPRGKRZSA-N 0 0 338.436 3.586 10 0 EHAERN COc1cccc(OCc2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)c1 ZINC000299740495 258009375 /nfs/dbraw/zinc/00/93/75/258009375.db2.gz BDLSFYGVEGEDCF-HOCLYGCPSA-N 0 0 332.400 3.576 10 0 EHAERN CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccccc1OC(F)F ZINC000031122882 522460271 /nfs/dbraw/zinc/46/02/71/522460271.db2.gz YRFMBRDHFPGTSW-UBHSHLNASA-N 0 0 342.386 3.606 10 0 EHAERN Cc1cccc(-c2cc(=O)[nH]c(NCc3ccc(F)cc3F)n2)c1 ZINC000057342014 524106426 /nfs/dbraw/zinc/10/64/26/524106426.db2.gz GXUYTNBHUJDAKU-UHFFFAOYSA-N 0 0 327.334 3.636 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCOC3(CCCC3)C2)cs1 ZINC000187622606 527049078 /nfs/dbraw/zinc/04/90/78/527049078.db2.gz UAKKNJFQCQUFRZ-ZBFHGGJFSA-N 0 0 349.500 3.790 10 0 EHAERN COc1ccc2c(c1)O[C@@H](C)CN(C(=O)/C(F)=C/c1ccccc1)C2 ZINC000014960902 563768528 /nfs/dbraw/zinc/76/85/28/563768528.db2.gz SFOAXWGMLCETHZ-KPYNCUPYSA-N 0 0 341.382 3.815 10 0 EHAERN CCCNc1ncccc1NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000085347798 563973758 /nfs/dbraw/zinc/97/37/58/563973758.db2.gz IVNHZXFSCHPNFB-UHFFFAOYSA-N 0 0 334.464 3.715 10 0 EHAERN COc1ccc(-c2cn(-c3cc(Cl)ccc3F)nn2)cc1OC ZINC000725263426 563986393 /nfs/dbraw/zinc/98/63/93/563986393.db2.gz FAHZLUKUZNAGAR-UHFFFAOYSA-N 0 0 333.750 3.744 10 0 EHAERN CC(C)NS(=O)(=O)c1occc1-c1cc(Cl)cc(Cl)c1 ZINC000675054897 564084301 /nfs/dbraw/zinc/08/43/01/564084301.db2.gz VXIVLMYFDZPQTL-UHFFFAOYSA-N 0 0 334.224 3.940 10 0 EHAERN O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)N1CCCCCC1 ZINC000064846923 564096896 /nfs/dbraw/zinc/09/68/96/564096896.db2.gz IXUJLBYEXJLQGK-UHFFFAOYSA-N 0 0 349.519 3.533 10 0 EHAERN O=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)c1ccccc1 ZINC000065155664 564102101 /nfs/dbraw/zinc/10/21/01/564102101.db2.gz BZBDJFNDDNZHRT-NRFANRHFSA-N 0 0 333.362 3.608 10 0 EHAERN CC1=C(C#N)[C@@H]2Nc3ccccc3N2C(Nc2cccc([N+](=O)[O-])c2)=C1 ZINC000048524004 564129279 /nfs/dbraw/zinc/12/92/79/564129279.db2.gz VWCZXFXUFGWHDV-LJQANCHMSA-N 0 0 345.362 3.960 10 0 EHAERN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000048544515 564129339 /nfs/dbraw/zinc/12/93/39/564129339.db2.gz VEIXZLOTCANYDL-XVNBXDOJSA-N 0 0 331.755 3.729 10 0 EHAERN COc1ccc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)cc1Cl ZINC000701209191 976996365 /nfs/dbraw/zinc/99/63/65/976996365.db2.gz AWQODNXOGYWPPD-UHFFFAOYSA-N 0 0 333.815 3.826 10 0 EHAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000716470059 977842178 /nfs/dbraw/zinc/84/21/78/977842178.db2.gz NVYQNEAUIHPVPL-HYNSBDGHSA-N 0 0 338.245 3.529 10 0 EHAERN O=C([O-])C[N@H+](Cc1cccc(Cl)c1Br)C1CCCC1 ZINC000719422483 978004315 /nfs/dbraw/zinc/00/43/15/978004315.db2.gz RDITWZKQIYLUNY-UHFFFAOYSA-N 0 0 346.652 3.932 10 0 EHAERN Cc1cc(F)ccc1-n1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000179268155 1016864019 /nfs/dbraw/zinc/86/40/19/1016864019.db2.gz UGQXOGWHACEYMW-KDOFPFPSSA-N 0 0 342.418 3.510 10 0 EHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C(C)(C)O1 ZINC000180414232 1016902720 /nfs/dbraw/zinc/90/27/20/1016902720.db2.gz ZFGXDXUPTQADAO-TUAOUCFPSA-N 0 0 336.398 3.753 10 0 EHAERN O=C(Nc1ccc(Cl)cc1F)N1CCCN(c2ccccn2)CC1 ZINC000184026598 1032224912 /nfs/dbraw/zinc/22/49/12/1032224912.db2.gz FLIXDMRGVOMQRS-UHFFFAOYSA-N 0 0 348.809 3.618 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3ncccc3C)C2)cc1 ZINC000184937358 1032344633 /nfs/dbraw/zinc/34/46/33/1032344633.db2.gz KGWOQOJIHXIESX-CDGFNTGHSA-N 0 0 336.435 3.816 10 0 EHAERN Cn1cc(-c2cc(CN3CC=C(c4ccccc4F)CC3)on2)cn1 ZINC000185064719 1032359069 /nfs/dbraw/zinc/35/90/69/1032359069.db2.gz KKASBDRBKBGCQJ-UHFFFAOYSA-N 0 0 338.386 3.504 10 0 EHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000185346588 1032381321 /nfs/dbraw/zinc/38/13/21/1032381321.db2.gz CNFZVLRRYVJOPI-CPUCHLNUSA-N 0 0 345.345 3.523 10 0 EHAERN CCc1oc(C(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)cc1C ZINC000408038416 1017501560 /nfs/dbraw/zinc/50/15/60/1017501560.db2.gz MLLCGKAPBWWOJQ-INIZCTEOSA-N 0 0 341.455 3.740 10 0 EHAERN CCC[C@@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)C1CCCCC1 ZINC000116544655 1019054848 /nfs/dbraw/zinc/05/48/48/1019054848.db2.gz ZVZHVBOMBBAOEG-FUHWJXTLSA-N 0 0 332.492 3.668 10 0 EHAERN COc1ccc(-c2noc(CNc3ccc(C)cc3F)n2)cc1OC ZINC000052876798 1019299370 /nfs/dbraw/zinc/29/93/70/1019299370.db2.gz FSWKQXQHFXSAEM-UHFFFAOYSA-N 0 0 343.358 3.813 10 0 EHAERN CC(C)(C)/C=C\C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392259 1020177253 /nfs/dbraw/zinc/17/72/53/1020177253.db2.gz HQMJJUMNHOSBLI-JNSOCZORSA-N 0 0 338.455 3.780 10 0 EHAERN C[C@H](NC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000333790516 1022130865 /nfs/dbraw/zinc/13/08/65/1022130865.db2.gz DFZWZQMYDWGYGY-NUEKZKHPSA-N 0 0 344.455 3.739 10 0 EHAERN CC1(C)CCC(=Cc2nc(C3(S(C)(=O)=O)CCCC3)no2)CC1 ZINC000333841900 1022256574 /nfs/dbraw/zinc/25/65/74/1022256574.db2.gz NMMLAHQISYBXSL-UHFFFAOYSA-N 0 0 338.473 3.867 10 0 EHAERN C[C@@]12CN(C(=O)Nc3ccc(C(N)=O)c(F)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333852345 1022302305 /nfs/dbraw/zinc/30/23/05/1022302305.db2.gz PSOYLEVUVIHLMN-VHFNBUCGSA-N 0 0 331.391 3.609 10 0 EHAERN O=C(N[C@@H]1CCCC[C@H]1F)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000334110179 1022402923 /nfs/dbraw/zinc/40/29/23/1022402923.db2.gz BCPKEPKUMRHBRO-REWJHTLYSA-N 0 0 326.437 3.548 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)CCc2cccc(F)c2)[nH]1 ZINC000328742056 1022478601 /nfs/dbraw/zinc/47/86/01/1022478601.db2.gz NTVAVQXSRMFAOT-GUYCJALGSA-N 0 0 344.434 3.575 10 0 EHAERN Cc1nnc([C@H]2CCCCN2C(=O)C[C@H](C)Cc2cccc(F)c2)[nH]1 ZINC000328750860 1022480669 /nfs/dbraw/zinc/48/06/69/1022480669.db2.gz RHSVKOQBRRGNMC-CXAGYDPISA-N 0 0 344.434 3.575 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCc3n[nH]cc32)o1 ZINC000246629822 1022558760 /nfs/dbraw/zinc/55/87/60/1022558760.db2.gz SRATZXWUPJDWSS-IFIJOSMWSA-N 0 0 327.428 3.731 10 0 EHAERN Cc1cccc(CNC(=O)N(C)CCc2cccc3ccccc32)n1 ZINC000101607994 1022572529 /nfs/dbraw/zinc/57/25/29/1022572529.db2.gz SPTYNKLWEKAMKA-UHFFFAOYSA-N 0 0 333.435 3.927 10 0 EHAERN CCOc1ccccc1[C@H](CC)NC(=O)NCc1cccc(C)n1 ZINC000101617199 1022593353 /nfs/dbraw/zinc/59/33/53/1022593353.db2.gz ZTHIKWNKDJAZFX-KRWDZBQOSA-N 0 0 327.428 3.739 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CCO[C@H](c3ccsc3)C2)c(C)o1 ZINC000121777828 1022796816 /nfs/dbraw/zinc/79/68/16/1022796816.db2.gz SUSHVBXUGDTUJQ-LRDDRELGSA-N 0 0 334.441 3.802 10 0 EHAERN CC[C@@H](CNC(=O)/C=C\c1ncccc1C)Oc1cccc(F)c1 ZINC000588453347 1023050670 /nfs/dbraw/zinc/05/06/70/1023050670.db2.gz HFYUGUNUYHOLRE-YDZSZYSISA-N 0 0 328.387 3.516 10 0 EHAERN Cc1cccnc1/C=C\C(=O)OCc1csc(Br)c1 ZINC000588455167 1023067495 /nfs/dbraw/zinc/06/74/95/1023067495.db2.gz IEEOUFDGKYBBHN-PLNGDYQASA-N 0 0 338.226 3.971 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000180308091 1023266652 /nfs/dbraw/zinc/26/66/52/1023266652.db2.gz FNGFHOAVFDBXQX-RDTXWAMCSA-N 0 0 340.471 3.935 10 0 EHAERN COc1ccc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)c(OC)c1 ZINC000000178067 1023995535 /nfs/dbraw/zinc/99/55/35/1023995535.db2.gz MDYZPUPZJUCBEL-YVLHZVERSA-N 0 0 337.375 3.665 10 0 EHAERN CO[C@H](C)c1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000248157493 1024003629 /nfs/dbraw/zinc/00/36/29/1024003629.db2.gz RPYMHRAQIQVBFU-ALKREAHSSA-N 0 0 332.444 3.553 10 0 EHAERN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247548579 1024346985 /nfs/dbraw/zinc/34/69/85/1024346985.db2.gz SAEHXTIWYASOMC-JZXOWHBKSA-N 0 0 332.492 3.524 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3csc(-c4ccoc4)n3)CCO2)o1 ZINC000151667722 1024372827 /nfs/dbraw/zinc/37/28/27/1024372827.db2.gz FSNNAXKVUNAITR-HNNXBMFYSA-N 0 0 344.392 3.518 10 0 EHAERN CC(C)[C@@H](C)CC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000103249626 1024383417 /nfs/dbraw/zinc/38/34/17/1024383417.db2.gz FBNOADJIIHKCLC-FUHWJXTLSA-N 0 0 345.487 3.871 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3nc4c(s3)CCCC4)CCO2)o1 ZINC000165798636 1024473417 /nfs/dbraw/zinc/47/34/17/1024473417.db2.gz WGFGCUBXSHYJDR-AWEZNQCLSA-N 0 0 347.440 3.529 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)C/C=C/c3ccccc3F)CCO2)o1 ZINC000151733348 1024514770 /nfs/dbraw/zinc/51/47/70/1024514770.db2.gz NQXYPOXATCLBNE-JXTAAOLFSA-N 0 0 329.371 3.731 10 0 EHAERN CCC(CC)c1cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)on1 ZINC000151803239 1024700298 /nfs/dbraw/zinc/70/02/98/1024700298.db2.gz PICYHHBVFRFECT-KRWDZBQOSA-N 0 0 332.400 3.693 10 0 EHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000330360605 1025155359 /nfs/dbraw/zinc/15/53/59/1025155359.db2.gz XIZXGXVEUSCMGR-ILXRZTDVSA-N 0 0 349.475 3.555 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000153605564 1025218322 /nfs/dbraw/zinc/21/83/22/1025218322.db2.gz IENGHFDXOAQSLQ-CVEARBPZSA-N 0 0 347.507 3.704 10 0 EHAERN CC1(C)C[C@@H](N2C(=O)NC3(CCCCC3)C2=O)c2ccccc2O1 ZINC000329402253 1025811600 /nfs/dbraw/zinc/81/16/00/1025811600.db2.gz ZGZQFROAFCBZJF-CQSZACIVSA-N 0 0 328.412 3.748 10 0 EHAERN CCc1csc([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)n1 ZINC000329435815 1025845073 /nfs/dbraw/zinc/84/50/73/1025845073.db2.gz LSYVSYUMXFIWTN-ZDUSSCGKSA-N 0 0 342.530 3.547 10 0 EHAERN CC[C@H]1C[C@@H](c2nc(CCn3c(C)nc4ccccc43)no2)CCO1 ZINC000329615517 1026076296 /nfs/dbraw/zinc/07/62/96/1026076296.db2.gz PNLWMCAPBDCEKV-GJZGRUSLSA-N 0 0 340.427 3.643 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccnc(Cl)c3)C2)cc1 ZINC000122101079 1026237319 /nfs/dbraw/zinc/23/73/19/1026237319.db2.gz DQZHUTQBEQTHGC-IUODEOHRSA-N 0 0 330.815 3.762 10 0 EHAERN Cc1nnc([C@H](NC(=O)c2cccc(C)c2Cl)c2ccccc2)[nH]1 ZINC000122202139 1026319818 /nfs/dbraw/zinc/31/98/18/1026319818.db2.gz XPKWDIRUZMRANR-MRXNPFEDSA-N 0 0 340.814 3.594 10 0 EHAERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)c1cccs1 ZINC000152642148 1026480161 /nfs/dbraw/zinc/48/01/61/1026480161.db2.gz MEGSPDCIYANBRU-QLFBSQMISA-N 0 0 332.473 3.688 10 0 EHAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC(C)(C)C1 ZINC000248410416 1026525268 /nfs/dbraw/zinc/52/52/68/1026525268.db2.gz GZKCYLJATRQSTF-FVQBIDKESA-N 0 0 344.503 3.851 10 0 EHAERN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)[C@@H]2CCCC[C@H]21 ZINC000248411258 1026577077 /nfs/dbraw/zinc/57/70/77/1026577077.db2.gz DPQMZGONIGKXQW-HACGYAERSA-N 0 0 347.434 3.570 10 0 EHAERN COCc1cc(N2CCC[C@H](c3nccs3)C2)nc(C(C)(C)C)n1 ZINC000301794900 1026940949 /nfs/dbraw/zinc/94/09/49/1026940949.db2.gz PKVIYWFQCJKGPR-ZDUSSCGKSA-N 0 0 346.500 3.761 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCc2sccc2C1 ZINC000128627032 1027460486 /nfs/dbraw/zinc/46/04/86/1027460486.db2.gz RWHZDIVJZXKSFC-UHFFFAOYSA-N 0 0 347.509 3.546 10 0 EHAERN Cc1cc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c(C)n1C1CC1 ZINC000128943449 1027503994 /nfs/dbraw/zinc/50/39/94/1027503994.db2.gz CHUIXIIKWOYTJT-CQSZACIVSA-N 0 0 349.438 3.512 10 0 EHAERN CC(C)(C)c1nc(CN2CCC(Nc3ccccc3F)CC2)no1 ZINC000129062712 1027519163 /nfs/dbraw/zinc/51/91/63/1027519163.db2.gz OEYABCMMDZJYIJ-UHFFFAOYSA-N 0 0 332.423 3.583 10 0 EHAERN CC(C)OC(=O)[C@H](C)N(C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000130049694 1027627184 /nfs/dbraw/zinc/62/71/84/1027627184.db2.gz PVPSPGRTNWLADI-LBPRGKRZSA-N 0 0 336.819 3.767 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H]3SCCc4ccccc43)CCO2)o1 ZINC000133656540 1028051399 /nfs/dbraw/zinc/05/13/99/1028051399.db2.gz KBGATKJNFOXLDY-QZTJIDSGSA-N 0 0 343.448 3.519 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3SCCc4ccccc43)CCO2)o1 ZINC000133656357 1028052532 /nfs/dbraw/zinc/05/25/32/1028052532.db2.gz KBGATKJNFOXLDY-ZWKOTPCHSA-N 0 0 343.448 3.519 10 0 EHAERN O=C(Nc1ccccc1OCC1CC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246253099 1028085475 /nfs/dbraw/zinc/08/54/75/1028085475.db2.gz YNNMUYIMBDRLBF-BMGDILEWSA-N 0 0 342.439 3.555 10 0 EHAERN CC(C)C[C@H](CCO)CNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000135351175 1028183922 /nfs/dbraw/zinc/18/39/22/1028183922.db2.gz NEUCPPGOAJXCJN-INIZCTEOSA-N 0 0 348.462 3.669 10 0 EHAERN CCc1cnc(CN(C)C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)s1 ZINC000246349942 1028269213 /nfs/dbraw/zinc/26/92/13/1028269213.db2.gz MKDQEGQCHAPWAL-CGTJXYLNSA-N 0 0 341.480 3.575 10 0 EHAERN O=C(Nc1ccc(F)cc1Cl)N1CC[C@@H](Oc2cccnc2)C1 ZINC000136900359 1028277206 /nfs/dbraw/zinc/27/72/06/1028277206.db2.gz ZDYFDGGRWVATGW-CYBMUJFWSA-N 0 0 335.766 3.559 10 0 EHAERN O=C(c1cccnc1C(F)(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000137092476 1028287340 /nfs/dbraw/zinc/28/73/40/1028287340.db2.gz NFHCEHFCTXEGPQ-JTQLQIEISA-N 0 0 341.358 3.577 10 0 EHAERN Cc1ccc2cccc(NC(=O)N3CC[C@@H](Oc4cccnc4)C3)c2n1 ZINC000137410931 1028312803 /nfs/dbraw/zinc/31/28/03/1028312803.db2.gz ATRRBRDQHFCZCI-QGZVFWFLSA-N 0 0 348.406 3.623 10 0 EHAERN COc1ccccc1[C@@H]1CCCN1C(=O)N[C@H](C)c1ccncc1 ZINC000069727913 1028437493 /nfs/dbraw/zinc/43/74/93/1028437493.db2.gz GMLVLMRYOCVYDO-PBHICJAKSA-N 0 0 325.412 3.698 10 0 EHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)Cc1cccs1 ZINC000062576083 1028450223 /nfs/dbraw/zinc/45/02/23/1028450223.db2.gz DGNGNAKOBRSDJJ-UHFFFAOYSA-N 0 0 326.421 3.613 10 0 EHAERN COc1ccccc1C(=O)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555159 1028450566 /nfs/dbraw/zinc/45/05/66/1028450566.db2.gz CUNUBMIFFLKCSN-MRXNPFEDSA-N 0 0 325.408 3.626 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)N(CC3CCC3)C(C)C)CC2)n1 ZINC000193747053 1028460760 /nfs/dbraw/zinc/46/07/60/1028460760.db2.gz BGTNUZNEBMGNBH-UHFFFAOYSA-N 0 0 344.503 3.579 10 0 EHAERN COc1cccc(C2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000194703940 1028541935 /nfs/dbraw/zinc/54/19/35/1028541935.db2.gz RLAABIPQJULRMI-INIZCTEOSA-N 0 0 342.266 3.985 10 0 EHAERN c1csc([C@@H]2CCCN(Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000195441579 1028610721 /nfs/dbraw/zinc/61/07/21/1028610721.db2.gz HTQPBLHOOZBDFD-LLVKDONJSA-N 0 0 332.454 3.634 10 0 EHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246706699 1028681234 /nfs/dbraw/zinc/68/12/34/1028681234.db2.gz NFGOCJXAGAIGBJ-IUIKQTSFSA-N 0 0 332.831 3.673 10 0 EHAERN Cc1cccc(CNC(=O)N2CCn3cccc3[C@H]2c2ccccc2)n1 ZINC000105164642 1028695793 /nfs/dbraw/zinc/69/57/93/1028695793.db2.gz GPFGWNZVTILEDL-HXUWFJFHSA-N 0 0 346.434 3.506 10 0 EHAERN CN(C)c1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000075805976 1028795334 /nfs/dbraw/zinc/79/53/34/1028795334.db2.gz PQTBKDWNRVELJG-UHFFFAOYSA-N 0 0 341.430 3.608 10 0 EHAERN Cc1oc(-c2cccs2)nc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247587312 1028803999 /nfs/dbraw/zinc/80/39/99/1028803999.db2.gz MHEVGASKEVIKMW-BBRMVZONSA-N 0 0 342.468 3.991 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NCc1ccc2c(c1)CC(C)(C)O2 ZINC000153868535 1028846705 /nfs/dbraw/zinc/84/67/05/1028846705.db2.gz ULVLKCXBISMZJN-MRXNPFEDSA-N 0 0 340.471 3.740 10 0 EHAERN COCCc1ccccc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000248892104 1028962547 /nfs/dbraw/zinc/96/25/47/1028962547.db2.gz ZDBHXHIQGZADPW-DFQSSKMNSA-N 0 0 336.435 3.725 10 0 EHAERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1c(Cl)ccc(Cl)c1Cl ZINC000252017734 1029172757 /nfs/dbraw/zinc/17/27/57/1029172757.db2.gz YIWYKCMOBQZIJD-WHGOUJPWSA-N 0 0 334.630 3.944 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccnc3Cl)C2)cc1 ZINC000078187613 1029240720 /nfs/dbraw/zinc/24/07/20/1029240720.db2.gz QTHHQHGJZCFFHA-GXTWGEPZSA-N 0 0 330.815 3.762 10 0 EHAERN CNC(=O)c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1Cl ZINC000248454516 1029323649 /nfs/dbraw/zinc/32/36/49/1029323649.db2.gz ZLJPUWUUJAOORH-DETPVDSQSA-N 0 0 349.862 3.742 10 0 EHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2noc3c2CCCCC3)C12CCCC2 ZINC000154275909 1029431290 /nfs/dbraw/zinc/43/12/90/1029431290.db2.gz JYMYDEAUBAZHHO-DLBZAZTESA-N 0 0 346.471 3.753 10 0 EHAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccncc2)C12CCCCC2 ZINC000078830225 1029478746 /nfs/dbraw/zinc/47/87/46/1029478746.db2.gz ISHUYWWNWXTSCU-USXIJHARSA-N 0 0 331.460 3.570 10 0 EHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@H]1c1ccco1 ZINC000155650605 1029611167 /nfs/dbraw/zinc/61/11/67/1029611167.db2.gz VCQKZPUXSLROEG-HNNXBMFYSA-N 0 0 345.468 3.857 10 0 EHAERN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Cl)Cl)C[C@@H](c2ccsc2)O1 ZINC000155700475 1029623617 /nfs/dbraw/zinc/62/36/17/1029623617.db2.gz TWAYMCCETNIVAD-CDMKHQONSA-N 0 0 334.268 3.620 10 0 EHAERN CCn1c(C)cc(C(=O)NC2CCN(c3cccs3)CC2)c1C ZINC000155935185 1029700110 /nfs/dbraw/zinc/70/01/10/1029700110.db2.gz IFTUSAQZYVCHPB-UHFFFAOYSA-N 0 0 331.485 3.585 10 0 EHAERN CCc1nccn1[C@H]1CCCN(C(=O)NC2CCC(CC)CC2)C1 ZINC000152374053 1030073764 /nfs/dbraw/zinc/07/37/64/1030073764.db2.gz NNDJJDRUUHINJY-JCYILVPMSA-N 0 0 332.492 3.761 10 0 EHAERN Cc1ccc(/C=C/C(=O)N2CCC(OCc3ccc(F)cc3)CC2)o1 ZINC000092069943 1030368617 /nfs/dbraw/zinc/36/86/17/1030368617.db2.gz KVULEYWCOYIYQI-CMDGGOBGSA-N 0 0 343.398 3.948 10 0 EHAERN O=C(c1ncccc1C(F)(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000092396754 1030444972 /nfs/dbraw/zinc/44/49/72/1030444972.db2.gz GFTJSDPKQFADBU-JTQLQIEISA-N 0 0 341.358 3.577 10 0 EHAERN Clc1nc2ccccn2c1CN1CCC[C@H](c2nccs2)C1 ZINC000092788519 1030520909 /nfs/dbraw/zinc/52/09/09/1030520909.db2.gz LZIVPHBIDUWYNL-LBPRGKRZSA-N 0 0 332.860 3.824 10 0 EHAERN O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170671483 1030693119 /nfs/dbraw/zinc/69/31/19/1030693119.db2.gz KMESFLNSCJFHGR-UZYOAWRESA-N 0 0 349.356 3.848 10 0 EHAERN Cc1nnc([C@@H](N[C@H](C)c2ccccc2N(C)C)c2ccccc2)[nH]1 ZINC000093944371 1030698752 /nfs/dbraw/zinc/69/87/52/1030698752.db2.gz GLJNFCFHQPQQAJ-KUHUBIRLSA-N 0 0 335.455 3.619 10 0 EHAERN C[C@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccncc1 ZINC000171003346 1030711680 /nfs/dbraw/zinc/71/16/80/1030711680.db2.gz KVGAKTUBXUXPCY-AWEZNQCLSA-N 0 0 342.418 3.568 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3ccsc3)C2)c1 ZINC000157669183 1030730751 /nfs/dbraw/zinc/73/07/51/1030730751.db2.gz PDBHYCLTRYDXQM-GFCCVEGCSA-N 0 0 332.425 3.787 10 0 EHAERN CC(C)Oc1cccc(C=CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000171398629 1030757442 /nfs/dbraw/zinc/75/74/42/1030757442.db2.gz SSOGEUJHCDNPRY-KBOKABMXSA-N 0 0 339.439 3.616 10 0 EHAERN CC(C)[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172194820 1030846483 /nfs/dbraw/zinc/84/64/83/1030846483.db2.gz SNGZEWVNNZYZIT-MRXNPFEDSA-N 0 0 348.512 3.637 10 0 EHAERN O=C([C@H]1CSc2ccccc21)N1CCC(Cc2ccccn2)CC1 ZINC000172380519 1030940234 /nfs/dbraw/zinc/94/02/34/1030940234.db2.gz WUOUWJJDARIJEP-SFHVURJKSA-N 0 0 338.476 3.752 10 0 EHAERN CCn1cc(C2CCN(C(=O)N[C@H](C)c3cc(C)oc3C)CC2)cn1 ZINC000157954015 1030986454 /nfs/dbraw/zinc/98/64/54/1030986454.db2.gz XPKAGFAVONASJB-CQSZACIVSA-N 0 0 344.459 3.763 10 0 EHAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000173064346 1031020702 /nfs/dbraw/zinc/02/07/02/1031020702.db2.gz GCNXCHQTGDVYTN-ZDUSSCGKSA-N 0 0 343.496 3.593 10 0 EHAERN Cc1c(C(=O)N2CCC[C@H]2c2ccccc2)cccc1N1CCNC1=O ZINC000173005507 1031042602 /nfs/dbraw/zinc/04/26/02/1031042602.db2.gz YHEOBFYYFGCGSA-IBGZPJMESA-N 0 0 349.434 3.502 10 0 EHAERN CSc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)o1 ZINC000174075874 1031163685 /nfs/dbraw/zinc/16/36/85/1031163685.db2.gz DTSFRYQJYFTZCW-UHFFFAOYSA-N 0 0 334.416 3.857 10 0 EHAERN O=C(c1cccc(-n2cccn2)c1)N1CC=C(c2ccccc2)CC1 ZINC000116618767 1031257212 /nfs/dbraw/zinc/25/72/12/1031257212.db2.gz CQWMMQZVSZHWHQ-UHFFFAOYSA-N 0 0 329.403 3.802 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000155957249 1031272086 /nfs/dbraw/zinc/27/20/86/1031272086.db2.gz DTFHZVBFNVDDLE-LSDHHAIUSA-N 0 0 332.492 3.959 10 0 EHAERN Cc1nccn1-c1ncccc1NC(=O)C/C=C/c1ccccc1F ZINC000175637629 1031322974 /nfs/dbraw/zinc/32/29/74/1031322974.db2.gz SWUXHYKRHMLFPW-QPJJXVBHSA-N 0 0 336.370 3.757 10 0 EHAERN C[S@](=O)c1ccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000175767490 1031375323 /nfs/dbraw/zinc/37/53/23/1031375323.db2.gz NKCGUADYEKDSQV-MRTUKWCHSA-N 0 0 348.390 3.667 10 0 EHAERN CCc1nnc(-c2ccc(NC(=O)[C@@H]3Oc4ccccc4[C@@H]3C)cc2)o1 ZINC000175810182 1031382360 /nfs/dbraw/zinc/38/23/60/1031382360.db2.gz KAYGWYVMIOUKOK-KPZWWZAWSA-N 0 0 349.390 3.802 10 0 EHAERN CC(C)OCc1cccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000176348767 1031427950 /nfs/dbraw/zinc/42/79/50/1031427950.db2.gz ONLIQICFUIUUBO-SFHVURJKSA-N 0 0 342.443 3.505 10 0 EHAERN O=C(c1c(O)cnc2ccccc21)N1CC=C(c2ccc(O)cc2)CC1 ZINC000176631747 1031467951 /nfs/dbraw/zinc/46/79/51/1031467951.db2.gz KEBISNUZKDHFSY-UHFFFAOYSA-N 0 0 346.386 3.576 10 0 EHAERN CC1(C)CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000176803206 1031487650 /nfs/dbraw/zinc/48/76/50/1031487650.db2.gz WBYYGXFAFNSWPP-MRXNPFEDSA-N 0 0 348.512 3.685 10 0 EHAERN CC(C)[C@@H](NC(=O)[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000176850994 1031495685 /nfs/dbraw/zinc/49/56/85/1031495685.db2.gz ZLNPGGPXESJHMJ-GDBMZVCRSA-N 0 0 333.382 3.552 10 0 EHAERN COc1cc(F)c(C(=O)N2CCC(c3ccccc3)CC2)cc1OC ZINC000178063621 1031618639 /nfs/dbraw/zinc/61/86/39/1031618639.db2.gz RYUFPEOLZIWUKW-UHFFFAOYSA-N 0 0 343.398 3.863 10 0 EHAERN CC[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cccs1 ZINC000178700843 1031716860 /nfs/dbraw/zinc/71/68/60/1031716860.db2.gz HYNRUBSXCPGGJF-HNNXBMFYSA-N 0 0 346.500 3.597 10 0 EHAERN Cc1noc(C)c1[C@H](C)CNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000178925438 1031719416 /nfs/dbraw/zinc/71/94/16/1031719416.db2.gz ZUGFWGNSENTWCJ-VIFMHJITSA-N 0 0 331.460 3.519 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC(C)(C)C3)CC2)nc1 ZINC000178953104 1031722587 /nfs/dbraw/zinc/72/25/87/1031722587.db2.gz GQYGSMAPBBBYSE-MRXNPFEDSA-N 0 0 329.488 3.691 10 0 EHAERN O=C(c1cc(F)cc2cccnc21)N1CCC(Cc2ccccn2)CC1 ZINC000179488393 1031779359 /nfs/dbraw/zinc/77/93/59/1031779359.db2.gz SZDUXGLBEXZNPO-UHFFFAOYSA-N 0 0 349.409 3.864 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000117674941 1031794249 /nfs/dbraw/zinc/79/42/49/1031794249.db2.gz LRUGLDWIVROALR-DOMZBBRYSA-N 0 0 328.437 3.593 10 0 EHAERN Cc1c([C@H](C)Nc2ccc3c(c2)N(C)CCO3)cnn1-c1ccccn1 ZINC000179897919 1031819060 /nfs/dbraw/zinc/81/90/60/1031819060.db2.gz KHMAZRBQOCHOOF-AWEZNQCLSA-N 0 0 349.438 3.577 10 0 EHAERN COc1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000180063634 1031836291 /nfs/dbraw/zinc/83/62/91/1031836291.db2.gz JUGHPEFWWIBPSA-GOSISDBHSA-N 0 0 333.815 3.628 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000117745342 1031844699 /nfs/dbraw/zinc/84/46/99/1031844699.db2.gz VCVDIGZBSZICQH-SGTLLEGYSA-N 0 0 338.432 3.819 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(N(C)C)c3C)CCO2)o1 ZINC000180153100 1031860517 /nfs/dbraw/zinc/86/05/17/1031860517.db2.gz VLTOGQVGOVVGFA-GOSISDBHSA-N 0 0 343.427 3.568 10 0 EHAERN CC[C@H](C)Oc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccn1 ZINC000180250773 1031870885 /nfs/dbraw/zinc/87/08/85/1031870885.db2.gz FVGKTDLEXGGLKJ-ZFWWWQNUSA-N 0 0 345.468 3.735 10 0 EHAERN CCc1ccc(NC(=O)N2CCC[C@@H](Cc3nccn3C)C2)cc1F ZINC000159120324 1031880947 /nfs/dbraw/zinc/88/09/47/1031880947.db2.gz POWIBKHNSGZXSH-AWEZNQCLSA-N 0 0 344.434 3.608 10 0 EHAERN Cc1cc([C@H](C)N[C@@H]2CCCn3ncnc32)ccc1Br ZINC000180731132 1031903263 /nfs/dbraw/zinc/90/32/63/1031903263.db2.gz IVXMRYSIEISPLJ-SMDDNHRTSA-N 0 0 335.249 3.535 10 0 EHAERN Cc1cc(C)c(C(=O)NC[C@@H]2CCOc3ccccc32)c(Cl)n1 ZINC000181977992 1032050051 /nfs/dbraw/zinc/05/00/51/1032050051.db2.gz KVJWHTMICXRTGQ-ZDUSSCGKSA-N 0 0 330.815 3.648 10 0 EHAERN O=C(N[C@H]1CCSc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000172516106 1033302039 /nfs/dbraw/zinc/30/20/39/1033302039.db2.gz RVLNHJNXCNJVPC-INIZCTEOSA-N 0 0 342.468 3.536 10 0 EHAERN CC(C)C[C@H]1CCCN(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)C1 ZINC000158779835 1033335307 /nfs/dbraw/zinc/33/53/07/1033335307.db2.gz RZHLCUDGSCBAIB-CVEARBPZSA-N 0 0 347.507 3.704 10 0 EHAERN O=C(N[C@@H]1CCSc2ccccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246918235 1033520196 /nfs/dbraw/zinc/52/01/96/1033520196.db2.gz GGTCQJDRIPEUHO-GMBSWORKSA-N 0 0 346.496 3.560 10 0 EHAERN O=C(/C=C/c1nc2ccccc2s1)Nc1cccc(-c2ncon2)c1 ZINC000101526136 1033737304 /nfs/dbraw/zinc/73/73/04/1033737304.db2.gz BSVZEBCYFXFIQC-CMDGGOBGSA-N 0 0 348.387 3.998 10 0 EHAERN c1cn(-c2ccccc2)nc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185878072 1035555802 /nfs/dbraw/zinc/55/58/02/1035555802.db2.gz SNPMCZJCSBHXCE-UHFFFAOYSA-N 0 0 341.418 3.619 10 0 EHAERN C[C@@]1(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CC1(Cl)Cl ZINC000186198580 1035601264 /nfs/dbraw/zinc/60/12/64/1035601264.db2.gz XBVJZQDYBBBQNB-JSGCOSHPSA-N 0 0 348.657 3.824 10 0 EHAERN C[C@@H](C(=O)N1CCCN(c2ccccn2)CC1)c1ccc(Cl)s1 ZINC000186409460 1035629670 /nfs/dbraw/zinc/62/96/70/1035629670.db2.gz RHTCINAIDWQYQY-CYBMUJFWSA-N 0 0 349.887 3.639 10 0 EHAERN COc1cc(C)c(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1F ZINC000186856164 1035730676 /nfs/dbraw/zinc/73/06/76/1035730676.db2.gz FPEBJXZNGHBFTL-QGZVFWFLSA-N 0 0 348.374 3.650 10 0 EHAERN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C=O)cc1 ZINC000187033169 1035743153 /nfs/dbraw/zinc/74/31/53/1035743153.db2.gz NYULWYOYBCKJPP-UGSOOPFHSA-N 0 0 343.810 3.755 10 0 EHAERN COc1cnccc1[C@@H](C)NCc1ncc(-c2cccc(F)c2)o1 ZINC000187014886 1035743600 /nfs/dbraw/zinc/74/36/00/1035743600.db2.gz DGTWDLBKRGWDHL-GFCCVEGCSA-N 0 0 327.359 3.735 10 0 EHAERN Cc1nn(C)cc1N[C@H]1CCCOc2c(Br)cccc21 ZINC000187767656 1035859835 /nfs/dbraw/zinc/85/98/35/1035859835.db2.gz FGWDXKZGIWFLSG-ZDUSSCGKSA-N 0 0 336.233 3.817 10 0 EHAERN Cc1ccc(N2CCC(C(=O)Nc3ccsc3Cl)CC2)nc1 ZINC000187892575 1035867698 /nfs/dbraw/zinc/86/76/98/1035867698.db2.gz HIBOVUQDVMZFDQ-UHFFFAOYSA-N 0 0 335.860 3.960 10 0 EHAERN NC(=O)c1csc(CN2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000188044956 1035885403 /nfs/dbraw/zinc/88/54/03/1035885403.db2.gz LXCMBKZEYRPVOR-LLVKDONJSA-N 0 0 336.407 3.505 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@H]2CCOc3c(C)cccc32)c(Cl)n1 ZINC000188098469 1035894637 /nfs/dbraw/zinc/89/46/37/1035894637.db2.gz CMZJRBWYZKLTOO-AWEZNQCLSA-N 0 0 330.815 3.914 10 0 EHAERN Cc1ccc(F)cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188342875 1035911692 /nfs/dbraw/zinc/91/16/92/1035911692.db2.gz VEDIQUZWRHNVNN-UHFFFAOYSA-N 0 0 334.420 3.699 10 0 EHAERN CC(=O)Nc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1C ZINC000188522148 1035944419 /nfs/dbraw/zinc/94/44/19/1035944419.db2.gz AFTLLTOBYRVJDZ-UHFFFAOYSA-N 0 0 340.448 3.944 10 0 EHAERN CCC(CC)c1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)on1 ZINC000188740960 1035961247 /nfs/dbraw/zinc/96/12/47/1035961247.db2.gz HXEWOZJIXXTEBY-GFCCVEGCSA-N 0 0 345.447 3.510 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1c(Cl)ccc(Cl)c1Cl ZINC000188698504 1035971146 /nfs/dbraw/zinc/97/11/46/1035971146.db2.gz YIWYKCMOBQZIJD-ONOSFVFSSA-N 0 0 334.630 3.944 10 0 EHAERN C[C@H]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)c2ccccc21 ZINC000332694411 1035987735 /nfs/dbraw/zinc/98/77/35/1035987735.db2.gz GOAWVECEUXQCMG-GUYCJALGSA-N 0 0 340.423 3.937 10 0 EHAERN Cc1nnc([C@H](NCc2ccc(Cl)cc2F)c2ccccc2)[nH]1 ZINC000189311018 1036057111 /nfs/dbraw/zinc/05/71/11/1036057111.db2.gz YPLVYDHIQSIKOI-MRXNPFEDSA-N 0 0 330.794 3.785 10 0 EHAERN Cc1cnc([C@H](C)NC(=O)N[C@H]2CCCc3c(O)cccc32)s1 ZINC000189476938 1036069153 /nfs/dbraw/zinc/06/91/53/1036069153.db2.gz GJBLGBSOUUOSQV-FZMZJTMJSA-N 0 0 331.441 3.595 10 0 EHAERN O=C(c1cc(Cl)ccc1[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000189805512 1036146301 /nfs/dbraw/zinc/14/63/01/1036146301.db2.gz SYRDOUFGEPKYJK-UHFFFAOYSA-N 0 0 343.810 3.754 10 0 EHAERN COc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1F ZINC000189821421 1036149829 /nfs/dbraw/zinc/14/98/29/1036149829.db2.gz LIIFAYVJQKAVQO-UHFFFAOYSA-N 0 0 341.382 3.543 10 0 EHAERN CC(C)CCC[C@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189909248 1036162527 /nfs/dbraw/zinc/16/25/27/1036162527.db2.gz KHADRQRSJXSLJU-AWEZNQCLSA-N 0 0 338.521 3.944 10 0 EHAERN CCCCCC[C@H](C)NC(=O)N1CCOC[C@@H]1c1nc(C)cs1 ZINC000189959551 1036168370 /nfs/dbraw/zinc/16/83/70/1036168370.db2.gz WVLMDCDFZMJONK-DZGCQCFKSA-N 0 0 339.505 3.893 10 0 EHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)C[C@H]1C ZINC000248876221 1036185706 /nfs/dbraw/zinc/18/57/06/1036185706.db2.gz FGSBNMCXFRBWIC-KBAYOESNSA-N 0 0 346.471 3.614 10 0 EHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2csc3ccccc23)C1 ZINC000190106075 1036194718 /nfs/dbraw/zinc/19/47/18/1036194718.db2.gz BBPFUVJGJCLXEQ-HIFRSBDPSA-N 0 0 329.425 3.555 10 0 EHAERN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190286042 1036218564 /nfs/dbraw/zinc/21/85/64/1036218564.db2.gz SAOGVHARMQWRKS-CQSZACIVSA-N 0 0 348.393 3.908 10 0 EHAERN Cc1noc(C)c1CNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190341389 1036227588 /nfs/dbraw/zinc/22/75/88/1036227588.db2.gz DDUFCRASGLUYRD-CYBMUJFWSA-N 0 0 349.381 3.659 10 0 EHAERN C[C@@H](Cc1ccccc1F)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190421731 1036237401 /nfs/dbraw/zinc/23/74/01/1036237401.db2.gz VPIZYENOKVGOAI-ZDUSSCGKSA-N 0 0 347.459 3.564 10 0 EHAERN C[C@@H]1OCC[C@@]1(C)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332854192 1036310607 /nfs/dbraw/zinc/31/06/07/1036310607.db2.gz HJVAHEKCJDVYJS-ZSZQSSIHSA-N 0 0 344.455 3.690 10 0 EHAERN C[C@H](NC(=O)N[C@H]1c2ccccc2CCC1(C)C)[C@H]1CCCOC1 ZINC000332856320 1036320193 /nfs/dbraw/zinc/32/01/93/1036320193.db2.gz XSHCGRAJHVNNCG-ZVZYQTTQSA-N 0 0 330.472 3.814 10 0 EHAERN O=C(c1cc(C2CC2)on1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191204353 1036347503 /nfs/dbraw/zinc/34/75/03/1036347503.db2.gz ZTAGJHBSVATVPV-GFCCVEGCSA-N 0 0 332.350 3.850 10 0 EHAERN C[C@]1(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCO[C@@H]1C1CC1 ZINC000332875200 1036368836 /nfs/dbraw/zinc/36/88/36/1036368836.db2.gz SDRACCJAKOGRSW-VPWXQRGCSA-N 0 0 344.455 3.546 10 0 EHAERN CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000191489651 1036392010 /nfs/dbraw/zinc/39/20/10/1036392010.db2.gz VYOIDJLRYBQGCV-GFCCVEGCSA-N 0 0 332.350 3.515 10 0 EHAERN C[C@H]1CC(CNC(=O)NC2(Cc3cccc(F)c3)CCC2)C[C@H](C)O1 ZINC000332926242 1036576671 /nfs/dbraw/zinc/57/66/71/1036576671.db2.gz KDWLQIXOVKUZNR-GJZGRUSLSA-N 0 0 348.462 3.794 10 0 EHAERN C[C@@H](c1ccccc1)N(C)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193248890 1036583905 /nfs/dbraw/zinc/58/39/05/1036583905.db2.gz MYEVRKIJGREETP-YOEHRIQHSA-N 0 0 337.423 3.515 10 0 EHAERN CC[C@H](C(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000193339674 1036594608 /nfs/dbraw/zinc/59/46/08/1036594608.db2.gz DXRJKXZMIWZRLV-ZWKOTPCHSA-N 0 0 334.423 3.513 10 0 EHAERN CC(C)COCCCNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103177868 1036848155 /nfs/dbraw/zinc/84/81/55/1036848155.db2.gz OAYZXPKXDBSLLT-LJQANCHMSA-N 0 0 341.455 3.533 10 0 EHAERN CC(=O)N[C@@H](CC(=O)N(C(C)C)C1CCCCC1)c1ccccc1 ZINC000103390705 1036898429 /nfs/dbraw/zinc/89/84/29/1036898429.db2.gz OZWBBNFMJGIFBJ-IBGZPJMESA-N 0 0 330.472 3.824 10 0 EHAERN CC[C@@H](CC(=O)NCc1cc(OC)c(O)c(OC)c1)c1ccccc1 ZINC000103521053 1036918048 /nfs/dbraw/zinc/91/80/48/1036918048.db2.gz ZZRZTKRLHXYOTE-HNNXBMFYSA-N 0 0 343.423 3.610 10 0 EHAERN O=C([C@@H]1CCCc2c(O)cccc21)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000248892522 1037054587 /nfs/dbraw/zinc/05/45/87/1037054587.db2.gz KACUMWASYGVVNV-KURKYZTESA-N 0 0 341.451 3.562 10 0 EHAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1ccc(-c2ccccc2)cc1 ZINC000105677225 1037237157 /nfs/dbraw/zinc/23/71/57/1037237157.db2.gz PKKNTBSEQMPFNM-DEOSSOPVSA-N 0 0 343.492 3.907 10 0 EHAERN COC(=O)CC[C@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000105988355 1037291353 /nfs/dbraw/zinc/29/13/53/1037291353.db2.gz RJQDGNFYWMJAMX-SFHVURJKSA-N 0 0 348.402 3.659 10 0 EHAERN CC(C)(CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)Cc1ccccc1 ZINC000126564588 1037369395 /nfs/dbraw/zinc/36/93/95/1037369395.db2.gz YGTZJKNSFJTTDE-GHTZIAJQSA-N 0 0 344.499 3.592 10 0 EHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)c1ccncc1)CCC2 ZINC000111798191 1037741895 /nfs/dbraw/zinc/74/18/95/1037741895.db2.gz SSKWIHHGQMJSDB-NHYWBVRUSA-N 0 0 330.457 3.627 10 0 EHAERN C[C@@H](c1ccc(F)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112351996 1037759702 /nfs/dbraw/zinc/75/97/02/1037759702.db2.gz RGZBNUCWMXAFDG-AWEZNQCLSA-N 0 0 332.444 3.796 10 0 EHAERN COc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000114805035 1037809769 /nfs/dbraw/zinc/80/97/69/1037809769.db2.gz AIFUYQNIBYUCAA-GFCCVEGCSA-N 0 0 347.440 3.572 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)Cc3ccc(C)s3)CCO2)o1 ZINC000119962001 1037917689 /nfs/dbraw/zinc/91/76/89/1037917689.db2.gz AFAPRNIWFNDBCE-PXAZEXFGSA-N 0 0 348.468 3.672 10 0 EHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000156463840 1038883883 /nfs/dbraw/zinc/88/38/83/1038883883.db2.gz OMVWKFFFQCMJQE-LRDDRELGSA-N 0 0 349.862 3.838 10 0 EHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112890757 1039031218 /nfs/dbraw/zinc/03/12/18/1039031218.db2.gz FMESRTQOFPOHDM-LSDHHAIUSA-N 0 0 341.317 3.757 10 0 EHAERN CC1(C)[C@H](NC(=O)NCc2cc(Cl)sc2Cl)[C@@H]2CCO[C@@H]21 ZINC000408084442 1039055775 /nfs/dbraw/zinc/05/57/75/1039055775.db2.gz PTYJEWMPRPZCES-GDPRMGEGSA-N 0 0 349.283 3.668 10 0 EHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000408407819 1039412539 /nfs/dbraw/zinc/41/25/39/1039412539.db2.gz XWUFUZZSUBMWKO-JKIFEVAISA-N 0 0 343.471 3.634 10 0 EHAERN Cc1ccc2c(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)coc2c1C ZINC000151079909 1039725637 /nfs/dbraw/zinc/72/56/37/1039725637.db2.gz VXBDHMOMPBTCBF-UTKZUKDTSA-N 0 0 341.451 3.746 10 0 EHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000153023311 1040363924 /nfs/dbraw/zinc/36/39/24/1040363924.db2.gz PWXJSBYCFJXRRZ-ZVZYQTTQSA-N 0 0 330.472 3.550 10 0 EHAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000245726220 1040458458 /nfs/dbraw/zinc/45/84/58/1040458458.db2.gz SAOWNARQZNROMY-XPKDYRNWSA-N 0 0 342.464 3.965 10 0 EHAERN CC(C)c1nnc2ccc(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@H]43)cn21 ZINC000333169719 1041395234 /nfs/dbraw/zinc/39/52/34/1041395234.db2.gz JCHKCYIPOWJJMB-HUUCEWRRSA-N 0 0 341.459 3.895 10 0 EHAERN CC1(C)C[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C(C)(C)O1 ZINC000408140106 1041777428 /nfs/dbraw/zinc/77/74/28/1041777428.db2.gz IQOCJKZOSFNKCS-HTAVTVPLSA-N 0 0 336.398 3.753 10 0 EHAERN C[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000408172106 1042104594 /nfs/dbraw/zinc/10/45/94/1042104594.db2.gz RVBOTIPYZQECOY-QOLSXCEWSA-N 0 0 344.455 3.861 10 0 EHAERN CCC1CCC2(CC1)NC(=O)N([C@@H]1CCOc3ccccc31)C2=O ZINC000330249797 1042511308 /nfs/dbraw/zinc/51/13/08/1042511308.db2.gz GVIZGSOWUZBTJZ-SHBDPFAUSA-N 0 0 328.412 3.605 10 0 EHAERN Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)c(C)n1C(C)C ZINC000162558854 1042738726 /nfs/dbraw/zinc/73/87/26/1042738726.db2.gz LSUDSKYAIRBUHM-UHFFFAOYSA-N 0 0 342.487 3.514 10 0 EHAERN CCC1CCC(c2noc(C3CCN(C(=O)N(C)C)CC3)n2)CC1 ZINC000408225853 1042762685 /nfs/dbraw/zinc/76/26/85/1042762685.db2.gz LTYKLIWAQDYYSS-UHFFFAOYSA-N 0 0 334.464 3.614 10 0 EHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3cc(C)cc(C)n3)C2)n1 ZINC000408241094 1042839490 /nfs/dbraw/zinc/83/94/90/1042839490.db2.gz SHPDLAPDUGVZJX-AWEZNQCLSA-N 0 0 330.457 3.875 10 0 EHAERN C[C@@H](NC(=O)N1CCC2(C1)CCOCC2)c1cc2cccc(F)c2o1 ZINC000408298823 1042992188 /nfs/dbraw/zinc/99/21/88/1042992188.db2.gz RBBCMEIWGQKKBB-CYBMUJFWSA-N 0 0 346.402 3.845 10 0 EHAERN Cc1c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)sc2nccc(C)c12 ZINC000408349821 1043535897 /nfs/dbraw/zinc/53/58/97/1043535897.db2.gz MHVAMMLBKJLISO-IFXJQAMLSA-N 0 0 344.480 3.680 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000162716918 1043772520 /nfs/dbraw/zinc/77/25/20/1043772520.db2.gz OJKRZJDAVVFTDH-UHFFFAOYSA-N 0 0 332.835 3.560 10 0 EHAERN C[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)C(C)(C)C ZINC000112463842 1044607902 /nfs/dbraw/zinc/60/79/02/1044607902.db2.gz JNFVHCKOSFREIY-ZDUSSCGKSA-N 0 0 328.460 3.887 10 0 EHAERN C[C@H](CNC(=O)N(C)C[C@H]1CCCO1)c1c(Cl)cccc1Cl ZINC000102905672 1127780301 /nfs/dbraw/zinc/78/03/01/1127780301.db2.gz IFIKRAHQAQYZKB-VXGBXAGGSA-N 0 0 345.270 3.917 10 0 EHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000268321991 1128494117 /nfs/dbraw/zinc/49/41/17/1128494117.db2.gz KHTSVDWKEKTAKZ-MRXNPFEDSA-N 0 0 340.427 3.503 10 0 EHAERN O=C(C/C=C\c1ccc(F)cc1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000588490031 1129463553 /nfs/dbraw/zinc/46/35/53/1129463553.db2.gz WQTGGPMLEOYFPU-VKUXZERMSA-N 0 0 337.394 3.887 10 0 EHAERN COc1ccc2nc(C(=O)OCc3ccnc(Cl)c3)ccc2c1 ZINC000101964201 1135434867 /nfs/dbraw/zinc/43/48/67/1135434867.db2.gz MSHHXDPFKBIZSG-UHFFFAOYSA-N 0 0 328.755 3.649 10 0 EHAERN Cc1cc(C)c(NS(=O)(=O)c2cccc3ncccc32)c(C)c1 ZINC000102319705 1135521834 /nfs/dbraw/zinc/52/18/34/1135521834.db2.gz RMUSKSOWBVRERQ-UHFFFAOYSA-N 0 0 326.421 3.961 10 0 EHAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCCc1cccnc1 ZINC000105555823 1135953586 /nfs/dbraw/zinc/95/35/86/1135953586.db2.gz ITFGBWKIPFOYEP-NSHDSACASA-N 0 0 340.206 3.942 10 0 EHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000101950326 1137872183 /nfs/dbraw/zinc/87/21/83/1137872183.db2.gz COVIETCVGPOABO-OAHLLOKOSA-N 0 0 340.814 3.979 10 0 EHAERN CCCCC[C@@H](NC(=O)NCCc1nc(C)no1)c1ccccc1 ZINC000102782810 1137873920 /nfs/dbraw/zinc/87/39/20/1137873920.db2.gz UUALEOISEKNATA-MRXNPFEDSA-N 0 0 330.432 3.541 10 0 EHAERN CC(C)N(C(=O)c1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1 ZINC000103005978 1137874876 /nfs/dbraw/zinc/87/48/76/1137874876.db2.gz SXGHHXHDNCGWDA-UHFFFAOYSA-N 0 0 328.387 3.583 10 0 EHAERN CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)s1 ZINC000333230895 1137958882 /nfs/dbraw/zinc/95/88/82/1137958882.db2.gz YGHGXWAUYBGPKA-MQYQWHSLSA-N 0 0 342.530 3.525 10 0 EHAERN CC[C@H]1CN(C(=O)Nc2ncc(OC)cn2)CC[C@@H]1c1ccccc1 ZINC000333233928 1137958968 /nfs/dbraw/zinc/95/89/68/1137958968.db2.gz YPJVDVNBMZRWGL-YOEHRIQHSA-N 0 0 340.427 3.533 10 0 EHAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000184583534 1140109910 /nfs/dbraw/zinc/10/99/10/1140109910.db2.gz IEAHWUIHFOCQAH-BBRMVZONSA-N 0 0 343.431 3.741 10 0 EHAERN CCSc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000185431855 1140149843 /nfs/dbraw/zinc/14/98/43/1140149843.db2.gz DISYGGROPJAFCD-CQSZACIVSA-N 0 0 331.445 3.676 10 0 EHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CCOc3ccccc32)cs1 ZINC000186258624 1140195145 /nfs/dbraw/zinc/19/51/45/1140195145.db2.gz ZBJUFQNUXFPWFY-GOEBONIOSA-N 0 0 343.452 3.822 10 0 EHAERN CCCCOCCCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186257985 1140195192 /nfs/dbraw/zinc/19/51/92/1140195192.db2.gz VBQNHADHWHVXKK-HNNXBMFYSA-N 0 0 325.478 3.505 10 0 EHAERN Cc1nc(COc2ccc(Br)cc2[C@@H](C)O)cs1 ZINC000052068324 214114788 /nfs/dbraw/zinc/11/47/88/214114788.db2.gz NJRYIOMHZROLGZ-MRVPVSSYSA-N 0 0 328.231 3.846 10 0 EHAERN Cc1cc(S[C@H](C)C(=O)c2ccc(Br)cc2)n(C)n1 ZINC000052310975 214125688 /nfs/dbraw/zinc/12/56/88/214125688.db2.gz RYQRTIHKVPIAFF-SNVBAGLBSA-N 0 0 339.258 3.855 10 0 EHAERN COCCN[C@@H](c1nc(C)cs1)c1ccccc1Br ZINC000053288800 214174784 /nfs/dbraw/zinc/17/47/84/214174784.db2.gz LZLKLUYTZPAMSA-CYBMUJFWSA-N 0 0 341.274 3.539 10 0 EHAERN O[C@@H](Cc1cccc(F)c1)Cc1cc(Br)ccc1F ZINC000053785393 214197761 /nfs/dbraw/zinc/19/77/61/214197761.db2.gz MAWOSDURHYWMDB-AWEZNQCLSA-N 0 0 327.168 3.873 10 0 EHAERN CCOc1cc2nc(C)cc(OCC(=O)OC(C)C)c2cc1OCC ZINC000053994706 214210162 /nfs/dbraw/zinc/21/01/62/214210162.db2.gz CJPRQULVHAHGJW-UHFFFAOYSA-N 0 0 347.411 3.671 10 0 EHAERN Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)c(OCC(F)(F)F)c1 ZINC000056660459 214383293 /nfs/dbraw/zinc/38/32/93/214383293.db2.gz FUNXRYLGUQYURX-DGCLKSJQSA-N 0 0 346.349 3.625 10 0 EHAERN COc1ccc(Br)cc1CSc1ccc(N)nc1 ZINC000049596401 214021010 /nfs/dbraw/zinc/02/10/10/214021010.db2.gz CNSBUFAZXBFHGK-UHFFFAOYSA-N 0 0 325.231 3.727 10 0 EHAERN CC[C@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cccc(N)c1 ZINC000098091952 219082985 /nfs/dbraw/zinc/08/29/85/219082985.db2.gz RHHQJRJVLJCKLK-KDOFPFPSSA-N 0 0 338.407 3.873 10 0 EHAERN Cc1nn(-c2ccc(C(N)=S)c(Cl)c2)c(C)c1Br ZINC000061850354 214680929 /nfs/dbraw/zinc/68/09/29/214680929.db2.gz LQXACUZBLRDMOK-UHFFFAOYSA-N 0 0 344.665 3.539 10 0 EHAERN O=C(c1cccnc1)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000064678086 214800672 /nfs/dbraw/zinc/80/06/72/214800672.db2.gz KCZPWOJARXTCCE-UHFFFAOYSA-N 0 0 328.387 3.542 10 0 EHAERN O=C(/C=C\c1cccs1)NCCn1ccc(-c2cccs2)n1 ZINC000101323410 219122649 /nfs/dbraw/zinc/12/26/49/219122649.db2.gz IDEWIWVCNSJHJU-WAYWQWQTSA-N 0 0 329.450 3.503 10 0 EHAERN O=C(Cc1cccc(F)c1)NC[C@@]1(c2ccccc2)CCCOCC1 ZINC000065226124 214846425 /nfs/dbraw/zinc/84/64/25/214846425.db2.gz YFEXGGMAZVIKPJ-OAQYLSRUSA-N 0 0 341.426 3.623 10 0 EHAERN FC(F)(F)c1cc(Br)ccc1-n1cnnc1Cl ZINC000103921029 219329657 /nfs/dbraw/zinc/32/96/57/219329657.db2.gz NNUCNYFRVFZOID-UHFFFAOYSA-N 0 0 326.503 3.702 10 0 EHAERN O=C(Nc1ccnc2ccc(Br)cc21)c1ccncc1 ZINC000041057910 213412940 /nfs/dbraw/zinc/41/29/40/213412940.db2.gz NKALFPLATMRNFL-UHFFFAOYSA-N 0 0 328.169 3.645 10 0 EHAERN [NH3+]Cc1c(Sc2cccc(Br)c2)nc2sccn21 ZINC000104294672 219372008 /nfs/dbraw/zinc/37/20/08/219372008.db2.gz OSVDQDLPBDMFII-UHFFFAOYSA-N 0 0 340.271 3.768 10 0 EHAERN COc1ccc(NC(=O)c2ccc(OC(=O)C=C(C)C)cc2)cc1 ZINC000040882749 213396970 /nfs/dbraw/zinc/39/69/70/213396970.db2.gz KSTZFFFWPZOPSF-UHFFFAOYSA-N 0 0 325.364 3.819 10 0 EHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779362 213385782 /nfs/dbraw/zinc/38/57/82/213385782.db2.gz FKITXZAIKBLGMW-UHFFFAOYSA-N 0 0 330.754 3.734 10 0 EHAERN Nc1c(Nc2nccs2)ncnc1Nc1nc2ccccc2s1 ZINC000040761003 213384347 /nfs/dbraw/zinc/38/43/47/213384347.db2.gz BCFUOBQFQHWZOD-UHFFFAOYSA-N 0 0 341.425 3.612 10 0 EHAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1-n1cnc2ccccc21 ZINC000040782234 213387416 /nfs/dbraw/zinc/38/74/16/213387416.db2.gz KWIRKJKCGTUTPM-UHFFFAOYSA-N 0 0 336.786 3.795 10 0 EHAERN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1CCCc1nc2ccccc2o1 ZINC000069157723 215366040 /nfs/dbraw/zinc/36/60/40/215366040.db2.gz PWIAPABYWBDDQW-GDBMZVCRSA-N 0 0 349.434 3.628 10 0 EHAERN CCC(CC)[C@H](C)NS(=O)(=O)c1ccc(C)cc1Br ZINC000104434698 219386972 /nfs/dbraw/zinc/38/69/72/219386972.db2.gz HQYDSJNEQGCITF-NSHDSACASA-N 0 0 348.306 3.861 10 0 EHAERN COc1ccc(OC)c([C@H](O)c2ccc(Br)s2)c1 ZINC000040244854 213285234 /nfs/dbraw/zinc/28/52/34/213285234.db2.gz QNNSEDJJFVBXRT-ZDUSSCGKSA-N 0 0 329.215 3.610 10 0 EHAERN COc1cccc(-c2nc3ccccc3n2CC(=O)N2CCCCC2)c1 ZINC000040250224 213285022 /nfs/dbraw/zinc/28/50/22/213285022.db2.gz WSTBZNQMFGAVMJ-UHFFFAOYSA-N 0 0 349.434 3.724 10 0 EHAERN Cc1cccc(OCc2nc3ccccc3n2CC(=O)OC(C)C)c1 ZINC000040234282 213283268 /nfs/dbraw/zinc/28/32/68/213283268.db2.gz HMNKQICNQUNWPK-UHFFFAOYSA-N 0 0 338.407 3.875 10 0 EHAERN CC(C)NC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000040180299 213280920 /nfs/dbraw/zinc/28/09/20/213280920.db2.gz XQOULOSNKSCQSB-UHFFFAOYSA-N 0 0 340.814 3.726 10 0 EHAERN CC(C)N(C(=O)[C@H]1C[C@@H]1c1ccco1)c1ccc(Br)cn1 ZINC000069529712 215462048 /nfs/dbraw/zinc/46/20/48/215462048.db2.gz FCNQTCZFFIPLRJ-STQMWFEESA-N 0 0 349.228 3.982 10 0 EHAERN Cc1cc(Cl)ccc1NC(=O)c1cn(C)c2c(F)cccc2c1=O ZINC000039963045 213246988 /nfs/dbraw/zinc/24/69/88/213246988.db2.gz RVNNLIUGTZUNOX-UHFFFAOYSA-N 0 0 344.773 3.892 10 0 EHAERN O=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1ccncc1 ZINC000038928875 213230561 /nfs/dbraw/zinc/23/05/61/213230561.db2.gz YHEJEPYTCAGKER-UHFFFAOYSA-N 0 0 339.782 3.961 10 0 EHAERN Cc1noc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000038034458 213194406 /nfs/dbraw/zinc/19/44/06/213194406.db2.gz JOKKVXAKBWVPTE-QMMMGPOBSA-N 0 0 336.189 3.738 10 0 EHAERN CN(C)c1ccc(Br)cc1NC(=O)c1ccc(F)cc1 ZINC000037976187 213178529 /nfs/dbraw/zinc/17/85/29/213178529.db2.gz YDKXXDKNEFPBQJ-UHFFFAOYSA-N 0 0 337.192 3.907 10 0 EHAERN COC(=O)[C@@H](NC1CCCCC1)c1ccccc1Br ZINC000037972064 213178049 /nfs/dbraw/zinc/17/80/49/213178049.db2.gz ZIGVMSDVBYIDLB-AWEZNQCLSA-N 0 0 326.234 3.586 10 0 EHAERN COC(=O)CCCNc1ccc(Br)cc1C(F)(F)F ZINC000037518940 213153466 /nfs/dbraw/zinc/15/34/66/213153466.db2.gz OIVBWRYKJQTWRP-UHFFFAOYSA-N 0 0 340.139 3.833 10 0 EHAERN CC[C@@H](N[C@H](C(=O)OC)C(C)C)c1cccc(Br)c1 ZINC000037257107 213138053 /nfs/dbraw/zinc/13/80/53/213138053.db2.gz VABHGZXUPNIMLY-KGLIPLIRSA-N 0 0 328.250 3.687 10 0 EHAERN Cc1c(Cl)cnn1[C@H](C)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000036611042 213100808 /nfs/dbraw/zinc/10/08/08/213100808.db2.gz VKVKGXPPWDSTGI-QLFDAEIZSA-N 0 0 335.879 3.739 10 0 EHAERN COc1cccc(CO[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000036315159 213083314 /nfs/dbraw/zinc/08/33/14/213083314.db2.gz QGOSGKCVRSZXAZ-IBGZPJMESA-N 0 0 325.408 3.517 10 0 EHAERN COc1ccc(OC)c(-c2cc(CN(C(=O)C(C)C)C(C)C)no2)c1 ZINC000036011871 213054803 /nfs/dbraw/zinc/05/48/03/213054803.db2.gz KTFGJIZWMOAPLN-UHFFFAOYSA-N 0 0 346.427 3.752 10 0 EHAERN COc1ccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1N ZINC000072237655 216075960 /nfs/dbraw/zinc/07/59/60/216075960.db2.gz RDACCCBQLSOFOB-UHFFFAOYSA-N 0 0 334.301 3.748 10 0 EHAERN Brc1nn2c3c(nc2s1)CC[C@@H](c1ccccc1)C3 ZINC000037353223 213140917 /nfs/dbraw/zinc/14/09/17/213140917.db2.gz CSJYDUAXQKRVMS-SNVBAGLBSA-N 0 0 334.242 3.826 10 0 EHAERN COC(=O)c1scc(C)c1NC(=O)C(Cl)=C(Cl)Cl ZINC000000159985 209458862 /nfs/dbraw/zinc/45/88/62/209458862.db2.gz XUZOJYVDGYTVAD-UHFFFAOYSA-N 0 0 328.604 3.667 10 0 EHAERN Cc1cccc(N2CN(CCC(C)C)Cn3c(=O)c(C)c(C)nc32)c1 ZINC000072442636 216235132 /nfs/dbraw/zinc/23/51/32/216235132.db2.gz KTMHYCNXDNVWNH-UHFFFAOYSA-N 0 0 340.471 3.583 10 0 EHAERN Cc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2C)cc1C ZINC000072465034 216246484 /nfs/dbraw/zinc/24/64/84/216246484.db2.gz SPLDHDNFTINRLP-UHFFFAOYSA-N 0 0 338.455 3.890 10 0 EHAERN COc1ccccc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000027746263 212576501 /nfs/dbraw/zinc/57/65/01/212576501.db2.gz FNBWFUGILZPZGC-NSHDSACASA-N 0 0 334.213 3.949 10 0 EHAERN C[C@@H](NCc1nccn1C(F)F)c1cccc(Br)c1 ZINC000038012506 213188064 /nfs/dbraw/zinc/18/80/64/213188064.db2.gz AZXJINCAAPOJRO-SECBINFHSA-N 0 0 330.176 3.892 10 0 EHAERN NC(=O)c1sc2c(c1N)c(C(F)(F)F)ccc2-c1ccco1 ZINC000211854445 241086514 /nfs/dbraw/zinc/08/65/14/241086514.db2.gz INGWUHPFFYXYMN-UHFFFAOYSA-N 0 0 326.299 3.861 10 0 EHAERN CCN(CC)c1ccc(NC(=O)c2cc(N)ccc2N(C)C)c(C)c1 ZINC000226324479 242098333 /nfs/dbraw/zinc/09/83/33/242098333.db2.gz GYVNVYWYXCELLR-UHFFFAOYSA-N 0 0 340.471 3.742 10 0 EHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)NC1CCCCCCC1 ZINC000021273499 212218259 /nfs/dbraw/zinc/21/82/59/212218259.db2.gz PKMDAFBINJMOHN-MRXNPFEDSA-N 0 0 332.469 3.719 10 0 EHAERN O=C(NCCc1nc2cccnc2n1C1CCCCC1)c1ccccc1 ZINC000021155606 212213110 /nfs/dbraw/zinc/21/31/10/212213110.db2.gz REPFWIOHYMSLFJ-UHFFFAOYSA-N 0 0 348.450 3.909 10 0 EHAERN C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1)c1ccccc1 ZINC000021159059 212212476 /nfs/dbraw/zinc/21/24/76/212212476.db2.gz IBTVPYZZBPIXRD-WBVHZDCISA-N 0 0 348.450 3.657 10 0 EHAERN Cc1cccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCO4)cc3)o2)c1 ZINC000021145064 212211713 /nfs/dbraw/zinc/21/17/13/212211713.db2.gz HDWZAZQKYHHBAA-KRWDZBQOSA-N 0 0 349.390 3.830 10 0 EHAERN Cc1cc(C)cc(N2C[C@H](C(=O)NC(C)(C)CC(C)(C)C)CC2=O)c1 ZINC000020373888 212123533 /nfs/dbraw/zinc/12/35/33/212123533.db2.gz RFGBHHXDVUMVQT-MRXNPFEDSA-N 0 0 344.499 3.987 10 0 EHAERN CN(CCO)c1ncnc2scc(-c3ccc4c(c3)CCCC4)c21 ZINC000020318641 212118946 /nfs/dbraw/zinc/11/89/46/212118946.db2.gz ACDBDEPWIXNEBB-UHFFFAOYSA-N 0 0 339.464 3.666 10 0 EHAERN COc1cc(CNc2ccc(Br)cc2F)ccc1O ZINC000019907937 212081852 /nfs/dbraw/zinc/08/18/52/212081852.db2.gz NLAQPYRLEYKDOM-UHFFFAOYSA-N 0 0 326.165 3.915 10 0 EHAERN Nc1cc(Br)ccc1Sc1nnc2n1CCCCC2 ZINC000019845606 212075475 /nfs/dbraw/zinc/07/54/75/212075475.db2.gz NDDYIIPTAIXSBR-UHFFFAOYSA-N 0 0 339.262 3.500 10 0 EHAERN Cc1ccc(N)cc1NC(=O)CCOc1ccccc1Br ZINC000019483453 212032019 /nfs/dbraw/zinc/03/20/19/212032019.db2.gz GAYIYCFFCLFUEB-UHFFFAOYSA-N 0 0 349.228 3.747 10 0 EHAERN NC(=S)c1cccc(OCc2ccc(Br)s2)c1 ZINC000019441257 212028299 /nfs/dbraw/zinc/02/82/99/212028299.db2.gz ZJJXMZTYXBHSNW-UHFFFAOYSA-N 0 0 328.256 3.724 10 0 EHAERN COc1cc(F)ccc1NCc1ccc(I)o1 ZINC000049564222 214020116 /nfs/dbraw/zinc/02/01/16/214020116.db2.gz MMRBNPLKWTVSRF-UHFFFAOYSA-N 0 0 347.127 3.644 10 0 EHAERN CCCC1N=NC(=S)N1[C@H](C)c1ccc(Br)cc1 ZINC000049526393 214014327 /nfs/dbraw/zinc/01/43/27/214014327.db2.gz ISRKSUHTRSDTAB-SECBINFHSA-N 0 0 326.263 3.891 10 0 EHAERN CCC(=O)Oc1c(C)s/c(=N\c2ccccc2F)n1C(=O)CC ZINC000011638122 211227832 /nfs/dbraw/zinc/22/78/32/211227832.db2.gz VHWRRRAGTUYPNZ-VLGSPTGOSA-N 0 0 336.388 3.595 10 0 EHAERN COc1ccc(OC)c(-c2c3c(N)ncnc3nc(C)c2C(C)C)c1 ZINC000009694665 211116018 /nfs/dbraw/zinc/11/60/18/211116018.db2.gz GQUSKNNMJMBPNP-UHFFFAOYSA-N 0 0 338.411 3.723 10 0 EHAERN Cc1oc(-c2ccccc2C)nc1CN1C(=O)c2ccccc2C1=O ZINC000009740386 211121673 /nfs/dbraw/zinc/12/16/73/211121673.db2.gz SWINUNWURFBRQG-UHFFFAOYSA-N 0 0 332.359 3.755 10 0 EHAERN Cc1cc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc(Cl)n1 ZINC000095089944 218279467 /nfs/dbraw/zinc/27/94/67/218279467.db2.gz ANYSGSLZTILJIW-GFCCVEGCSA-N 0 0 341.839 3.607 10 0 EHAERN Cc1ccc(OCCCC2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000095090217 218279959 /nfs/dbraw/zinc/27/99/59/218279959.db2.gz AIQNERFQQRZGAJ-UHFFFAOYSA-N 0 0 335.448 3.591 10 0 EHAERN COc1ccc2c(c1)OC(C)(C)C[C@@H]2Nc1ncc(C(C)=O)c(C)n1 ZINC000095368163 218299934 /nfs/dbraw/zinc/29/99/34/218299934.db2.gz LTOMWNXOVRXOBP-INIZCTEOSA-N 0 0 341.411 3.711 10 0 EHAERN N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2F)S1 ZINC000005636826 210506442 /nfs/dbraw/zinc/50/64/42/210506442.db2.gz BLKWAXWRAZODAS-DHDCSXOGSA-N 0 0 328.368 3.543 10 0 EHAERN CCc1nc(Cc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)cs1 ZINC000299749942 258007594 /nfs/dbraw/zinc/00/75/94/258007594.db2.gz MEJDMWBQEGGIOT-WMLDXEAASA-N 0 0 341.436 3.925 10 0 EHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3C[C@@H]3c3cccnc3)o2)cc1 ZINC000299743502 258009121 /nfs/dbraw/zinc/00/91/21/258009121.db2.gz NVQIPYDWEVFQTE-BSDSXHPESA-N 0 0 333.391 3.981 10 0 EHAERN CCn1c(C)csc1=Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018088592 135713103 /nfs/dbraw/zinc/71/31/03/135713103.db2.gz KTLNWZQHGPTYBE-GASCZTMLSA-O 0 0 332.493 3.721 10 0 EHAERN O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@@H]1c1ccco1 ZINC000121730189 221916574 /nfs/dbraw/zinc/91/65/74/221916574.db2.gz YJYPDIFEASOUJB-NWDGAFQWSA-N 0 0 327.277 3.857 10 0 EHAERN CCCOc1ccc([C@H](C)NCc2noc(C)n2)cc1OCCC ZINC000119929818 520428337 /nfs/dbraw/zinc/42/83/37/520428337.db2.gz IZGWRDOPZDVWEZ-ZDUSSCGKSA-N 0 0 333.432 3.806 10 0 EHAERN CSCC[C@@H]1NC(=S)N([C@H](C)c2ccc3ccccc3c2)C1=O ZINC000015252944 525558287 /nfs/dbraw/zinc/55/82/87/525558287.db2.gz KSOACOPURLSXNG-WBMJQRKESA-N 0 0 344.505 3.739 10 0 EHAERN Clc1cccc(-c2nc(COc3ccc4c(c3)OCO4)no2)c1 ZINC000034907052 563481904 /nfs/dbraw/zinc/48/19/04/563481904.db2.gz MALPYLBFCABMDI-UHFFFAOYSA-N 0 0 330.727 3.698 10 0 EHAERN Nc1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O ZINC000005741260 563548490 /nfs/dbraw/zinc/54/84/90/563548490.db2.gz YMTXUFFCUGTMKM-UHFFFAOYSA-N 0 0 328.327 3.969 10 0 EHAERN CC(C)(C)OC(=O)N1CCC([C@H](CO)CCNc2ccccc2)CC1 ZINC000725267373 563987425 /nfs/dbraw/zinc/98/74/25/563987425.db2.gz BKWPNUDOWVBGNY-KRWDZBQOSA-N 0 0 348.487 3.744 10 0 EHAERN CCOC(=O)C[C@H](OC(C)=O)c1ccc(OCc2ccccc2)cc1 ZINC000101579636 564013099 /nfs/dbraw/zinc/01/30/99/564013099.db2.gz XXLMHBSEKREMAQ-IBGZPJMESA-N 0 0 342.391 3.823 10 0 EHAERN CCc1c(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)cnn1C1CCCC1 ZINC000575603166 564082263 /nfs/dbraw/zinc/08/22/63/564082263.db2.gz GDMPAEKWXWVQQU-QZTJIDSGSA-N 0 0 346.475 3.736 10 0 EHAERN Cc1ccc([C@H](C)NC(=O)c2snc(-c3ccncc3)c2N)cc1 ZINC000065150101 564101819 /nfs/dbraw/zinc/10/18/19/564101819.db2.gz JBBOFSGLYJIDMP-LBPRGKRZSA-N 0 0 338.436 3.587 10 0 EHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253396048 564130482 /nfs/dbraw/zinc/13/04/82/564130482.db2.gz KEHBWXPCFDVISV-MISYRCLQSA-N 0 0 340.467 3.574 10 0 EHAERN COCc1nsc(N2CC[C@@H](Cc3ccc(C(F)F)cc3)C2)n1 ZINC000253419251 564130934 /nfs/dbraw/zinc/13/09/34/564130934.db2.gz IZXASHLFWQDEAX-LBPRGKRZSA-N 0 0 339.411 3.691 10 0 EHAERN NC(=O)Cc1cccc(OCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000079062019 564137797 /nfs/dbraw/zinc/13/77/97/564137797.db2.gz BCOKANZKWQFWPZ-UHFFFAOYSA-N 0 0 342.782 3.602 10 0 EHAERN Cc1ccc(C)c(NC(=O)N2CC[C@H](c3nc4ccncc4n3C)C2)c1 ZINC000096125163 564145705 /nfs/dbraw/zinc/14/57/05/564145705.db2.gz JMOWZBYWODIZBS-HNNXBMFYSA-N 0 0 349.438 3.607 10 0 EHAERN COCc1ccsc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000182063100 1032058201 /nfs/dbraw/zinc/05/82/01/1032058201.db2.gz CIVVMPDQLFFZSF-XJKSGUPXSA-N 0 0 345.464 3.921 10 0 EHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000692473622 976500731 /nfs/dbraw/zinc/50/07/31/976500731.db2.gz FGZNWDCUXRNJBY-UHFFFAOYSA-N 0 0 338.382 3.851 10 0 EHAERN O=C([O-])c1ccc(C[NH2+]C[C@]23C[C@H]2CCCC3)c(Br)c1 ZINC000693630799 976648631 /nfs/dbraw/zinc/64/86/31/976648631.db2.gz OOBHQCAATRLXKY-CJNGLKHVSA-N 0 0 338.245 3.817 10 0 EHAERN CN(Cc1csc(Br)c1)Cc1cc(C(=O)[O-])cs1 ZINC000711377734 977538410 /nfs/dbraw/zinc/53/84/10/977538410.db2.gz LZXZAOHPOYZJND-UHFFFAOYSA-N 0 0 346.271 3.902 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@@H](C)c2c(C)noc2C)cs1 ZINC000187009103 1014899980 /nfs/dbraw/zinc/89/99/80/1014899980.db2.gz HRQOZXGLMPXAJM-BMIGLBTASA-N 0 0 333.457 3.914 10 0 EHAERN COC(=O)[C@]1(C)CCCN1C(=O)c1oc2c(cccc2Cl)c1C ZINC000187655032 1015350165 /nfs/dbraw/zinc/35/01/65/1015350165.db2.gz JWULGPFJLPYAIN-KRWDZBQOSA-N 0 0 335.787 3.562 10 0 EHAERN CCOC(=O)C[C@H](C)N(C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000182647310 1032119184 /nfs/dbraw/zinc/11/91/84/1032119184.db2.gz QKNAKCVTUBOMHQ-LBPRGKRZSA-N 0 0 336.819 3.769 10 0 EHAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000152146632 1015938281 /nfs/dbraw/zinc/93/82/81/1015938281.db2.gz ZZAVDGDLYFPFFM-VHPHOLNESA-N 0 0 348.531 3.793 10 0 EHAERN C[C@@H]1CCN(C(=O)Nc2ccccc2O[C@H]2CCOC2)C[C@@H](C)C1 ZINC000246301322 1015966355 /nfs/dbraw/zinc/96/63/55/1015966355.db2.gz GZURHHNFRREESZ-PMPSAXMXSA-N 0 0 332.444 3.754 10 0 EHAERN CCNc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000183195421 1032141012 /nfs/dbraw/zinc/14/10/12/1032141012.db2.gz AIHDVHSPZIRIPF-CYBMUJFWSA-N 0 0 343.814 3.836 10 0 EHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(C)c(C)cc2Cl)[nH]1 ZINC000407982282 1016700991 /nfs/dbraw/zinc/70/09/91/1016700991.db2.gz XMJJAXXVNXJCKG-HNNXBMFYSA-N 0 0 332.835 3.751 10 0 EHAERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000407994077 1016778599 /nfs/dbraw/zinc/77/85/99/1016778599.db2.gz ZXLKYBRVNQGTIS-ATLSCFEFSA-N 0 0 344.455 3.782 10 0 EHAERN O=C(NCc1cn2c(n1)CCCC2)N1CCC[C@@H]1CC1CCCCC1 ZINC000407994926 1016782538 /nfs/dbraw/zinc/78/25/38/1016782538.db2.gz FLFDLBXPNFTDLR-GOSISDBHSA-N 0 0 344.503 3.864 10 0 EHAERN C[C@H](CN(C)C(=O)Nc1c[nH]nc1-c1ccccc1)c1nccs1 ZINC000183971702 1032217496 /nfs/dbraw/zinc/21/74/96/1032217496.db2.gz WWRHYIZBFJIJIP-GFCCVEGCSA-N 0 0 341.440 3.801 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3ccc(O)cc3)C2)cc1 ZINC000183918054 1032242568 /nfs/dbraw/zinc/24/25/68/1032242568.db2.gz CHICFXSXDYOWKB-YJBOKZPZSA-N 0 0 339.435 3.738 10 0 EHAERN CC(C)c1ccc(NC(=O)N2CCCN(CC(F)F)CC2)cc1F ZINC000184436834 1032271799 /nfs/dbraw/zinc/27/17/99/1032271799.db2.gz FWYPQQDOLWIISA-UHFFFAOYSA-N 0 0 343.393 3.754 10 0 EHAERN CCSc1cc(Cl)ccc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000184219136 1032274830 /nfs/dbraw/zinc/27/48/30/1032274830.db2.gz GMXAUOBJXUKNJM-RDJZCZTQSA-N 0 0 347.867 3.840 10 0 EHAERN CC(=O)Nc1cccc2c1CCN(CCC(Cl)(Cl)Cl)C2 ZINC000184465111 1032303676 /nfs/dbraw/zinc/30/36/76/1032303676.db2.gz OBLXYQWDFRTWTQ-UHFFFAOYSA-N 0 0 335.662 3.763 10 0 EHAERN CSCc1ccccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000184804985 1032321927 /nfs/dbraw/zinc/32/19/27/1032321927.db2.gz NYJBESRIXAAXDE-INIZCTEOSA-N 0 0 343.452 3.630 10 0 EHAERN CSc1cccc(C)c1NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000184983067 1032351972 /nfs/dbraw/zinc/35/19/72/1032351972.db2.gz GNKVZIORMLWUQN-AWEZNQCLSA-N 0 0 330.457 3.610 10 0 EHAERN CC[C@@H](NC(=O)N1CCSC2(CCOCC2)C1)c1cccs1 ZINC000185210822 1032370033 /nfs/dbraw/zinc/37/00/33/1032370033.db2.gz AUMVUGLDDOOAFZ-CYBMUJFWSA-N 0 0 340.514 3.507 10 0 EHAERN COc1cc(F)c(C(=O)Nc2cccc(-c3cnco3)c2)cc1OC ZINC000118968792 1032483380 /nfs/dbraw/zinc/48/33/80/1032483380.db2.gz ZCXJMQGLAXGQTC-UHFFFAOYSA-N 0 0 342.326 3.750 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CSC(C)(C)C)C2)c1 ZINC000081639313 1032615480 /nfs/dbraw/zinc/61/54/80/1032615480.db2.gz RDXMJYVYPVBXNA-ZDUSSCGKSA-N 0 0 337.485 3.551 10 0 EHAERN CC(C)(C)C(=O)N1CCC[C@@H](c2nc(C(C)(C)C3CCC3)no2)C1 ZINC000333259700 1018986152 /nfs/dbraw/zinc/98/61/52/1018986152.db2.gz UJGCATBHRGATOO-CYBMUJFWSA-N 0 0 333.476 3.899 10 0 EHAERN CCC(=O)Nc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1 ZINC000333379398 1019451499 /nfs/dbraw/zinc/45/14/99/1019451499.db2.gz AQBHBBQFAOCPTA-BAGFXWCHSA-N 0 0 341.455 3.935 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000333470729 1019669404 /nfs/dbraw/zinc/66/94/04/1019669404.db2.gz QWQVCMHECYVQBN-ZBEGNZNMSA-N 0 0 331.441 3.808 10 0 EHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)/C=C\c3ccncn3)sc2C1 ZINC000588396778 1020302298 /nfs/dbraw/zinc/30/22/98/1020302298.db2.gz PYCTZZFUPCGZDU-SMYYYNMVSA-N 0 0 342.468 3.736 10 0 EHAERN COc1cccc(C2=N/C(=C/c3cccc4cnccc34)C(=O)O2)c1 ZINC000588423433 1021422168 /nfs/dbraw/zinc/42/21/68/1021422168.db2.gz LVSCWHWCWWZUSY-WOJGMQOQSA-N 0 0 330.343 3.588 10 0 EHAERN CC1(C)CN(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)[C@H]2CCC[C@@H]21 ZINC000333940655 1021517385 /nfs/dbraw/zinc/51/73/85/1021517385.db2.gz OGBAQWIYRIWOLJ-ULQDDVLXSA-N 0 0 341.455 3.680 10 0 EHAERN C[C@@H](NC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1csnn1 ZINC000334057086 1021936005 /nfs/dbraw/zinc/93/60/05/1021936005.db2.gz VXMNDMLIARKYLT-STDFNBFFSA-N 0 0 334.489 3.503 10 0 EHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000246596683 1022072709 /nfs/dbraw/zinc/07/27/09/1022072709.db2.gz XDXMQRRUAKCQRN-HBUWYVDXSA-N 0 0 341.455 3.764 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1csc2ccccc12 ZINC000588434060 1022106272 /nfs/dbraw/zinc/10/62/72/1022106272.db2.gz SUYADHOZXCADQI-SREVYHEPSA-N 0 0 346.452 3.712 10 0 EHAERN CCC[C@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588434522 1022181654 /nfs/dbraw/zinc/18/16/54/1022181654.db2.gz MTBFLICZONVHHM-IBSYWUHOSA-N 0 0 346.471 3.767 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cccc2ccccc21 ZINC000588434531 1022182559 /nfs/dbraw/zinc/18/25/59/1022182559.db2.gz NCVZLBYTROVHKL-SREVYHEPSA-N 0 0 340.423 3.651 10 0 EHAERN O=C(CCCc1c[nH]c2ccccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127579560 1022373656 /nfs/dbraw/zinc/37/36/56/1022373656.db2.gz JDOGHYVBCMTTSN-UWJYYQICSA-N 0 0 340.467 3.644 10 0 EHAERN Cc1ccccc1-c1noc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)n1 ZINC000328914113 1022544140 /nfs/dbraw/zinc/54/41/40/1022544140.db2.gz PZVXOMVIALKKSC-XGWLTEMNSA-N 0 0 340.427 3.593 10 0 EHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000588452660 1023026147 /nfs/dbraw/zinc/02/61/47/1023026147.db2.gz UMXMRSHEHPWFOK-VURMDHGXSA-N 0 0 338.798 3.881 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000180308126 1023266199 /nfs/dbraw/zinc/26/61/99/1023266199.db2.gz FNGFHOAVFDBXQX-KDOFPFPSSA-N 0 0 340.471 3.935 10 0 EHAERN COc1ccc(Cl)cc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000080740205 1023280732 /nfs/dbraw/zinc/28/07/32/1023280732.db2.gz RGZAQGPYEPXTLS-DZGCQCFKSA-N 0 0 348.834 3.851 10 0 EHAERN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000081179445 1023295829 /nfs/dbraw/zinc/29/58/29/1023295829.db2.gz VCVFHGUNKVYUQD-YOEHRIQHSA-N 0 0 343.471 3.565 10 0 EHAERN C/C(=C/C(=O)NCc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000588463890 1023310226 /nfs/dbraw/zinc/31/02/26/1023310226.db2.gz DROICROMZXJBPB-VBKFSLOCSA-N 0 0 329.403 3.863 10 0 EHAERN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1 ZINC000142242955 1023553768 /nfs/dbraw/zinc/55/37/68/1023553768.db2.gz RZDWJLUUPDYCRU-UHFFFAOYSA-N 0 0 347.418 3.987 10 0 EHAERN COc1ccccc1/C=C(\C(=O)N(C)CCC(C)=O)c1ccccc1 ZINC000588478825 1023884442 /nfs/dbraw/zinc/88/44/42/1023884442.db2.gz BNHNBEFPJUZISB-CYVLTUHYSA-N 0 0 337.419 3.673 10 0 EHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000329653577 1023985935 /nfs/dbraw/zinc/98/59/35/1023985935.db2.gz LHXAVFSICXGRAX-IXDOHACOSA-N 0 0 343.471 3.869 10 0 EHAERN CCCn1cc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000181407193 1024018649 /nfs/dbraw/zinc/01/86/49/1024018649.db2.gz QIMSFHJOPFUVRL-KRWDZBQOSA-N 0 0 339.439 3.860 10 0 EHAERN Cc1ccc(NC(=O)c2cccn2C2CCCC2)cc1C(=O)N(C)C ZINC000182331078 1024083434 /nfs/dbraw/zinc/08/34/34/1024083434.db2.gz KKQJNQYOHYRKDC-UHFFFAOYSA-N 0 0 339.439 3.866 10 0 EHAERN CC[C@H](CC1CCCCC1)C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000330219004 1024357834 /nfs/dbraw/zinc/35/78/34/1024357834.db2.gz PDPWRSNZTJLXHE-IXDOHACOSA-N 0 0 349.475 3.663 10 0 EHAERN C[C@H](NC(=O)N1CCC(C)(CO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000184553554 1024444088 /nfs/dbraw/zinc/44/40/88/1024444088.db2.gz FMAIYMXSWPGSPO-HNNXBMFYSA-N 0 0 332.488 3.849 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N[C@H]2CCCC[C@H]2O)s1 ZINC000333690392 1025129532 /nfs/dbraw/zinc/12/95/32/1025129532.db2.gz JAUXDKGWYVTWFU-GXTWGEPZSA-N 0 0 331.441 3.544 10 0 EHAERN O=C(Nc1cccnc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113366843 1025150428 /nfs/dbraw/zinc/15/04/28/1025150428.db2.gz NSMMWODKXUIWMA-MRXNPFEDSA-N 0 0 347.422 3.883 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C=C1CCC(C)(C)CC1 ZINC000121508239 1025474409 /nfs/dbraw/zinc/47/44/09/1025474409.db2.gz JQCIKQKLRJUYKX-OAHLLOKOSA-N 0 0 330.476 3.879 10 0 EHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H]2C2CCC2)n1 ZINC000119737772 1025818488 /nfs/dbraw/zinc/81/84/88/1025818488.db2.gz JSKIEBRWJBXGOD-AWEZNQCLSA-N 0 0 325.403 3.881 10 0 EHAERN CCc1nccn1[C@@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000247379983 1025855898 /nfs/dbraw/zinc/85/58/98/1025855898.db2.gz VUFIHQFLRQKLAZ-ZIAGYGMSSA-N 0 0 331.464 3.524 10 0 EHAERN O=C(NC1CC1)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccco2)ccc1Cl ZINC000121887700 1025932481 /nfs/dbraw/zinc/93/24/81/1025932481.db2.gz MDRRBMAVZHKUQS-STQMWFEESA-N 0 0 344.798 3.567 10 0 EHAERN CC[C@@H]1C[C@@H](c2nc(CCn3c(C)nc4ccccc43)no2)CCO1 ZINC000329615519 1026077692 /nfs/dbraw/zinc/07/76/92/1026077692.db2.gz PNLWMCAPBDCEKV-LSDHHAIUSA-N 0 0 340.427 3.643 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cccc(OCC)c1 ZINC000105009385 1026477891 /nfs/dbraw/zinc/47/78/91/1026477891.db2.gz ADRHNGXEDLAIHZ-UHFFFAOYSA-N 0 0 327.428 3.967 10 0 EHAERN Cc1noc(-c2ccnc(N[C@@H](C)c3ccc(-n4cccn4)cc3)c2)n1 ZINC000301438963 1026808140 /nfs/dbraw/zinc/80/81/40/1026808140.db2.gz LQRFXXKGJICEGZ-ZDUSSCGKSA-N 0 0 346.394 3.799 10 0 EHAERN CCCc1nc([C@@H](Nc2cc(Cl)nc(C)n2)c2ccccc2)no1 ZINC000301672870 1026895140 /nfs/dbraw/zinc/89/51/40/1026895140.db2.gz OYZUXMRKOWXLPX-INIZCTEOSA-N 0 0 343.818 3.975 10 0 EHAERN FC(F)(F)c1cccnc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302169165 1027076965 /nfs/dbraw/zinc/07/69/65/1027076965.db2.gz LAPPKEYHKHLAHU-UHFFFAOYSA-N 0 0 338.333 3.745 10 0 EHAERN Cc1ccc([C@H]2CN(c3nnc(Cc4ccccc4)s3)CCO2)o1 ZINC000302201625 1027087725 /nfs/dbraw/zinc/08/77/25/1027087725.db2.gz ZKVGTKNPONCQNW-MRXNPFEDSA-N 0 0 341.436 3.608 10 0 EHAERN Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000128382924 1027426255 /nfs/dbraw/zinc/42/62/55/1027426255.db2.gz SLHODTPYWPQLFI-GFCCVEGCSA-N 0 0 345.468 3.783 10 0 EHAERN CCCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153310510 1027701922 /nfs/dbraw/zinc/70/19/22/1027701922.db2.gz PMTXWGQFJYQEGU-GOSISDBHSA-N 0 0 344.411 3.982 10 0 EHAERN CC(C)c1nccc(N[C@H](c2nc(-c3cccnc3)no2)C(C)C)n1 ZINC000131477485 1027782139 /nfs/dbraw/zinc/78/21/39/1027782139.db2.gz ATLJGMOOJLVEPA-HNNXBMFYSA-N 0 0 338.415 3.854 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 ZINC000131801739 1027823691 /nfs/dbraw/zinc/82/36/91/1027823691.db2.gz KLVVRUNTVMZQJX-CJNGLKHVSA-N 0 0 335.407 3.590 10 0 EHAERN O=C(N[C@@H]1CCCc2occc21)N1CCC[C@@H](c2nccs2)C1 ZINC000114823372 1027975889 /nfs/dbraw/zinc/97/58/89/1027975889.db2.gz AROPCESHIBVLKC-TZMCWYRMSA-N 0 0 331.441 3.703 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3scnc3C(C)(C)C)CCO2)o1 ZINC000133818131 1028070668 /nfs/dbraw/zinc/07/06/68/1028070668.db2.gz KPLWBXJIOIRXQS-ZDUSSCGKSA-N 0 0 334.441 3.556 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Oc2ccccc2)o1 ZINC000246248332 1028071684 /nfs/dbraw/zinc/07/16/84/1028071684.db2.gz YBNXUGLOJCACST-BMGDILEWSA-N 0 0 339.391 3.759 10 0 EHAERN CCCOc1cccc(CC(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000153525721 1028075014 /nfs/dbraw/zinc/07/50/14/1028075014.db2.gz ISUNIYLEMHMZRO-UHFFFAOYSA-N 0 0 337.379 3.707 10 0 EHAERN CCCOc1cccc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000134085122 1028094057 /nfs/dbraw/zinc/09/40/57/1028094057.db2.gz AUGTYJUHXNUFIP-SFHVURJKSA-N 0 0 329.396 3.591 10 0 EHAERN C[C@@H]1CCN(C(=O)C[C@@H](O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000246314198 1028204930 /nfs/dbraw/zinc/20/49/30/1028204930.db2.gz DWTQSLDVVHQOKA-LXGCGDOSSA-N 0 0 327.399 3.859 10 0 EHAERN Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)[C@H](C)CC(C)C)CCC2 ZINC000246360319 1028281672 /nfs/dbraw/zinc/28/16/72/1028281672.db2.gz LCTXHFWKZXUVOT-BXUZGUMPSA-N 0 0 330.519 3.525 10 0 EHAERN CSCc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000137345799 1028308399 /nfs/dbraw/zinc/30/83/99/1028308399.db2.gz OVXNYWTXFORVPA-QGZVFWFLSA-N 0 0 343.452 3.630 10 0 EHAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@H]2CCCC[C@H]21 ZINC000137320057 1028309718 /nfs/dbraw/zinc/30/97/18/1028309718.db2.gz AVERINMJDXVLEL-UKRRQHHQSA-N 0 0 345.468 3.912 10 0 EHAERN COc1ccc(-c2noc(CN(C)[C@@H](C)c3ccco3)n2)cc1OC ZINC000069068788 1028416812 /nfs/dbraw/zinc/41/68/12/1028416812.db2.gz HVNNSECIJNNGQJ-LBPRGKRZSA-N 0 0 343.383 3.540 10 0 EHAERN O=C(c1nc2cccnc2s1)N1CC=C(c2ccccc2F)CC1 ZINC000194020824 1028484337 /nfs/dbraw/zinc/48/43/37/1028484337.db2.gz GDHNGHWIIXFCMB-UHFFFAOYSA-N 0 0 339.395 3.760 10 0 EHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1cccc(-n2cccn2)c1 ZINC000073204564 1028545417 /nfs/dbraw/zinc/54/54/17/1028545417.db2.gz SZLDPUVHCDQWTO-AVYPCKFXSA-N 0 0 347.418 3.614 10 0 EHAERN Cc1c(F)cccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000073394002 1028557084 /nfs/dbraw/zinc/55/70/84/1028557084.db2.gz IEJGQSZIJPJRPR-HNNXBMFYSA-N 0 0 330.384 3.576 10 0 EHAERN Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H](C)c2ccncc2)[C@H](C)CO1 ZINC000073487560 1028559642 /nfs/dbraw/zinc/55/96/42/1028559642.db2.gz CRIZSQSYUNNAAF-GJYPPUQNSA-N 0 0 339.439 3.623 10 0 EHAERN COc1cccc(C2CCN(C(=O)N[C@@H](C)c3ccncc3)CC2)c1 ZINC000195003018 1028568085 /nfs/dbraw/zinc/56/80/85/1028568085.db2.gz FUJNQXTVOHCTKI-HNNXBMFYSA-N 0 0 339.439 3.740 10 0 EHAERN COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)C(C)(C)C)n2)c1 ZINC000074201091 1028601829 /nfs/dbraw/zinc/60/18/29/1028601829.db2.gz UNAVVCGWJLJBLS-NEPJUHHUSA-N 0 0 346.431 3.540 10 0 EHAERN COC(=O)[C@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000075649027 1028733018 /nfs/dbraw/zinc/73/30/18/1028733018.db2.gz MQANYUPYQVWOGM-CQSZACIVSA-N 0 0 334.803 3.523 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1csc(-c2ccsc2)n1 ZINC000153785535 1028738157 /nfs/dbraw/zinc/73/81/57/1028738157.db2.gz ARBVBVHXQGKKKC-BZPMIXESSA-N 0 0 334.466 3.559 10 0 EHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(C(F)(F)F)ccc1F ZINC000247310290 1028774349 /nfs/dbraw/zinc/77/43/49/1028774349.db2.gz IFDVJPALMFJENE-GDLCADMTSA-N 0 0 331.309 3.532 10 0 EHAERN O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247671721 1028808678 /nfs/dbraw/zinc/80/86/78/1028808678.db2.gz YQWVVYFFXNBDLH-CFVMTHIKSA-N 0 0 328.239 3.610 10 0 EHAERN c1[nH]c([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)nc1-c1ccccc1 ZINC000114200905 1028862447 /nfs/dbraw/zinc/86/24/47/1028862447.db2.gz XSLRUAWQROCFFC-INIZCTEOSA-N 0 0 349.438 3.717 10 0 EHAERN FC(F)(F)c1ccc([C@H]2CN(C[C@H]3CCCCO3)CCO2)cc1 ZINC000248414005 1028897809 /nfs/dbraw/zinc/89/78/09/1028897809.db2.gz GOXRBHWLWCZVFW-HZPDHXFCSA-N 0 0 329.362 3.648 10 0 EHAERN CCCN(CCc1cccs1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248655629 1028935545 /nfs/dbraw/zinc/93/55/45/1028935545.db2.gz VYKDIOPSWSYHIL-GVDBMIGSSA-N 0 0 336.501 3.670 10 0 EHAERN C[C@@H]1C[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000249208428 1028996828 /nfs/dbraw/zinc/99/68/28/1028996828.db2.gz XEELJDFYYSZHMT-JRGCBEDISA-N 0 0 346.478 3.752 10 0 EHAERN Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000246756084 1029001436 /nfs/dbraw/zinc/00/14/36/1029001436.db2.gz PWTMNSOSZXMUBK-WDYCEAGBSA-N 0 0 348.512 3.718 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(F)c(F)c(F)c3)CCO2)o1 ZINC000154221084 1029064123 /nfs/dbraw/zinc/06/41/23/1029064123.db2.gz KUOZEYMOCRMEHP-CQSZACIVSA-N 0 0 340.301 3.611 10 0 EHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(SC(F)(F)F)cc1 ZINC000251847983 1029161853 /nfs/dbraw/zinc/16/18/53/1029161853.db2.gz NGMQRMRMDYKSSL-XQQFMLRXSA-N 0 0 331.359 3.596 10 0 EHAERN CCC(=O)N1CC[C@H](C(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)C1 ZINC000252692267 1029228176 /nfs/dbraw/zinc/22/81/76/1029228176.db2.gz UEBRQRQWXXZUNU-QRFRQXIXSA-N 0 0 342.483 3.553 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3ccccc3O)C2)cc1 ZINC000078187562 1029239830 /nfs/dbraw/zinc/23/98/30/1029239830.db2.gz CTQSBOZKHHTXAD-QAPCUYQASA-N 0 0 339.435 3.738 10 0 EHAERN C[C@@]1(C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1(Cl)Cl ZINC000078349617 1029276741 /nfs/dbraw/zinc/27/67/41/1029276741.db2.gz NKBZTURUSRAZSH-ZBFHGGJFSA-N 0 0 335.234 3.871 10 0 EHAERN CCSc1ccc(Cl)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246057411 1029613534 /nfs/dbraw/zinc/61/35/34/1029613534.db2.gz AOBFRFQODQRMEV-NILFDRSVSA-N 0 0 339.888 3.995 10 0 EHAERN COc1cccc([C@H](C)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000079434553 1029642986 /nfs/dbraw/zinc/64/29/86/1029642986.db2.gz AJLVXLBYZZUVLQ-HNNXBMFYSA-N 0 0 344.480 3.666 10 0 EHAERN O=C(NCc1ccccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000114777529 1029746657 /nfs/dbraw/zinc/74/66/57/1029746657.db2.gz HGWFCUUZGHENJF-CYBMUJFWSA-N 0 0 335.860 3.886 10 0 EHAERN C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC000089697503 1029973327 /nfs/dbraw/zinc/97/33/27/1029973327.db2.gz XSTNJBRFEZNJBB-OLZOCXBDSA-N 0 0 330.432 3.574 10 0 EHAERN O=C(N[C@H]1CCOC2(CCCC2)C1)N1CC=C(c2ccccc2)CC1 ZINC000156797926 1030024386 /nfs/dbraw/zinc/02/43/86/1030024386.db2.gz JXNPTOHMFTYIGF-IBGZPJMESA-N 0 0 340.467 3.977 10 0 EHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000246101279 1030362829 /nfs/dbraw/zinc/36/28/29/1030362829.db2.gz LMAVYASFUGZXRI-VFVRVIDISA-N 0 0 344.434 3.585 10 0 EHAERN COc1ccc(F)cc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000092119024 1030388389 /nfs/dbraw/zinc/38/83/89/1030388389.db2.gz OTFQQTNKFDKLNF-UHFFFAOYSA-N 0 0 349.431 3.686 10 0 EHAERN Cc1cccc([C@H](NC(=O)c2ccc(C=O)cc2)c2ccccn2)c1 ZINC000160048342 1030501967 /nfs/dbraw/zinc/50/19/67/1030501967.db2.gz AHVZIVRSRIRVHV-FQEVSTJZSA-N 0 0 330.387 3.722 10 0 EHAERN CC(C)(C)c1ncc(C(=O)Nc2cccc(-c3ncon3)c2)s1 ZINC000170632087 1030690068 /nfs/dbraw/zinc/69/00/68/1030690068.db2.gz UTGCFHQBNDHCKK-UHFFFAOYSA-N 0 0 328.397 3.743 10 0 EHAERN CCO[C@H](C(=O)N1CCC(c2nc(C)cs2)CC1)c1ccccc1 ZINC000171220736 1030749029 /nfs/dbraw/zinc/74/90/29/1030749029.db2.gz JOKLGTFUFZQKSL-KRWDZBQOSA-N 0 0 344.480 3.935 10 0 EHAERN Cc1ccc(SCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000171647607 1030771195 /nfs/dbraw/zinc/77/11/95/1030771195.db2.gz IHPDTAFBRYNBFL-AWEZNQCLSA-N 0 0 332.494 3.950 10 0 EHAERN C[C@@H](c1ccccc1F)[S@](=O)Cc1nc(-c2ccsc2)no1 ZINC000171497778 1030785038 /nfs/dbraw/zinc/78/50/38/1030785038.db2.gz IEJDGYTZTYOXSQ-MLMJSJRWSA-N 0 0 336.413 3.947 10 0 EHAERN O=C(Cc1ccc(Cl)cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171609810 1030800791 /nfs/dbraw/zinc/80/07/91/1030800791.db2.gz AJOYAFINDCIVMR-UHFFFAOYSA-N 0 0 328.843 3.759 10 0 EHAERN O=C(CCCOc1ccc(F)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171724237 1030811426 /nfs/dbraw/zinc/81/14/26/1030811426.db2.gz MJXJJXIZFCIBJX-CQSZACIVSA-N 0 0 348.443 3.847 10 0 EHAERN CC(C)(O)CNC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000171755091 1030815519 /nfs/dbraw/zinc/81/55/19/1030815519.db2.gz BGQWTQGRZGFKHV-CQSZACIVSA-N 0 0 338.860 3.561 10 0 EHAERN CC[C@@H](NC(=O)N1CCOC[C@@H]1c1ccc(C)o1)c1cccs1 ZINC000172126527 1030838011 /nfs/dbraw/zinc/83/80/11/1030838011.db2.gz BMSXSHDJOOIVTR-ZIAGYGMSSA-N 0 0 334.441 3.884 10 0 EHAERN CC[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000172180640 1030842069 /nfs/dbraw/zinc/84/20/69/1030842069.db2.gz RJAFZKLUCQEPAH-OAHLLOKOSA-N 0 0 348.512 3.639 10 0 EHAERN C[C@@H](Cc1ccccc1F)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000172348138 1030867083 /nfs/dbraw/zinc/86/70/83/1030867083.db2.gz BRLAGLCVXBSTQA-DZGCQCFKSA-N 0 0 332.444 3.867 10 0 EHAERN Cc1cccc2c(CC(=O)Nc3cccc(-c4ncon4)c3)c[nH]c21 ZINC000172839044 1031009101 /nfs/dbraw/zinc/00/91/01/1031009101.db2.gz JMSRMJMPRBWUBI-UHFFFAOYSA-N 0 0 332.363 3.708 10 0 EHAERN Cc1cccc(OCC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174078371 1031163443 /nfs/dbraw/zinc/16/34/43/1031163443.db2.gz ALVSRDQDNVXABW-UHFFFAOYSA-N 0 0 342.414 3.616 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)nc1 ZINC000174233697 1031181838 /nfs/dbraw/zinc/18/18/38/1031181838.db2.gz LLWOKKVSNIUNBP-UHFFFAOYSA-N 0 0 344.846 3.834 10 0 EHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000175438331 1031335932 /nfs/dbraw/zinc/33/59/32/1031335932.db2.gz NUPFUDSPXJNTNQ-AVYPCKFXSA-N 0 0 347.418 3.614 10 0 EHAERN COc1csc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000176874794 1031499734 /nfs/dbraw/zinc/49/97/34/1031499734.db2.gz HUWHREYCCKGPJH-JSGCOSHPSA-N 0 0 331.437 3.784 10 0 EHAERN Cc1nc(Cl)ccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000178551083 1031679191 /nfs/dbraw/zinc/67/91/91/1031679191.db2.gz KROKDFJMRRHAEP-UHFFFAOYSA-N 0 0 329.831 3.533 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3CCCC(C)(C)C3)CC2)n1 ZINC000178930012 1031722507 /nfs/dbraw/zinc/72/25/07/1031722507.db2.gz CXYCJEZWHAZFSN-INIZCTEOSA-N 0 0 329.488 3.691 10 0 EHAERN Cc1noc(C)c1CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000179044347 1031728575 /nfs/dbraw/zinc/72/85/75/1031728575.db2.gz PKSHKMHCVZVTQB-MRXNPFEDSA-N 0 0 349.475 3.655 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4scnc4c3)CCO2)o1 ZINC000179398010 1031746106 /nfs/dbraw/zinc/74/61/06/1031746106.db2.gz KFVOYTNBBFVFIC-HNNXBMFYSA-N 0 0 343.408 3.803 10 0 EHAERN COc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1Cl ZINC000179320651 1031764477 /nfs/dbraw/zinc/76/44/77/1031764477.db2.gz BVOJXXCSTUZDKU-GFCCVEGCSA-N 0 0 336.844 3.825 10 0 EHAERN CCn1cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c2ccccc21 ZINC000179344360 1031767881 /nfs/dbraw/zinc/76/78/81/1031767881.db2.gz BEGNDUXMFOXDTD-IBGZPJMESA-N 0 0 338.407 3.776 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000117627760 1031782858 /nfs/dbraw/zinc/78/28/58/1031782858.db2.gz FZYOPVYPVVISNU-NHYWBVRUSA-N 0 0 336.313 3.542 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000117646883 1031787201 /nfs/dbraw/zinc/78/72/01/1031787201.db2.gz WCDGRGBUPHKAHA-ORAYPTAESA-N 0 0 340.398 3.929 10 0 EHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000117674948 1031793623 /nfs/dbraw/zinc/79/36/23/1031793623.db2.gz LRUGLDWIVROALR-SWLSCSKDSA-N 0 0 328.437 3.593 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000117674943 1031793715 /nfs/dbraw/zinc/79/37/15/1031793715.db2.gz LRUGLDWIVROALR-WFASDCNBSA-N 0 0 328.437 3.593 10 0 EHAERN CCc1noc(-c2ccc(C)c(N[C@@H](C)c3cnn(CC)c3)c2)n1 ZINC000180032798 1031830411 /nfs/dbraw/zinc/83/04/11/1031830411.db2.gz YYCSDLZZMJHHGS-ZDUSSCGKSA-N 0 0 325.416 3.997 10 0 EHAERN Cc1cccc(C)c1CC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180595035 1031890244 /nfs/dbraw/zinc/89/02/44/1031890244.db2.gz NGMOAYUIVZLHDH-AEFFLSMTSA-N 0 0 327.424 3.554 10 0 EHAERN Cc1ccc([C@H]2CN(Cc3cc(F)cc4cccnc43)CCO2)o1 ZINC000159166584 1031904943 /nfs/dbraw/zinc/90/49/43/1031904943.db2.gz XBIODLRCUQTQIA-GOSISDBHSA-N 0 0 326.371 3.849 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)nc1 ZINC000180857061 1031916906 /nfs/dbraw/zinc/91/69/06/1031916906.db2.gz XOCIXWDCBAGPJO-UHFFFAOYSA-N 0 0 336.844 3.789 10 0 EHAERN CCS[C@H](C(=O)N1CCC(Oc2ccc(C)cn2)CC1)C(C)C ZINC000181201087 1031955103 /nfs/dbraw/zinc/95/51/03/1031955103.db2.gz FZKVBGVQSIUXTP-KRWDZBQOSA-N 0 0 336.501 3.538 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@@H](C)c3cccc(F)c3)CC2)nc1 ZINC000181567646 1032004168 /nfs/dbraw/zinc/00/41/68/1032004168.db2.gz NIZLAHAWMKLXPY-HNNXBMFYSA-N 0 0 342.414 3.703 10 0 EHAERN Cc1ccc(OC2CCN(C(=O)[C@@H](C)c3cccs3)CC2)nc1 ZINC000181570938 1032005666 /nfs/dbraw/zinc/00/56/66/1032005666.db2.gz VJGXVDZHSPRJIX-AWEZNQCLSA-N 0 0 330.453 3.625 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120152333 1033399467 /nfs/dbraw/zinc/39/94/67/1033399467.db2.gz XGEAPUIWLZCUCQ-CYBMUJFWSA-N 0 0 344.465 3.962 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)NC[C@@H](C)Cc3cccs3)CCO2)o1 ZINC000120394626 1033749576 /nfs/dbraw/zinc/74/95/76/1033749576.db2.gz BMZYQWZSPZQBTK-GUYCJALGSA-N 0 0 348.468 3.611 10 0 EHAERN Cc1cccc(NC(=O)COc2cccc(Oc3ncccn3)c2)c1 ZINC000101541696 1033757094 /nfs/dbraw/zinc/75/70/94/1033757094.db2.gz KCGOAQLCUUQQDD-UHFFFAOYSA-N 0 0 335.363 3.595 10 0 EHAERN CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000159048659 1034127724 /nfs/dbraw/zinc/12/77/24/1034127724.db2.gz SCDIUYUCQBODKY-SJORKVTESA-N 0 0 332.492 3.524 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ncc(C)s3)C2)cc1 ZINC000120817149 1034175457 /nfs/dbraw/zinc/17/54/57/1034175457.db2.gz NGVAYTAMPWXRKG-RISCZKNCSA-N 0 0 331.441 3.870 10 0 EHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@H](O)c3ccccc3)C2)cc1 ZINC000089246774 1034276234 /nfs/dbraw/zinc/27/62/34/1034276234.db2.gz UIHOKDHMPYSZMA-CVAIRZPRSA-N 0 0 339.435 3.523 10 0 EHAERN Cc1oc2ccccc2c1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000185818471 1035515537 /nfs/dbraw/zinc/51/55/37/1035515537.db2.gz UUHRHAKFGLEZLA-UHFFFAOYSA-N 0 0 349.434 3.843 10 0 EHAERN Clc1ccc2nc(CNCc3ncc(-c4ccccc4)cn3)cn2c1 ZINC000185877666 1035554977 /nfs/dbraw/zinc/55/49/77/1035554977.db2.gz LMTYGTIOBMVOHC-UHFFFAOYSA-N 0 0 349.825 3.735 10 0 EHAERN COc1ccsc1[C@@H](C)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000186149100 1035590950 /nfs/dbraw/zinc/59/09/50/1035590950.db2.gz FASNIWZLEQBXAH-ABAIWWIYSA-N 0 0 328.441 3.623 10 0 EHAERN O=Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000186318774 1035615334 /nfs/dbraw/zinc/61/53/34/1035615334.db2.gz OYCPLRWGWWEYFX-KRWDZBQOSA-N 0 0 347.773 3.505 10 0 EHAERN C[C@H](C(=O)N1CCCN(c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000186428062 1035633889 /nfs/dbraw/zinc/63/38/89/1035633889.db2.gz NVTNWPMUAQKELO-INIZCTEOSA-N 0 0 349.434 3.670 10 0 EHAERN CCC(CC)CN(CC)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186643164 1035676006 /nfs/dbraw/zinc/67/60/06/1035676006.db2.gz GVSDLNICUXHTHA-UHFFFAOYSA-N 0 0 332.448 3.954 10 0 EHAERN O=C(CCN1CCO[C@@H](c2cccs2)C1)c1ccc(F)cc1F ZINC000187168870 1035780569 /nfs/dbraw/zinc/78/05/69/1035780569.db2.gz YFLVQCQKONNNAP-MRXNPFEDSA-N 0 0 337.391 3.673 10 0 EHAERN Cc1ccc(C)c(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188293769 1035927443 /nfs/dbraw/zinc/92/74/43/1035927443.db2.gz GEICSNXIBVYRCG-UHFFFAOYSA-N 0 0 330.457 3.868 10 0 EHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCCC2(C1)CCCCCC2 ZINC000188591793 1035931443 /nfs/dbraw/zinc/93/14/43/1035931443.db2.gz YPSGTZXMGKUKET-UHFFFAOYSA-N 0 0 326.440 3.758 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000188706385 1035957340 /nfs/dbraw/zinc/95/73/40/1035957340.db2.gz UCIXCFQERDQXBK-QGZVFWFLSA-N 0 0 331.456 3.624 10 0 EHAERN Cc1cc(C)cc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000188756969 1035979872 /nfs/dbraw/zinc/97/98/72/1035979872.db2.gz URDVZTONKHOMSB-MOEXGYKKSA-N 0 0 338.455 3.635 10 0 EHAERN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000188917083 1035983390 /nfs/dbraw/zinc/98/33/90/1035983390.db2.gz PLEYQHPWNSEEGD-GDBMZVCRSA-N 0 0 348.512 3.685 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccsc3Cl)CCO2)o1 ZINC000189356132 1036059771 /nfs/dbraw/zinc/05/97/71/1036059771.db2.gz CWDOTZSKYBCUQZ-LBPRGKRZSA-N 0 0 326.805 3.908 10 0 EHAERN COc1cccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000189378723 1036063336 /nfs/dbraw/zinc/06/33/36/1036063336.db2.gz NBKKSQKCDPBZHZ-INIZCTEOSA-N 0 0 331.441 3.507 10 0 EHAERN COc1cccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1O ZINC000189645464 1036105736 /nfs/dbraw/zinc/10/57/36/1036105736.db2.gz WAXMGTGNFLOLOC-LBPRGKRZSA-N 0 0 347.361 3.699 10 0 EHAERN COc1cc(C)sc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189817414 1036149178 /nfs/dbraw/zinc/14/91/78/1036149178.db2.gz SCZDLNOYGMPKSI-UHFFFAOYSA-N 0 0 343.448 3.774 10 0 EHAERN CCOc1cc2c(cc1NC(=O)N1CCC3(CCCC3)C1)OCCO2 ZINC000189832968 1036152404 /nfs/dbraw/zinc/15/24/04/1036152404.db2.gz KCJCKQPWALQFTB-UHFFFAOYSA-N 0 0 346.427 3.655 10 0 EHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000190072421 1036177086 /nfs/dbraw/zinc/17/70/86/1036177086.db2.gz SMCKUZMCKJUNPP-ARLBYUKCSA-N 0 0 349.475 3.519 10 0 EHAERN CN1CCC(=O)Nc2cc(C(=O)N3CCC=Cc4ccccc43)ccc21 ZINC000190111179 1036193368 /nfs/dbraw/zinc/19/33/68/1036193368.db2.gz WLLYCLINICWVBH-UHFFFAOYSA-N 0 0 347.418 3.529 10 0 EHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CSC[C@@H]2CCCCO2)n1 ZINC000190370158 1036228442 /nfs/dbraw/zinc/22/84/42/1036228442.db2.gz PEVLXJOJPTUBLJ-YDHLFZDLSA-N 0 0 340.489 3.791 10 0 EHAERN O=C(/C=C/c1ccc(Cl)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190408680 1036234335 /nfs/dbraw/zinc/23/43/35/1036234335.db2.gz BONPRXSHSIMCMB-ZZXKWVIFSA-N 0 0 347.871 3.913 10 0 EHAERN O=C(/C=C/c1c(F)cccc1F)N1CCC(Nc2nccs2)CC1 ZINC000190405047 1036234360 /nfs/dbraw/zinc/23/43/60/1036234360.db2.gz ITEJQEZXTQNCFG-SNAWJCMRSA-N 0 0 349.406 3.538 10 0 EHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H]3CCOc4c(C)cccc43)nc21 ZINC000190638952 1036270992 /nfs/dbraw/zinc/27/09/92/1036270992.db2.gz GCNXMSWPRMJKOJ-INIZCTEOSA-N 0 0 349.434 3.752 10 0 EHAERN O=C(c1ccc2nccn2c1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191197661 1036345402 /nfs/dbraw/zinc/34/54/02/1036345402.db2.gz BHSHPLBTEQIHIP-CYBMUJFWSA-N 0 0 341.361 3.632 10 0 EHAERN C=Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc1 ZINC000191951024 1036448794 /nfs/dbraw/zinc/44/87/94/1036448794.db2.gz WFGFDLCSPVTLJO-GOSISDBHSA-N 0 0 349.434 3.524 10 0 EHAERN C[C@H](CC1CC1)NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192445347 1036509990 /nfs/dbraw/zinc/50/99/90/1036509990.db2.gz HWMUAXRTEUVWOK-CYBMUJFWSA-N 0 0 336.863 3.522 10 0 EHAERN Cc1cccnc1C(F)(F)C(=O)N1CC=C(c2cccs2)CC1 ZINC000192563764 1036529112 /nfs/dbraw/zinc/52/91/12/1036529112.db2.gz ZHCCVLIENAQRMP-UHFFFAOYSA-N 0 0 334.391 3.859 10 0 EHAERN O=C(NC1(c2nccs2)CCCC1)[C@H]1CCCc2cccnc21 ZINC000192583432 1036530401 /nfs/dbraw/zinc/53/04/01/1036530401.db2.gz SWRROGGAQCATGO-AWEZNQCLSA-N 0 0 327.453 3.544 10 0 EHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H](c1ccccc1)C1CC1 ZINC000193244407 1036582770 /nfs/dbraw/zinc/58/27/70/1036582770.db2.gz QITWDSQMTXPNIS-PKOBYXMFSA-N 0 0 349.434 3.563 10 0 EHAERN O=C(N[C@H]1CCCc2ccc(F)cc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000091232058 1036753032 /nfs/dbraw/zinc/75/30/32/1036753032.db2.gz MWAPVHQINUUHIL-MOXGXCLJSA-N 0 0 346.446 3.540 10 0 EHAERN Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000175387061 1037061657 /nfs/dbraw/zinc/06/16/57/1037061657.db2.gz KJOGCKKPKSLPCL-CQSZACIVSA-N 0 0 336.482 3.676 10 0 EHAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC000105662246 1037234982 /nfs/dbraw/zinc/23/49/82/1037234982.db2.gz AVNQFFOKHGCHHW-HXUWFJFHSA-N 0 0 336.284 3.547 10 0 EHAERN CSCCC(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000105974871 1037267973 /nfs/dbraw/zinc/26/79/73/1037267973.db2.gz RXFLKUGVAMMITP-UHFFFAOYSA-N 0 0 341.436 3.605 10 0 EHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000162559072 1037347542 /nfs/dbraw/zinc/34/75/42/1037347542.db2.gz VXBIPTDYHOOUMR-STQMWFEESA-N 0 0 349.862 3.696 10 0 EHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000162558978 1037348129 /nfs/dbraw/zinc/34/81/29/1037348129.db2.gz VXBIPTDYHOOUMR-CHWSQXEVSA-N 0 0 349.862 3.696 10 0 EHAERN Cc1cccc(S(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)c1 ZINC000103321701 1037588193 /nfs/dbraw/zinc/58/81/93/1037588193.db2.gz GETZBFLGCXIVQK-UHFFFAOYSA-N 0 0 349.358 3.902 10 0 EHAERN O=C1NCCCC[C@H]1SCc1csc(Cc2ccccc2)n1 ZINC000105628919 1037600991 /nfs/dbraw/zinc/60/09/91/1037600991.db2.gz OEDVBKKQXJNQJE-OAHLLOKOSA-N 0 0 332.494 3.636 10 0 EHAERN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](c2nccs2)C1 ZINC000109053341 1037658460 /nfs/dbraw/zinc/65/84/60/1037658460.db2.gz LBONJMMOBJJLSV-NSHDSACASA-N 0 0 341.358 3.577 10 0 EHAERN CSC[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217740 1037779310 /nfs/dbraw/zinc/77/93/10/1037779310.db2.gz WRTBZOPAMGUWFU-ZBFHGGJFSA-N 0 0 343.496 3.782 10 0 EHAERN CCOCCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218191 1037779325 /nfs/dbraw/zinc/77/93/25/1037779325.db2.gz JTGQGCMMYHGUHP-QGZVFWFLSA-N 0 0 341.455 3.599 10 0 EHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@]3(C)CC3(Cl)Cl)C2)n1 ZINC000113206359 1037780528 /nfs/dbraw/zinc/78/05/28/1037780528.db2.gz LVYHMANFFHJFQP-YGRLFVJLSA-N 0 0 347.311 3.995 10 0 EHAERN O=C(NCCSc1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000114820115 1037809822 /nfs/dbraw/zinc/80/98/22/1037809822.db2.gz YBRLQOBTKWYWOX-AWEZNQCLSA-N 0 0 347.509 3.824 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3cccc4ccccc43)CC2)n1 ZINC000116670689 1037839956 /nfs/dbraw/zinc/83/99/56/1037839956.db2.gz VVFKRNLBEOGFDZ-UHFFFAOYSA-N 0 0 345.446 3.942 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)[C@H](C)CC3CCCC3)CC2)n1 ZINC000116670968 1037843862 /nfs/dbraw/zinc/84/38/62/1037843862.db2.gz ONSGSRCPRKXOEB-OAHLLOKOSA-N 0 0 329.488 3.691 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000119871945 1037915179 /nfs/dbraw/zinc/91/51/79/1037915179.db2.gz KQNGFRMGYPLJHX-AWEZNQCLSA-N 0 0 339.439 3.894 10 0 EHAERN CC(C)n1cccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000120192625 1037926812 /nfs/dbraw/zinc/92/68/12/1037926812.db2.gz QMQYNJRKEGFIPX-UHFFFAOYSA-N 0 0 329.419 3.925 10 0 EHAERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000332769238 1037954219 /nfs/dbraw/zinc/95/42/19/1037954219.db2.gz MQQVDKRRJRTXNS-AJNGGQMLSA-N 0 0 342.464 3.640 10 0 EHAERN CC1(C)CN(C(=O)NC[C@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000332841630 1037958064 /nfs/dbraw/zinc/95/80/64/1037958064.db2.gz NOJUTWHIPWNBHY-HIFRSBDPSA-N 0 0 344.484 3.615 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCCC[C@H]2c2nccs2)C[C@H](C)O1 ZINC000332931372 1037965148 /nfs/dbraw/zinc/96/51/48/1037965148.db2.gz RKFHYGCQAXSMFC-XGUBFFRZSA-N 0 0 337.489 3.583 10 0 EHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[C@H](O)C[C@@H]1C ZINC000408078208 1038645385 /nfs/dbraw/zinc/64/53/85/1038645385.db2.gz BBVLSHJBMJOADE-ZFWWWQNUSA-N 0 0 344.480 3.721 10 0 EHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1Cl ZINC000156484629 1038953073 /nfs/dbraw/zinc/95/30/73/1038953073.db2.gz SXNSTDPYISGLHS-IYOUNJFTSA-N 0 0 336.863 3.738 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000156508159 1038997344 /nfs/dbraw/zinc/99/73/44/1038997344.db2.gz VEYOLLVKQWEFIX-JCKWVBRZSA-N 0 0 336.863 3.738 10 0 EHAERN O=C(c1cnc(-c2ccsc2)s1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151186865 1039842950 /nfs/dbraw/zinc/84/29/50/1039842950.db2.gz AGYGECYWMAETBP-CXAGYDPISA-N 0 0 348.493 3.639 10 0 EHAERN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000408437775 1040147631 /nfs/dbraw/zinc/14/76/31/1040147631.db2.gz ZHRMOXOAMJSSFR-OAGGEKHMSA-N 0 0 347.507 3.689 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCC(Cn2cccn2)CC1 ZINC000332877827 1040170632 /nfs/dbraw/zinc/17/06/32/1040170632.db2.gz ZBHROAGWQHVSRF-GUDVDZBRSA-N 0 0 344.503 3.664 10 0 EHAERN O=C(Nc1cccc2c1CCO2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000333033200 1041078157 /nfs/dbraw/zinc/07/81/57/1041078157.db2.gz MVNZPTNNVMNAAB-WDEREUQCSA-N 0 0 328.334 3.864 10 0 EHAERN CCO[C@H]1C[C@H](Nc2ncnc3sc(CC)cc32)C12CCOCC2 ZINC000302244252 1041934919 /nfs/dbraw/zinc/93/49/19/1041934919.db2.gz JYLZWZFVFUIDRR-GJZGRUSLSA-N 0 0 347.484 3.640 10 0 EHAERN CC(C)(O)[C@H]1CCCN1C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000408211059 1042583029 /nfs/dbraw/zinc/58/30/29/1042583029.db2.gz MKTZKMZWCHTIOT-AVVWSFFYSA-N 0 0 336.863 3.531 10 0 EHAERN Cc1ccc2nc(C)c(C(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)cc2c1 ZINC000408212117 1042587491 /nfs/dbraw/zinc/58/74/91/1042587491.db2.gz ULSCQKUUHQCNAX-MJGOQNOKSA-N 0 0 340.467 3.721 10 0 EHAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000161569800 1042672466 /nfs/dbraw/zinc/67/24/66/1042672466.db2.gz UQRXWEBVSBAXNX-GFCCVEGCSA-N 0 0 329.469 3.898 10 0 EHAERN C[C@H](NC(=O)N1CC=C(c2ccccc2F)CC1)c1ccncc1 ZINC000162667790 1042743886 /nfs/dbraw/zinc/74/38/86/1042743886.db2.gz NPZFAWRRAFVTMD-AWEZNQCLSA-N 0 0 325.387 3.781 10 0 EHAERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CC[C@@H]2CCC[C@H]21 ZINC000330286982 1042820787 /nfs/dbraw/zinc/82/07/87/1042820787.db2.gz AZAMDHHINUCDLV-SUMWQHHRSA-N 0 0 339.439 3.872 10 0 EHAERN Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000122151672 1042863624 /nfs/dbraw/zinc/86/36/24/1042863624.db2.gz PVIAGGYPJUTKPW-ILZDJORESA-N 0 0 330.472 3.701 10 0 EHAERN Cc1cc(F)cc(-n2cc(C(=O)N3CCC[C@H]4CCCC[C@H]43)nn2)c1 ZINC000408266144 1042894944 /nfs/dbraw/zinc/89/49/44/1042894944.db2.gz XHUSNEKQBNULOC-RDTXWAMCSA-N 0 0 342.418 3.510 10 0 EHAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000408276417 1042931806 /nfs/dbraw/zinc/93/18/06/1042931806.db2.gz INXKBCCMQITQRE-IWLFRESDSA-N 0 0 342.487 3.587 10 0 EHAERN C[C@H](NC(=O)N1CCC2(C1)CCOCC2)c1cc2cccc(F)c2o1 ZINC000408298825 1042992096 /nfs/dbraw/zinc/99/20/96/1042992096.db2.gz RBBCMEIWGQKKBB-ZDUSSCGKSA-N 0 0 346.402 3.845 10 0 EHAERN O=C(c1cc(-c2ccccc2)ns1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408350572 1043598867 /nfs/dbraw/zinc/59/88/67/1043598867.db2.gz SKVHNLJWARXNBU-DNVCBOLYSA-N 0 0 342.464 3.577 10 0 EHAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000408383211 1044477196 /nfs/dbraw/zinc/47/71/96/1044477196.db2.gz AGZPVDOJZGLLLH-BXWFABGCSA-N 0 0 347.503 3.590 10 0 EHAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000268321988 1128494022 /nfs/dbraw/zinc/49/40/22/1128494022.db2.gz KHTSVDWKEKTAKZ-INIZCTEOSA-N 0 0 340.427 3.503 10 0 EHAERN Cc1cc([C@H](C)NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(C)s1 ZINC000268817646 1128702182 /nfs/dbraw/zinc/70/21/82/1128702182.db2.gz FXUAOYXMMMZAJJ-DHSIGJKJSA-N 0 0 336.501 3.763 10 0 EHAERN O=C(Nc1ccc2ccccc2c1)c1ccc(-n2cnnn2)cc1Cl ZINC000103724033 1132642214 /nfs/dbraw/zinc/64/22/14/1132642214.db2.gz UXRBSUFKMYISKY-UHFFFAOYSA-N 0 0 349.781 3.721 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2cccnc2Cl)cc1 ZINC000103813388 1133557281 /nfs/dbraw/zinc/55/72/81/1133557281.db2.gz UJETXQHPERHQEU-ABAIWWIYSA-N 0 0 344.798 3.687 10 0 EHAERN CCc1nc(CCNC(=O)c2ccc3nc(Cl)ccc3c2)cs1 ZINC000102483002 1135577269 /nfs/dbraw/zinc/57/72/69/1135577269.db2.gz UIMMQDFFBZVJPJ-UHFFFAOYSA-N 0 0 345.855 3.880 10 0 EHAERN CC(C)OC[C@@H](O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000102648436 1135615040 /nfs/dbraw/zinc/61/50/40/1135615040.db2.gz RXAOTEQWXAAVFR-GFCCVEGCSA-N 0 0 342.511 3.541 10 0 EHAERN COc1ccccc1CCN(C)C(=O)c1nc(Cl)ccc1Cl ZINC000104457594 1135816570 /nfs/dbraw/zinc/81/65/70/1135816570.db2.gz QTHLCCCUWMPYBG-UHFFFAOYSA-N 0 0 339.222 3.712 10 0 EHAERN CN(C(=O)c1cccc(C(=O)OCc2ccoc2)c1)c1ccccc1 ZINC000105761226 1135974960 /nfs/dbraw/zinc/97/49/60/1135974960.db2.gz DQPNFCNCFGNKBY-UHFFFAOYSA-N 0 0 335.359 3.913 10 0 EHAERN Cc1ccccc1SCC(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000102153752 1137872480 /nfs/dbraw/zinc/87/24/80/1137872480.db2.gz LCWKJTANRVITOU-UHFFFAOYSA-N 0 0 332.450 3.701 10 0 EHAERN CC[C@@H](C)Sc1ccc(NC(=O)NCCc2nc(C)no2)c(C)c1 ZINC000105026928 1137879910 /nfs/dbraw/zinc/87/99/10/1137879910.db2.gz IRKDUMRGKQVJPC-GFCCVEGCSA-N 0 0 348.472 3.941 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)NCCc1cc(F)cc(F)c1 ZINC000105213682 1137880593 /nfs/dbraw/zinc/88/05/93/1137880593.db2.gz QAUSROPSXHHRGZ-UHFFFAOYSA-N 0 0 347.409 3.567 10 0 EHAERN C[C@H](C1CC1)n1nccc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000105941985 1137882358 /nfs/dbraw/zinc/88/23/58/1137882358.db2.gz OVNNGQVKLBJJHJ-LLVKDONJSA-N 0 0 342.424 3.752 10 0 EHAERN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCCC[C@@H]2c2ncon2)cc1 ZINC000333322020 1138276837 /nfs/dbraw/zinc/27/68/37/1138276837.db2.gz UQKDMCDIEXBLHS-GVDBMIGSSA-N 0 0 325.412 3.625 10 0 EHAERN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1C[C@H]2CCC[C@@H]21 ZINC000333361363 1138280813 /nfs/dbraw/zinc/28/08/13/1138280813.db2.gz UJQKLXNCZBDFGT-VYDXJSESSA-N 0 0 330.428 3.651 10 0 EHAERN C[C@@H]1C[C@@H](CNC(=O)Nc2nc3c(s2)CCC3(C)C)C[C@H](C)O1 ZINC000333521153 1138299584 /nfs/dbraw/zinc/29/95/84/1138299584.db2.gz KSAIANZYTVKGJE-ZSBIGDGJSA-N 0 0 337.489 3.692 10 0 EHAERN C[C@H]1CC[C@@](C)(c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)C1(C)C ZINC000333831919 1138336457 /nfs/dbraw/zinc/33/64/57/1138336457.db2.gz JNRZREJGDKYCKE-FTUNRGFVSA-N 0 0 333.476 3.709 10 0 EHAERN Cc1cc(=O)c(-c2noc(C=C3CCC(C)CC3)n2)c2n1CCC2 ZINC000333903267 1138345414 /nfs/dbraw/zinc/34/54/14/1138345414.db2.gz ZTOLJBGTVDMGGG-UHFFFAOYSA-N 0 0 325.412 3.746 10 0 EHAERN CC1(C)C[C@H](C(=O)N[C@@H]2CCc3ccccc3C2=O)c2ccccc2O1 ZINC000334116327 1138373301 /nfs/dbraw/zinc/37/33/01/1138373301.db2.gz HKQXWMAKWQTAED-ZWKOTPCHSA-N 0 0 349.430 3.645 10 0 EHAERN CO[C@@H](CNC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccccc1 ZINC000186375105 1140200759 /nfs/dbraw/zinc/20/07/59/1140200759.db2.gz MJNQGBXKAFNFPO-IRXDYDNUSA-N 0 0 345.468 3.686 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CSc2ccc(O)cc2)cs1 ZINC000190003174 1140378457 /nfs/dbraw/zinc/37/84/57/1140378457.db2.gz MDEQMUUFPKHZCU-HNNXBMFYSA-N 0 0 334.466 3.613 10 0 EHAERN CC1(C)C[C@@H](NC(=O)[C@H]2CCCc3cccnc32)c2ccccc2O1 ZINC000194698592 1140619254 /nfs/dbraw/zinc/61/92/54/1140619254.db2.gz MJZXYYVZGOGZQL-DLBZAZTESA-N 0 0 336.435 3.920 10 0 EHAERN Nc1cc(Cl)ccc1C[S@](=O)c1ccccc1Br ZINC000050445283 214056711 /nfs/dbraw/zinc/05/67/11/214056711.db2.gz CMPKUOZAIHETDV-GOSISDBHSA-N 0 0 344.661 3.993 10 0 EHAERN COCCN[C@H](c1nc(C)cs1)c1ccc(Br)cc1 ZINC000053288734 214175615 /nfs/dbraw/zinc/17/56/15/214175615.db2.gz ATUFOMQZGCBXFM-ZDUSSCGKSA-N 0 0 341.274 3.539 10 0 EHAERN CCc1ccc(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)cc1 ZINC000054618134 214245979 /nfs/dbraw/zinc/24/59/79/214245979.db2.gz XSSVUMRZOIEOOX-UHFFFAOYSA-N 0 0 327.380 3.501 10 0 EHAERN COC(=O)[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000055195739 214286290 /nfs/dbraw/zinc/28/62/90/214286290.db2.gz BVXUBVGEAWKKTC-MRXNPFEDSA-N 0 0 348.830 3.831 10 0 EHAERN COc1c(Br)cc(Br)cc1C1(C)COC1 ZINC000097758291 219054864 /nfs/dbraw/zinc/05/48/64/219054864.db2.gz UGUSEFXYXDTCOC-UHFFFAOYSA-N 0 0 336.023 3.508 10 0 EHAERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000055743251 214340032 /nfs/dbraw/zinc/34/00/32/214340032.db2.gz VPOLYGHDTPLEHY-SNVBAGLBSA-N 0 0 334.778 3.929 10 0 EHAERN COc1ccc(-c2cc(=O)[nH]c(Nc3cccc(Cl)c3F)n2)cc1 ZINC000057341814 214420627 /nfs/dbraw/zinc/42/06/27/214420627.db2.gz GXCKAHKQDREDFP-UHFFFAOYSA-N 0 0 345.761 3.982 10 0 EHAERN O=C1CO[C@H](COc2cccc3ccccc32)CN1c1ccccc1 ZINC000098180938 219086869 /nfs/dbraw/zinc/08/68/69/219086869.db2.gz CZOOJTOJVNOVHZ-SFHVURJKSA-N 0 0 333.387 3.651 10 0 EHAERN CC(C)Oc1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000100090843 219090547 /nfs/dbraw/zinc/09/05/47/219090547.db2.gz FJKYDAATRPETDJ-UHFFFAOYSA-N 0 0 332.450 3.582 10 0 EHAERN O=C(CN(CC(F)(F)F)C1CC1)c1ccc(Br)cc1 ZINC000042775897 213533514 /nfs/dbraw/zinc/53/35/14/213533514.db2.gz NDXJWAKYCNYUGC-UHFFFAOYSA-N 0 0 336.151 3.659 10 0 EHAERN CCOc1ccccc1-c1csc(NC(=O)c2ccccn2)n1 ZINC000041005284 213407513 /nfs/dbraw/zinc/40/75/13/213407513.db2.gz SXCCZCVGPSPLIP-UHFFFAOYSA-N 0 0 325.393 3.856 10 0 EHAERN Cc1nc(Nc2ncnc(Nc3ccccc3C)c2N)sc1C ZINC000040781172 213386038 /nfs/dbraw/zinc/38/60/38/213386038.db2.gz BDJXJLCMLZUVGX-UHFFFAOYSA-N 0 0 326.429 3.928 10 0 EHAERN COC(=O)c1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1 ZINC000040782027 213386482 /nfs/dbraw/zinc/38/64/82/213386482.db2.gz APHZMJXBXKSKKI-UHFFFAOYSA-N 0 0 349.394 3.641 10 0 EHAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1ccccn1 ZINC000040779182 213386235 /nfs/dbraw/zinc/38/62/35/213386235.db2.gz DIIQBFXPKCJBLC-UHFFFAOYSA-N 0 0 346.316 3.960 10 0 EHAERN Nc1c(NCc2ccco2)ncnc1Nc1cccc2cccnc21 ZINC000040758277 213382965 /nfs/dbraw/zinc/38/29/65/213382965.db2.gz HYGCMYNKTYXCGR-UHFFFAOYSA-N 0 0 332.367 3.556 10 0 EHAERN COc1cccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c1 ZINC000040688123 213369884 /nfs/dbraw/zinc/36/98/84/213369884.db2.gz QPRUQQSHYPYXGK-UHFFFAOYSA-N 0 0 343.337 3.833 10 0 EHAERN C=CC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000040203634 213281326 /nfs/dbraw/zinc/28/13/26/213281326.db2.gz FVKCZJCBWGYVGM-UHFFFAOYSA-N 0 0 339.826 3.583 10 0 EHAERN CC[S@@](=O)c1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1 ZINC000001482573 209754042 /nfs/dbraw/zinc/75/40/42/209754042.db2.gz GJURVSNUAPDFHY-DEOSSOPVSA-N 0 0 337.448 3.686 10 0 EHAERN O=C(CCCn1cc(Cl)cn1)c1ccc(Br)cc1 ZINC000038053734 213198046 /nfs/dbraw/zinc/19/80/46/213198046.db2.gz VYYIYHOARMMGPQ-UHFFFAOYSA-N 0 0 327.609 3.962 10 0 EHAERN COc1ccc(C(=O)N(C)[C@@H](C)CC(C)C)cc1Br ZINC000037982957 213182052 /nfs/dbraw/zinc/18/20/52/213182052.db2.gz HDUOOCFTJWLGPV-NSHDSACASA-N 0 0 328.250 3.964 10 0 EHAERN C[C@H](Oc1ccc2ccccc2c1Br)C(=O)N1CCCC1 ZINC000037974434 213178213 /nfs/dbraw/zinc/17/82/13/213178213.db2.gz LGWUDJWOSINCNY-LBPRGKRZSA-N 0 0 348.240 3.992 10 0 EHAERN NC(=O)C1(Nc2ccccc2Br)CCCCCCC1 ZINC000037944103 213175396 /nfs/dbraw/zinc/17/53/96/213175396.db2.gz HEBWNLWBZUIQST-UHFFFAOYSA-N 0 0 325.250 3.829 10 0 EHAERN CCOc1ccc(-n2nnc(C(=O)Oc3ccc(C)cc3)c2C)cc1 ZINC000036639004 213106374 /nfs/dbraw/zinc/10/63/74/213106374.db2.gz TUDMEXDWQXEBEA-UHFFFAOYSA-N 0 0 337.379 3.502 10 0 EHAERN COc1cccc(CO[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000036315865 213084526 /nfs/dbraw/zinc/08/45/26/213084526.db2.gz MVPINEPVEFSQIV-IBGZPJMESA-N 0 0 340.423 3.908 10 0 EHAERN C/C=C\CO[C@@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000036315952 213084792 /nfs/dbraw/zinc/08/47/92/213084792.db2.gz JJISSRYEWJFUKO-MPNWYJEXSA-N 0 0 338.245 3.646 10 0 EHAERN Nc1ccc2nc(-c3ccccc3I)oc2c1 ZINC000034940004 213002493 /nfs/dbraw/zinc/00/24/93/213002493.db2.gz PAEBOJDRFHWEED-UHFFFAOYSA-N 0 0 336.132 3.682 10 0 EHAERN Oc1cccc(-c2noc(Cc3ccc(Br)cc3)n2)c1 ZINC000034956171 213002680 /nfs/dbraw/zinc/00/26/80/213002680.db2.gz QIBRDPHIKDCJAZ-UHFFFAOYSA-N 0 0 331.169 3.796 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2C(F)(F)F)C(=O)C1 ZINC000071790701 215826644 /nfs/dbraw/zinc/82/66/44/215826644.db2.gz MKIZXFQAHVTDNW-GFCCVEGCSA-N 0 0 343.345 3.999 10 0 EHAERN O=C(/C=C\c1c(F)cccc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000033317194 212924307 /nfs/dbraw/zinc/92/43/07/212924307.db2.gz LCHSCQDWQQRMDT-ALCCZGGFSA-N 0 0 333.746 3.902 10 0 EHAERN O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccccc1F ZINC000032930329 212875991 /nfs/dbraw/zinc/87/59/91/212875991.db2.gz JMUQQPMNUYGGAQ-UHFFFAOYSA-N 0 0 336.366 3.730 10 0 EHAERN N[C@@H](c1ccc(I)c(Cl)c1)C(F)(F)F ZINC000072190928 216068362 /nfs/dbraw/zinc/06/83/62/216068362.db2.gz WUMITHRCAANGNP-ZETCQYMHSA-N 0 0 335.494 3.507 10 0 EHAERN CC(C)(C)OC(=O)N1CCC(COCc2ccc(Cl)nc2)CC1 ZINC000072202860 216069093 /nfs/dbraw/zinc/06/90/93/216069093.db2.gz CKWXLXBVGKCJAW-UHFFFAOYSA-N 0 0 340.851 3.899 10 0 EHAERN CCOc1cccc2sc(NC(=O)c3cccc(OC)c3)nc21 ZINC000000191226 209474457 /nfs/dbraw/zinc/47/44/57/209474457.db2.gz ZSIUILKPYKIWOI-UHFFFAOYSA-N 0 0 328.393 3.956 10 0 EHAERN O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2cccs2)=N1 ZINC000072413709 216204876 /nfs/dbraw/zinc/20/48/76/216204876.db2.gz LCYKCMOWXXZQCF-ZDUSSCGKSA-N 0 0 327.434 3.529 10 0 EHAERN O=c1[nH]c(Nc2ccc(F)cc2)nc2nccc(-c3ccccc3)c21 ZINC000072440036 216233777 /nfs/dbraw/zinc/23/37/77/216233777.db2.gz OQZVXZLHQAGMNW-UHFFFAOYSA-N 0 0 332.338 3.868 10 0 EHAERN CCCCN1CN(c2ccc(CC)cc2)c2nc(C)c(C)c(=O)n2C1 ZINC000072441954 216234903 /nfs/dbraw/zinc/23/49/03/216234903.db2.gz GMTWQPVFOBFTQI-UHFFFAOYSA-N 0 0 340.471 3.591 10 0 EHAERN CCNc1ncc(CN2CCc3[nH]c4c(cccc4Cl)c3C2)cn1 ZINC000072480505 216259481 /nfs/dbraw/zinc/25/94/81/216259481.db2.gz WHGWYWBUUZLMEM-UHFFFAOYSA-N 0 0 341.846 3.601 10 0 EHAERN Nc1cc(Cl)ccc1C(=O)Nc1ccccc1Br ZINC000022218485 212282679 /nfs/dbraw/zinc/28/26/79/212282679.db2.gz GZTSKCSRIRWXQQ-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN CN(N=O)C1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1 ZINC000022054588 212273929 /nfs/dbraw/zinc/27/39/29/212273929.db2.gz VXCCGNWORHEEDF-UHFFFAOYSA-N 0 0 330.750 3.973 10 0 in-vitro EHAERN COc1c(Cl)cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000020928464 212187901 /nfs/dbraw/zinc/18/79/01/212187901.db2.gz AHFRPUMSALJKRG-UHFFFAOYSA-N 0 0 340.206 3.990 10 0 EHAERN Cc1nc2scc(-c3ccc(Cl)cc3)c2c(N(C)CCO)n1 ZINC000020318712 212118883 /nfs/dbraw/zinc/11/88/83/212118883.db2.gz NKDKFWGSNFNGEJ-UHFFFAOYSA-N 0 0 333.844 3.749 10 0 EHAERN COc1ccc(OCc2ccc(F)c(Br)c2)c(N)c1 ZINC000019401082 212025556 /nfs/dbraw/zinc/02/55/56/212025556.db2.gz TYLTTZCHKYQXEL-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(F)c1 ZINC000078948194 217154550 /nfs/dbraw/zinc/15/45/50/217154550.db2.gz UGWFIYZUKBRTGV-UHFFFAOYSA-N 0 0 346.427 3.687 10 0 EHAERN Nc1ccc(-c2ccccc2)cc1NC(=O)c1cn2ccccc2n1 ZINC000089200921 217774410 /nfs/dbraw/zinc/77/44/10/217774410.db2.gz AMKMCTVBSSIEGY-UHFFFAOYSA-N 0 0 328.375 3.836 10 0 EHAERN O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CCc2ccccc21 ZINC000012438948 211382410 /nfs/dbraw/zinc/38/24/10/211382410.db2.gz VJGGLSFQVGLDBF-HNNXBMFYSA-N 0 0 339.420 3.534 10 0 EHAERN CCOc1ccc(Nc2ncnc3sc(C(=O)OC)c(C)c32)cc1 ZINC000012084651 211288369 /nfs/dbraw/zinc/28/83/69/211288369.db2.gz SUHSCSCWEGEUSC-UHFFFAOYSA-N 0 0 343.408 3.929 10 0 EHAERN Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c12 ZINC000009694652 211116367 /nfs/dbraw/zinc/11/63/67/211116367.db2.gz UVKYDGDOXDHFQE-UHFFFAOYSA-N 0 0 342.358 3.670 10 0 EHAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)C1 ZINC000095078246 218273691 /nfs/dbraw/zinc/27/36/91/218273691.db2.gz DATDHHPEBNQWLS-MRXNPFEDSA-N 0 0 341.842 3.699 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](COCC(=O)c2cccs2)C1 ZINC000095085456 218276394 /nfs/dbraw/zinc/27/63/94/218276394.db2.gz LXGWMNFPYPYVHH-ZDUSSCGKSA-N 0 0 339.457 3.595 10 0 EHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOCC(=O)c1ccco1 ZINC000095086385 218277666 /nfs/dbraw/zinc/27/76/66/218277666.db2.gz NGIXQBIVLRNAJB-AWEZNQCLSA-N 0 0 337.416 3.659 10 0 EHAERN C[C@H](c1nccs1)N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088743 218278160 /nfs/dbraw/zinc/27/81/60/218278160.db2.gz QJWGMTIHIBGCAK-OLZOCXBDSA-N 0 0 325.478 3.535 10 0 EHAERN Cc1cnc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1Cl ZINC000095090455 218280063 /nfs/dbraw/zinc/28/00/63/218280063.db2.gz HTPJYXJLKGEWGL-GFCCVEGCSA-N 0 0 341.839 3.607 10 0 EHAERN CC(C)(C)c1ccc(OCCn2c(CCO)nc3ccccc32)cc1 ZINC000008786116 211007940 /nfs/dbraw/zinc/00/79/40/211007940.db2.gz JPSJXUCYTZZHAY-UHFFFAOYSA-N 0 0 338.451 3.948 10 0 EHAERN CSc1ccc(CCNC(=O)Nc2ccc3snnc3c2)cc1 ZINC000005152152 210401327 /nfs/dbraw/zinc/40/13/27/210401327.db2.gz KHGPHKLPTIOGDL-UHFFFAOYSA-N 0 0 344.465 3.777 10 0 EHAERN C[C@H]1CCCC[C@H]1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000004928491 210326002 /nfs/dbraw/zinc/32/60/02/210326002.db2.gz NHYJCNIOYCGGBF-SMDDNHRTSA-N 0 0 333.819 3.622 10 0 EHAERN O=C(c1ccoc1)N1CC[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@H]2C1 ZINC000247882486 257674799 /nfs/dbraw/zinc/67/47/99/257674799.db2.gz WAMFZEHYXALDST-KCXAZCMYSA-N 0 0 344.436 3.606 10 0 EHAERN COc1ccc(CSc2nnc([C@H](N)Cc3ccccc3)o2)cc1 ZINC000040173796 258003679 /nfs/dbraw/zinc/00/36/79/258003679.db2.gz JDLDKYWTLQMKEG-MRXNPFEDSA-N 0 0 341.436 3.613 10 0 EHAERN C[C@H](NC(=O)CCCc1ccc(Br)s1)[C@@H]1CCCO1 ZINC000027881574 524931382 /nfs/dbraw/zinc/93/13/82/524931382.db2.gz PYHOLOWEXYYLTK-JQWIXIFHSA-N 0 0 346.290 3.517 10 0 EHAERN Cc1csc([C@@H](C)NC(=O)N[C@H]2CCCc3c(O)cccc32)n1 ZINC000188483791 526410548 /nfs/dbraw/zinc/41/05/48/526410548.db2.gz MZGWNYYPSBUGFA-RISCZKNCSA-N 0 0 331.441 3.595 10 0 EHAERN CC[C@H]1CO[C@H](C)CN1c1ccc([C@@H](C)O)cc1Br ZINC000061695973 536171214 /nfs/dbraw/zinc/17/12/14/536171214.db2.gz VDJAIVBMPPAUND-WZRBSPASSA-N 0 0 328.250 3.506 10 0 EHAERN FC(F)(F)c1n[nH]c(I)c1-c1ccccc1 ZINC000675077123 564113413 /nfs/dbraw/zinc/11/34/13/564113413.db2.gz YFRVMXUKMNWDEC-UHFFFAOYSA-N 0 0 338.070 3.700 10 0 EHAERN O=C(NCCc1cccs1)c1cc(-c2ccc(F)cc2)ns1 ZINC000065233090 563764904 /nfs/dbraw/zinc/76/49/04/563764904.db2.gz MDEDQDGYDXKVNS-UHFFFAOYSA-N 0 0 332.425 3.983 10 0 EHAERN Cc1nc(Cl)cc(-c2cccc(I)c2)n1 ZINC000409433256 563962139 /nfs/dbraw/zinc/96/21/39/563962139.db2.gz ZIOWAKDDAKVTQG-UHFFFAOYSA-N 0 0 330.556 3.710 10 0 EHAERN O[C@H](c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000087493527 563974375 /nfs/dbraw/zinc/97/43/75/563974375.db2.gz YOGWLKFOBRSSKY-MRXNPFEDSA-N 0 0 337.341 3.882 10 0 EHAERN CC(=O)N1CC[C@H](Nc2nc3ccccc3o2)c2ccc(F)cc2C1 ZINC000241231228 564051893 /nfs/dbraw/zinc/05/18/93/564051893.db2.gz KTEKIXKMDRARQP-INIZCTEOSA-N 0 0 339.370 3.872 10 0 EHAERN C[C@]1(C(=O)N[C@H]2CCCOc3cc(F)ccc32)CC1(Cl)Cl ZINC000182822759 1032098749 /nfs/dbraw/zinc/09/87/49/1032098749.db2.gz JOYUJNWDMZPBAL-SMDDNHRTSA-N 0 0 332.202 3.740 10 0 EHAERN CC[C@]1(c2ccc(N[C@H](C)c3ccoc3)cc2)CCC(=O)NC1=O ZINC000182740443 1032125346 /nfs/dbraw/zinc/12/53/46/1032125346.db2.gz PSBCZTWNIHVMOE-BFUOFWGJSA-N 0 0 326.396 3.537 10 0 EHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCC[C@H](C(C)C)C1)C2 ZINC000112748904 1016044149 /nfs/dbraw/zinc/04/41/49/1016044149.db2.gz OHBNXNRDKWPQSS-JKSUJKDBSA-N 0 0 346.519 3.826 10 0 EHAERN O=C(Nc1cccc2c1CCCC2)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000152185854 1016071618 /nfs/dbraw/zinc/07/16/18/1016071618.db2.gz BAOHUWFGXDKXTN-UZLBHIALSA-N 0 0 328.456 3.724 10 0 EHAERN O=C(c1cc2cc(F)ccc2s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000177985458 1016507793 /nfs/dbraw/zinc/50/77/93/1016507793.db2.gz INUJHHZYRHVGSK-UGSOOPFHSA-N 0 0 333.428 3.808 10 0 EHAERN C[C@H](CC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)C(C)(C)C ZINC000108771545 1016634007 /nfs/dbraw/zinc/63/40/07/1016634007.db2.gz LAMBRPADWOYQFD-CVEARBPZSA-N 0 0 346.519 3.783 10 0 EHAERN O=C(N[C@H]1CCCC[C@H]1O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000408001814 1016842690 /nfs/dbraw/zinc/84/26/90/1016842690.db2.gz BUOUXJZVCQDTOG-WCQYABFASA-N 0 0 327.211 3.508 10 0 EHAERN CC1(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000180979410 1016912459 /nfs/dbraw/zinc/91/24/59/1016912459.db2.gz HSKHLHHBUOXIBV-HZPDHXFCSA-N 0 0 338.398 3.817 10 0 EHAERN CC1(NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000180979470 1016914307 /nfs/dbraw/zinc/91/43/07/1016914307.db2.gz HSKHLHHBUOXIBV-HOTGVXAUSA-N 0 0 338.398 3.817 10 0 EHAERN Cc1c(Cl)cc(F)c(NC(=O)N2CCC([C@@H](C)O)CC2)c1F ZINC000408022910 1017017590 /nfs/dbraw/zinc/01/75/90/1017017590.db2.gz WBQNSPPKCPQXQC-SECBINFHSA-N 0 0 332.778 3.551 10 0 EHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183419190 1032170508 /nfs/dbraw/zinc/17/05/08/1032170508.db2.gz CPYGSVNTMWBPRN-ROUUACIJSA-N 0 0 342.418 3.863 10 0 EHAERN CCC[C@H]1C[C@H](C(=O)N2CCC(c3nc(C)cs3)CC2)CCO1 ZINC000183597067 1032208697 /nfs/dbraw/zinc/20/86/97/1032208697.db2.gz RIUFFCMDFJUWOR-CVEARBPZSA-N 0 0 336.501 3.753 10 0 EHAERN CO[C@@H](C(=O)N1CCC(c2nc(C)cs2)CC1)c1ccccc1 ZINC000183597127 1032209058 /nfs/dbraw/zinc/20/90/58/1032209058.db2.gz KFZNPLMHKLQUKL-MRXNPFEDSA-N 0 0 330.453 3.545 10 0 EHAERN C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1cccc(O)c1 ZINC000183985622 1032220058 /nfs/dbraw/zinc/22/00/58/1032220058.db2.gz JFPDFYANTINZNN-GFCCVEGCSA-N 0 0 329.377 3.582 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H](C)CC(C)(C)C3)C2)n1 ZINC000183820918 1032231009 /nfs/dbraw/zinc/23/10/09/1032231009.db2.gz JQOUQNUYRRVOJK-BMGDILEWSA-N 0 0 346.519 3.596 10 0 EHAERN CCCc1ccccc1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184054335 1032266497 /nfs/dbraw/zinc/26/64/97/1032266497.db2.gz VSXZRWNZGAUSKA-UHFFFAOYSA-N 0 0 338.455 3.778 10 0 EHAERN O=C(c1ccccc1)N1CCCN(CCC(Cl)(Cl)Cl)CC1 ZINC000184418260 1032270800 /nfs/dbraw/zinc/27/08/00/1032270800.db2.gz DUNWFKIEJLSTCH-UHFFFAOYSA-N 0 0 349.689 3.595 10 0 EHAERN O=C(CCc1cccc2c1OCO2)N1CC=C(c2ccccc2)CC1 ZINC000184747764 1032306095 /nfs/dbraw/zinc/30/60/95/1032306095.db2.gz XDEWUZTVJCJIOM-UHFFFAOYSA-N 0 0 335.403 3.664 10 0 EHAERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC34CCC4)c21 ZINC000081416784 1032315257 /nfs/dbraw/zinc/31/52/57/1032315257.db2.gz DIXOFQYHYQTTIG-UHFFFAOYSA-N 0 0 325.412 3.992 10 0 EHAERN CC[C@@H](CC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C ZINC000185505958 1032437291 /nfs/dbraw/zinc/43/72/91/1032437291.db2.gz NATWJZSGXFGJHZ-KXBFYZLASA-N 0 0 348.462 3.808 10 0 EHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119077552 1032561758 /nfs/dbraw/zinc/56/17/58/1032561758.db2.gz HUFCYDNBZZWCHP-KGLIPLIRSA-N 0 0 325.393 3.849 10 0 EHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3cccc(F)c3)C2)c1 ZINC000081521205 1032573422 /nfs/dbraw/zinc/57/34/22/1032573422.db2.gz CHWAZDHPFIAUJC-ZDUSSCGKSA-N 0 0 344.386 3.864 10 0 EHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(F)ccc3F)C2)c1 ZINC000081641428 1032615022 /nfs/dbraw/zinc/61/50/22/1032615022.db2.gz VANSKNQTCUHPLE-GFCCVEGCSA-N 0 0 347.361 3.612 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000176129600 1017319561 /nfs/dbraw/zinc/31/95/61/1017319561.db2.gz IYYPZHYVQHRREB-WUCQLZOISA-N 0 0 340.467 3.785 10 0 EHAERN O=C(N[C@@H]1COc2ccccc21)N1CCCC[C@H]1c1nccs1 ZINC000176285444 1017344114 /nfs/dbraw/zinc/34/41/14/1017344114.db2.gz NWIBEMUJQYTQSY-KGLIPLIRSA-N 0 0 329.425 3.513 10 0 EHAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)N1CC2(CC2)c2ccccc21 ZINC000080740972 1018219468 /nfs/dbraw/zinc/21/94/68/1018219468.db2.gz IPYLSKWNAOLBLR-FUHWJXTLSA-N 0 0 336.439 3.628 10 0 EHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330146176 1018358446 /nfs/dbraw/zinc/35/84/46/1018358446.db2.gz LKKGYKOTPHNLGC-FCEWJHQRSA-N 0 0 348.491 3.649 10 0 EHAERN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c2nccn21 ZINC000333226223 1018894821 /nfs/dbraw/zinc/89/48/21/1018894821.db2.gz XDBJUBBFTXLGJR-VOAKCMCISA-N 0 0 344.381 3.557 10 0 EHAERN C[C@]1(CNC(=O)N[C@H]2CCO[C@H](c3cccs3)C2)CCCS1 ZINC000333244617 1018955831 /nfs/dbraw/zinc/95/58/31/1018955831.db2.gz QRDUZHCHVBPEBW-HEHGZKQESA-N 0 0 340.514 3.553 10 0 EHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccc(C2CC2)c1 ZINC000333490731 1019762020 /nfs/dbraw/zinc/76/20/20/1019762020.db2.gz IUYKIHZYXBPBPD-PAXLWEDBSA-N 0 0 342.483 3.962 10 0 EHAERN C[C@@]12CN(C(=O)CCc3nc(C4CCCC4)no3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333499884 1019794732 /nfs/dbraw/zinc/79/47/32/1019794732.db2.gz KFDVPEFRDZLWKJ-ASKKUZCQSA-N 0 0 343.471 3.554 10 0 EHAERN CC[C@H](C)Oc1cc(CNC(=O)/C=C\c2ccnc(Cl)c2)ccn1 ZINC000588391953 1020166299 /nfs/dbraw/zinc/16/62/99/1020166299.db2.gz FSNZKNWKMCNXFU-ZFDPJTLLSA-N 0 0 345.830 3.637 10 0 EHAERN Cc1cccc(-c2cccc(CNC(=O)/C=C\c3ccncn3)c2)c1 ZINC000588393752 1020236609 /nfs/dbraw/zinc/23/66/09/1020236609.db2.gz JCGLPXLRUHEUFW-HJWRWDBZSA-N 0 0 329.403 3.782 10 0 EHAERN O=C(/C=C\c1ccnc(Cl)c1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000588395607 1020284541 /nfs/dbraw/zinc/28/45/41/1020284541.db2.gz NOMPPOIJCHIXDK-IDTUSYRASA-N 0 0 346.789 3.917 10 0 EHAERN Cc1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1Cl ZINC000119370802 1032914834 /nfs/dbraw/zinc/91/48/34/1032914834.db2.gz YXMVLJUTPFEDDC-CQSZACIVSA-N 0 0 331.803 3.729 10 0 EHAERN CSc1cc(C)ccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000152341705 1021084114 /nfs/dbraw/zinc/08/41/14/1021084114.db2.gz QWAJSQATHKCVOS-LPHOPBHVSA-N 0 0 348.512 3.554 10 0 EHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246489930 1021128281 /nfs/dbraw/zinc/12/82/81/1021128281.db2.gz IFVSGFBEJSJUFZ-FXUDXRNXSA-N 0 0 345.491 3.599 10 0 EHAERN CC(C)(C)OC(=O)NC/C=C/CNC(=O)CC/C=C\c1ccccc1 ZINC000588434132 1022115765 /nfs/dbraw/zinc/11/57/65/1022115765.db2.gz WEBUSOFUJOJBBW-QBZMYZCLSA-N 0 0 344.455 3.677 10 0 EHAERN CC1(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCCC1 ZINC000163954014 1022212433 /nfs/dbraw/zinc/21/24/33/1022212433.db2.gz SNGRWXATSWYDOK-UHFFFAOYSA-N 0 0 348.531 3.988 10 0 EHAERN O=C(CCCc1c[nH]c2ccccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127578889 1022377828 /nfs/dbraw/zinc/37/78/28/1022377828.db2.gz JDOGHYVBCMTTSN-DYESRHJHSA-N 0 0 340.467 3.644 10 0 EHAERN O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128219531 1022420034 /nfs/dbraw/zinc/42/00/34/1022420034.db2.gz VSTYXICFGROLHS-BBRMVZONSA-N 0 0 342.361 3.864 10 0 EHAERN CC(C)Cc1nsc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000328766369 1022484538 /nfs/dbraw/zinc/48/45/38/1022484538.db2.gz FIDNWEDLIDEQDH-CQSZACIVSA-N 0 0 327.457 3.954 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000588453748 1023043081 /nfs/dbraw/zinc/04/30/81/1023043081.db2.gz RUFHZCLFKGBMTN-SREVYHEPSA-N 0 0 328.362 3.529 10 0 EHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000588453391 1023049730 /nfs/dbraw/zinc/04/97/30/1023049730.db2.gz SHAKXQGUPBYXIX-CFYYFVFUSA-N 0 0 330.815 3.640 10 0 EHAERN C[C@H](NC(=O)N1CC[C@H](O)CC12CCC2)c1ccc(F)c(Cl)c1 ZINC000333890439 1023194608 /nfs/dbraw/zinc/19/46/08/1023194608.db2.gz WYXSLRWVGCCKRH-AAEUAGOBSA-N 0 0 340.826 3.629 10 0 EHAERN Cc1cc(C)c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000091153793 1023296697 /nfs/dbraw/zinc/29/66/97/1023296697.db2.gz USBUEQHDKPKOKK-GDBMZVCRSA-N 0 0 336.794 3.684 10 0 EHAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000146795213 1023816478 /nfs/dbraw/zinc/81/64/78/1023816478.db2.gz NBVVMRIKKIHFKD-UHFFFAOYSA-N 0 0 345.393 3.753 10 0 EHAERN Cc1cc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)ccc1F ZINC000103025307 1024017682 /nfs/dbraw/zinc/01/76/82/1024017682.db2.gz JDJBIRIIOCCGMC-ZBEGNZNMSA-N 0 0 326.371 3.981 10 0 EHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000151353837 1024102701 /nfs/dbraw/zinc/10/27/01/1024102701.db2.gz AFDSJAIDBJOQKX-RWMBFGLXSA-N 0 0 347.821 3.712 10 0 EHAERN Cc1nc([C@@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)sc1C ZINC000329745092 1024173531 /nfs/dbraw/zinc/17/35/31/1024173531.db2.gz RAZFUMMQDTYBEA-CQSZACIVSA-N 0 0 347.488 3.949 10 0 EHAERN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccn2C2CCCC2)C1 ZINC000184300526 1024395842 /nfs/dbraw/zinc/39/58/42/1024395842.db2.gz BAOUHEQIUKRQCP-INIZCTEOSA-N 0 0 346.471 3.797 10 0 EHAERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000280907195 1024422111 /nfs/dbraw/zinc/42/21/11/1024422111.db2.gz DBCCACMKYGUUQJ-OITRIXBGSA-N 0 0 342.483 3.645 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)c3ccccc3C(F)(F)F)CCO2)o1 ZINC000151701669 1024445609 /nfs/dbraw/zinc/44/56/09/1024445609.db2.gz FBGCGEJOKUPXMM-OAHLLOKOSA-N 0 0 339.313 3.821 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)CCc3cccc(F)c3)CCO2)o1 ZINC000151730732 1024510184 /nfs/dbraw/zinc/51/01/84/1024510184.db2.gz ILNFZXSFHMVRQL-IFXJQAMLSA-N 0 0 345.414 3.896 10 0 EHAERN CSCc1cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)ccc1F ZINC000151732020 1024514594 /nfs/dbraw/zinc/51/45/94/1024514594.db2.gz DQGIWIJGARZKSN-KRWDZBQOSA-N 0 0 349.427 3.804 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc4nc(C)ccc4c3)CCO2)o1 ZINC000151786076 1024627651 /nfs/dbraw/zinc/62/76/51/1024627651.db2.gz FOVNZEXCSNSPNJ-IBGZPJMESA-N 0 0 336.391 3.658 10 0 EHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC[C@H]3CCC[C@H](C)C3)C2)no1 ZINC000115853656 1025073067 /nfs/dbraw/zinc/07/30/67/1025073067.db2.gz YZTOPVGKFJAABJ-UAGQMJEPSA-N 0 0 348.491 3.559 10 0 EHAERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(n1)CCCC2 ZINC000329001191 1025565769 /nfs/dbraw/zinc/56/57/69/1025565769.db2.gz HOUQRVGIJBJASQ-PBEJRMEISA-N 0 0 342.483 3.506 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)no1 ZINC000329265299 1025705279 /nfs/dbraw/zinc/70/52/79/1025705279.db2.gz FTOLWNMINGACNN-QYZOEREBSA-N 0 0 347.418 3.998 10 0 EHAERN C[C@@H]1CCC[C@H]1c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000329330184 1025757656 /nfs/dbraw/zinc/75/76/56/1025757656.db2.gz LNYKVDSTERLYFQ-OIISXLGYSA-N 0 0 327.428 3.547 10 0 EHAERN Cc1noc(C)c1CCN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000329376690 1025791410 /nfs/dbraw/zinc/79/14/10/1025791410.db2.gz OICDYGPNJSQNFW-MRXNPFEDSA-N 0 0 330.432 3.712 10 0 EHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc4ncccc43)c21 ZINC000103128976 1026065848 /nfs/dbraw/zinc/06/58/48/1026065848.db2.gz UZDXCYDKBRNNSX-UHFFFAOYSA-N 0 0 329.403 3.997 10 0 EHAERN COc1cccc(N2CC[C@H](CNC(=O)CCCC(C)(C)C)C2)c1 ZINC000103434359 1026086444 /nfs/dbraw/zinc/08/64/44/1026086444.db2.gz WHMAFMYFWJMPDT-MRXNPFEDSA-N 0 0 332.488 3.854 10 0 EHAERN CCCC(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000104463634 1026256974 /nfs/dbraw/zinc/25/69/74/1026256974.db2.gz XDYYJMFGKFXEPT-GOSISDBHSA-N 0 0 336.863 3.604 10 0 EHAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248387398 1026284831 /nfs/dbraw/zinc/28/48/31/1026284831.db2.gz PFZQGNOZIPXNCN-QANKJYHBSA-N 0 0 340.471 3.971 10 0 EHAERN COc1ccsc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122327356 1026409001 /nfs/dbraw/zinc/40/90/01/1026409001.db2.gz XRYCJCMKWYPYSA-GXTWGEPZSA-N 0 0 331.437 3.784 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CN(C)[C@H](C)c2ccco2)cc1 ZINC000122913575 1026857861 /nfs/dbraw/zinc/85/78/61/1026857861.db2.gz JURORNODCUAOBQ-CRAIPNDOSA-N 0 0 342.439 3.645 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000126399443 1027199531 /nfs/dbraw/zinc/19/95/31/1027199531.db2.gz KQVRWKXXWDFESX-UHFFFAOYSA-N 0 0 347.821 3.581 10 0 EHAERN O=C(NCCC[C@@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 ZINC000130694782 1027695233 /nfs/dbraw/zinc/69/52/33/1027695233.db2.gz LFDWDRQIFWGAAP-KRWDZBQOSA-N 0 0 346.446 3.974 10 0 EHAERN CCCn1nc(C)c(C(=O)N2CC=C(c3cccs3)CC2)c1C ZINC000131135610 1027741273 /nfs/dbraw/zinc/74/12/73/1027741273.db2.gz HDVYKHWPJQVTQF-UHFFFAOYSA-N 0 0 329.469 3.901 10 0 EHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)cc2cccnc21 ZINC000246159405 1027849650 /nfs/dbraw/zinc/84/96/50/1027849650.db2.gz QVQMUBVDWKWHPM-IAOVAPTHSA-N 0 0 342.826 3.576 10 0 EHAERN CCCOc1cccc(CC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000133333003 1028018702 /nfs/dbraw/zinc/01/87/02/1028018702.db2.gz NRRHEYZUGYWYPO-IBGZPJMESA-N 0 0 343.423 3.519 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(OC(C)C)cc3)CCO2)o1 ZINC000153498044 1028023703 /nfs/dbraw/zinc/02/37/03/1028023703.db2.gz IDIDOCSPBHEGJG-GOSISDBHSA-N 0 0 344.411 3.981 10 0 EHAERN Cc1csc(C(C)(C)NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)n1 ZINC000246244816 1028061195 /nfs/dbraw/zinc/06/11/95/1028061195.db2.gz DRPZCPLJDGDZCT-ARFHVFGLSA-N 0 0 341.480 3.714 10 0 EHAERN CCCCC[C@H](C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)C(C)C ZINC000134365301 1028117322 /nfs/dbraw/zinc/11/73/22/1028117322.db2.gz SJLMZXWBNGPROT-BZSNNMDCSA-N 0 0 349.519 3.545 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(Cl)c1 ZINC000134597865 1028130516 /nfs/dbraw/zinc/13/05/16/1028130516.db2.gz RQPBAOHXRNUFHD-CXAGYDPISA-N 0 0 345.830 3.659 10 0 EHAERN CCOc1cc(C)ccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000153563014 1028193256 /nfs/dbraw/zinc/19/32/56/1028193256.db2.gz DPGFQMJEVZFMIC-SFHVURJKSA-N 0 0 344.411 3.901 10 0 EHAERN O=C(c1c(O)cnc2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000136903631 1028279918 /nfs/dbraw/zinc/27/99/18/1028279918.db2.gz ZDJXPIKPOOTTTF-UHFFFAOYSA-N 0 0 336.416 3.931 10 0 EHAERN CCOc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153596638 1028282321 /nfs/dbraw/zinc/28/23/21/1028282321.db2.gz SNCNLWZIWDQNLO-KRWDZBQOSA-N 0 0 330.384 3.592 10 0 EHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)c1cccnc1 ZINC000137002553 1028284261 /nfs/dbraw/zinc/28/42/61/1028284261.db2.gz XFYGGCYCCCYKSB-CXAGYDPISA-N 0 0 345.830 3.659 10 0 EHAERN CC(C)Oc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000137101150 1028293274 /nfs/dbraw/zinc/29/32/74/1028293274.db2.gz OTNSUZWFNHLDQX-SFHVURJKSA-N 0 0 341.411 3.554 10 0 EHAERN CN1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000056045517 1028307366 /nfs/dbraw/zinc/30/73/66/1028307366.db2.gz HTFGQAKGAHWVPW-QGZVFWFLSA-N 0 0 347.462 3.840 10 0 EHAERN COc1ccc(SCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000067046652 1028351373 /nfs/dbraw/zinc/35/13/73/1028351373.db2.gz HVDNJVILHGNRED-ZDUSSCGKSA-N 0 0 348.493 3.650 10 0 EHAERN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047527 1028352909 /nfs/dbraw/zinc/35/29/09/1028352909.db2.gz JTEROAXITXZQCA-CQSZACIVSA-N 0 0 339.420 3.818 10 0 EHAERN CC(C)NC(=O)c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC000248427566 1028365718 /nfs/dbraw/zinc/36/57/18/1028365718.db2.gz OTPNXTZUFXIRDE-JCGIZDLHSA-N 0 0 343.471 3.867 10 0 EHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H](O)CC23CCC3)cc1 ZINC000333595403 1028391771 /nfs/dbraw/zinc/39/17/71/1028391771.db2.gz VSJUCPNCWJXYRF-MAUKXSAKSA-N 0 0 330.472 3.960 10 0 EHAERN O=C(CCc1cccs1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062079015 1028440699 /nfs/dbraw/zinc/44/06/99/1028440699.db2.gz CMHCHPRLOAZARE-MRXNPFEDSA-N 0 0 329.465 3.998 10 0 EHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)NCc1ccccc1 ZINC000062576103 1028449162 /nfs/dbraw/zinc/44/91/62/1028449162.db2.gz VEOVVUGDRYQRCJ-UHFFFAOYSA-N 0 0 335.407 3.692 10 0 EHAERN O=C(/C=C\c1cnc2ccccc2n1)Nc1cc(Cl)nc(Cl)c1 ZINC000588563029 1028461237 /nfs/dbraw/zinc/46/12/37/1028461237.db2.gz GKPQJNKXDHLDNR-WAYWQWQTSA-N 0 0 345.189 3.984 10 0 EHAERN O=C([C@H]1CCCO[C@@H]1c1ccccc1)N1CCn2c3ccccc3nc21 ZINC000193804322 1028468115 /nfs/dbraw/zinc/46/81/15/1028468115.db2.gz DGZMZLROUJDVPT-QFBILLFUSA-N 0 0 347.418 3.551 10 0 EHAERN c1cn(Cc2ccccc2)c(CN2CCC(Oc3ccccc3)CC2)n1 ZINC000064792182 1028475546 /nfs/dbraw/zinc/47/55/46/1028475546.db2.gz UNVKJPRRPPCZNW-UHFFFAOYSA-N 0 0 347.462 3.975 10 0 EHAERN O=C([C@H]1CCCc2cccnc21)N1CCCc2c(F)ccc(F)c21 ZINC000194698203 1028540011 /nfs/dbraw/zinc/54/00/11/1028540011.db2.gz SWZYTJQXQFPZMW-AWEZNQCLSA-N 0 0 328.362 3.759 10 0 EHAERN Fc1ccc2c(c1)[C@H](N[C@@H](c1cccs1)c1ncc[nH]1)CCO2 ZINC000195125379 1028584726 /nfs/dbraw/zinc/58/47/26/1028584726.db2.gz ISHKFIARNWNDOH-CJNGLKHVSA-N 0 0 329.400 3.813 10 0 EHAERN O=C(N[C@H]1COc2ccccc21)N1CCCCC[C@H]1c1ccncc1 ZINC000195196628 1028591013 /nfs/dbraw/zinc/59/10/13/1028591013.db2.gz UPTOMXPFDNNNMF-ROUUACIJSA-N 0 0 337.423 3.842 10 0 EHAERN Clc1ccc2nc(CN3CCC[C@@H](c4nccs4)C3)cn2c1 ZINC000195357979 1028598780 /nfs/dbraw/zinc/59/87/80/1028598780.db2.gz RBPJPVYBXIRMDJ-GFCCVEGCSA-N 0 0 332.860 3.824 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000074435475 1028614284 /nfs/dbraw/zinc/61/42/84/1028614284.db2.gz HFFIJLYCQKQUOK-CRAIPNDOSA-N 0 0 344.503 3.579 10 0 EHAERN CCCn1c2ccccc2nc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246838586 1028700965 /nfs/dbraw/zinc/70/09/65/1028700965.db2.gz RVIOHYYSILCEOM-APWZRJJASA-N 0 0 337.471 3.726 10 0 EHAERN CC(C)C(=O)Nc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000246946125 1028716152 /nfs/dbraw/zinc/71/61/52/1028716152.db2.gz LXJSJPVWQBXDIF-VAMGGRTRSA-N 0 0 348.446 3.597 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@H](C)c3cccnc3)C2)cc1 ZINC000247303389 1028774245 /nfs/dbraw/zinc/77/42/45/1028774245.db2.gz GHQYYKCFMOSIGY-IIDMSEBBSA-N 0 0 339.439 3.739 10 0 EHAERN CCCc1nc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000247324834 1028776109 /nfs/dbraw/zinc/77/61/09/1028776109.db2.gz XVQSNVSVNWSILP-HUUCEWRRSA-N 0 0 349.500 3.952 10 0 EHAERN c1csc(-c2nc(CN3CCS[C@@H]4COCC[C@H]43)cs2)c1 ZINC000247317536 1028776467 /nfs/dbraw/zinc/77/64/67/1028776467.db2.gz VXTBDPFBTDOSOM-TZMCWYRMSA-N 0 0 338.523 3.578 10 0 EHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(F)c(C(F)(F)F)c1 ZINC000247485987 1028791719 /nfs/dbraw/zinc/79/17/19/1028791719.db2.gz RHAHZTKEHXDGPM-ZLKJLUDKSA-N 0 0 331.309 3.532 10 0 EHAERN CCOc1ccc(C(C)=O)cc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245596860 1028906212 /nfs/dbraw/zinc/90/62/12/1028906212.db2.gz LPKJSCPGXJAPCD-BEFAXECRSA-N 0 0 341.455 3.568 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(F)ccc3Cl)CCO2)o1 ZINC000153926520 1028939515 /nfs/dbraw/zinc/93/95/15/1028939515.db2.gz ZXKKUXXBFXOIFM-OAHLLOKOSA-N 0 0 338.766 3.986 10 0 EHAERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000248715324 1028939713 /nfs/dbraw/zinc/93/97/13/1028939713.db2.gz RFASHJSZASQMGV-LBTNJELSSA-N 0 0 334.419 3.588 10 0 EHAERN CCCn1c(C)nnc1CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249412182 1029000682 /nfs/dbraw/zinc/00/06/82/1029000682.db2.gz VMHSCDLPMAPMSL-DYVFJYSZSA-N 0 0 348.878 3.612 10 0 EHAERN CC[C@H]1CC[C@H](C(=O)N2CCCN(C(=O)c3cccs3)CC2)CC1 ZINC000249461721 1029003885 /nfs/dbraw/zinc/00/38/85/1029003885.db2.gz FRUDDLOUPBDCOD-WKILWMFISA-N 0 0 348.512 3.639 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)[C@@H](C)C1 ZINC000249483868 1029004397 /nfs/dbraw/zinc/00/43/97/1029004397.db2.gz XOJPGZSTKWLFHE-XUJVJEKNSA-N 0 0 330.432 3.610 10 0 EHAERN C[C@]1(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CC1(Cl)Cl ZINC000076513495 1029007923 /nfs/dbraw/zinc/00/79/23/1029007923.db2.gz SHDYDOHSOHGDIN-IUODEOHRSA-N 0 0 330.230 3.801 10 0 EHAERN Cc1cscc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245703317 1029059177 /nfs/dbraw/zinc/05/91/77/1029059177.db2.gz RIBWCGVIHVFQCS-CVEARBPZSA-N 0 0 336.407 3.510 10 0 EHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2ccccn2)cc1 ZINC000077211459 1029090320 /nfs/dbraw/zinc/09/03/20/1029090320.db2.gz DGJBHNITFUGOIC-MRXNPFEDSA-N 0 0 328.437 3.546 10 0 EHAERN CC1CCN(c2ccc(NC(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)cc2)CC1 ZINC000251436926 1029125371 /nfs/dbraw/zinc/12/53/71/1029125371.db2.gz AWSHHYMONHXNEO-IPMKNSEASA-N 0 0 343.471 3.612 10 0 EHAERN CCc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000251997641 1029173843 /nfs/dbraw/zinc/17/38/43/1029173843.db2.gz LKFZMGFVMJIYSF-UHFFFAOYSA-N 0 0 342.483 3.504 10 0 EHAERN Cc1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1N(C)C ZINC000114808571 1029836258 /nfs/dbraw/zinc/83/62/58/1029836258.db2.gz WBTYIGPZQIIYOR-CQSZACIVSA-N 0 0 344.484 3.929 10 0 EHAERN CSc1cccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000156404458 1029837196 /nfs/dbraw/zinc/83/71/96/1029837196.db2.gz APEIIWGGCWBGAW-UHFFFAOYSA-N 0 0 344.484 3.629 10 0 EHAERN O=C(NCc1cccc(Cl)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114818530 1029844598 /nfs/dbraw/zinc/84/45/98/1029844598.db2.gz RKYNJJFGFKTOKI-ZDUSSCGKSA-N 0 0 335.860 3.886 10 0 EHAERN Cc1csc2nc(C)nc(N3CC[C@H](C)[C@@H](n4ccnc4)C3)c12 ZINC000274720935 1029845585 /nfs/dbraw/zinc/84/55/85/1029845585.db2.gz XUKGFUNZBOLRGR-FZMZJTMJSA-N 0 0 327.457 3.592 10 0 EHAERN COc1ccccc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000090202463 1030089602 /nfs/dbraw/zinc/08/96/02/1030089602.db2.gz PSKDUGLWBIPLRA-MRXNPFEDSA-N 0 0 329.787 3.611 10 0 EHAERN Cc1ccc(-c2cncc(C(=O)Nc3cc4c(cc3N)OCO4)c2)cc1 ZINC000159495940 1030233727 /nfs/dbraw/zinc/23/37/27/1030233727.db2.gz JKGDMEOMNNTFGO-UHFFFAOYSA-N 0 0 347.374 3.620 10 0 EHAERN C[C@@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccncc1 ZINC000114912410 1030381665 /nfs/dbraw/zinc/38/16/65/1030381665.db2.gz TZLRGCKKIAOFCE-CQSZACIVSA-N 0 0 349.438 3.608 10 0 EHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)COC2 ZINC000092162712 1030391331 /nfs/dbraw/zinc/39/13/31/1030391331.db2.gz ANYHPFXYCZOBIR-CQSZACIVSA-N 0 0 337.423 3.589 10 0 EHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnn(C(C)C)c3C)C2)cc1 ZINC000092465323 1030458691 /nfs/dbraw/zinc/45/86/91/1030458691.db2.gz SIKXDZANAQXSIB-YOEHRIQHSA-N 0 0 341.455 3.799 10 0 EHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)o1 ZINC000249200527 1030584448 /nfs/dbraw/zinc/58/44/48/1030584448.db2.gz QWIVPXMQGYLMTG-PVWIJFIWSA-N 0 0 332.444 3.638 10 0 EHAERN O=C(CCCOc1cccc(F)c1)Nc1cccc(-c2ncon2)c1 ZINC000170632144 1030691002 /nfs/dbraw/zinc/69/10/02/1030691002.db2.gz QOEPZLPFEICLRL-UHFFFAOYSA-N 0 0 341.342 3.673 10 0 EHAERN CCCOc1ccc(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000170679761 1030698904 /nfs/dbraw/zinc/69/89/04/1030698904.db2.gz BKYRHOCNDBKKGD-JEJOPICUSA-N 0 0 339.439 3.618 10 0 EHAERN Cc1csc(C2CCN(C(=O)N3CCc4ccccc43)CC2)n1 ZINC000171307988 1030753719 /nfs/dbraw/zinc/75/37/19/1030753719.db2.gz GTIIKRJHFZFDAZ-UHFFFAOYSA-N 0 0 327.453 3.814 10 0 EHAERN O=C(Nc1ccc(-n2ccnn2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000171160981 1030767522 /nfs/dbraw/zinc/76/75/22/1030767522.db2.gz VTANZPRBIKMQGN-UHFFFAOYSA-N 0 0 345.406 3.589 10 0 EHAERN O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cc2ccccn2)CC1 ZINC000171614619 1030767901 /nfs/dbraw/zinc/76/79/01/1030767901.db2.gz TYMAHMTTWKPUOD-UHFFFAOYSA-N 0 0 349.356 3.590 10 0 EHAERN O=C(COc1ccccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000171646633 1030772885 /nfs/dbraw/zinc/77/28/85/1030772885.db2.gz ZMWWNCOUWKNQKB-GFCCVEGCSA-N 0 0 336.844 3.582 10 0 EHAERN O=C(c1coc(Br)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171612223 1030801101 /nfs/dbraw/zinc/80/11/01/1030801101.db2.gz RSGQMURBXAFVJX-UHFFFAOYSA-N 0 0 349.228 3.532 10 0 EHAERN O=C(c1cccs1)N1CCC(c2nc(C3CCCC3)no2)CC1 ZINC000171790822 1030817180 /nfs/dbraw/zinc/81/71/80/1030817180.db2.gz DTMHKFAVKVLACQ-UHFFFAOYSA-N 0 0 331.441 3.809 10 0 EHAERN CC[C@@H](OC1CCCC1)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171976849 1030857024 /nfs/dbraw/zinc/85/70/24/1030857024.db2.gz KIGKWJLKULEPJG-LJQANCHMSA-N 0 0 330.472 3.601 10 0 EHAERN O=C(NCCCOc1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000172222512 1030873458 /nfs/dbraw/zinc/87/34/58/1030873458.db2.gz GLWDFIMXDGKPJG-OAHLLOKOSA-N 0 0 345.468 3.501 10 0 EHAERN Cc1c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cnn1-c1cccc(C)c1 ZINC000329490606 1030914747 /nfs/dbraw/zinc/91/47/47/1030914747.db2.gz HYYUVCSSDAOFBY-IBGZPJMESA-N 0 0 349.438 3.580 10 0 EHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC(C)(C)C3)C2)n1 ZINC000248547598 1030988224 /nfs/dbraw/zinc/98/82/24/1030988224.db2.gz JQOUQNUYRRVOJK-ZTFGCOKTSA-N 0 0 346.519 3.596 10 0 EHAERN CCOc1c(F)cccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173043200 1031050849 /nfs/dbraw/zinc/05/08/49/1031050849.db2.gz CYAHVOLMIYOMKT-GFCCVEGCSA-N 0 0 334.416 3.701 10 0 EHAERN CCOCOc1ccc(COC(=O)/C=C\c2ccnc(Cl)c2)cc1 ZINC000588586031 1031055414 /nfs/dbraw/zinc/05/54/14/1031055414.db2.gz IWDXZZADNZHMFS-YVMONPNESA-N 0 0 347.798 3.864 10 0 EHAERN C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000158089431 1031080866 /nfs/dbraw/zinc/08/08/66/1031080866.db2.gz QNHPWPWYHBLMBL-LBPRGKRZSA-N 0 0 325.343 3.693 10 0 EHAERN C[C@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1cccnc1 ZINC000173641237 1031124013 /nfs/dbraw/zinc/12/40/13/1031124013.db2.gz NWWXJTYOUUZHSE-AWEZNQCLSA-N 0 0 335.407 3.733 10 0 EHAERN CCC[C@]1(C)CCCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1 ZINC000173658363 1031126345 /nfs/dbraw/zinc/12/63/45/1031126345.db2.gz DKQWAKBPXIIRFK-HXUWFJFHSA-N 0 0 343.471 3.567 10 0 EHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000173915278 1031131311 /nfs/dbraw/zinc/13/13/11/1031131311.db2.gz STAFHNJHEXAKQW-AVYPCKFXSA-N 0 0 347.418 3.614 10 0 EHAERN Cc1nc(C)c(C(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000174081047 1031163341 /nfs/dbraw/zinc/16/33/41/1031163341.db2.gz OZGYXFNAGQUZEW-UHFFFAOYSA-N 0 0 333.432 3.616 10 0 EHAERN Cc1ccc(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)nc1 ZINC000174214113 1031178830 /nfs/dbraw/zinc/17/88/30/1031178830.db2.gz PRUKIKZGNKJIMR-UHFFFAOYSA-N 0 0 344.846 3.834 10 0 EHAERN Cc1c(Cl)cc(NC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1Cl ZINC000251691297 1031194377 /nfs/dbraw/zinc/19/43/77/1031194377.db2.gz JLLHIWSYCMCVPY-GDLCADMTSA-N 0 0 329.227 3.991 10 0 EHAERN C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1nccs1 ZINC000175417571 1031307309 /nfs/dbraw/zinc/30/73/09/1031307309.db2.gz VVODSZPLBPYXFW-CYBMUJFWSA-N 0 0 337.489 3.585 10 0 EHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCC(=O)c1cccs1 ZINC000175206454 1031311355 /nfs/dbraw/zinc/31/13/55/1031311355.db2.gz PZOYMEXDKCFBIG-CQSZACIVSA-N 0 0 342.464 3.578 10 0 EHAERN CC(C)C[C@H](C)OCCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000176317679 1031425593 /nfs/dbraw/zinc/42/55/93/1031425593.db2.gz QWAXTDXWRRMACR-KRWDZBQOSA-N 0 0 332.488 3.704 10 0 EHAERN CC(C(=O)N[C@H](c1noc(C)n1)c1ccccc1F)=C1CCCC1 ZINC000176644067 1031467306 /nfs/dbraw/zinc/46/73/06/1031467306.db2.gz WMFJRAFBBNHUFP-INIZCTEOSA-N 0 0 329.375 3.613 10 0 EHAERN O=C(N1CCC(Cc2ccccn2)CC1)C1(Cc2ccccc2)CC1 ZINC000177468646 1031541957 /nfs/dbraw/zinc/54/19/57/1031541957.db2.gz PTFTVAWFGCHCGG-UHFFFAOYSA-N 0 0 334.463 3.886 10 0 EHAERN COc1ccccc1NC(=O)COc1ccc(Cl)cc1C(C)=O ZINC000004283738 1031554586 /nfs/dbraw/zinc/55/45/86/1031554586.db2.gz NBNUQMOXDYBSKA-UHFFFAOYSA-N 0 0 333.771 3.569 10 0 EHAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1sc2ccccc2c1Cl ZINC000178300071 1031652692 /nfs/dbraw/zinc/65/26/92/1031652692.db2.gz WVEQGHOQISWAMH-CJNGLKHVSA-N 0 0 343.835 3.943 10 0 EHAERN O=c1cc(N2CCC[C@H]2c2ccc(Cl)cc2)nc2ccccn12 ZINC000178322624 1031681248 /nfs/dbraw/zinc/68/12/48/1031681248.db2.gz XOMUBIKGGIWJPB-HNNXBMFYSA-N 0 0 325.799 3.689 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000178925428 1031720435 /nfs/dbraw/zinc/72/04/35/1031720435.db2.gz ZUGFWGNSENTWCJ-GJQZQERQSA-N 0 0 331.460 3.519 10 0 EHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4scnc4c3)CCO2)o1 ZINC000179398020 1031745709 /nfs/dbraw/zinc/74/57/09/1031745709.db2.gz KFVOYTNBBFVFIC-OAHLLOKOSA-N 0 0 343.408 3.803 10 0 EHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(Cl)nc2)c2ccccc2)[nH]1 ZINC000179119429 1031752789 /nfs/dbraw/zinc/75/27/89/1031752789.db2.gz LTDRONJLEJQRKL-ZBEGNZNMSA-N 0 0 327.819 3.602 10 0 EHAERN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179339373 1031767745 /nfs/dbraw/zinc/76/77/45/1031767745.db2.gz WWASIJNOVPWMMJ-SFHVURJKSA-N 0 0 349.438 3.532 10 0 EHAERN Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179478596 1031776632 /nfs/dbraw/zinc/77/66/32/1031776632.db2.gz KYAJTJSARTXIPR-NSHDSACASA-N 0 0 339.399 3.607 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000117623258 1031783182 /nfs/dbraw/zinc/78/31/82/1031783182.db2.gz RFZHGBKBVDUFCK-XIKOKIGWSA-N 0 0 337.354 3.515 10 0 EHAERN O=C(C[C@H](O)c1ccccc1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000179627018 1031793898 /nfs/dbraw/zinc/79/38/98/1031793898.db2.gz HOCLDJFYABLRKN-SJORKVTESA-N 0 0 345.826 3.794 10 0 EHAERN Cc1c([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)cnn1-c1ccccn1 ZINC000179897905 1031818404 /nfs/dbraw/zinc/81/84/04/1031818404.db2.gz KHMAZRBQOCHOOF-CQSZACIVSA-N 0 0 349.438 3.577 10 0 EHAERN O=C(c1ccc(-c2ncon2)cc1)N1CC=C(c2cccs2)CC1 ZINC000117721230 1031841292 /nfs/dbraw/zinc/84/12/92/1031841292.db2.gz DWZDIMLXKLOEPN-UHFFFAOYSA-N 0 0 337.404 3.728 10 0 EHAERN O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@H]1Cn1ccnc1 ZINC000180372323 1031847467 /nfs/dbraw/zinc/84/74/67/1031847467.db2.gz GUAQOXYHEAIQNB-NSHDSACASA-N 0 0 339.226 3.886 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC000180201096 1031867386 /nfs/dbraw/zinc/86/73/86/1031867386.db2.gz TVGOJNRBQKADLT-HUUCEWRRSA-N 0 0 329.488 3.547 10 0 EHAERN Cc1cccc(N2CCC(NC(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC000180201080 1031868325 /nfs/dbraw/zinc/86/83/25/1031868325.db2.gz TVGOJNRBQKADLT-GJZGRUSLSA-N 0 0 329.488 3.547 10 0 EHAERN O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[C@H]1Cn1ccnc1 ZINC000180712805 1031900714 /nfs/dbraw/zinc/90/07/14/1031900714.db2.gz RWSZZMJEDCNDOS-NRXISQOPSA-N 0 0 343.393 3.633 10 0 EHAERN O=C(CSCc1ccncc1)N1CC=C(c2cccs2)CC1 ZINC000117857155 1031911738 /nfs/dbraw/zinc/91/17/38/1031911738.db2.gz HHYYHCHIFKURLG-UHFFFAOYSA-N 0 0 330.478 3.692 10 0 EHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(Br)c(C)c1 ZINC000180934023 1031924934 /nfs/dbraw/zinc/92/49/34/1031924934.db2.gz FHSYFQMPYJDFOY-IAQYHMDHSA-N 0 0 349.276 3.843 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnn(CC(C)C)c3)C2)cc1 ZINC000181037435 1031940761 /nfs/dbraw/zinc/94/07/61/1031940761.db2.gz CHXXOQCPCUOIMP-WBVHZDCISA-N 0 0 341.455 3.566 10 0 EHAERN COC(=O)c1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000118012140 1032017382 /nfs/dbraw/zinc/01/73/82/1032017382.db2.gz GFWKONFOMSMUPC-UHFFFAOYSA-N 0 0 342.420 3.856 10 0 EHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000120152454 1033400083 /nfs/dbraw/zinc/40/00/83/1033400083.db2.gz XGEAPUIWLZCUCQ-ZDUSSCGKSA-N 0 0 344.465 3.962 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000083013889 1033840172 /nfs/dbraw/zinc/84/01/72/1033840172.db2.gz DXTNJXORPFIVSJ-XIKOKIGWSA-N 0 0 342.464 3.545 10 0 EHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1N(C)C ZINC000083544651 1033881476 /nfs/dbraw/zinc/88/14/76/1033881476.db2.gz NKJALEFVWHRWJF-OAHLLOKOSA-N 0 0 338.455 3.625 10 0 EHAERN CCOC(=O)c1c(C)csc1NC(=O)c1cccc(F)c1F ZINC000102213245 1034445521 /nfs/dbraw/zinc/44/55/21/1034445521.db2.gz TZPIXYARYHEJBO-UHFFFAOYSA-N 0 0 325.336 3.764 10 0 EHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc[nH]c3=S)C2)cc1 ZINC000121303726 1034814052 /nfs/dbraw/zinc/81/40/52/1034814052.db2.gz ZHMBWTNEZSDYFB-OCCSQVGLSA-N 0 0 328.437 3.771 10 0 EHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000121308480 1034816438 /nfs/dbraw/zinc/81/64/38/1034816438.db2.gz WNLYTMHJDNWHIF-YPZZQQJBSA-N 0 0 329.440 3.515 10 0 EHAERN O=c1[nH]c2ccccc2cc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185865590 1035552878 /nfs/dbraw/zinc/55/28/78/1035552878.db2.gz GQOYKVKWJUKCRH-UHFFFAOYSA-N 0 0 342.402 3.687 10 0 EHAERN O=C(Cc1ccc2ccccc2c1)N1CCCN(c2ccccn2)CC1 ZINC000186413762 1035630811 /nfs/dbraw/zinc/63/08/11/1035630811.db2.gz INKYKWSRROTTSN-UHFFFAOYSA-N 0 0 345.446 3.516 10 0 EHAERN CC(C)Oc1ccc(CC(=O)N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000186471008 1035639284 /nfs/dbraw/zinc/63/92/84/1035639284.db2.gz RTGYACBNAAXXDZ-QGZVFWFLSA-N 0 0 345.464 3.678 10 0 EHAERN C[C@H](CCC(=O)N1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000186385042 1035651380 /nfs/dbraw/zinc/65/13/80/1035651380.db2.gz SOPFWJHJGAITKZ-GOSISDBHSA-N 0 0 337.467 3.704 10 0 EHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc2c(c1)OCO2 ZINC000186553198 1035658263 /nfs/dbraw/zinc/65/82/63/1035658263.db2.gz PRJUWPMQZKSZKY-LLVKDONJSA-N 0 0 325.368 3.566 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccnc(OC3CCC3)c2)cs1 ZINC000187029432 1035742124 /nfs/dbraw/zinc/74/21/24/1035742124.db2.gz YNESLUIDRTWECW-INIZCTEOSA-N 0 0 343.452 3.755 10 0 EHAERN CC(F)(F)c1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000186955143 1035749997 /nfs/dbraw/zinc/74/99/97/1035749997.db2.gz CAKKPUHSUUAEKP-JKSUJKDBSA-N 0 0 332.350 3.578 10 0 EHAERN O=C(C=Cc1ccc[nH]1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000187963307 1035873196 /nfs/dbraw/zinc/87/31/96/1035873196.db2.gz WZCMCEHHNHRRBO-DVQDXYAYSA-N 0 0 346.434 3.824 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(F)cc2)cs1 ZINC000188118197 1035899620 /nfs/dbraw/zinc/89/96/20/1035899620.db2.gz MQYJILXZLMWOAK-INIZCTEOSA-N 0 0 346.427 3.917 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cn(C)c3ccccc23)cs1 ZINC000188122143 1035900472 /nfs/dbraw/zinc/90/04/72/1035900472.db2.gz JYAMIHIXVKRMDN-KRWDZBQOSA-N 0 0 325.437 3.921 10 0 EHAERN CC(=O)Nc1ccc(NC(=O)N[C@H]2CCOc3c(C)cccc32)cc1 ZINC000188630869 1035964962 /nfs/dbraw/zinc/96/49/62/1035964962.db2.gz YSQXTFASXOCHSM-KRWDZBQOSA-N 0 0 339.395 3.599 10 0 EHAERN COc1cc(C)ccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188696278 1035972054 /nfs/dbraw/zinc/97/20/54/1035972054.db2.gz UYOLJIUTTVKODF-UHFFFAOYSA-N 0 0 346.456 3.569 10 0 EHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000189646268 1036106257 /nfs/dbraw/zinc/10/62/57/1036106257.db2.gz ARRZCCTWPBBCMT-AWEZNQCLSA-N 0 0 332.835 3.621 10 0 EHAERN Cc1ccc(CC(=O)N2CC3(CCOCC3)c3ccccc32)s1 ZINC000189847933 1036155682 /nfs/dbraw/zinc/15/56/82/1036155682.db2.gz YQNTZSVFZYFEER-UHFFFAOYSA-N 0 0 327.449 3.694 10 0 EHAERN CCc1oc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1C ZINC000189862363 1036158744 /nfs/dbraw/zinc/15/87/44/1036158744.db2.gz MTTCKCVRNPQETN-UHFFFAOYSA-N 0 0 325.408 3.859 10 0 EHAERN Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189959859 1036167654 /nfs/dbraw/zinc/16/76/54/1036167654.db2.gz CEHWIZOJDYEMKU-HNNXBMFYSA-N 0 0 349.390 3.607 10 0 EHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc4ccn(C)c43)CCO2)o1 ZINC000190047044 1036186228 /nfs/dbraw/zinc/18/62/28/1036186228.db2.gz LAXBQNZSQLYLAA-KRWDZBQOSA-N 0 0 339.395 3.685 10 0 EHAERN C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190362407 1036229402 /nfs/dbraw/zinc/22/94/02/1036229402.db2.gz PRFWIJOHEHDDAD-WOPDTQHZSA-N 0 0 339.436 3.574 10 0 EHAERN Cc1cc(C)c(CC(=O)N2CCC(Nc3nccs3)CC2)c(C)c1 ZINC000190378028 1036232484 /nfs/dbraw/zinc/23/24/84/1036232484.db2.gz JLYKPZZVWAYSFA-UHFFFAOYSA-N 0 0 343.496 3.714 10 0 EHAERN C[C@H](Cc1ccccc1F)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190421746 1036238639 /nfs/dbraw/zinc/23/86/39/1036238639.db2.gz VPIZYENOKVGOAI-CYBMUJFWSA-N 0 0 347.459 3.564 10 0 EHAERN CSc1ccc(C)c(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190440807 1036239898 /nfs/dbraw/zinc/23/98/98/1036239898.db2.gz WDTROFJTKKPDJB-UHFFFAOYSA-N 0 0 347.509 3.890 10 0 EHAERN COC[C@@H](NC(=O)N[C@H]1CCOc2c(C)cccc21)c1ccccc1 ZINC000190488433 1036245414 /nfs/dbraw/zinc/24/54/14/1036245414.db2.gz KKBXYYMTLBORRL-ZWKOTPCHSA-N 0 0 340.423 3.506 10 0 EHAERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)NCC1(C2CC2)CCC1 ZINC000332842352 1036279108 /nfs/dbraw/zinc/27/91/08/1036279108.db2.gz OHCSRBLJKDIMNS-LNLFQRSKSA-N 0 0 334.504 3.682 10 0 EHAERN O=C(NCc1cccc(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000190851836 1036283560 /nfs/dbraw/zinc/28/35/60/1036283560.db2.gz LJLJYQKGTFLOBI-UHFFFAOYSA-N 0 0 340.398 3.604 10 0 EHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCCn2ccnc21 ZINC000190785088 1036296491 /nfs/dbraw/zinc/29/64/91/1036296491.db2.gz KUAOPQCMBNDVMY-VIFPVBQESA-N 0 0 340.210 3.715 10 0 EHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191211122 1036351117 /nfs/dbraw/zinc/35/11/17/1036351117.db2.gz XZUCFIHVTLFCBM-RISCZKNCSA-N 0 0 347.409 3.814 10 0 EHAERN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000332875351 1036370807 /nfs/dbraw/zinc/37/08/07/1036370807.db2.gz WOFQXGGGTXYAJR-DJIMGWMZSA-N 0 0 330.476 3.658 10 0 EHAERN O=C(Cc1ccccc1O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191530025 1036408989 /nfs/dbraw/zinc/40/89/89/1036408989.db2.gz PEHCDJBUACZSQS-AWEZNQCLSA-N 0 0 331.362 3.619 10 0 EHAERN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191530661 1036410120 /nfs/dbraw/zinc/41/01/20/1036410120.db2.gz ZMOCQVACIMXDFP-AWEZNQCLSA-N 0 0 347.409 3.644 10 0 EHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC(C)(C)CC(C)=O)C2)cc1 ZINC000191863660 1036450429 /nfs/dbraw/zinc/45/04/29/1036450429.db2.gz CXVQVFHOUPRMPZ-RHSMWYFYSA-N 0 0 331.456 3.795 10 0 EHAERN C[C@@H](CC1CC1)NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192445346 1036510323 /nfs/dbraw/zinc/51/03/23/1036510323.db2.gz HWMUAXRTEUVWOK-ZDUSSCGKSA-N 0 0 336.863 3.522 10 0 EHAERN COCc1ccc(NC(=O)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000192534195 1036525820 /nfs/dbraw/zinc/52/58/20/1036525820.db2.gz KZFXOVWZVLFNPW-UHFFFAOYSA-N 0 0 348.406 3.612 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnc([C@@H]2CCCO2)s1 ZINC000089658313 1036550489 /nfs/dbraw/zinc/55/04/89/1036550489.db2.gz DMAQGVNCGDWMLW-AXFHLTTASA-N 0 0 348.390 3.846 10 0 EHAERN COCc1cccc(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)c1 ZINC000193489661 1036689387 /nfs/dbraw/zinc/68/93/87/1036689387.db2.gz BYAYVUJLCSMZPW-INIZCTEOSA-N 0 0 339.439 3.578 10 0 EHAERN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000102987266 1036818093 /nfs/dbraw/zinc/81/80/93/1036818093.db2.gz HPXBBCCBYNQJBQ-GJZGRUSLSA-N 0 0 339.888 3.775 10 0 EHAERN Cc1csc([C@H](C)NC(=O)NCCc2c[nH]c3cccc(C)c23)n1 ZINC000103182457 1036850815 /nfs/dbraw/zinc/85/08/15/1036850815.db2.gz DOSDRCRABZTFNC-ZDUSSCGKSA-N 0 0 342.468 3.844 10 0 EHAERN CCSc1cc(C(=O)N(C)CCc2ccccc2OC)ccn1 ZINC000104460303 1037043889 /nfs/dbraw/zinc/04/38/89/1037043889.db2.gz DKHQEPXTOPYAII-UHFFFAOYSA-N 0 0 330.453 3.517 10 0 EHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCCCC[C@H]1c1ccco1 ZINC000248915241 1037044392 /nfs/dbraw/zinc/04/43/92/1037044392.db2.gz VZIVDMIFEDIOMX-SOLBZPMBSA-N 0 0 332.444 3.864 10 0 EHAERN Cc1ccsc1C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000103975121 1037143604 /nfs/dbraw/zinc/14/36/04/1037143604.db2.gz MJULZPBGDOCOMK-CQSZACIVSA-N 0 0 332.444 3.715 10 0 EHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000104479797 1037300615 /nfs/dbraw/zinc/30/06/15/1037300615.db2.gz GMWYRQBBABQKMK-SKDRFNHKSA-N 0 0 348.324 3.951 10 0 EHAERN CCC1CCC(CNC(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000126684316 1037477904 /nfs/dbraw/zinc/47/79/04/1037477904.db2.gz WHOKZXBAPDPJBC-UHFFFAOYSA-N 0 0 332.492 3.521 10 0 EHAERN O=C(c1cscn1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217728 1037779942 /nfs/dbraw/zinc/77/99/42/1037779942.db2.gz RRBYRTKBOGBJEA-CQSZACIVSA-N 0 0 338.436 3.553 10 0 EHAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116413589 1037835694 /nfs/dbraw/zinc/83/56/94/1037835694.db2.gz GEMLRVFTODNDEA-XJKSGUPXSA-N 0 0 344.411 3.905 10 0 EHAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116413593 1037839008 /nfs/dbraw/zinc/83/90/08/1037839008.db2.gz GEMLRVFTODNDEA-BBRMVZONSA-N 0 0 344.411 3.905 10 0 EHAERN COc1ccc([C@H](C)NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1F ZINC000117582580 1037854204 /nfs/dbraw/zinc/85/42/04/1037854204.db2.gz ICCXYUUQWGDJTB-SOZUMNATSA-N 0 0 329.371 3.576 10 0 EHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000117591222 1037854428 /nfs/dbraw/zinc/85/44/28/1037854428.db2.gz YUYABNYTHHFFGX-YWZLYKJASA-N 0 0 348.402 3.768 10 0 EHAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117719968 1037860733 /nfs/dbraw/zinc/86/07/33/1037860733.db2.gz HMHZXYRILVCNOJ-MRXNPFEDSA-N 0 0 346.496 3.545 10 0 EHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000117752557 1037861848 /nfs/dbraw/zinc/86/18/48/1037861848.db2.gz WFKORXWPHMTVOS-KUHUBIRLSA-N 0 0 337.375 3.966 10 0 EHAERN CC[C@@H]1CCCCN1C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124217974 1038155483 /nfs/dbraw/zinc/15/54/83/1038155483.db2.gz XNNCNGXZUYJEGW-CZUORRHYSA-N 0 0 346.406 3.581 10 0 EHAERN Cc1ccc(Cl)c(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000408399585 1038866375 /nfs/dbraw/zinc/86/63/75/1038866375.db2.gz IYFOXXXRULCNTQ-CYBMUJFWSA-N 0 0 332.835 3.712 10 0 EHAERN CCn1cnnc1[C@@H]1CCCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000247746515 1039048091 /nfs/dbraw/zinc/04/80/91/1039048091.db2.gz YFEJENWMIVXVOJ-IXDOHACOSA-N 0 0 346.519 3.857 10 0 EHAERN Cc1nc2cc(Cl)c(NC(=O)NC3(C)CCOCC3)cc2s1 ZINC000408402614 1039129792 /nfs/dbraw/zinc/12/97/92/1039129792.db2.gz IWXGQTPUPLLNDM-UHFFFAOYSA-N 0 0 339.848 3.949 10 0 EHAERN CO[C@H]1CCCN(C(=O)Nc2cc3sc(C)nc3cc2Cl)C1 ZINC000408406163 1039315813 /nfs/dbraw/zinc/31/58/13/1039315813.db2.gz TVDSGAQQFCOOBZ-JTQLQIEISA-N 0 0 339.848 3.901 10 0 EHAERN Cc1nnc([C@@H](C)NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000332910470 1040175425 /nfs/dbraw/zinc/17/54/25/1040175425.db2.gz WYXMLXLSZIMIIK-QYFDAXLCSA-N 0 0 348.516 3.812 10 0 EHAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000120020493 1040363049 /nfs/dbraw/zinc/36/30/49/1040363049.db2.gz XMJLMJUBHVNGIP-MAUKXSAKSA-N 0 0 341.455 3.719 10 0 EHAERN Cc1nc(-c2ccccc2NC(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000333003461 1040880852 /nfs/dbraw/zinc/88/08/52/1040880852.db2.gz DGIZWOQPFFDVAL-RYUDHWBXSA-N 0 0 331.441 3.760 10 0 EHAERN Cc1nc([C@@H](C)NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cs1 ZINC000333010353 1040918348 /nfs/dbraw/zinc/91/83/48/1040918348.db2.gz RWJYVUVMFJDEGG-OCCSQVGLSA-N 0 0 337.489 3.694 10 0 EHAERN CC[C@@]1(C)CN([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CCO1 ZINC000253586888 1040948347 /nfs/dbraw/zinc/94/83/47/1040948347.db2.gz BHPFMCJERSDXBQ-DIFFPNOSSA-N 0 0 335.473 3.576 10 0 EHAERN C[C@@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)[C@H]1CO ZINC000408138034 1041776242 /nfs/dbraw/zinc/77/62/42/1041776242.db2.gz LDMAQVLJCUXJRH-RNCFNFMXSA-N 0 0 341.238 3.708 10 0 EHAERN Cc1csc([C@H]2CN(c3ncnc4sc(C)c(C)c43)CCO2)n1 ZINC000408157739 1041899935 /nfs/dbraw/zinc/89/99/35/1041899935.db2.gz KIUAHMFWJQVYHS-GFCCVEGCSA-N 0 0 346.481 3.651 10 0 EHAERN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c2ccccc21 ZINC000153076824 1042262250 /nfs/dbraw/zinc/26/22/50/1042262250.db2.gz YABDXCVDWGOJRA-ZRGWGRIASA-N 0 0 338.455 3.558 10 0 EHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000247292066 1042516017 /nfs/dbraw/zinc/51/60/17/1042516017.db2.gz GMNRWHZATVYOTA-RYQLBKOJSA-N 0 0 342.487 3.535 10 0 EHAERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)nn1-c1cccc(Cl)c1 ZINC000330250621 1042547286 /nfs/dbraw/zinc/54/72/86/1042547286.db2.gz NBCUVYSIPNOCGO-BBRMVZONSA-N 0 0 344.846 3.662 10 0 EHAERN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CC[C@@H]4CCC[C@H]43)ccc12 ZINC000330257262 1042600304 /nfs/dbraw/zinc/60/03/04/1042600304.db2.gz QPDIFWOTTIPIHZ-HNAYVOBHSA-N 0 0 346.434 3.744 10 0 EHAERN COc1cc(F)c(C(=O)N2CCC[C@H]2c2ccccc2)cc1OC ZINC000161708976 1042683181 /nfs/dbraw/zinc/68/31/81/1042683181.db2.gz QUTUJGXOKZAKEV-INIZCTEOSA-N 0 0 329.371 3.820 10 0 EHAERN COc1ccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c(F)c1 ZINC000162481480 1042733111 /nfs/dbraw/zinc/73/31/11/1042733111.db2.gz IUAPVHVRZXGSGX-XIKOKIGWSA-N 0 0 340.402 3.701 10 0 EHAERN CC[C@H](N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(OC)cc1 ZINC000162534362 1042733444 /nfs/dbraw/zinc/73/34/44/1042733444.db2.gz BSHGCAJJRVLDKJ-RBUKOAKNSA-N 0 0 336.439 3.952 10 0 EHAERN CCC[C@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000162544108 1042737565 /nfs/dbraw/zinc/73/75/65/1042737565.db2.gz DIOQOGLDMCMWRT-IBGZPJMESA-N 0 0 339.483 3.785 10 0 EHAERN Cc1ccc(CCCC(=O)N2CCC(Cc3nccn3C)CC2)s1 ZINC000162589245 1042741295 /nfs/dbraw/zinc/74/12/95/1042741295.db2.gz KIFKCEKJFRDIOX-UHFFFAOYSA-N 0 0 345.512 3.594 10 0 EHAERN Cn1ccnc1CC1CCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000162636203 1042743711 /nfs/dbraw/zinc/74/37/11/1042743711.db2.gz IMJCGSFIFSOGFL-UHFFFAOYSA-N 0 0 347.462 3.597 10 0 EHAERN Cc1cc(F)cc(-n2cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)nn2)c1 ZINC000408266141 1042894969 /nfs/dbraw/zinc/89/49/69/1042894969.db2.gz XHUSNEKQBNULOC-KBXCAEBGSA-N 0 0 342.418 3.510 10 0 EHAERN C[C@H](CC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)C(C)(C)C ZINC000408276371 1042931877 /nfs/dbraw/zinc/93/18/77/1042931877.db2.gz HVZFFXHQYNMCRM-CABCVRRESA-N 0 0 332.492 3.740 10 0 EHAERN C[C@@H](CC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)C(C)(C)C ZINC000408276374 1042931995 /nfs/dbraw/zinc/93/19/95/1042931995.db2.gz HVZFFXHQYNMCRM-LSDHHAIUSA-N 0 0 332.492 3.740 10 0 EHAERN Cc1cc2cc(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)oc2cc1C ZINC000408304474 1043001364 /nfs/dbraw/zinc/00/13/64/1043001364.db2.gz BHBFBKWDSAQXMR-MRXNPFEDSA-N 0 0 341.329 3.579 10 0 EHAERN C[C@H]1CCc2nc(NC(=O)c3snnc3C(C)(C)C)sc2C1 ZINC000408356754 1043679984 /nfs/dbraw/zinc/67/99/84/1043679984.db2.gz SASJQQJDQJDHME-QMMMGPOBSA-N 0 0 336.486 3.669 10 0 EHAERN Cc1nnc([C@H]2COCCN2C(=O)CC2CCC(C(C)(C)C)CC2)o1 ZINC000408385567 1044489762 /nfs/dbraw/zinc/48/97/62/1044489762.db2.gz LCOAODZALRSABB-UYSNPLJNSA-N 0 0 349.475 3.521 10 0 EHAERN CC(C)[C@H](NC(=O)N[C@@H](C)C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000112451751 1044608420 /nfs/dbraw/zinc/60/84/20/1044608420.db2.gz UXZFARYMKHIBTH-JSGCOSHPSA-N 0 0 345.447 3.563 10 0 EHAERN O=C(N[C@H]1CCc2c1cccc2O)N1CCCC[C@H]1c1nccs1 ZINC000267091603 1127217345 /nfs/dbraw/zinc/21/73/45/1127217345.db2.gz USQKAMSUKVVCDH-GJZGRUSLSA-N 0 0 343.452 3.773 10 0 EHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c2ccccc21 ZINC000269873700 1128795928 /nfs/dbraw/zinc/79/59/28/1128795928.db2.gz VXBLLZLDICZTBR-VKJFTORMSA-N 0 0 338.455 3.937 10 0 EHAERN Cc1ccc(-c2ncccc2NC(=O)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000189461477 1132445654 /nfs/dbraw/zinc/44/56/54/1132445654.db2.gz KACFVVWGQTXPJD-VXGBXAGGSA-N 0 0 331.441 3.760 10 0 EHAERN O=C(COC(=O)c1ccccc1Cl)N[C@H]1CCCc2ccccc21 ZINC000003507100 1132577602 /nfs/dbraw/zinc/57/76/02/1132577602.db2.gz WNWQBGKCEOBQLT-KRWDZBQOSA-N 0 0 343.810 3.691 10 0 EHAERN CN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000103359463 1132822311 /nfs/dbraw/zinc/82/23/11/1132822311.db2.gz JQQIKVKTZYYXGS-UHFFFAOYSA-N 0 0 331.149 3.939 10 0 EHAERN COc1cccc(-c2nsc(NC(=O)c3cccc(Cl)n3)n2)c1 ZINC000102910986 1135692257 /nfs/dbraw/zinc/69/22/57/1135692257.db2.gz OFBZKTDZDVKONS-UHFFFAOYSA-N 0 0 346.799 3.514 10 0 EHAERN COc1ccccc1CC1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000102378883 1137872864 /nfs/dbraw/zinc/87/28/64/1137872864.db2.gz CEPSBKCWGDJZJR-UHFFFAOYSA-N 0 0 344.480 3.863 10 0 EHAERN O=C(CCc1ccccc1O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000102626341 1137873598 /nfs/dbraw/zinc/87/35/98/1137873598.db2.gz JFXCZASYVQMVGC-UHFFFAOYSA-N 0 0 348.406 3.626 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000105011767 1137879893 /nfs/dbraw/zinc/87/98/93/1137879893.db2.gz HGBVOZLFFIWAKZ-UHFFFAOYSA-N 0 0 349.381 3.855 10 0 EHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000105303847 1137880695 /nfs/dbraw/zinc/88/06/95/1137880695.db2.gz FMACLKKGQHAJHW-MRXNPFEDSA-N 0 0 346.500 3.962 10 0 EHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N[C@@H]1CC12CCOCC2 ZINC000333041825 1137953654 /nfs/dbraw/zinc/95/36/54/1137953654.db2.gz AOORITZXEISENR-IAGOWNOFSA-N 0 0 328.456 3.568 10 0 EHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000333354780 1138280656 /nfs/dbraw/zinc/28/06/56/1138280656.db2.gz SGKKPGMAHGQPSK-SJLPKXTDSA-N 0 0 341.455 3.719 10 0 EHAERN CCOc1ccc(OCC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187059262 1140235891 /nfs/dbraw/zinc/23/58/91/1140235891.db2.gz GDPMHAYZVGRCEA-KRWDZBQOSA-N 0 0 346.452 3.593 10 0 EHAERN COc1ccc(CCC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187128602 1140240933 /nfs/dbraw/zinc/24/09/33/1140240933.db2.gz CSYXNVNWCQENIR-KRWDZBQOSA-N 0 0 330.453 3.756 10 0 EHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(Cl)cn2)cs1 ZINC000187387517 1140253237 /nfs/dbraw/zinc/25/32/37/1140253237.db2.gz XZXKPLUQIPSJNA-AWEZNQCLSA-N 0 0 336.848 3.547 10 0 EHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cs1 ZINC000188008404 1140279669 /nfs/dbraw/zinc/27/96/69/1140279669.db2.gz OARWOXHTMVBDOR-AWEZNQCLSA-N 0 0 342.873 3.631 10 0 EHAERN COc1ccc(F)c(NC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000189108252 1140322134 /nfs/dbraw/zinc/32/21/34/1140322134.db2.gz YZHQEQDYZITBHU-HNNXBMFYSA-N 0 0 335.404 3.968 10 0 EHAERN COc1cc(N)ccc1OCc1cc(F)ccc1Br ZINC000050505276 214057877 /nfs/dbraw/zinc/05/78/77/214057877.db2.gz QXWCLDBHMOTHIP-UHFFFAOYSA-N 0 0 326.165 3.758 10 0 EHAERN CC(=O)c1ccc(OCC(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000097634333 219042923 /nfs/dbraw/zinc/04/29/23/219042923.db2.gz GJPPNGLTQUNDND-UHFFFAOYSA-N 0 0 341.411 3.608 10 0 EHAERN COC(=O)c1ccccc1-c1ccc(CNc2ncccc2N)cc1 ZINC000098178364 219086300 /nfs/dbraw/zinc/08/63/00/219086300.db2.gz DFRJHNQJAYDTHM-UHFFFAOYSA-N 0 0 333.391 3.730 10 0 EHAERN S=C(Nc1ccc(Cl)nc1)Nc1ncccc1Br ZINC000098181308 219086709 /nfs/dbraw/zinc/08/67/09/219086709.db2.gz ZYHQFSLKZLWZIC-UHFFFAOYSA-N 0 0 343.637 3.701 10 0 EHAERN Nc1ccc(Cl)cc1NC(=O)c1ccccc1Br ZINC000022150850 212280412 /nfs/dbraw/zinc/28/04/12/212280412.db2.gz RLQNWTYEKPSOFF-UHFFFAOYSA-N 0 0 325.593 3.937 10 0 EHAERN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(C)(C)C ZINC000003344925 210013765 /nfs/dbraw/zinc/01/37/65/210013765.db2.gz VJUDGLYYKVXZQY-UHFFFAOYSA-N 0 0 330.350 3.539 10 0 EHAERN CCN(C[C@H]1CCCO1)c1ccc([C@H](C)O)cc1Br ZINC000103916300 219329567 /nfs/dbraw/zinc/32/95/67/219329567.db2.gz ABKXQXPGAJSGKW-WCQYABFASA-N 0 0 328.250 3.508 10 0 EHAERN COC(=O)[C@]1(Nc2ccc(Br)cc2)CCC[C@H](C)C1 ZINC000104175676 219355712 /nfs/dbraw/zinc/35/57/12/219355712.db2.gz ZFDCEBHJTTXKLO-NHYWBVRUSA-N 0 0 326.234 3.983 10 0 EHAERN Cc1nnc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)s1 ZINC000040912640 213399412 /nfs/dbraw/zinc/39/94/12/213399412.db2.gz PORSVBUBMOJQSH-UHFFFAOYSA-N 0 0 339.848 3.914 10 0 EHAERN COC(=O)c1ccccc1Nc1ncnc(Nc2ccc(C)cc2)c1N ZINC000040761534 213384188 /nfs/dbraw/zinc/38/41/88/213384188.db2.gz RSKRHISSKREWOA-UHFFFAOYSA-N 0 0 349.394 3.641 10 0 EHAERN CN(c1ccccc1)c1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040757902 213382606 /nfs/dbraw/zinc/38/26/06/213382606.db2.gz MPEJLYWPPUIANM-UHFFFAOYSA-N 0 0 327.338 3.849 10 0 EHAERN COc1ccccc1Nc1ncnc(N(CC(C)C)CC(C)C)c1N ZINC000040735656 213379112 /nfs/dbraw/zinc/37/91/12/213379112.db2.gz VEBSYBJVMUXGEI-UHFFFAOYSA-N 0 0 343.475 3.929 10 0 EHAERN CCCNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N ZINC000040707981 213371969 /nfs/dbraw/zinc/37/19/69/213371969.db2.gz OBCGXFASELOWLE-UHFFFAOYSA-N 0 0 346.744 3.692 10 0 EHAERN COc1ccccc1Nc1ncnc(N2CCc3ccccc32)c1N ZINC000040687366 213369075 /nfs/dbraw/zinc/36/90/75/213369075.db2.gz YQKVJQMGAWAFBG-UHFFFAOYSA-N 0 0 333.395 3.505 10 0 EHAERN Cc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1C ZINC000040684605 213368751 /nfs/dbraw/zinc/36/87/51/213368751.db2.gz XPNRKEHZPLITAK-UHFFFAOYSA-N 0 0 349.394 3.892 10 0 EHAERN CC(C)c1ccc(Nc2ncnc(-n3nnc4ccccc43)c2N)cc1 ZINC000040706377 213371801 /nfs/dbraw/zinc/37/18/01/213371801.db2.gz IJTGZAMHMJOKMY-UHFFFAOYSA-N 0 0 345.410 3.660 10 0 EHAERN Cc1cc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)no1 ZINC000040680855 213368369 /nfs/dbraw/zinc/36/83/69/213368369.db2.gz MSGFCSSJINKUAU-UHFFFAOYSA-N 0 0 333.804 3.903 10 0 EHAERN CCOC(=O)c1sc2nc(-c3ccccc3OCC)cn2c1C ZINC000040437604 213304163 /nfs/dbraw/zinc/30/41/63/213304163.db2.gz CPHYUPHUVLDPPU-UHFFFAOYSA-N 0 0 330.409 3.947 10 0 EHAERN CCn1cc(C(=O)Nc2cccnc2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359670 213293943 /nfs/dbraw/zinc/29/39/43/213293943.db2.gz CMBYYIHNWVBGCL-UHFFFAOYSA-N 0 0 341.798 3.631 10 0 EHAERN Cc1nc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)sc1C ZINC000040311949 213291098 /nfs/dbraw/zinc/29/10/98/213291098.db2.gz ZVZFERXZAJMRRB-UHFFFAOYSA-N 0 0 340.330 3.907 10 0 EHAERN OCCCc1nc2ccccc2n1Cc1cccc(Br)c1 ZINC000040225282 213282157 /nfs/dbraw/zinc/28/21/57/213282157.db2.gz KNGPNHARPFPRMK-UHFFFAOYSA-N 0 0 345.240 3.772 10 0 EHAERN Cn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2cccc(F)c21 ZINC000039963047 213247176 /nfs/dbraw/zinc/24/71/76/213247176.db2.gz JIKUNWJIRZHEHC-UHFFFAOYSA-N 0 0 330.746 3.583 10 0 EHAERN O=C1c2ccccc2C(=O)N1c1nnc(-c2ccccc2Cl)s1 ZINC000039763851 213242913 /nfs/dbraw/zinc/24/29/13/213242913.db2.gz HGDDLYKXYROUQA-UHFFFAOYSA-N 0 0 341.779 3.659 10 0 EHAERN CCOC(=O)c1[nH]c2ccccc2c1[C@H](O)c1cc2ccccc2cn1 ZINC000001436012 209749673 /nfs/dbraw/zinc/74/96/73/209749673.db2.gz KEEUSFFSSIVXSF-HXUWFJFHSA-N 0 0 346.386 3.975 10 0 EHAERN COc1cccc(Cn2ccc3c2ccc(=O)n3-c2ccccc2)c1 ZINC000038883391 213229424 /nfs/dbraw/zinc/22/94/24/213229424.db2.gz OJIPKJPKFGOWBM-UHFFFAOYSA-N 0 0 330.387 3.849 10 0 EHAERN O=C(Nc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 ZINC000038192567 213205405 /nfs/dbraw/zinc/20/54/05/213205405.db2.gz CDUDZZGLFOFINU-UHFFFAOYSA-N 0 0 341.414 3.953 10 0 in-vitro EHAERN Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000038033812 213194007 /nfs/dbraw/zinc/19/40/07/213194007.db2.gz WJOFUEMMVZFNBZ-UHFFFAOYSA-N 0 0 335.187 3.516 10 0 EHAERN CCNC(=O)c1cc(N[C@@H](C)c2cccc(Br)c2)ccn1 ZINC000038012623 213188875 /nfs/dbraw/zinc/18/88/75/213188875.db2.gz XKTWGTXRHYIUIN-NSHDSACASA-N 0 0 348.244 3.767 10 0 EHAERN CCN(Cc1ccco1)C(=O)c1ccc(OC)c(Br)c1 ZINC000037983640 213181725 /nfs/dbraw/zinc/18/17/25/213181725.db2.gz VTXUPNSLLHQCFD-UHFFFAOYSA-N 0 0 338.201 3.713 10 0 EHAERN CCOC(=O)[C@@](C)(NCC1CC1)c1cc(F)c(Cl)cc1Cl ZINC000037968339 213177019 /nfs/dbraw/zinc/17/70/19/213177019.db2.gz OTNYJRZLQWKMJE-HNNXBMFYSA-N 0 0 334.218 3.910 10 0 EHAERN C[C@](Nc1ccccc1Br)(C(N)=O)C1CCCCC1 ZINC000037944157 213175302 /nfs/dbraw/zinc/17/53/02/213175302.db2.gz DXGPYHQPEGBQNQ-OAHLLOKOSA-N 0 0 325.250 3.685 10 0 EHAERN COc1ccc(C(=O)c2cc(F)cc(F)c2)cc1Br ZINC000037362889 213141970 /nfs/dbraw/zinc/14/19/70/213141970.db2.gz GFPNJOFIAIZBHF-UHFFFAOYSA-N 0 0 327.124 3.967 10 0 EHAERN CNC(=O)c1ccc(Cl)c(NCc2ccc(Br)o2)c1 ZINC000037069227 213132468 /nfs/dbraw/zinc/13/24/68/213132468.db2.gz UGZTUUDXKDUPHZ-UHFFFAOYSA-N 0 0 343.608 3.667 10 0 EHAERN Nc1cnc2ccc(Br)cc2c1Sc1ncccn1 ZINC000036813348 213119542 /nfs/dbraw/zinc/11/95/42/213119542.db2.gz AGYWLKXZAIHRQX-UHFFFAOYSA-N 0 0 333.214 3.521 10 0 EHAERN COc1cccc(CO[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000036315158 213083468 /nfs/dbraw/zinc/08/34/68/213083468.db2.gz QGOSGKCVRSZXAZ-LJQANCHMSA-N 0 0 325.408 3.517 10 0 EHAERN c1nc2ncnc(-c3ccccc3)c2n1[C@H]1COc2ccccc2CO1 ZINC000035276963 213016845 /nfs/dbraw/zinc/01/68/45/213016845.db2.gz KUBZTGBNMLGQIB-QGZVFWFLSA-N 0 0 344.374 3.601 10 0 EHAERN O=C(NC1CC1)c1cccc(-c2ccc(Oc3ccccc3)nn2)c1 ZINC000033131091 212901934 /nfs/dbraw/zinc/90/19/34/212901934.db2.gz PJTZLCNVFKXUEA-UHFFFAOYSA-N 0 0 331.375 3.828 10 0 EHAERN Nc1nc2nc(SCc3cccc(F)c3F)nc(Cl)c2s1 ZINC000028568800 212625208 /nfs/dbraw/zinc/62/52/08/212625208.db2.gz QLMDJDUGXICAGY-UHFFFAOYSA-N 0 0 344.799 3.892 10 0 EHAERN COC(=O)CNc1nc(Cl)nc2c(-c3ccccc3)csc21 ZINC000073735827 216418526 /nfs/dbraw/zinc/41/85/26/216418526.db2.gz YINDDAOOWWDGOP-UHFFFAOYSA-N 0 0 333.800 3.597 10 0 EHAERN CCOC(=O)[C@@H](N[C@H](C)CC)c1cc(Br)ccc1F ZINC000038067592 213199060 /nfs/dbraw/zinc/19/90/60/213199060.db2.gz KDLJAZRDHPTYFK-RNCFNFMXSA-N 0 0 332.213 3.581 10 0 EHAERN COc1ccccc1-c1onc(C)c1C(=O)NCCc1cccs1 ZINC000022661954 212315159 /nfs/dbraw/zinc/31/51/59/212315159.db2.gz OPBADKGSXRLJOX-UHFFFAOYSA-N 0 0 342.420 3.693 10 0 EHAERN CCOc1ccc(Br)cc1C(=O)Nc1nc(C)cs1 ZINC000021023260 212200847 /nfs/dbraw/zinc/20/08/47/212200847.db2.gz MCWOEBWMXNCRPS-UHFFFAOYSA-N 0 0 341.230 3.865 10 0 EHAERN Nc1cc(Br)ccc1NC(=O)c1cc(F)cc(F)c1 ZINC000020520862 212142850 /nfs/dbraw/zinc/14/28/50/212142850.db2.gz SUWATORCFUSOQM-UHFFFAOYSA-N 0 0 327.128 3.562 10 0 EHAERN S=C(Nc1cccnc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000020479428 212135349 /nfs/dbraw/zinc/13/53/49/212135349.db2.gz BACVAKGEVTZFTO-AWEZNQCLSA-N 0 0 333.482 3.521 10 0 EHAERN CC(C)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000020398325 212125340 /nfs/dbraw/zinc/12/53/40/212125340.db2.gz DFBXZKIUQFARQL-UHFFFAOYSA-N 0 0 330.815 3.832 10 0 EHAERN Fc1cc(Br)ccc1NC1CCC2(CC1)OCCO2 ZINC000019908044 212081888 /nfs/dbraw/zinc/08/18/88/212081888.db2.gz BZJYRSGVBKXYFW-UHFFFAOYSA-N 0 0 330.197 3.686 10 0 EHAERN NC(=S)Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019442302 212028334 /nfs/dbraw/zinc/02/83/34/212028334.db2.gz IPMKGONMVWIYHC-UHFFFAOYSA-N 0 0 336.254 3.857 10 0 EHAERN COc1ccccc1-c1cc(-c2ccccc2)nc2ncnc(N)c21 ZINC000009694647 211116608 /nfs/dbraw/zinc/11/66/08/211116608.db2.gz VPEDTRHCOXJXEL-UHFFFAOYSA-N 0 0 328.375 3.950 10 0 EHAERN COc1ccc(-c2c3c(N)ncnc3nc(C)c2C(C)C)c(OC)c1 ZINC000009694664 211116620 /nfs/dbraw/zinc/11/66/20/211116620.db2.gz MNSFHPUCAQAZKQ-UHFFFAOYSA-N 0 0 338.411 3.723 10 0 EHAERN C=C1C(N2CCCCC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009286751 211060948 /nfs/dbraw/zinc/06/09/48/211060948.db2.gz VNKGVQANBFWFMU-UHFFFAOYSA-N 0 0 332.469 3.769 10 0 EHAERN CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3ccccc3nc2Cl)C1 ZINC000095083107 218275165 /nfs/dbraw/zinc/27/51/65/218275165.db2.gz CDRZNJYYRMOLPQ-NSHDSACASA-N 0 0 349.818 3.671 10 0 EHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2nc3ccccc3[nH]2)C1 ZINC000095085170 218276362 /nfs/dbraw/zinc/27/63/62/218276362.db2.gz IGDDLGXGZZOUAD-CQSZACIVSA-N 0 0 345.443 3.979 10 0 EHAERN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2[nH]1 ZINC000095075175 218272682 /nfs/dbraw/zinc/27/26/82/218272682.db2.gz PHPCTNZELVIRRG-CQSZACIVSA-N 0 0 344.459 3.646 10 0 EHAERN CC(C)Cc1ccc([C@H](C)NC(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000097394857 219022058 /nfs/dbraw/zinc/02/20/58/219022058.db2.gz ZNNDHONJXHXTIJ-OXJNMPFZSA-N 0 0 340.467 3.979 10 0 EHAERN Cn1c2ccccc2nc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328622665 258034905 /nfs/dbraw/zinc/03/49/05/258034905.db2.gz BLQOPFXGXIEVRG-SFHVURJKSA-N 0 0 335.455 3.512 10 0 EHAERN CCC(CC)NC(=O)c1nc2csc(C)c2c(N2CCCC2)n1 ZINC000065283187 258062830 /nfs/dbraw/zinc/06/28/30/258062830.db2.gz QYDNERWCLSXRJX-UHFFFAOYSA-N 0 0 332.473 3.518 10 0 EHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2)c1 ZINC000125375731 222554963 /nfs/dbraw/zinc/55/49/63/222554963.db2.gz YJQRZNFMDXUJBU-UONOGXRCSA-N 0 0 337.345 3.723 10 0 EHAERN COCc1cc(Cl)nc(NCc2cccc(Br)c2)n1 ZINC000057343539 522926548 /nfs/dbraw/zinc/92/65/48/522926548.db2.gz OGHQPLRLALGMMQ-UHFFFAOYSA-N 0 0 342.624 3.651 10 0 EHAERN C[C@@H](NC(=O)CCCc1ccc(Br)s1)[C@@H]1CCCO1 ZINC000027881566 525085456 /nfs/dbraw/zinc/08/54/56/525085456.db2.gz PYHOLOWEXYYLTK-PWSUYJOCSA-N 0 0 346.290 3.517 10 0 EHAERN CC(C)(C)c1cc(C(=O)C(C#N)=NNc2cccc(Cl)c2)no1 ZINC000254822349 563534629 /nfs/dbraw/zinc/53/46/29/563534629.db2.gz DXEATJQGQHDURZ-UHFFFAOYSA-N 0 0 330.775 3.800 10 0 EHAERN CCCCCCNC(=O)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000005645645 563543696 /nfs/dbraw/zinc/54/36/96/563543696.db2.gz YBQUPAPHIVSQJA-UHFFFAOYSA-N 0 0 345.468 3.835 10 0 EHAERN CN(Cc1ccccc1I)C(=O)OC(C)(C)C ZINC000090624872 563974956 /nfs/dbraw/zinc/97/49/56/563974956.db2.gz FCBKLDJSVKLIHO-UHFFFAOYSA-N 0 0 347.196 3.658 10 0 EHAERN CCOc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000044819522 564027193 /nfs/dbraw/zinc/02/71/93/564027193.db2.gz SWQWEOSFRTWEJQ-UHFFFAOYSA-N 0 0 338.407 3.637 10 0 EHAERN CC(=O)Oc1cc([O-])c2c(c1)occ(Oc1ccc(C)cc1)c2=O ZINC000000044207 564082386 /nfs/dbraw/zinc/08/23/86/564082386.db2.gz VXOQVCGJIURZMY-UHFFFAOYSA-N 0 0 326.304 3.525 10 0 EHAERN CCOc1nc(-c2cccs2)n(-c2cccc(NC(=O)CC)c2)n1 ZINC000006776022 564097582 /nfs/dbraw/zinc/09/75/82/564097582.db2.gz VNGOAZQZULAOPU-UHFFFAOYSA-N 0 0 342.424 3.743 10 0 EHAERN CC(C)N1Cc2cc(C(=O)NCc3cc(F)cc(F)c3)sc2C1 ZINC000065238657 564103288 /nfs/dbraw/zinc/10/32/88/564103288.db2.gz LGJNYGIGPJDBTR-UHFFFAOYSA-N 0 0 336.407 3.680 10 0 EHAERN COC(=O)[C@H](C)c1cc(Cl)nc2ccc(Br)cc21 ZINC000675069014 564112537 /nfs/dbraw/zinc/11/25/37/564112537.db2.gz VEPBTHMLCVCCEX-SSDOTTSWSA-N 0 0 328.593 3.927 10 0 EHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)c21 ZINC000253396232 564130507 /nfs/dbraw/zinc/13/05/07/564130507.db2.gz MIKFGQNPSNGWFX-BHIYHBOVSA-N 0 0 340.467 3.561 10 0 EHAERN CCc1cc(C(=O)Cc2nnc(-c3ccccc3)s2)c(O)cc1O ZINC000003288591 564157001 /nfs/dbraw/zinc/15/70/01/564157001.db2.gz RUCHVSPWQQNYHQ-UHFFFAOYSA-N 0 0 340.404 3.604 10 0 EHAERN CC[C@@H](C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961495 564177205 /nfs/dbraw/zinc/17/72/05/564177205.db2.gz JTLYPBAYTVCZBE-WBVHZDCISA-N 0 0 348.487 3.627 10 0 EHAERN Cc1c(I)c(-c2ccccn2)nn1CC(C)C ZINC000409443442 568415428 /nfs/dbraw/zinc/41/54/28/568415428.db2.gz NCTREAVAZKIHBK-UHFFFAOYSA-N 0 0 341.196 3.514 10 0 EHAERN