smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CCCN1C[C@@H](c1noc(-c3cc(F)cc(Br)c3)n1)OC2 ZINC000329619553 835435926 /nfs/dbraw/zinc/43/59/26/835435926.db2.gz TYLBXVVDGHMBDY-XJKSGUPXSA-N 0 1 382.233 3.564 10 0 GHAEMN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000329620624 835450105 /nfs/dbraw/zinc/45/01/05/835450105.db2.gz FLWONLOSFCWDDE-DOTOQJQBSA-N 0 1 381.524 3.588 10 0 GHAEMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000329632115 835476503 /nfs/dbraw/zinc/47/65/03/835476503.db2.gz IMELSAKZAWJLOH-HOTGVXAUSA-N 0 1 382.508 3.733 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)n[nH]1 ZINC000407980119 838372477 /nfs/dbraw/zinc/37/24/77/838372477.db2.gz INPWSWFEVWKTGM-ZDUSSCGKSA-N 0 1 383.677 3.896 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)n[nH]1 ZINC000407982412 838388520 /nfs/dbraw/zinc/38/85/20/838388520.db2.gz YNBQOIDSUZTTDC-CYBMUJFWSA-N 0 1 383.677 3.896 10 0 GHAEMN Cc1nc([C@@H](C)NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cs1 ZINC000332849305 844592280 /nfs/dbraw/zinc/59/22/80/844592280.db2.gz DJVFVEGCDAVFIW-CJNGLKHVSA-N 0 1 396.520 3.887 10 0 GHAEMN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)o1 ZINC000332853011 844593939 /nfs/dbraw/zinc/59/39/39/844593939.db2.gz GPUVOMJKZBPZDI-ZBFHGGJFSA-N 0 1 386.500 3.799 10 0 GHAEMN Cc1nc([C@@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)n[nH]1 ZINC000162618994 843277460 /nfs/dbraw/zinc/27/74/60/843277460.db2.gz ZFOHCYWBSJCRAK-VFNWGFHPSA-N 0 1 375.476 3.680 10 0 GHAEMN Cc1cccnc1/C=C\C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000588452584 843310580 /nfs/dbraw/zinc/31/05/80/843310580.db2.gz NVRQORJSSODGER-QXMHVHEDSA-N 0 1 392.503 3.856 10 0 GHAEMN C[C@H]1CC[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000179072321 861464978 /nfs/dbraw/zinc/46/49/78/861464978.db2.gz BGVHPVZODSGBEJ-HTAPYJJXSA-N 0 1 378.520 3.984 10 0 GHAEMN CSc1ccc(O[C@H](C)C(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000151571066 845252007 /nfs/dbraw/zinc/25/20/07/845252007.db2.gz RDMRFOPRLVNJIE-FZKQIMNGSA-N 0 1 382.489 3.508 10 0 GHAEMN CCC(=O)c1cccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000152420400 847026351 /nfs/dbraw/zinc/02/63/51/847026351.db2.gz LRBSLESKAAODEQ-JXFKEZNVSA-N 0 1 380.492 3.706 10 0 GHAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000329608115 861758007 /nfs/dbraw/zinc/75/80/07/861758007.db2.gz BNWDVXUHNUNWRY-DYESRHJHSA-N 0 1 377.488 3.638 10 0 GHAEMN Cc1csc2nc(C)nc(N(C)C[C@@H]3CCCN(C)[C@H]3c3ccnn3C)c12 ZINC000328916964 854621246 /nfs/dbraw/zinc/62/12/46/854621246.db2.gz ARWCEWRUGAWLAG-MAUKXSAKSA-N 0 1 384.553 3.561 10 0 GHAEMN CN(c1cccnn1)C1CCN(Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000093272723 882509714 /nfs/dbraw/zinc/50/97/14/882509714.db2.gz NHMXWOAVDLIJIC-UHFFFAOYSA-N 0 1 396.926 3.631 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)[nH]c21 ZINC000175137226 882527563 /nfs/dbraw/zinc/52/75/63/882527563.db2.gz CZCVIAHAGHFMNA-GOSISDBHSA-N 0 1 391.471 3.939 10 0 GHAEMN COC(=O)c1sccc1S(=O)(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000176979604 882755953 /nfs/dbraw/zinc/75/59/53/882755953.db2.gz FCAOITLCLHBOHV-UHFFFAOYSA-N 0 1 392.433 3.537 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000185449611 883458615 /nfs/dbraw/zinc/45/86/15/883458615.db2.gz IGSAVGBHCPRSNV-GCJKJVERSA-N 0 1 390.531 3.549 10 0 GHAEMN O=S1(=O)CC[C@@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000186384537 883651980 /nfs/dbraw/zinc/65/19/80/883651980.db2.gz KDOUJOXSSGGEJA-FZKQIMNGSA-N 0 1 394.899 3.566 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000116568037 886366441 /nfs/dbraw/zinc/36/64/41/886366441.db2.gz CEWZDVSPTCULNF-NZSAHSFTSA-N 0 1 384.549 3.900 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)CCO1 ZINC000124650680 886777733 /nfs/dbraw/zinc/77/77/33/886777733.db2.gz DCZYFRIBCQAOJH-QGZVFWFLSA-N 0 1 387.524 3.725 10 0 GHAEMN C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000245549537 888907630 /nfs/dbraw/zinc/90/76/30/888907630.db2.gz OGIDVFXYSYFPNQ-CBGDNZLLSA-N 0 1 385.939 3.940 10 0 GHAEMN CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245650914 889165595 /nfs/dbraw/zinc/16/55/95/889165595.db2.gz CHLJEBVAQWRZGR-OGWOLHLISA-N 0 1 397.922 3.540 10 0 GHAEMN Cc1noc(C)c1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662355 889185590 /nfs/dbraw/zinc/18/55/90/889185590.db2.gz GISJLWXUJOXJKR-KSSFIOAISA-N 0 1 394.878 3.576 10 0 GHAEMN C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246789853 891307374 /nfs/dbraw/zinc/30/73/74/891307374.db2.gz MGWRGHGMSUWTBK-CCKFTAQKSA-N 0 1 382.439 3.920 10 0 GHAEMN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246789853 891307390 /nfs/dbraw/zinc/30/73/90/891307390.db2.gz MGWRGHGMSUWTBK-CCKFTAQKSA-N 0 1 382.439 3.920 10 0 GHAEMN CCN(Cc1ccccc1C)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246819421 891310841 /nfs/dbraw/zinc/31/08/41/891310841.db2.gz BXFRXTNNFOXAIA-KNQAVFIVSA-N 0 1 380.536 3.832 10 0 GHAEMN C[C@H](N[C@H]1CCCOc2ccccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246897173 891321715 /nfs/dbraw/zinc/32/17/15/891321715.db2.gz FCHPIFVCWMXXIQ-JXFKEZNVSA-N 0 1 386.517 3.791 10 0 GHAEMN COc1c(C)ccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1C ZINC000247014978 891333255 /nfs/dbraw/zinc/33/32/55/891333255.db2.gz MOIRVVBBPQNDAO-VQIMIIECSA-N 0 1 382.508 3.739 10 0 GHAEMN CC(C)COc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000247082669 891343320 /nfs/dbraw/zinc/34/33/20/891343320.db2.gz DCSNIVLWTLQURW-AUSIDOKSSA-N 0 1 395.547 3.686 10 0 GHAEMN Cc1cnccc1CNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249276066 891503474 /nfs/dbraw/zinc/50/34/74/891503474.db2.gz MLRKHLUWAQLWMO-APWZRJJASA-N 0 1 390.890 3.675 10 0 GHAEMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cn(C)c2ccccc12 ZINC000249291352 891511877 /nfs/dbraw/zinc/51/18/77/891511877.db2.gz KWXMLZITHQCSMS-KGVIQGDOSA-N 0 1 390.531 3.704 10 0 GHAEMN Cc1nc2c(Cl)cccc2c(N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1C ZINC000333761349 902315105 /nfs/dbraw/zinc/31/51/05/902315105.db2.gz ZTFRINVKTBUFRB-LJQANCHMSA-N 0 1 378.925 3.910 10 0 GHAEMN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183065690 907320539 /nfs/dbraw/zinc/32/05/39/907320539.db2.gz MCLSWDZQZLIWNV-OAHLLOKOSA-N 0 1 383.452 3.995 10 0 GHAEMN O=C(Nc1c(F)cc(F)cc1Br)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000192289795 908755509 /nfs/dbraw/zinc/75/55/09/908755509.db2.gz QSAFHQJVSSMMLS-LLVKDONJSA-N 0 1 386.200 3.605 10 0 GHAEMN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4CCCCN4C[C@H]3C)c12 ZINC000329642876 835511350 /nfs/dbraw/zinc/51/13/50/835511350.db2.gz IQVKFIURNRVXBE-QAPCUYQASA-N 0 1 390.487 3.897 10 0 GHAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651164 835529497 /nfs/dbraw/zinc/52/94/97/835529497.db2.gz KTNWRPIAIZFZMY-NVXWUHKLSA-N 0 1 394.475 3.501 10 0 GHAEMN C[C@@H]1CCc2[nH]c3ccc(-c4nc([C@@H]5CN6CCC[C@H]6CO5)no4)cc3c2C1 ZINC000329726042 835790908 /nfs/dbraw/zinc/79/09/08/835790908.db2.gz OHZGMZXTPBGOIS-AFBRZQFHSA-N 0 1 378.476 3.878 10 0 GHAEMN Cc1cc([C@H]2CCCN(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)C2)n[nH]1 ZINC000407977263 838363141 /nfs/dbraw/zinc/36/31/41/838363141.db2.gz QJWVBPBVVQQXQW-JTQLQIEISA-N 0 1 392.283 3.732 10 0 GHAEMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000050275688 842594406 /nfs/dbraw/zinc/59/44/06/842594406.db2.gz DIXJINAMIDTDPU-QFIPXVFZSA-N 0 1 399.579 3.711 10 0 GHAEMN COCCN1[C@H](C)CN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)C[C@H]1C ZINC000151363119 845193070 /nfs/dbraw/zinc/19/30/70/845193070.db2.gz WWCBIWPDKPHVAG-IAGOWNOFSA-N 0 1 386.496 3.531 10 0 GHAEMN FC(F)(F)c1cccc(-c2noc(CN3CCCC[C@@H]3c3nnc[nH]3)n2)c1 ZINC000121780404 848829190 /nfs/dbraw/zinc/82/91/90/848829190.db2.gz PRHPHJKCZLOXRU-CYBMUJFWSA-N 0 1 378.358 3.601 10 0 GHAEMN CC(C)[C@H](C)NC(=O)C1CCN([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000101549522 851670908 /nfs/dbraw/zinc/67/09/08/851670908.db2.gz FGDSDTLDNBAYIM-FHWLQOOXSA-N 0 1 399.579 3.616 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n[nH]1 ZINC000328763032 854532464 /nfs/dbraw/zinc/53/24/64/854532464.db2.gz ZELJLTVVQULPGL-KKUMJFAQSA-N 0 1 394.397 3.869 10 0 GHAEMN CCc1nc2sccc2c(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1 ZINC000328944591 854611492 /nfs/dbraw/zinc/61/14/92/854611492.db2.gz LVDOIYWULZBIBY-KBXCAEBGSA-N 0 1 384.553 3.507 10 0 GHAEMN Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H]2C[C@H](C)Sc3sccc32)CC(=O)N1C ZINC000330185782 862645153 /nfs/dbraw/zinc/64/51/53/862645153.db2.gz JHCSERMRRXNKDO-UVLSQEMTSA-N 0 1 390.578 3.585 10 0 GHAEMN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163301794 859874464 /nfs/dbraw/zinc/87/44/64/859874464.db2.gz RLWVUVCHRVUREY-MAUKXSAKSA-N 0 1 383.471 3.788 10 0 GHAEMN COc1cccc(-c2nsc(NC(=O)c3cc(-c4ccncc4)on3)n2)c1 ZINC000102910853 860899333 /nfs/dbraw/zinc/89/93/33/860899333.db2.gz FELIMUQNYORRNI-UHFFFAOYSA-N 0 1 379.401 3.516 10 0 GHAEMN CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1ncnc2c3ccccc3oc21 ZINC000329032765 860962842 /nfs/dbraw/zinc/96/28/42/860962842.db2.gz QEXMXHVPUDGNIR-MGPUTAFESA-N 0 1 390.491 3.629 10 0 GHAEMN COc1ccccc1NC(=O)C1CCN(Cc2c(C)nc3sc(C)cn23)CC1 ZINC000091918892 882214780 /nfs/dbraw/zinc/21/47/80/882214780.db2.gz OQNMWTOTNGKIRD-UHFFFAOYSA-N 0 1 398.532 3.872 10 0 GHAEMN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000173284058 882346513 /nfs/dbraw/zinc/34/65/13/882346513.db2.gz NMTMRDWKSKTZPL-KRWDZBQOSA-N 0 1 389.927 3.637 10 0 GHAEMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Nc1ccc2c(c1)CN(C)C2 ZINC000173989761 882400587 /nfs/dbraw/zinc/40/05/87/882400587.db2.gz GQHJUNCYMOVNOA-INIZCTEOSA-N 0 1 389.503 3.874 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000116246811 873368931 /nfs/dbraw/zinc/36/89/31/873368931.db2.gz RNTPCIOMZCOPHG-UTKZUKDTSA-N 0 1 376.504 3.522 10 0 GHAEMN COc1cc(OC)cc([C@H]2CCN([C@@H](C)c3nc(-c4cccnc4)no3)C2)c1 ZINC000177410895 882794088 /nfs/dbraw/zinc/79/40/88/882794088.db2.gz RPBQROLOGFCKTF-HOCLYGCPSA-N 0 1 380.448 3.699 10 0 GHAEMN Cc1c([C@H](C)NCc2cccnc2-n2cncn2)cnn1-c1cccc(Cl)c1 ZINC000178048428 882858559 /nfs/dbraw/zinc/85/85/59/882858559.db2.gz CMLQEQIYDLMFPB-AWEZNQCLSA-N 0 1 393.882 3.661 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000119424693 875242849 /nfs/dbraw/zinc/24/28/49/875242849.db2.gz ADVUZFGGEUIWBC-KXBFYZLASA-N 0 1 394.450 3.516 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1cc2ccccc2o1 ZINC000120576207 876111331 /nfs/dbraw/zinc/11/13/31/876111331.db2.gz IYDCJIOMOZMAHF-UTKZUKDTSA-N 0 1 392.503 3.580 10 0 GHAEMN O=C(NC1CCN(Cc2cccn2Cc2cccs2)CC1)c1ccccc1 ZINC000123040834 879897291 /nfs/dbraw/zinc/89/72/91/879897291.db2.gz REVMYBSTPMXPQL-UHFFFAOYSA-N 0 1 379.529 3.992 10 0 GHAEMN O=C(COc1ccccc1OCc1ccccc1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181185896 883152536 /nfs/dbraw/zinc/15/25/36/883152536.db2.gz HMIATNHXKXTYFI-SFHVURJKSA-N 0 1 392.459 3.516 10 0 GHAEMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000185634133 883568757 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0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000127936512 887125248 /nfs/dbraw/zinc/12/52/48/887125248.db2.gz YSGWJZFLIVHREZ-JTSKRJEESA-N 0 1 375.472 3.982 10 0 GHAEMN COc1ccnc(N2CCN(C(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC000105036138 887307895 /nfs/dbraw/zinc/30/78/95/887307895.db2.gz COLJRGIWYUAFOF-UHFFFAOYSA-N 0 1 398.360 3.602 10 0 GHAEMN CC(C)Sc1ccccc1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000135352437 888231437 /nfs/dbraw/zinc/23/14/37/888231437.db2.gz HNDMJZCTUGZYBN-INIZCTEOSA-N 0 1 377.554 3.904 10 0 GHAEMN CN(C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000245691825 889239634 /nfs/dbraw/zinc/23/96/34/889239634.db2.gz LXRXNVJRZYVYID-CKEIUWERSA-N 0 1 385.936 3.619 10 0 GHAEMN CN1CC[C@@H](CNC(=O)CSc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735887 889566216 /nfs/dbraw/zinc/56/62/16/889566216.db2.gz USHSVEIKRNEIOK-IFXJQAMLSA-N 0 1 393.915 3.775 10 0 GHAEMN CN(Cc1ccncc1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245739917 889596197 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ZINC000176128663 882669541 /nfs/dbraw/zinc/66/95/41/882669541.db2.gz GQYPHYMWZWXZNV-SFHVURJKSA-N 0 1 385.414 3.682 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000176289373 882674667 /nfs/dbraw/zinc/67/46/67/882674667.db2.gz RCJTYNFJMGHWBK-OAHLLOKOSA-N 0 1 399.457 3.899 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000116249932 873370781 /nfs/dbraw/zinc/37/07/81/873370781.db2.gz BOYLCARURLZAIA-KSSFIOAISA-N 0 1 377.410 3.741 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000116475315 873513677 /nfs/dbraw/zinc/51/36/77/873513677.db2.gz DEVNBYFIBNQMOC-DOMZBBRYSA-N 0 1 378.398 3.531 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N[C@H](C)c3nc(-c4cccc(F)c4)no3)[nH]c21 ZINC000177654668 882838914 /nfs/dbraw/zinc/83/89/14/882838914.db2.gz ZHRWFIDMGZMKCR-CYBMUJFWSA-N 0 1 393.422 3.870 10 0 GHAEMN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000179427854 882998799 /nfs/dbraw/zinc/99/87/99/882998799.db2.gz HKJHWVMBTWFOPQ-SJLPKXTDSA-N 0 1 376.451 3.652 10 0 GHAEMN Cc1nc([C@@H](NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c2ccccc2)n[nH]1 ZINC000183520343 883268989 /nfs/dbraw/zinc/26/89/89/883268989.db2.gz MFTMKFHJLKCPPR-DJJJIMSYSA-N 0 1 396.878 3.881 10 0 GHAEMN Cc1nc([C@@H](NC(=O)Nc2cn(-c3ccccc3)nc2C)c2ccccc2)n[nH]1 ZINC000183666074 883294372 /nfs/dbraw/zinc/29/43/72/883294372.db2.gz QWLYATBSQBNCRC-IBGZPJMESA-N 0 1 387.447 3.518 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCO1 ZINC000184175741 883327365 /nfs/dbraw/zinc/32/73/65/883327365.db2.gz SVXUZVAEOGAHHS-LBPRGKRZSA-N 0 1 390.833 3.684 10 0 GHAEMN COc1cc(C)c(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1F ZINC000186831876 883709974 /nfs/dbraw/zinc/70/99/74/883709974.db2.gz LZSCWOPXSTWBDY-MAUKXSAKSA-N 0 1 386.471 3.570 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC(O)(c4ccccc4Cl)CC3)[nH]c21 ZINC000192566835 884281750 /nfs/dbraw/zinc/28/17/50/884281750.db2.gz VNUVKUBNBWEIFC-UHFFFAOYSA-N 0 1 397.906 3.968 10 0 GHAEMN Cc1nc([C@@H](NC(=O)C=Cc2nc3ccccc3s2)c2ccccc2)n[nH]1 ZINC000104403701 886002733 /nfs/dbraw/zinc/00/27/33/886002733.db2.gz VCAMPQNSKRYBMP-CVTTXWKISA-N 0 1 375.457 3.642 10 0 GHAEMN Cc1nc([C@H](NC(=O)N[C@H]2CCSc3c(F)cccc32)c2ccccc2)n[nH]1 ZINC000105140746 886011198 /nfs/dbraw/zinc/01/11/98/886011198.db2.gz HAYLHTCYYYWBLH-DLBZAZTESA-N 0 1 397.479 3.878 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000116542273 886365286 /nfs/dbraw/zinc/36/52/86/886365286.db2.gz UGBVZFXQGPRHSP-LIRRHRJNSA-N 0 1 390.890 3.584 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)Nc3ccccc3SC(F)F)CC2)CCO1 ZINC000124421094 886746515 /nfs/dbraw/zinc/74/65/15/886746515.db2.gz GNNHREPLAAACFR-ZDUSSCGKSA-N 0 1 385.480 3.718 10 0 GHAEMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000132875149 887708427 /nfs/dbraw/zinc/70/84/27/887708427.db2.gz MJUPRLNUCSPSPZ-IBGZPJMESA-N 0 1 398.470 3.882 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000245549615 888907504 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3.715 10 0 GHAEMN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247104710 891344438 /nfs/dbraw/zinc/34/44/38/891344438.db2.gz FIVRUBZSCUYAIS-GQIGUUNPSA-N 0 1 387.911 3.529 10 0 GHAEMN CCn1cc(CC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c2ccccc21 ZINC000247187621 891352946 /nfs/dbraw/zinc/35/29/46/891352946.db2.gz KTLXRVYGIZWOGI-GCJKJVERSA-N 0 1 390.531 3.626 10 0 GHAEMN Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)oc2c1C(=O)CCC2 ZINC000247282000 891362123 /nfs/dbraw/zinc/36/21/23/891362123.db2.gz XNODUWDOSCEXSP-YJBOKZPZSA-N 0 1 380.488 3.890 10 0 GHAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000253551713 891878785 /nfs/dbraw/zinc/87/87/85/891878785.db2.gz XOJJXEYWSAGPCM-YJBOKZPZSA-N 0 1 396.535 3.571 10 0 GHAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000253551713 891878800 /nfs/dbraw/zinc/87/88/00/891878800.db2.gz XOJJXEYWSAGPCM-YJBOKZPZSA-N 0 1 396.535 3.571 10 0 GHAEMN COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000011874576 204358487 /nfs/dbraw/zinc/35/84/87/204358487.db2.gz IFYUDVYDAUZTKX-GOSISDBHSA-N 0 1 386.923 3.920 10 0 GHAEMN O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000090485035 205410348 /nfs/dbraw/zinc/41/03/48/205410348.db2.gz ABVHNMFEMUKKFS-UHFFFAOYSA-N 0 1 379.743 3.591 10 0 GHAEMN CCOc1cc(Cn2c(=O)c3cc(Cl)ccc3[nH]c2=S)ccc1OC ZINC000073659624 520741690 /nfs/dbraw/zinc/74/16/90/520741690.db2.gz HBLYOVFATJOXJW-UHFFFAOYSA-N 0 1 376.865 3.794 10 0 GHAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613655 835390828 /nfs/dbraw/zinc/39/08/28/835390828.db2.gz CTVIUHSWDSUGBN-IIBYNOLFSA-N 0 1 395.478 3.777 10 0 GHAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000329632116 835476421 /nfs/dbraw/zinc/47/64/21/835476421.db2.gz IMELSAKZAWJLOH-HZPDHXFCSA-N 0 1 382.508 3.733 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2Br)n[nH]1 ZINC000407979756 838369574 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3.733 10 0 GHAEMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC2(C)C)c1 ZINC000102919951 860902000 /nfs/dbraw/zinc/90/20/00/860902000.db2.gz JZXCNEUMFSJQOH-UHFFFAOYSA-N 0 1 388.489 3.511 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000172492266 882289483 /nfs/dbraw/zinc/28/94/83/882289483.db2.gz MDKCLDUMKGCCJS-XLIONFOSSA-N 0 1 376.504 3.553 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3cccc(Oc4ccccn4)c3)CC2)CCO1 ZINC000174510647 882473992 /nfs/dbraw/zinc/47/39/92/882473992.db2.gz SBJVWGSRMQBQAY-QGZVFWFLSA-N 0 1 396.491 3.591 10 0 GHAEMN CCC(CC)c1cc(CNC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)on1 ZINC000175902149 882613889 /nfs/dbraw/zinc/61/38/89/882613889.db2.gz UQSUWJZOWKETOQ-GOSISDBHSA-N 0 1 382.468 3.594 10 0 GHAEMN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000176368134 882682598 /nfs/dbraw/zinc/68/25/98/882682598.db2.gz MWPGTPJAEFWOJS-PWSUYJOCSA-N 0 1 381.548 3.706 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000116248324 873368244 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891309581 /nfs/dbraw/zinc/30/95/81/891309581.db2.gz BNYFQSFWMSJQNN-CXAGYDPISA-N 0 1 376.863 3.906 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000249089987 891493851 /nfs/dbraw/zinc/49/38/51/891493851.db2.gz GKCHMXHNKMVLJG-DENIHFKCSA-N 0 1 392.547 3.665 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000251644807 891634495 /nfs/dbraw/zinc/63/44/95/891634495.db2.gz IGSAVGBHCPRSNV-XMSQKQJNSA-N 0 1 390.531 3.549 10 0 GHAEMN CCCOc1ccc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c(C)c1 ZINC000079549157 892417807 /nfs/dbraw/zinc/41/78/07/892417807.db2.gz BGROYDLFDCFAPQ-QGZVFWFLSA-N 0 1 375.513 3.501 10 0 GHAEMN C[C@@H]1CCC[C@@H](CCNC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)C1 ZINC000333430459 902084154 /nfs/dbraw/zinc/08/41/54/902084154.db2.gz JYCBOHWXXXLWKC-XODKDNOYSA-N 0 1 389.588 3.661 10 0 GHAEMN O=C(Cc1cc(Cl)ccc1Br)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181390300 906989642 /nfs/dbraw/zinc/98/96/42/906989642.db2.gz OUUORBOYFILDFD-ZDUSSCGKSA-N 0 1 383.677 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398.469 3.596 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000247051814 891338156 /nfs/dbraw/zinc/33/81/56/891338156.db2.gz AZQUJJGWXIDOFI-DNVCBOLYSA-N 0 1 389.952 3.854 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000247057691 891340708 /nfs/dbraw/zinc/34/07/08/891340708.db2.gz OYLHMVAYAPQXNU-ZPMCFJSWSA-N 0 1 378.520 3.743 10 0 GHAEMN Cc1cccc(OCCCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000247329856 891368557 /nfs/dbraw/zinc/36/85/57/891368557.db2.gz YBXZGXJAVXHZIC-KNQAVFIVSA-N 0 1 381.520 3.576 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000247568914 891387652 /nfs/dbraw/zinc/38/76/52/891387652.db2.gz WGRJENIQLPGAOO-XJKSGUPXSA-N 0 1 378.929 3.506 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000247744706 891394189 /nfs/dbraw/zinc/39/41/89/891394189.db2.gz XTOXEYJVCOESLI-ZMYBRWDISA-N 0 1 396.453 3.521 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)CCO1 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OLGJLZMRXXMEDG-SFHVURJKSA-N 0 1 389.540 3.829 10 0 GHAEMN CC(C)Oc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116486380 873514963 /nfs/dbraw/zinc/51/49/63/873514963.db2.gz WBSVZMGZXMQEDM-UWJYYQICSA-N 0 1 382.508 3.901 10 0 GHAEMN CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116568278 873567777 /nfs/dbraw/zinc/56/77/77/873567777.db2.gz YASZXYPXXCIGOR-UGKGYDQZSA-N 0 1 380.536 3.912 10 0 GHAEMN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCCN(Cc3ccccc3)CC2)n1 ZINC000119137661 874944772 /nfs/dbraw/zinc/94/47/72/874944772.db2.gz IDESBLFYYXZFHR-UHFFFAOYSA-N 0 1 390.478 3.825 10 0 GHAEMN Cc1nc([C@H](N[C@H](C)c2ncc(Br)s2)c2ccccc2)n[nH]1 ZINC000179223144 882980868 /nfs/dbraw/zinc/98/08/68/882980868.db2.gz BWQQQJXFLVOPEI-NOZJJQNGSA-N 0 1 378.299 3.772 10 0 GHAEMN CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000180010671 883044395 /nfs/dbraw/zinc/04/43/95/883044395.db2.gz XLSGAXQNVOBHNA-AUUYWEPGSA-N 0 1 397.544 3.819 10 0 GHAEMN 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C[C@@H](Sc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000105678347 841755478 /nfs/dbraw/zinc/75/54/78/841755478.db2.gz VEGCBTQWSGRKOV-GDBMZVCRSA-N 0 1 376.472 3.836 10 0 GHAEMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C\c2ncccc2C)CC1 ZINC000588452535 843310062 /nfs/dbraw/zinc/31/00/62/843310062.db2.gz PDVFTSDMTRWVFE-IQBZNYMQSA-N 0 1 396.510 3.562 10 0 GHAEMN Cc1cc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)ccc1Br ZINC000329615604 861778547 /nfs/dbraw/zinc/77/85/47/861778547.db2.gz SFSBPHCLJJLGMY-PBHICJAKSA-N 0 1 378.270 3.733 10 0 GHAEMN Cc1c([C@@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cnn1-c1ccccn1 ZINC000153641171 848826832 /nfs/dbraw/zinc/82/68/32/848826832.db2.gz SYJVDNGJGNCMPQ-OAHLLOKOSA-N 0 1 376.439 3.751 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n[nH]1 ZINC000328760810 854531769 /nfs/dbraw/zinc/53/17/69/854531769.db2.gz XNCMFOCHNCNYNP-LZWOXQAQSA-N 0 1 378.398 3.989 10 0 GHAEMN COCc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)nc(C(C)(C)C)n1 ZINC000301775777 865532362 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/nfs/dbraw/zinc/92/84/89/883928489.db2.gz XFEIIXJPEHLARV-ZDUSSCGKSA-N 0 1 379.361 3.662 10 0 GHAEMN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370113631 884152782 /nfs/dbraw/zinc/15/27/82/884152782.db2.gz RULCMRHPSBGEJK-SMDDNHRTSA-N 0 1 377.901 3.584 10 0 GHAEMN CCOc1c(Cl)cccc1CC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000191138178 884156090 /nfs/dbraw/zinc/15/60/90/884156090.db2.gz SPPZETMWNGJYLS-SFHVURJKSA-N 0 1 384.867 3.614 10 0 GHAEMN Cc1nc([C@@H](NC(=O)N[C@H]2CCSc3c(F)cccc32)c2ccccc2)n[nH]1 ZINC000105140750 886011320 /nfs/dbraw/zinc/01/13/20/886011320.db2.gz HAYLHTCYYYWBLH-IRXDYDNUSA-N 0 1 397.479 3.878 10 0 GHAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000106426119 886032708 /nfs/dbraw/zinc/03/27/08/886032708.db2.gz GAJOJSQEMIXHNV-HXUWFJFHSA-N 0 1 377.488 3.707 10 0 GHAEMN Cc1nc2cc(NC(=O)N[C@H]3CCN(Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116568965 886368473 /nfs/dbraw/zinc/36/84/73/886368473.db2.gz IEYQHIVXCJJEEQ-KSSFIOAISA-N 0 1 379.464 3.563 10 0 GHAEMN CC(C)Oc1ccc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1Cl ZINC000124615834 886774851 /nfs/dbraw/zinc/77/48/51/886774851.db2.gz DQNZGKHDLQYJJR-OAHLLOKOSA-N 0 1 395.931 3.844 10 0 GHAEMN CCCOc1ccc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1Cl ZINC000124866908 886805231 /nfs/dbraw/zinc/80/52/31/886805231.db2.gz KTRCYHMVMNNTCY-OAHLLOKOSA-N 0 1 395.931 3.846 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000126335384 886958682 /nfs/dbraw/zinc/95/86/82/886958682.db2.gz UNLCLHDIFWIHGP-ACJLOTCBSA-N 0 1 395.400 3.880 10 0 GHAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134350565 887862458 /nfs/dbraw/zinc/86/24/58/887862458.db2.gz DQMIQFQDLWPVHC-DLBZAZTESA-N 0 1 375.476 3.626 10 0 GHAEMN COc1cc(OC)cc(N2CC[C@@H](CN[C@@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000195059756 888640856 /nfs/dbraw/zinc/64/08/56/888640856.db2.gz FYQWBWHOTYNISD-YWZLYKJASA-N 0 1 398.532 3.694 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000245863926 889881332 /nfs/dbraw/zinc/88/13/32/889881332.db2.gz POTARNOWOGQTEW-LAUBAEHRSA-N 0 1 376.504 3.522 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000072013589 891237309 /nfs/dbraw/zinc/23/73/09/891237309.db2.gz HQHDYUSQNDRLFJ-IBGZPJMESA-N 0 1 378.516 3.530 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000246993450 891331096 /nfs/dbraw/zinc/33/10/96/891331096.db2.gz LMLRFHJXYQOZLF-ZPMCFJSWSA-N 0 1 378.520 3.621 10 0 GHAEMN COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247184359 891353204 /nfs/dbraw/zinc/35/32/04/891353204.db2.gz KPOOWBXMNBOEIG-LVCYWYKZSA-N 0 1 381.520 3.611 10 0 GHAEMN C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000247281884 891362378 /nfs/dbraw/zinc/36/23/78/891362378.db2.gz SIJUFZLWYIXZBA-QMHWCDLVSA-N 0 1 377.532 3.918 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000247281884 891362391 /nfs/dbraw/zinc/36/23/91/891362391.db2.gz SIJUFZLWYIXZBA-QMHWCDLVSA-N 0 1 377.532 3.918 10 0 GHAEMN C[C@@H](CC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000247117445 891371500 /nfs/dbraw/zinc/37/15/00/891371500.db2.gz PMFRHLYPBLVJPJ-HOTGVXAUSA-N 0 1 398.469 3.911 10 0 GHAEMN Cc1cc(C)cc(-c2nnc(NC(=O)N3CCCC[C@H]3c3nnc[nH]3)s2)c1 ZINC000131424370 903095153 /nfs/dbraw/zinc/09/51/53/903095153.db2.gz BQPXILXUJZYSPV-AWEZNQCLSA-N 0 1 383.481 3.699 10 0 GHAEMN O=C(CCc1cc(Cl)ccc1Br)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181396431 906991585 /nfs/dbraw/zinc/99/15/85/906991585.db2.gz PERDGKXIIXRVJX-CQSZACIVSA-N 0 1 397.704 3.907 10 0 GHAEMN COc1cc(C)c(Br)cc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184596893 907617138 /nfs/dbraw/zinc/61/71/38/907617138.db2.gz KYISPPOUTJERQL-ZDUSSCGKSA-N 0 1 394.273 3.643 10 0 GHAEMN CCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340292 205010838 /nfs/dbraw/zinc/01/08/38/205010838.db2.gz PVSKTGDMLZMGSC-QFIPXVFZSA-N 0 1 396.579 3.584 10 0 GHAEMN CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000034683457 570300913 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CCCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000036340517 205011724 /nfs/dbraw/zinc/01/17/24/205011724.db2.gz IZKIRTPJWBCUQO-JOCHJYFZSA-N 0 1 396.579 3.666 10 0 GHAEMN FC(F)(F)c1cc2n[nH]c(I)c2c(Br)c1 ZINC000014986014 205180498 /nfs/dbraw/zinc/18/04/98/205180498.db2.gz IGOIJJKIDMAMMX-UHFFFAOYSA-N 0 1 390.928 3.949 10 0 GHAEMN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000246927024 835135600 /nfs/dbraw/zinc/13/56/00/835135600.db2.gz APZYHZSDMLNNDY-WMLDXEAASA-N 0 1 389.931 3.596 10 0 GHAEMN Cc1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc(Cl)c1Br ZINC000329628457 835457264 /nfs/dbraw/zinc/45/72/64/835457264.db2.gz VVQAZBISWKWBOW-YPMHNXCESA-N 0 1 398.688 3.997 10 0 GHAEMN Cc1cc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc(Cl)c1Br ZINC000329628457 835457270 /nfs/dbraw/zinc/45/72/70/835457270.db2.gz VVQAZBISWKWBOW-YPMHNXCESA-N 0 1 398.688 3.997 10 0 GHAEMN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000247779499 835809370 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O=C(c1ccc2c(n1)CCCC2)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000329894589 862403670 /nfs/dbraw/zinc/40/36/70/862403670.db2.gz JZXKVEPZTLXHQG-CYBMUJFWSA-N 0 1 378.398 3.722 10 0 GHAEMN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163301663 859874350 /nfs/dbraw/zinc/87/43/50/859874350.db2.gz RLWVUVCHRVUREY-YJBOKZPZSA-N 0 1 383.471 3.788 10 0 GHAEMN Cc1nc2scc(CC(C)C)c2c(N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000112556885 866733543 /nfs/dbraw/zinc/73/35/43/866733543.db2.gz NDOFQEIQDMLYPI-UHFFFAOYSA-N 0 1 398.580 3.644 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000172194809 882176550 /nfs/dbraw/zinc/17/65/50/882176550.db2.gz LMLRFHJXYQOZLF-VOQZNFBZSA-N 0 1 378.520 3.621 10 0 GHAEMN Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000102320190 872932818 /nfs/dbraw/zinc/93/28/18/872932818.db2.gz KGOOAVTXYDLAGU-UHFFFAOYSA-N 0 1 395.484 3.580 10 0 GHAEMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1 ZINC000102320066 872933177 /nfs/dbraw/zinc/93/31/77/872933177.db2.gz HEQRVSAHSOPVEF-AWEZNQCLSA-N 0 1 383.473 3.564 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000116252290 873371683 /nfs/dbraw/zinc/37/16/83/873371683.db2.gz FCHZHQMUBJKETQ-UZLBHIALSA-N 0 1 387.911 3.531 10 0 GHAEMN Cc1nc([C@@H](NC(=O)Nc2ccccc2OCC(F)F)c2ccccc2)n[nH]1 ZINC000120087817 875446110 /nfs/dbraw/zinc/44/61/10/875446110.db2.gz JZXOBGRFZQHZSM-KRWDZBQOSA-N 0 1 387.390 3.668 10 0 GHAEMN CCc1ccc(C2=CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000180272680 883071328 /nfs/dbraw/zinc/07/13/28/883071328.db2.gz FEDUVFJAQHZRHB-UHFFFAOYSA-N 0 1 377.560 3.797 10 0 GHAEMN COc1ccc(-c2nc(CN3CCCC[C@H]3c3nnc[nH]3)cs2)cc1OC ZINC000182718202 883231557 /nfs/dbraw/zinc/23/15/57/883231557.db2.gz AKUOVTSTPAQYMY-HNNXBMFYSA-N 0 1 385.493 3.673 10 0 GHAEMN CCOCCOc1c(Cl)cccc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183077210 883259421 /nfs/dbraw/zinc/25/94/21/883259421.db2.gz YYAAHDCEJGVQPX-HNNXBMFYSA-N 0 1 393.875 3.633 10 0 GHAEMN Cc1nc([C@@H](N[C@@H](C)c2ncc(Br)cc2F)c2ccccc2)n[nH]1 ZINC000187149690 883752788 /nfs/dbraw/zinc/75/27/88/883752788.db2.gz UMHJDOUFYZUTEF-QFYYESIMSA-N 0 1 390.260 3.850 10 0 GHAEMN Fc1ccc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000189288683 883928583 /nfs/dbraw/zinc/92/85/83/883928583.db2.gz XFEIIXJPEHLARV-CYBMUJFWSA-N 0 1 379.361 3.662 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000116249688 886357533 /nfs/dbraw/zinc/35/75/33/886357533.db2.gz BOXDJSGRSAESHK-LPHOPBHVSA-N 0 1 392.528 3.846 10 0 GHAEMN CCc1nc2cc(NC(=O)N[C@@H](c3n[nH]c(C)n3)c3ccccc3)ccc2o1 ZINC000118046371 886400230 /nfs/dbraw/zinc/40/02/30/886400230.db2.gz BOPJRTRSTZZWPX-GOSISDBHSA-N 0 1 376.420 3.728 10 0 GHAEMN CCCCOc1ccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(C)c1 ZINC000128605058 887207368 /nfs/dbraw/zinc/20/73/68/887207368.db2.gz CXVIHELEMCMLHB-SFHVURJKSA-N 0 1 389.540 3.891 10 0 GHAEMN O=C(COc1ccc(C2SCCCS2)cc1)N1CCCN(C2CC2)CC1 ZINC000061605327 888491899 /nfs/dbraw/zinc/49/18/99/888491899.db2.gz RYDYIPFKQPQJDE-UHFFFAOYSA-N 0 1 392.590 3.631 10 0 GHAEMN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000245667667 889193741 /nfs/dbraw/zinc/19/37/41/889193741.db2.gz HKJHWVMBTWFOPQ-WMZOPIPTSA-N 0 1 376.451 3.652 10 0 GHAEMN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246574651 891286875 /nfs/dbraw/zinc/28/68/75/891286875.db2.gz OGOWVDCBSDZLGS-FFGOWVMKSA-N 0 1 390.597 3.608 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000246858398 891317618 /nfs/dbraw/zinc/31/76/18/891317618.db2.gz DUQOHMHMQFINIS-OXJNMPFZSA-N 0 1 386.927 3.787 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000247231653 891358039 /nfs/dbraw/zinc/35/80/39/891358039.db2.gz NXOJTDPWPDRQHE-VQIMIIECSA-N 0 1 395.551 3.551 10 0 GHAEMN Cc1ccc2oc(C(=O)N(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)cc2c1 ZINC000333408667 902070282 /nfs/dbraw/zinc/07/02/82/902070282.db2.gz GORVVDLMXMJMNE-HRAATJIYSA-N 0 1 380.492 3.630 10 0 GHAEMN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179351735 906480554 /nfs/dbraw/zinc/48/05/54/906480554.db2.gz BCLXVOYEJGTGDT-HNNXBMFYSA-N 0 1 387.896 3.878 10 0 GHAEMN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000180176421 906707717 /nfs/dbraw/zinc/70/77/17/906707717.db2.gz RKSLAECKUYPMBY-AWEZNQCLSA-N 0 1 375.404 3.574 10 0 GHAEMN O=C(Nc1ccc(Br)cc1Cl)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181271125 906959626 /nfs/dbraw/zinc/95/96/26/906959626.db2.gz KIQLKJUNKHMCTG-LBPRGKRZSA-N 0 1 384.665 3.980 10 0 GHAEMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000701337720 977007773 /nfs/dbraw/zinc/00/77/73/977007773.db2.gz XCNAXJHGAPTQJG-UHFFFAOYSA-N 0 1 375.852 3.978 10 0 GHAEMN CC(C)Sc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000029554931 206303083 /nfs/dbraw/zinc/30/30/83/206303083.db2.gz NLRDBSFWXSZYJL-UHFFFAOYSA-N 0 1 384.549 3.733 10 0 GHAEMN COc1cccc(CN2CCC(N(C(C)=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000037559614 571031412 /nfs/dbraw/zinc/03/14/12/571031412.db2.gz ZSQSARFPYKCMMQ-UHFFFAOYSA-N 0 1 398.503 3.730 10 0 GHAEMN c1c2c(sc1-c1nc([C@H]3CN4CCC[C@H]4CO3)no1)-c1ccccc1OC2 ZINC000329547670 835212331 /nfs/dbraw/zinc/21/23/31/835212331.db2.gz BACPDTUCRUZJCH-XJKSGUPXSA-N 0 1 381.457 3.893 10 0 GHAEMN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000329620630 835450052 /nfs/dbraw/zinc/45/00/52/835450052.db2.gz FLWONLOSFCWDDE-WBVHZDCISA-N 0 1 381.524 3.588 10 0 GHAEMN CC(C)CCOc1cccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000068312524 839203908 /nfs/dbraw/zinc/20/39/08/839203908.db2.gz NLRQXEVMJCIJKT-SFHVURJKSA-N 0 1 389.540 3.829 10 0 GHAEMN CC(C)CCOc1cccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1 ZINC000068312524 839203918 /nfs/dbraw/zinc/20/39/18/839203918.db2.gz NLRQXEVMJCIJKT-SFHVURJKSA-N 0 1 389.540 3.829 10 0 GHAEMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000328756511 840408911 /nfs/dbraw/zinc/40/89/11/840408911.db2.gz UGDLVQMTQNLMFW-XBVQOTNRSA-N 0 1 381.476 3.843 10 0 GHAEMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000328756511 840408916 /nfs/dbraw/zinc/40/89/16/840408916.db2.gz UGDLVQMTQNLMFW-XBVQOTNRSA-N 0 1 381.476 3.843 10 0 GHAEMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756511 840408929 /nfs/dbraw/zinc/40/89/29/840408929.db2.gz UGDLVQMTQNLMFW-XBVQOTNRSA-N 0 1 381.476 3.843 10 0 GHAEMN O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408352391 842750508 /nfs/dbraw/zinc/75/05/08/842750508.db2.gz PWSHQAYUSIBUPX-HZMBPMFUSA-N 0 1 380.279 3.688 10 0 GHAEMN Cc1nc([C@H](N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)n[nH]1 ZINC000162618607 843277555 /nfs/dbraw/zinc/27/75/55/843277555.db2.gz ZFOHCYWBSJCRAK-YCRPNKLZSA-N 0 1 375.476 3.680 10 0 GHAEMN COc1ccc([C@@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1NC(C)=O ZINC000162594857 843281782 /nfs/dbraw/zinc/28/17/82/843281782.db2.gz NLVBUTSOAWZYCZ-XCLFUZPHSA-N 0 1 379.464 3.520 10 0 GHAEMN C[C@H]1CCCN(c2cc(N3CCC[C@H](c4ncc(C(F)(F)F)[nH]4)C3)ncn2)C1 ZINC000333368269 845074662 /nfs/dbraw/zinc/07/46/62/845074662.db2.gz VSHREQUTTXYCOY-KBPBESRZSA-N 0 1 394.445 3.839 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000155102247 849448271 /nfs/dbraw/zinc/44/82/71/849448271.db2.gz OHPVEVCRMFELDM-BVYCBKJFSA-N 0 1 395.547 3.965 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000155226844 849483165 /nfs/dbraw/zinc/48/31/65/849483165.db2.gz WTWBBQJVPCUNNT-KKSFZXQISA-N 0 1 387.474 3.709 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000328663828 854495088 /nfs/dbraw/zinc/49/50/88/854495088.db2.gz BFWKOXPRCKIZSM-JYJNAYRXSA-N 0 1 378.398 3.989 10 0 GHAEMN CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccs1 ZINC000041022980 856302169 /nfs/dbraw/zinc/30/21/69/856302169.db2.gz JETSNQFQRQPITD-MRXNPFEDSA-N 0 1 387.480 3.894 10 0 GHAEMN Cc1[nH]c2ccc(C(=O)N(C)C[C@@H]3CCCN(C)[C@H]3c3ccnn3C)cc2c1C ZINC000329048677 860976346 /nfs/dbraw/zinc/97/63/46/860976346.db2.gz VUQGXZWYEBSLKG-PGRDOPGGSA-N 0 1 393.535 3.673 10 0 GHAEMN Cc1sc2nc(C)nc(NC[C@@H]3CCCN(C)[C@H]3c3ccnn3C)c2c1C ZINC000329214388 861152767 /nfs/dbraw/zinc/15/27/67/861152767.db2.gz LBQRLIXQRMQPBV-MAUKXSAKSA-N 0 1 384.553 3.845 10 0 GHAEMN COc1ccccc1CCN(C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000103866989 864101512 /nfs/dbraw/zinc/10/15/12/864101512.db2.gz CFBDANXOPIEPRP-IBGZPJMESA-N 0 1 385.508 3.618 10 0 GHAEMN CC1(C)C[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2ccccc2O1 ZINC000163267033 882053997 /nfs/dbraw/zinc/05/39/97/882053997.db2.gz ANRKCERRSBDSKX-WBVHZDCISA-N 0 1 395.507 3.874 10 0 GHAEMN O=C(NC[C@@H]1CCCCN1Cc1c[nH]nc1-c1cccnc1)Nc1ccccc1 ZINC000091684088 882133794 /nfs/dbraw/zinc/13/37/94/882133794.db2.gz DKHXOHAPUXAMPB-FQEVSTJZSA-N 0 1 390.491 3.648 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(C)CCCc1ccccc1 ZINC000172194067 882176297 /nfs/dbraw/zinc/17/62/97/882176297.db2.gz FCXOBVFUJCTCFR-KNQAVFIVSA-N 0 1 380.536 3.566 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(Cl)s1 ZINC000172175960 882176564 /nfs/dbraw/zinc/17/65/64/882176564.db2.gz WGRJENIQLPGAOO-BBRMVZONSA-N 0 1 378.929 3.506 10 0 GHAEMN CCCOc1ccc(CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000173516905 882374933 /nfs/dbraw/zinc/37/49/33/882374933.db2.gz HQXWIPGXBQQRJD-WMZHIEFXSA-N 0 1 395.547 3.830 10 0 GHAEMN C[C@@H](C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000175551047 882595675 /nfs/dbraw/zinc/59/56/75/882595675.db2.gz INTCBQWUMMZVTI-AUSIDOKSSA-N 0 1 379.548 3.572 10 0 GHAEMN CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1nc(C)cs1 ZINC000116547015 873566298 /nfs/dbraw/zinc/56/62/98/873566298.db2.gz OGWXVSBILRDWPC-JCGIZDLHSA-N 0 1 387.553 3.507 10 0 GHAEMN CC(C)N(C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102763326 873569352 /nfs/dbraw/zinc/56/93/52/873569352.db2.gz YZHZJWCLKIUXAG-KBPBESRZSA-N 0 1 387.446 3.598 10 0 GHAEMN CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC000180094328 883049307 /nfs/dbraw/zinc/04/93/07/883049307.db2.gz ARLCKBXAVBYJIT-UHFFFAOYSA-N 0 1 388.533 3.979 10 0 GHAEMN Cc1nnc([C@@H](NC2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2)[nH]1 ZINC000180414542 883056380 /nfs/dbraw/zinc/05/63/80/883056380.db2.gz ZBAISZNNTBXTKG-ABHNRTSZSA-N 0 1 385.512 3.628 10 0 GHAEMN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184534455 883354880 /nfs/dbraw/zinc/35/48/80/883354880.db2.gz AMPYXQSGJGUVEH-JLCFBVMHSA-N 0 1 383.467 3.928 10 0 GHAEMN Cc1ccnn1-c1ccccc1NC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000184560550 883356751 /nfs/dbraw/zinc/35/67/51/883356751.db2.gz MEJDABVKISYKJO-IBGZPJMESA-N 0 1 387.447 3.518 10 0 GHAEMN Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000184560574 883357566 /nfs/dbraw/zinc/35/75/66/883357566.db2.gz MEJDABVKISYKJO-LJQANCHMSA-N 0 1 387.447 3.518 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC(O)(c4c(F)cccc4F)CC3)[nH]c21 ZINC000186431693 883644858 /nfs/dbraw/zinc/64/48/58/883644858.db2.gz KPYJGVUVHVHUKI-UHFFFAOYSA-N 0 1 399.441 3.592 10 0 GHAEMN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370113628 884152724 /nfs/dbraw/zinc/15/27/24/884152724.db2.gz RULCMRHPSBGEJK-BXUZGUMPSA-N 0 1 377.901 3.584 10 0 GHAEMN Cc1nc([C@@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2ccccc2)n[nH]1 ZINC000192313182 884251077 /nfs/dbraw/zinc/25/10/77/884251077.db2.gz BKKBTVCHEDYBPD-HNNXBMFYSA-N 0 1 391.262 3.913 10 0 GHAEMN O[C@@H](CN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1Cl ZINC000102520629 885971382 /nfs/dbraw/zinc/97/13/82/885971382.db2.gz VWDVDPCTICAXKK-SFHVURJKSA-N 0 1 384.867 3.698 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)CCO1 ZINC000102798047 885976783 /nfs/dbraw/zinc/97/67/83/885976783.db2.gz KRIDEOREURITEM-GFCCVEGCSA-N 0 1 389.393 3.562 10 0 GHAEMN Cc1nc([C@H](NC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2)n[nH]1 ZINC000105076307 886009433 /nfs/dbraw/zinc/00/94/33/886009433.db2.gz LNGDWLUXRGMWSC-MRXNPFEDSA-N 0 1 389.381 3.721 10 0 GHAEMN CCOc1cccc([C@H](C)NC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)c1 ZINC000105203242 886012864 /nfs/dbraw/zinc/01/28/64/886012864.db2.gz NDNBXXZJAHRSDB-LIRRHRJNSA-N 0 1 379.464 3.662 10 0 GHAEMN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H]1c1nc3ccc(C)cc3[nH]1)CCC2 ZINC000332674252 886537970 /nfs/dbraw/zinc/53/79/70/886537970.db2.gz AFAWKCOLUOHCJG-VQIMIIECSA-N 0 1 392.507 3.800 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)CCO1 ZINC000124325350 886731742 /nfs/dbraw/zinc/73/17/42/886731742.db2.gz PRDFUYRYOUOCAT-LJQANCHMSA-N 0 1 393.531 3.994 10 0 GHAEMN CCCN(CCc1ccccn1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000105077407 887453282 /nfs/dbraw/zinc/45/32/82/887453282.db2.gz SNMYHYOUGLCQKJ-FQEVSTJZSA-N 0 1 384.524 3.866 10 0 GHAEMN COC[C@H](NC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(Cl)cc1 ZINC000194648429 888601785 /nfs/dbraw/zinc/60/17/85/888601785.db2.gz FFOBUKHIYBZJEQ-ROUUACIJSA-N 0 1 399.882 3.543 10 0 GHAEMN CSCc1cc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1F ZINC000245409919 888747156 /nfs/dbraw/zinc/74/71/56/888747156.db2.gz OOTPFCFHOAUKRL-FOIQADDNSA-N 0 1 387.524 3.724 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245472020 888768296 /nfs/dbraw/zinc/76/82/96/888768296.db2.gz OMTTVXBAAWSJES-QRQLOZEOSA-N 0 1 399.564 3.685 10 0 GHAEMN CN1CC[C@@H](CNC(=O)Cc2cccc(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245664326 889187332 /nfs/dbraw/zinc/18/73/32/889187332.db2.gz GPWHVPQJMMPMPO-MGPUTAFESA-N 0 1 376.859 3.536 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)CCO1 ZINC000245943052 890053440 /nfs/dbraw/zinc/05/34/40/890053440.db2.gz VSJNIWDEKZNWCM-MQNAVGNWSA-N 0 1 378.516 3.655 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000246215509 890708905 /nfs/dbraw/zinc/70/89/05/890708905.db2.gz UGLBBBFFDMPCFJ-XMSQKQJNSA-N 0 1 390.531 3.533 10 0 GHAEMN COc1cc(OC)cc([C@@H]2CCN([C@H](C)c3nc(-c4cccnc4)no3)C2)c1 ZINC000246525464 891283617 /nfs/dbraw/zinc/28/36/17/891283617.db2.gz RPBQROLOGFCKTF-GDBMZVCRSA-N 0 1 380.448 3.699 10 0 GHAEMN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246574670 891288606 /nfs/dbraw/zinc/28/86/06/891288606.db2.gz OGOWVDCBSDZLGS-MDNKFWRPSA-N 0 1 390.597 3.608 10 0 GHAEMN CCOc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247040839 891337663 /nfs/dbraw/zinc/33/76/63/891337663.db2.gz NXOCGEPHAPESDW-DYESRHJHSA-N 0 1 382.508 3.821 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000247187481 891353436 /nfs/dbraw/zinc/35/34/36/891353436.db2.gz KSRNHIZORYFQDG-RDTXWAMCSA-N 0 1 377.410 3.741 10 0 GHAEMN Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)oc2c1C(=O)CCC2 ZINC000247281984 891362247 /nfs/dbraw/zinc/36/22/47/891362247.db2.gz XNODUWDOSCEXSP-MAUKXSAKSA-N 0 1 380.488 3.890 10 0 GHAEMN COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247290978 891363406 /nfs/dbraw/zinc/36/34/06/891363406.db2.gz TYWXSBKBOJKFMC-LUJVZZROSA-N 0 1 393.531 3.606 10 0 GHAEMN CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247335477 891368154 /nfs/dbraw/zinc/36/81/54/891368154.db2.gz NDGRKUMHHGXAOE-PIKOESSRSA-N 0 1 390.597 3.656 10 0 GHAEMN C[C@@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000248540741 891425207 /nfs/dbraw/zinc/42/52/07/891425207.db2.gz BMTMDXGQALOLCI-UZLBHIALSA-N 0 1 376.516 3.872 10 0 GHAEMN COc1ccccc1N1CC[C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000249170989 891500190 /nfs/dbraw/zinc/50/01/90/891500190.db2.gz BJYHVOFGCILTSV-IIBYNOLFSA-N 0 1 380.467 3.763 10 0 GHAEMN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cs1 ZINC000251690663 891638263 /nfs/dbraw/zinc/63/82/63/891638263.db2.gz HZBMAPKEKKQJQH-BPAFIMBUSA-N 0 1 399.564 3.604 10 0 GHAEMN COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccccc3)CC2)c1C ZINC000103176290 898069319 /nfs/dbraw/zinc/06/93/19/898069319.db2.gz QKDVTKVIVLNNCJ-UHFFFAOYSA-N 0 1 382.508 3.835 10 0 GHAEMN Cc1cc2cc[nH]c2cc1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000333252741 901943046 /nfs/dbraw/zinc/94/30/46/901943046.db2.gz YRXFBQSQCLFGFR-LAUBAEHRSA-N 0 1 394.523 3.757 10 0 GHAEMN Cc1nc(COc2cccc(C(=O)N3CCCC[C@@H]3c3nnc[nH]3)c2)cs1 ZINC000179356215 906482413 /nfs/dbraw/zinc/48/24/13/906482413.db2.gz GGFKVUWKQNARTC-QGZVFWFLSA-N 0 1 383.477 3.516 10 0 GHAEMN CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(F)c1 ZINC000183421923 907386133 /nfs/dbraw/zinc/38/61/33/907386133.db2.gz DUVNIYKDYAOIGL-OAHLLOKOSA-N 0 1 389.431 3.658 10 0 GHAEMN O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000185420315 907770928 /nfs/dbraw/zinc/77/09/28/907770928.db2.gz ZWGIBDIGBQLEFA-LBPRGKRZSA-N 0 1 387.337 3.644 10 0 GHAEMN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC000189970554 908394780 /nfs/dbraw/zinc/39/47/80/908394780.db2.gz HQGPZOQZWPKJCB-ZWKOTPCHSA-N 0 1 376.501 3.740 10 0 GHAEMN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000191780307 908671591 /nfs/dbraw/zinc/67/15/91/908671591.db2.gz XZDFVJBJLUTLCE-IUODEOHRSA-N 0 1 393.875 3.631 10 0 GHAEMN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000192570634 908800068 /nfs/dbraw/zinc/80/00/68/908800068.db2.gz KEJIUIQSDIUBPP-GOEBONIOSA-N 0 1 391.313 3.890 10 0 GHAEMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCO[C@H]2CCCC[C@H]21 ZINC000068437275 834980741 /nfs/dbraw/zinc/98/07/41/834980741.db2.gz WRHCSMGKDSDVQK-KGLIPLIRSA-N 0 1 390.281 3.623 10 0 GHAEMN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000246926992 835135564 /nfs/dbraw/zinc/13/55/64/835135564.db2.gz APZYHZSDMLNNDY-RHSMWYFYSA-N 0 1 389.931 3.596 10 0 GHAEMN Cc1cc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc(Cl)c1Br ZINC000329628453 835457012 /nfs/dbraw/zinc/45/70/12/835457012.db2.gz VVQAZBISWKWBOW-DGCLKSJQSA-N 0 1 398.688 3.997 10 0 GHAEMN Cc1cc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc(Cl)c1Br ZINC000329628453 835457016 /nfs/dbraw/zinc/45/70/16/835457016.db2.gz VVQAZBISWKWBOW-DGCLKSJQSA-N 0 1 398.688 3.997 10 0 GHAEMN O=C(Nc1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1)C1CCCCC1 ZINC000177328349 837894226 /nfs/dbraw/zinc/89/42/26/837894226.db2.gz PKWZAPOJZMERSK-FQEVSTJZSA-N 0 1 384.524 3.907 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2Br)n[nH]1 ZINC000407980418 838376116 /nfs/dbraw/zinc/37/61/16/838376116.db2.gz LLTPZCCMYIWDKK-CYBMUJFWSA-N 0 1 383.677 3.896 10 0 GHAEMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000332732701 844526399 /nfs/dbraw/zinc/52/63/99/844526399.db2.gz NTMCLJCHNQETBP-GPMSIDNRSA-N 0 1 386.293 3.570 10 0 GHAEMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4noc(C(C)C)n4)C3)n[nH]2)cc1 ZINC000328827701 842333465 /nfs/dbraw/zinc/33/34/65/842333465.db2.gz IOFHCNKVYKBACA-MRXNPFEDSA-N 0 1 379.464 3.911 10 0 GHAEMN COc1cccc(-c2nc(CN3CCCC[C@H]3c3nnc[nH]3)cs2)c1OC ZINC000121666513 848807055 /nfs/dbraw/zinc/80/70/55/848807055.db2.gz TUTBLXJVZOGOSP-HNNXBMFYSA-N 0 1 385.493 3.673 10 0 GHAEMN COC(=O)[C@H](NC1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000154646618 849353238 /nfs/dbraw/zinc/35/32/38/849353238.db2.gz ZINWVYJJOQERAV-HSZRJFAPSA-N 0 1 389.499 3.703 10 0 GHAEMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000101516010 851632514 /nfs/dbraw/zinc/63/25/14/851632514.db2.gz AZQIZCBBENLFAE-INIZCTEOSA-N 0 1 395.425 3.964 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)n[nH]1 ZINC000328744639 854525119 /nfs/dbraw/zinc/52/51/19/854525119.db2.gz OXEHTWUEQJJUNI-PMPSAXMXSA-N 0 1 389.297 3.733 10 0 GHAEMN C[C@@]12CCCN1C[C@H](c1noc(-c3cccc(F)c3Br)n1)OC2 ZINC000328825822 854552925 /nfs/dbraw/zinc/55/29/25/854552925.db2.gz HRWJOULCXRDBMR-WBMJQRKESA-N 0 1 382.233 3.564 10 0 GHAEMN Cc1cn2c(CN3CCC(C(=O)Nc4ccc(C)cn4)CC3)c(C)nc2s1 ZINC000092002871 882250985 /nfs/dbraw/zinc/25/09/85/882250985.db2.gz WZVIIQBLQYPDBM-UHFFFAOYSA-N 0 1 383.521 3.567 10 0 GHAEMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@H](CCO)c3ccccc3)[nH]c2c1 ZINC000172638390 882281487 /nfs/dbraw/zinc/28/14/87/882281487.db2.gz BMRRQDPAKSGOCL-RXVVDRJESA-N 0 1 392.503 3.884 10 0 GHAEMN CCC(CC)c1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000175020200 882515282 /nfs/dbraw/zinc/51/52/82/882515282.db2.gz RPVAKIHJTJMSBD-OXJNMPFZSA-N 0 1 399.539 3.683 10 0 GHAEMN CCC(CC)c1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)on1 ZINC000175020200 882515293 /nfs/dbraw/zinc/51/52/93/882515293.db2.gz RPVAKIHJTJMSBD-OXJNMPFZSA-N 0 1 399.539 3.683 10 0 GHAEMN CC(C)CCO[C@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000176321374 882677870 /nfs/dbraw/zinc/67/78/70/882677870.db2.gz NZSXZCVBXMNFFR-ZDUSSCGKSA-N 0 1 380.286 3.603 10 0 GHAEMN CC[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116242574 873366240 /nfs/dbraw/zinc/36/62/40/873366240.db2.gz BCSYMKWHZJWGSQ-WMQCIHAUSA-N 0 1 383.561 3.979 10 0 GHAEMN COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116250475 873369542 /nfs/dbraw/zinc/36/95/42/873369542.db2.gz KPOOWBXMNBOEIG-LQWHRVPQSA-N 0 1 381.520 3.611 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000116251567 873370267 /nfs/dbraw/zinc/37/02/67/873370267.db2.gz CVGQOALNJROYTD-SGTLLEGYSA-N 0 1 379.838 3.654 10 0 GHAEMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000178022177 882858046 /nfs/dbraw/zinc/85/80/46/882858046.db2.gz JUMMGAUZECNPQI-OAHLLOKOSA-N 0 1 399.545 3.735 10 0 GHAEMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179502490 883004510 /nfs/dbraw/zinc/00/45/10/883004510.db2.gz FZCDUNFBCQQXJF-MRXNPFEDSA-N 0 1 390.491 3.819 10 0 GHAEMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000179832871 883031627 /nfs/dbraw/zinc/03/16/27/883031627.db2.gz YDSQYPMKVGPEPR-MRXNPFEDSA-N 0 1 399.401 3.529 10 0 GHAEMN CN(CC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1)C(=O)OC(C)(C)C ZINC000103494729 881222602 /nfs/dbraw/zinc/22/26/02/881222602.db2.gz CJEPPPTYVWSKCK-GOSISDBHSA-N 0 1 384.467 3.577 10 0 GHAEMN CC(=O)N(c1nc(CN2CCCC[C@H]2c2nnc[nH]2)cs1)c1ccccc1 ZINC000182719750 883233937 /nfs/dbraw/zinc/23/39/37/883233937.db2.gz VZUIENTVTCZLCU-KRWDZBQOSA-N 0 1 382.493 3.673 10 0 GHAEMN Cc1c(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)cccc1OCC(F)(F)F ZINC000184816662 883383857 /nfs/dbraw/zinc/38/38/57/883383857.db2.gz FQHOZOWWPWFFRB-ZDUSSCGKSA-N 0 1 383.374 3.813 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000186428278 883644559 /nfs/dbraw/zinc/64/45/59/883644559.db2.gz ACEPYIJQKZOKKT-AVRDEDQJSA-N 0 1 395.522 3.960 10 0 GHAEMN O=S1(=O)CC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000186384601 883652096 /nfs/dbraw/zinc/65/20/96/883652096.db2.gz KDOUJOXSSGGEJA-UGSOOPFHSA-N 0 1 394.899 3.566 10 0 GHAEMN CCCCOc1ccccc1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000125431508 886866545 /nfs/dbraw/zinc/86/65/45/886866545.db2.gz KZVFANPUDFCJJY-KRWDZBQOSA-N 0 1 375.513 3.583 10 0 GHAEMN Cc1nc([C@H](NC(=O)CCc2cccc(OC(C)(C)C)n2)c2ccccc2)n[nH]1 ZINC000130301474 887414768 /nfs/dbraw/zinc/41/47/68/887414768.db2.gz NPKGXRUTSZQGOT-HXUWFJFHSA-N 0 1 393.491 3.524 10 0 GHAEMN COC[C@H](NC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(Cl)cc1 ZINC000194648415 888602310 /nfs/dbraw/zinc/60/23/10/888602310.db2.gz FFOBUKHIYBZJEQ-ZWKOTPCHSA-N 0 1 399.882 3.543 10 0 GHAEMN COCCC1(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000245736124 889567962 /nfs/dbraw/zinc/56/79/62/889567962.db2.gz UTVPWAQYJNCIAA-MAUKXSAKSA-N 0 1 397.922 3.588 10 0 GHAEMN Cc1nc(CC(C)C)c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000246240596 890811630 /nfs/dbraw/zinc/81/16/30/890811630.db2.gz ZXGULEAHCSZAIU-QAPCUYQASA-N 0 1 386.565 3.685 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000072013591 891237810 /nfs/dbraw/zinc/23/78/10/891237810.db2.gz YPZZZPUHSLXRFE-FQEVSTJZSA-N 0 1 392.543 3.920 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000246814700 891310387 /nfs/dbraw/zinc/31/03/87/891310387.db2.gz BRUJFLMWIXTKIV-OXJNMPFZSA-N 0 1 386.927 3.787 10 0 GHAEMN CCN(Cc1ccccc1C)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246819392 891310934 /nfs/dbraw/zinc/31/09/34/891310934.db2.gz BXFRXTNNFOXAIA-DENIHFKCSA-N 0 1 380.536 3.832 10 0 GHAEMN CCOc1ccc(OC)cc1NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246880819 891319159 /nfs/dbraw/zinc/31/91/59/891319159.db2.gz FZOUOLCMAKUOLD-APWZRJJASA-N 0 1 398.507 3.521 10 0 GHAEMN CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000247335491 891368017 /nfs/dbraw/zinc/36/80/17/891368017.db2.gz NDGRKUMHHGXAOE-XEYPJELSSA-N 0 1 390.597 3.656 10 0 GHAEMN C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247573482 891388223 /nfs/dbraw/zinc/38/82/23/891388223.db2.gz XBRXINSHSVQLAP-CBGDNZLLSA-N 0 1 384.499 3.834 10 0 GHAEMN CN1CC[C@H](CNC(=O)CCc2ccc(O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248870279 891476363 /nfs/dbraw/zinc/47/63/63/891476363.db2.gz JSJQLRAXICMGMH-IIBYNOLFSA-N 0 1 390.886 3.927 10 0 GHAEMN COc1cc(C)c(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1F ZINC000249440317 891507969 /nfs/dbraw/zinc/50/79/69/891507969.db2.gz LZSCWOPXSTWBDY-CRAIPNDOSA-N 0 1 386.471 3.570 10 0 GHAEMN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163070839 893809947 /nfs/dbraw/zinc/80/99/47/893809947.db2.gz RSSXWVUTYWMHKS-RHSMWYFYSA-N 0 1 385.899 3.912 10 0 GHAEMN CC(C)c1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3c3nnc[nH]3)n2)cc1 ZINC000181179777 906933873 /nfs/dbraw/zinc/93/38/73/906933873.db2.gz BOQQEGXRKFPGBO-KRWDZBQOSA-N 0 1 394.479 3.665 10 0 GHAEMN O=C(Nc1cccc(COCc2ccco2)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183071738 907321976 /nfs/dbraw/zinc/32/19/76/907321976.db2.gz WEXJGPMJGOPENQ-GOSISDBHSA-N 0 1 381.436 3.874 10 0 GHAEMN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183360012 907375494 /nfs/dbraw/zinc/37/54/94/907375494.db2.gz MFGQPFUYFPDAAX-INIZCTEOSA-N 0 1 398.854 3.776 10 0 GHAEMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](C)O ZINC000036301519 570602257 /nfs/dbraw/zinc/60/22/57/570602257.db2.gz ANGDYPMBGREDJP-SFHVURJKSA-N 0 1 395.503 3.709 10 0 GHAEMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000332860158 837447164 /nfs/dbraw/zinc/44/71/64/837447164.db2.gz BDFWENLLXHMWDY-CGBFIWBNSA-N 0 1 389.588 3.659 10 0 GHAEMN Clc1ccc(-c2cc(-c3nc([C@@H]4CN5CCCC[C@@H]5CO4)no3)[nH]n2)cc1 ZINC000329748252 835860546 /nfs/dbraw/zinc/86/05/46/835860546.db2.gz ZWBBPDFUJPVLNL-PBHICJAKSA-N 0 1 385.855 3.706 10 0 GHAEMN Cc1cc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)cnc1N1CCCC[C@H]1C ZINC000296842256 835943215 /nfs/dbraw/zinc/94/32/15/835943215.db2.gz NYFYANMFPOCDBG-WBVHZDCISA-N 0 1 383.500 3.646 10 0 GHAEMN Cc1nc([C@H](N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)n[nH]1 ZINC000162491216 843264744 /nfs/dbraw/zinc/26/47/44/843264744.db2.gz VYIUWAHYXGEYGM-JLTOFOAXSA-N 0 1 390.491 3.837 10 0 GHAEMN CC(C)[C@H](C)NC(=O)C1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000101549519 851671111 /nfs/dbraw/zinc/67/11/11/851671111.db2.gz FGDSDTLDNBAYIM-CEXWTWQISA-N 0 1 399.579 3.616 10 0 GHAEMN COC(=O)CSCc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1 ZINC000103205094 863910373 /nfs/dbraw/zinc/91/03/73/863910373.db2.gz AFLOOTSXOVRKGK-UHFFFAOYSA-N 0 1 399.447 3.874 10 0 GHAEMN COCc1cc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)nc(C(C)(C)C)n1 ZINC000301775778 865531890 /nfs/dbraw/zinc/53/18/90/865531890.db2.gz GMNLXYIDJRHEFR-QFBILLFUSA-N 0 1 383.540 3.638 10 0 GHAEMN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000105024670 866236348 /nfs/dbraw/zinc/23/63/48/866236348.db2.gz SZSXZIDTDXDKJA-HXUWFJFHSA-N 0 1 378.476 3.641 10 0 GHAEMN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN2CCCC[C@@H]2C1 ZINC000104987158 870607825 /nfs/dbraw/zinc/60/78/25/870607825.db2.gz KTKNJSUGPSIYHC-OAHLLOKOSA-N 0 1 393.413 3.593 10 0 GHAEMN CCN(CC)[C@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)c1ccco1 ZINC000114826578 870756200 /nfs/dbraw/zinc/75/62/00/870756200.db2.gz MQOPRELNFIOTEG-JKSUJKDBSA-N 0 1 376.526 3.708 10 0 GHAEMN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000176368161 882682933 /nfs/dbraw/zinc/68/29/33/882682933.db2.gz MWPGTPJAEFWOJS-ZYHUDNBSSA-N 0 1 381.548 3.706 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000176525453 882711358 /nfs/dbraw/zinc/71/13/58/882711358.db2.gz CGUUHHAUIDSNQK-QAPCUYQASA-N 0 1 398.473 3.666 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000116246941 873368073 /nfs/dbraw/zinc/36/80/73/873368073.db2.gz KSRNHIZORYFQDG-KSSFIOAISA-N 0 1 377.410 3.741 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000116245868 873368707 /nfs/dbraw/zinc/36/87/07/873368707.db2.gz HHHTWJHSCJCNDQ-YWZLYKJASA-N 0 1 394.906 3.924 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000116247769 873368905 /nfs/dbraw/zinc/36/89/05/873368905.db2.gz JYACRFGHAFJHLM-UZLBHIALSA-N 0 1 383.923 3.793 10 0 GHAEMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000176606315 882719175 /nfs/dbraw/zinc/71/91/75/882719175.db2.gz RCEGUCKMRUPYIS-YCPHGPKFSA-N 0 1 377.941 3.927 10 0 GHAEMN COc1ccc(Cl)c(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000116492633 873517655 /nfs/dbraw/zinc/51/76/55/873517655.db2.gz IPEQVCYNTDAHGR-KSSFIOAISA-N 0 1 388.899 3.776 10 0 GHAEMN O=C(C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1)N1CCCCCC1 ZINC000121038027 876454557 /nfs/dbraw/zinc/45/45/57/876454557.db2.gz BGVQUKPDJFBIDF-UHFFFAOYSA-N 0 1 384.499 3.830 10 0 GHAEMN Cc1cc(NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)ccc1C(F)(F)F ZINC000180526174 883078649 /nfs/dbraw/zinc/07/86/49/883078649.db2.gz FIAOMKYXQXCMSG-QGZVFWFLSA-N 0 1 398.473 3.648 10 0 GHAEMN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183905260 883309228 /nfs/dbraw/zinc/30/92/28/883309228.db2.gz CLXVJYDESFUKFM-IBGZPJMESA-N 0 1 387.447 3.903 10 0 GHAEMN COc1ccc(NC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1OC(C)C ZINC000184197069 883326818 /nfs/dbraw/zinc/32/68/18/883326818.db2.gz IWYYGCXOELRMPI-IBGZPJMESA-N 0 1 395.463 3.820 10 0 GHAEMN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)ccc1NC(=O)c1ccco1 ZINC000184629048 883368839 /nfs/dbraw/zinc/36/88/39/883368839.db2.gz JAXVCEOIJOBJFA-MRXNPFEDSA-N 0 1 394.435 3.718 10 0 GHAEMN O[C@@H]1c2ccccc2C[C@@H]1N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186195805 883618848 /nfs/dbraw/zinc/61/88/48/883618848.db2.gz JPJGTTWNXXTURH-SLFFLAALSA-N 0 1 396.288 3.576 10 0 GHAEMN Cc1csc(C(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)c1Br ZINC000190919973 884131810 /nfs/dbraw/zinc/13/18/10/884131810.db2.gz GTCPAHUOHIOYSM-ZDUSSCGKSA-N 0 1 391.294 3.765 10 0 GHAEMN CC(C)Sc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000105390181 884733599 /nfs/dbraw/zinc/73/35/99/884733599.db2.gz NOIJDYGAILBYEN-UHFFFAOYSA-N 0 1 384.910 3.740 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)CCO1 ZINC000102798050 885976479 /nfs/dbraw/zinc/97/64/79/885976479.db2.gz KRIDEOREURITEM-LBPRGKRZSA-N 0 1 389.393 3.562 10 0 GHAEMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218207 886286567 /nfs/dbraw/zinc/28/65/67/886286567.db2.gz GSFRPXKOHFELNL-QGZVFWFLSA-N 0 1 398.466 3.938 10 0 GHAEMN Cc1nc([C@H](NC(=O)N[C@H](c2ncccc2C)C(C)C)c2ccccc2)n[nH]1 ZINC000115840893 886350215 /nfs/dbraw/zinc/35/02/15/886350215.db2.gz HPKOYKIYAAHUKT-PKOBYXMFSA-N 0 1 378.480 3.602 10 0 GHAEMN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1c1nc3ccc(C)cc3[nH]1)CCC2 ZINC000332674251 886537614 /nfs/dbraw/zinc/53/76/14/886537614.db2.gz AFAWKCOLUOHCJG-QFBILLFUSA-N 0 1 392.507 3.800 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)CCO1 ZINC000124650906 886777879 /nfs/dbraw/zinc/77/78/79/886777879.db2.gz DCZYFRIBCQAOJH-KRWDZBQOSA-N 0 1 387.524 3.725 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000245861815 889878502 /nfs/dbraw/zinc/87/85/02/889878502.db2.gz CGUUHHAUIDSNQK-MAUKXSAKSA-N 0 1 398.473 3.666 10 0 GHAEMN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cccc(F)c1F ZINC000245920186 890016034 /nfs/dbraw/zinc/01/60/34/890016034.db2.gz NQQMJDKDRMABSB-ZRGWGRIASA-N 0 1 388.462 3.631 10 0 GHAEMN O[C@H](CN1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1C(F)(F)F ZINC000245945051 890055379 /nfs/dbraw/zinc/05/53/79/890055379.db2.gz BIRLDXZLKAOGPZ-CXAGYDPISA-N 0 1 380.414 3.545 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000247062730 891339699 /nfs/dbraw/zinc/33/96/99/891339699.db2.gz BOXDJSGRSAESHK-VQIMIIECSA-N 0 1 392.528 3.846 10 0 GHAEMN Cc1[nH]c2ccc(C(=O)N[C@H]3CCN(Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000247217965 891355790 /nfs/dbraw/zinc/35/57/90/891355790.db2.gz MVHZJSIGLFFLTQ-VFNWGFHPSA-N 0 1 376.504 3.820 10 0 GHAEMN COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1OC(C)C ZINC000247240873 891357822 /nfs/dbraw/zinc/35/78/22/891357822.db2.gz OQQTVWRVQSSDDV-FXAWDEMLSA-N 0 1 397.519 3.518 10 0 GHAEMN Cc1cccnc1[C@H](NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247560528 891386018 /nfs/dbraw/zinc/38/60/18/891386018.db2.gz USUFQCBVLKDHQZ-HLAWJBBLSA-N 0 1 395.551 3.692 10 0 GHAEMN CC(C)Cn1ncc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1C(F)F ZINC000248049257 891407494 /nfs/dbraw/zinc/40/74/94/891407494.db2.gz NPQZDUBMAPBSRL-SJORKVTESA-N 0 1 376.451 3.652 10 0 GHAEMN C[C@H]1CCC[C@@H](CCNC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)C1 ZINC000333430449 902083859 /nfs/dbraw/zinc/08/38/59/902083859.db2.gz JYCBOHWXXXLWKC-VNYTWHDVSA-N 0 1 389.588 3.661 10 0 GHAEMN O=C(Nc1cc(F)c(Br)cc1F)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183353535 907372744 /nfs/dbraw/zinc/37/27/44/907372744.db2.gz OEYOIXZXCDOYLL-GFCCVEGCSA-N 0 1 386.200 3.605 10 0 GHAEMN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000183425743 907385694 /nfs/dbraw/zinc/38/56/94/907385694.db2.gz YTXOOFDJCFYPJC-OAHLLOKOSA-N 0 1 390.875 3.956 10 0 GHAEMN O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183511332 907403956 /nfs/dbraw/zinc/40/39/56/907403956.db2.gz BXPRBUUMXBOGMP-GFCCVEGCSA-N 0 1 387.337 3.644 10 0 GHAEMN CCOCCOc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184882496 907674401 /nfs/dbraw/zinc/67/44/01/907674401.db2.gz UFNYHSSRIGYHHS-HNNXBMFYSA-N 0 1 393.875 3.633 10 0 GHAEMN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000185355651 907756476 /nfs/dbraw/zinc/75/64/76/907756476.db2.gz YOUXFNRDLNRZDU-MRXNPFEDSA-N 0 1 384.484 3.857 10 0 GHAEMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000720076729 978024826 /nfs/dbraw/zinc/02/48/26/978024826.db2.gz XDZHBDPYBUQOIN-CQSZACIVSA-N 0 1 379.913 3.986 10 0 GHAEMN COc1ccc2c(CN3CCN(c4cccc(C)c4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000020352980 207188590 /nfs/dbraw/zinc/18/85/90/207188590.db2.gz SYJSUJWZOOIUCY-KRWDZBQOSA-N 0 1 378.472 3.821 10 0 GHAEMN Cc1ccc(-c2cc3n(n2)[C@H](NCCc2ccc(Cl)cc2)CNC3=O)c(C)c1 ZINC000252478640 570966775 /nfs/dbraw/zinc/96/67/75/570966775.db2.gz AQXGRWVHEKTMSK-NRFANRHFSA-N 0 1 394.906 3.895 10 0 GHAEMN Cc1nc([C@H](NC(=O)NCCc2c[nH]c3cccc(C)c23)c2ccccc2)n[nH]1 ZINC000105244173 837527344 /nfs/dbraw/zinc/52/73/44/837527344.db2.gz UALHYILYRSSRMT-HXUWFJFHSA-N 0 1 388.475 3.534 10 0 GHAEMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc(C4CCCCC4)n[nH]3)C1)CCCC2 ZINC000275451885 837065093 /nfs/dbraw/zinc/06/50/93/837065093.db2.gz FDXJVLKPJUBYFX-QGZVFWFLSA-N 0 1 381.524 3.928 10 0 GHAEMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000332732702 844526490 /nfs/dbraw/zinc/52/64/90/844526490.db2.gz NTMCLJCHNQETBP-MDZRGWNJSA-N 0 1 386.293 3.570 10 0 GHAEMN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)o1 ZINC000332853008 844593886 /nfs/dbraw/zinc/59/38/86/844593886.db2.gz GPUVOMJKZBPZDI-GDBMZVCRSA-N 0 1 386.500 3.799 10 0 GHAEMN c1nc([C@H]2CCCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)C2)n[nH]1 ZINC000408351805 842740778 /nfs/dbraw/zinc/74/07/78/842740778.db2.gz IWPKDXOABGHNPF-ZDUSSCGKSA-N 0 1 380.521 3.950 10 0 GHAEMN COc1cc([C@@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc(OC)c1OC ZINC000162529596 843263485 /nfs/dbraw/zinc/26/34/85/843263485.db2.gz UVEOEULPJFDAJV-YJYMSZOUSA-N 0 1 382.464 3.579 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)CCO1 ZINC000112211599 843349411 /nfs/dbraw/zinc/34/94/11/843349411.db2.gz KDRRXMARUUQRSA-QGZVFWFLSA-N 0 1 396.491 3.591 10 0 GHAEMN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CCN2CCCC[C@H]2C1 ZINC000105015907 845927988 /nfs/dbraw/zinc/92/79/88/845927988.db2.gz ZQEARXKTGJTUKI-INIZCTEOSA-N 0 1 393.413 3.593 10 0 GHAEMN CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000152020967 846146123 /nfs/dbraw/zinc/14/61/23/846146123.db2.gz VLNVSQCKJKPMHF-FVJLSDCUSA-N 0 1 399.560 3.598 10 0 GHAEMN COc1ccc(-c2n[nH]c(NC(=O)C(C)(C)c3ccccc3F)n2)c(OC)c1 ZINC000101517049 851633394 /nfs/dbraw/zinc/63/33/94/851633394.db2.gz MGDSJOFOIBLQJM-UHFFFAOYSA-N 0 1 384.411 3.544 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000328761923 854532267 /nfs/dbraw/zinc/53/22/67/854532267.db2.gz YKFZSOHOIIZVLJ-JYJNAYRXSA-N 0 1 389.297 3.733 10 0 GHAEMN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330113663 862583587 /nfs/dbraw/zinc/58/35/87/862583587.db2.gz DDYGECOSHHRZGA-ARFHVFGLSA-N 0 1 393.516 3.870 10 0 GHAEMN CC(C)(C)c1nnc2ccc(N3CCC(c4ncc(C(F)(F)F)[nH]4)CC3)nn21 ZINC000302588445 865852956 /nfs/dbraw/zinc/85/29/56/865852956.db2.gz VMDVLWAQBRGLEJ-UHFFFAOYSA-N 0 1 393.417 3.548 10 0 GHAEMN CN1CCN([C@H]2CCCCN(C(=O)c3sccc3-c3ccccc3)C2)CC1 ZINC000173284170 882346693 /nfs/dbraw/zinc/34/66/93/882346693.db2.gz HUKGJSCXRBVEIO-IBGZPJMESA-N 0 1 383.561 3.657 10 0 GHAEMN Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000174917536 882507761 /nfs/dbraw/zinc/50/77/61/882507761.db2.gz PDVQVSHNQHSBPV-JXFKEZNVSA-N 0 1 390.487 3.685 10 0 GHAEMN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1cccc2ncccc21 ZINC000102319824 872898973 /nfs/dbraw/zinc/89/89/73/872898973.db2.gz RKRVGKKSEQARNH-UHFFFAOYSA-N 0 1 391.456 3.698 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000116247772 873367649 /nfs/dbraw/zinc/36/76/49/873367649.db2.gz JYACRFGHAFJHLM-JXFKEZNVSA-N 0 1 383.923 3.793 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000116251565 873370151 /nfs/dbraw/zinc/37/01/51/873370151.db2.gz CVGQOALNJROYTD-XIKOKIGWSA-N 0 1 379.838 3.654 10 0 GHAEMN Cc1nc([C@@H](N[C@H](C)c2ncc(Br)s2)c2ccccc2)n[nH]1 ZINC000179223156 882982001 /nfs/dbraw/zinc/98/20/01/882982001.db2.gz BWQQQJXFLVOPEI-RNCFNFMXSA-N 0 1 378.299 3.772 10 0 GHAEMN O=C(C1CCN(Cc2c(C3CC3)nc3sccn23)CC1)N1CCCCCC1 ZINC000179612988 883013407 /nfs/dbraw/zinc/01/34/07/883013407.db2.gz XTJFCDMXMLYSMO-UHFFFAOYSA-N 0 1 386.565 3.888 10 0 GHAEMN Cc1nc([C@@H](NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2)n[nH]1 ZINC000180242794 883070174 /nfs/dbraw/zinc/07/01/74/883070174.db2.gz QPNJBYIEULUMFA-YJYMSZOUSA-N 0 1 396.878 3.881 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCO1 ZINC000184175722 883327178 /nfs/dbraw/zinc/32/71/78/883327178.db2.gz SVXUZVAEOGAHHS-GFCCVEGCSA-N 0 1 390.833 3.684 10 0 GHAEMN Cc1ccc(-c2nc(CCN[C@@H]3CCS(=O)(=O)c4ccccc43)co2)cc1 ZINC000186161831 883615852 /nfs/dbraw/zinc/61/58/52/883615852.db2.gz NVZCLAZLQAICSU-LJQANCHMSA-N 0 1 382.485 3.701 10 0 GHAEMN C[C@H](NC(=O)c1cccc2ncccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000102609415 883875811 /nfs/dbraw/zinc/87/58/11/883875811.db2.gz GKDIRCIUEDNFTG-INIZCTEOSA-N 0 1 392.478 3.617 10 0 GHAEMN Cc1nc([C@@H](NC(=O)N[C@H](COCC(C)C)c2ccco2)c2ccccc2)n[nH]1 ZINC000105219371 886012725 /nfs/dbraw/zinc/01/27/25/886012725.db2.gz ZAJXCNHEVMYJPH-MJGOQNOKSA-N 0 1 397.479 3.509 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)CCO1 ZINC000105250197 886013317 /nfs/dbraw/zinc/01/33/17/886013317.db2.gz MNZQNTIOQYASCA-IIBYNOLFSA-N 0 1 389.515 3.562 10 0 GHAEMN CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccs1 ZINC000112213686 886254015 /nfs/dbraw/zinc/25/40/15/886254015.db2.gz JVWNPKGWWXTKKF-AEFFLSMTSA-N 0 1 379.570 3.589 10 0 GHAEMN Cc1nc([C@@H](NC(=O)N[C@H](c2ncccc2C)C(C)C)c2ccccc2)n[nH]1 ZINC000115840889 886350476 /nfs/dbraw/zinc/35/04/76/886350476.db2.gz HPKOYKIYAAHUKT-HKUYNNGSSA-N 0 1 378.480 3.602 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cc2ccccc2o1 ZINC000116533292 886363415 /nfs/dbraw/zinc/36/34/15/886363415.db2.gz RQPYYHOBMPVYDN-JXFKEZNVSA-N 0 1 378.476 3.538 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000116568344 886366004 /nfs/dbraw/zinc/36/60/04/886366004.db2.gz TYYUVRXYUCDNIH-VGSWGCGISA-N 0 1 396.510 3.805 10 0 GHAEMN Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000116766706 886372293 /nfs/dbraw/zinc/37/22/93/886372293.db2.gz PJBRIYHSXDUVIY-UGKGYDQZSA-N 0 1 392.547 3.631 10 0 GHAEMN CC(C)C(=O)N1CCCN(Cc2sc(N(C)C)nc2-c2ccccc2)CC1 ZINC000123616469 886655664 /nfs/dbraw/zinc/65/56/64/886655664.db2.gz RTEFWWZOYLYJLE-UHFFFAOYSA-N 0 1 386.565 3.566 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000127194453 887038132 /nfs/dbraw/zinc/03/81/32/887038132.db2.gz QUUXKNLOVXBEHG-LPHOPBHVSA-N 0 1 391.475 3.769 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)CC2)CCO1 ZINC000245943072 890054264 /nfs/dbraw/zinc/05/42/64/890054264.db2.gz VSJNIWDEKZNWCM-ZQMYSKGWSA-N 0 1 378.516 3.655 10 0 GHAEMN COc1ccc(OCc2nc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cs2)cc1 ZINC000246155681 890558155 /nfs/dbraw/zinc/55/81/55/890558155.db2.gz QQUVHDQREKDUDV-DFQSSKMNSA-N 0 1 386.517 3.778 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)CCO1 ZINC000067682166 891159491 /nfs/dbraw/zinc/15/94/91/891159491.db2.gz UBVRRQORXJBMCK-GFCCVEGCSA-N 0 1 389.393 3.562 10 0 GHAEMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H](C)Oc2cccc(C=O)c2)[nH]1 ZINC000068304010 891175540 /nfs/dbraw/zinc/17/55/40/891175540.db2.gz QWTSHPLHSBBXPH-CQSZACIVSA-N 0 1 378.432 3.814 10 0 GHAEMN C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246789913 891306599 /nfs/dbraw/zinc/30/65/99/891306599.db2.gz MGWRGHGMSUWTBK-NIKGAXFTSA-N 0 1 382.439 3.920 10 0 GHAEMN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246789913 891306616 /nfs/dbraw/zinc/30/66/16/891306616.db2.gz MGWRGHGMSUWTBK-NIKGAXFTSA-N 0 1 382.439 3.920 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCc1cc2ccccc2o1 ZINC000246862139 891317272 /nfs/dbraw/zinc/31/72/72/891317272.db2.gz IYDCJIOMOZMAHF-LAUBAEHRSA-N 0 1 392.503 3.580 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000247057663 891339416 /nfs/dbraw/zinc/33/94/16/891339416.db2.gz OYLHMVAYAPQXNU-YHYVQYDKSA-N 0 1 378.520 3.743 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000246932852 891346303 /nfs/dbraw/zinc/34/63/03/891346303.db2.gz IMFUNHJWLBXHPY-HTAPYJJXSA-N 0 1 396.510 3.805 10 0 GHAEMN O=C1O[C@@H](CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CN1c1ccccc1 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SVMAYPBQDFAKFA-LLJZQGTPSA-N 0 1 392.906 3.732 10 0 GHAEMN CCOc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1OCC ZINC000252444724 891686476 /nfs/dbraw/zinc/68/64/76/891686476.db2.gz ZTGJFSTWBYIEFH-XLIONFOSSA-N 0 1 397.519 3.519 10 0 GHAEMN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NCC1(C)CCCCCC1 ZINC000333087408 899949803 /nfs/dbraw/zinc/94/98/03/899949803.db2.gz YRRKVAKIURRPIW-AZUAARDMSA-N 0 1 389.588 3.805 10 0 GHAEMN O=C(CCOc1ccccc1-c1ccccc1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181358243 906981553 /nfs/dbraw/zinc/98/15/53/906981553.db2.gz UVLZLXTZTSFSHO-IBGZPJMESA-N 0 1 376.460 3.994 10 0 GHAEMN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000183425764 907386253 /nfs/dbraw/zinc/38/62/53/907386253.db2.gz YTXOOFDJCFYPJC-HNNXBMFYSA-N 0 1 390.875 3.956 10 0 GHAEMN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000184084002 907513683 /nfs/dbraw/zinc/51/36/83/907513683.db2.gz WDUYRSSSBMYWQT-MRXNPFEDSA-N 0 1 389.419 3.767 10 0 GHAEMN 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ZINC000151502419 845227356 /nfs/dbraw/zinc/22/73/56/845227356.db2.gz OGOWVDCBSDZLGS-IJXRJRJASA-N 0 1 390.597 3.608 10 0 GHAEMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000332979008 845228764 /nfs/dbraw/zinc/22/87/64/845228764.db2.gz PFHGVCHAJRCACW-VLCRHTCISA-N 0 1 384.545 3.581 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000328737579 854521708 /nfs/dbraw/zinc/52/17/08/854521708.db2.gz LTWOJJALVPHGJY-OAGGEKHMSA-N 0 1 378.398 3.989 10 0 GHAEMN COc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1F ZINC000102699652 860822106 /nfs/dbraw/zinc/82/21/06/860822106.db2.gz SNHCHUWNJBSJFQ-CYBMUJFWSA-N 0 1 396.409 3.745 10 0 GHAEMN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248405164 864768938 /nfs/dbraw/zinc/76/89/38/864768938.db2.gz ANICNUJLBAQSEA-HZSPNIEDSA-N 0 1 385.434 3.692 10 0 GHAEMN Cc1ccc([C@H](NC(=O)CN2CC[C@]3(O)CCCC[C@H]3C2)c2cccs2)cc1 ZINC000248165949 864848164 /nfs/dbraw/zinc/84/81/64/864848164.db2.gz 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C[C@@H](NCc1cccnc1-n1cncn1)c1cc(Cl)ccc1OC(F)F ZINC000178055320 882861340 /nfs/dbraw/zinc/86/13/40/882861340.db2.gz NSIMRSZCPNJEKR-LLVKDONJSA-N 0 1 379.798 3.768 10 0 GHAEMN Cc1[nH]nc2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccc12 ZINC000180339897 883075748 /nfs/dbraw/zinc/07/57/48/883075748.db2.gz POXWMWAWSRBEAY-UHFFFAOYSA-N 0 1 380.423 3.501 10 0 GHAEMN Cc1ccc(OC2CCN(C(=O)CCc3nc4cccc(C)c4[nH]3)CC2)nc1 ZINC000181189368 883154388 /nfs/dbraw/zinc/15/43/88/883154388.db2.gz QXEPDIITMPGYNY-UHFFFAOYSA-N 0 1 378.476 3.577 10 0 GHAEMN O=C(Nc1cccc(C(=O)c2ccccc2)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183080421 883261300 /nfs/dbraw/zinc/26/13/00/883261300.db2.gz HAXJGCGLQQOVGK-SFHVURJKSA-N 0 1 375.432 3.795 10 0 GHAEMN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184625295 883367397 /nfs/dbraw/zinc/36/73/97/883367397.db2.gz KGYAKAPCSIXUPR-SFHVURJKSA-N 0 1 396.495 3.545 10 0 GHAEMN C[C@H](NCC[C@H]1C(=O)Nc2ccccc21)c1ncc(Br)cc1F ZINC000187315770 883768456 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C[N@H+]1CC[C@H](NC(=O)CCc2ncc(-c3ccccc3F)o2)[C@H]1c1ccccc1 ZINC000247911580 891398800 /nfs/dbraw/zinc/39/88/00/891398800.db2.gz AHUZPSUNHNYICY-WMZHIEFXSA-N 0 1 393.462 3.975 10 0 GHAEMN Fc1ccc([C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ncc[nH]2)cc1 ZINC000248847494 891474858 /nfs/dbraw/zinc/47/48/58/891474858.db2.gz SGRVKPBQLUZJAV-FCHUYYIVSA-N 0 1 394.494 3.519 10 0 GHAEMN CN1CC[C@@H](NC(=O)c2cc(Br)ncc2Cl)[C@H]1c1ccccc1 ZINC000251723025 891641250 /nfs/dbraw/zinc/64/12/50/891641250.db2.gz LWJFAYOCZLTRDZ-GDBMZVCRSA-N 0 1 394.700 3.673 10 0 GHAEMN O=C(NC1CCN(Cc2ccccn2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000105112378 898190396 /nfs/dbraw/zinc/19/03/96/898190396.db2.gz VKZHSJFLRIGUMU-UHFFFAOYSA-N 0 1 382.508 3.793 10 0 GHAEMN COc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1OCC(F)(F)F ZINC000183597540 907418228 /nfs/dbraw/zinc/41/82/28/907418228.db2.gz CMXRBFQAVJRQAQ-GFCCVEGCSA-N 0 1 399.373 3.514 10 0 GHAEMN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000192570661 908800328 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Cc1cccc2nc(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)[nH]c21 ZINC000176216542 882646978 /nfs/dbraw/zinc/64/69/78/882646978.db2.gz SGNRCHLNDSRTCV-KRWDZBQOSA-N 0 1 377.444 3.896 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000116246940 873368964 /nfs/dbraw/zinc/36/89/64/873368964.db2.gz KSRNHIZORYFQDG-KDOFPFPSSA-N 0 1 377.410 3.741 10 0 GHAEMN Cc1cccc(OCCCCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000116249500 873369996 /nfs/dbraw/zinc/36/99/96/873369996.db2.gz YOYVZHVXSVCJRN-REWPJTCUSA-N 0 1 395.547 3.966 10 0 GHAEMN COc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000116476707 873513307 /nfs/dbraw/zinc/51/33/07/873513307.db2.gz NRFFCIORBFUGFZ-KDOFPFPSSA-N 0 1 388.899 3.776 10 0 GHAEMN CCc1nc2cc(NC(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116569862 873567554 /nfs/dbraw/zinc/56/75/54/873567554.db2.gz RSBVWMZHLXIPEX-MAUKXSAKSA-N 0 1 393.491 3.817 10 0 GHAEMN Cc1cc(NC(=O)C2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)no1 ZINC000179577359 883010764 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COCCOc1ccc([C@@H](C)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1OC ZINC000162542899 843271615 /nfs/dbraw/zinc/27/16/15/843271615.db2.gz HPFYTIYMNYRFNT-QVKFZJNVSA-N 0 1 396.491 3.587 10 0 GHAEMN Cc1nc([C@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)n[nH]1 ZINC000162618865 843277799 /nfs/dbraw/zinc/27/77/99/843277799.db2.gz ZFOHCYWBSJCRAK-QVKFZJNVSA-N 0 1 375.476 3.680 10 0 GHAEMN C[C@H](CC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000152038222 846165055 /nfs/dbraw/zinc/16/50/55/846165055.db2.gz NYDFRBCBOVUYTB-XFQAVAEZSA-N 0 1 387.474 3.880 10 0 GHAEMN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163302032 859873970 /nfs/dbraw/zinc/87/39/70/859873970.db2.gz RLWVUVCHRVUREY-CRAIPNDOSA-N 0 1 383.471 3.788 10 0 GHAEMN COc1ccc(OC)c([C@H](C)NC(=O)CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000102686318 860838697 /nfs/dbraw/zinc/83/86/97/860838697.db2.gz JDRUZQCKVZLCLX-KGLIPLIRSA-N 0 1 376.884 3.885 10 0 GHAEMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285808 863939203 /nfs/dbraw/zinc/93/92/03/863939203.db2.gz ZWIDGHALHOPFSR-DOTOQJQBSA-N 0 1 396.922 3.824 10 0 GHAEMN Cc1nc([C@H](NC(=O)Nc2ccc3cnn(C(C)C)c3c2)c2ccccc2)n[nH]1 ZINC000171753106 882158962 /nfs/dbraw/zinc/15/89/62/882158962.db2.gz XRENKUJDQAWYRY-LJQANCHMSA-N 0 1 389.463 3.955 10 0 GHAEMN O=C(Nc1cccc(Cl)c1O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172355915 882278417 /nfs/dbraw/zinc/27/84/17/882278417.db2.gz BGKGKKABCWSORH-UHFFFAOYSA-N 0 1 376.815 3.676 10 0 GHAEMN Cc1nc([C@H](NC(=O)Nc2ccc(F)cc2OC(F)F)c2ccccc2)n[nH]1 ZINC000174052222 882418354 /nfs/dbraw/zinc/41/83/54/882418354.db2.gz FLFGWQXRZSRLEE-OAHLLOKOSA-N 0 1 391.353 3.765 10 0 GHAEMN Cc1cc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)ccc1C(F)(F)F ZINC000174295768 882445636 /nfs/dbraw/zinc/44/56/36/882445636.db2.gz LDNKLNGNNNGUJV-AWEZNQCLSA-N 0 1 385.430 3.731 10 0 GHAEMN O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCCN(C2CC2)CC1 ZINC000174390954 882461829 /nfs/dbraw/zinc/46/18/29/882461829.db2.gz IUBXCANAUOKXFC-UHFFFAOYSA-N 0 1 388.924 3.592 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000116245162 873365688 /nfs/dbraw/zinc/36/56/88/873365688.db2.gz BWAVIOXDKVISQF-PBHICJAKSA-N 0 1 398.557 3.907 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1Cl ZINC000116475424 873512901 /nfs/dbraw/zinc/51/29/01/873512901.db2.gz BNYFQSFWMSJQNN-DYVFJYSZSA-N 0 1 376.863 3.906 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000119128539 874938563 /nfs/dbraw/zinc/93/85/63/874938563.db2.gz YWZDSIWQPSICRQ-SJCJKPOMSA-N 0 1 378.398 3.531 10 0 GHAEMN Cc1nc([C@H](NC(=O)Nc2cn(-c3ccccc3)nc2C)c2ccccc2)n[nH]1 ZINC000183666088 883293950 /nfs/dbraw/zinc/29/39/50/883293950.db2.gz QWLYATBSQBNCRC-LJQANCHMSA-N 0 1 387.447 3.518 10 0 GHAEMN Cc1nc([C@H](NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c2ccccc2)n[nH]1 ZINC000186153375 883615554 /nfs/dbraw/zinc/61/55/54/883615554.db2.gz HTMVYTFRYXJRNH-QWQRMKEZSA-N 0 1 386.377 3.540 10 0 GHAEMN Cc1nc([C@H](NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c2ccccc2)n[nH]1 ZINC000186153336 883615953 /nfs/dbraw/zinc/61/59/53/883615953.db2.gz HTMVYTFRYXJRNH-HBUWYVDXSA-N 0 1 386.377 3.540 10 0 GHAEMN O=S1(=O)CC[C@@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000186305438 883630852 /nfs/dbraw/zinc/63/08/52/883630852.db2.gz MTDRYOAEJMDVLI-SCLBCKFNSA-N 0 1 394.899 3.566 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)CCO1 ZINC000189372564 883941998 /nfs/dbraw/zinc/94/19/98/883941998.db2.gz QRVKNELVDFFNAA-GOSISDBHSA-N 0 1 376.516 3.640 10 0 GHAEMN CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000191713735 884205602 /nfs/dbraw/zinc/20/56/02/884205602.db2.gz GKQUVJNSWLWUJL-LAUBAEHRSA-N 0 1 397.519 3.519 10 0 GHAEMN CCCN(CCc1ccccn1)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000105222217 884693554 /nfs/dbraw/zinc/69/35/54/884693554.db2.gz MNODFURVCDOGIC-FQEVSTJZSA-N 0 1 384.524 3.784 10 0 GHAEMN CCOc1cccc([C@H](C)NC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)c1 ZINC000105203251 886012909 /nfs/dbraw/zinc/01/29/09/886012909.db2.gz NDNBXXZJAHRSDB-IFXJQAMLSA-N 0 1 379.464 3.662 10 0 GHAEMN CCCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116568682 886365216 /nfs/dbraw/zinc/36/52/16/886365216.db2.gz FEUJMNDZCFICDD-UGKGYDQZSA-N 0 1 380.536 3.914 10 0 GHAEMN COc1ccccc1C(C)(C)NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116544790 886366364 /nfs/dbraw/zinc/36/63/64/886366364.db2.gz NUCBYJLFZQLJLH-PXNSSMCTSA-N 0 1 396.535 3.535 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000127194215 887037897 /nfs/dbraw/zinc/03/78/97/887037897.db2.gz QUUXKNLOVXBEHG-APWZRJJASA-N 0 1 391.475 3.769 10 0 GHAEMN Cc1csc(C2CCN(Cc3c(C)nn(C)c3OCC(F)(F)F)CC2)n1 ZINC000127544842 887073657 /nfs/dbraw/zinc/07/36/57/887073657.db2.gz LCCPBUZDZCWOML-UHFFFAOYSA-N 0 1 388.459 3.814 10 0 GHAEMN O=C(Cc1nc(CN[C@H]2CCCC[C@H]2n2cccn2)cs1)Nc1ccccc1 ZINC000128294901 887166715 /nfs/dbraw/zinc/16/67/15/887166715.db2.gz VJZMXHBFXXBINF-RBUKOAKNSA-N 0 1 395.532 3.794 10 0 GHAEMN O=C(Cc1nc(CN[C@@H]2CCCC[C@@H]2n2cccn2)cs1)Nc1ccccc1 ZINC000128294134 887167006 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GHAEMN CCc1cccc2c(CC(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@H]3C)c[nH]c21 ZINC000247165507 891350688 /nfs/dbraw/zinc/35/06/88/891350688.db2.gz JGMPHRVBCXQLLD-VGOFRKELSA-N 0 1 390.531 3.695 10 0 GHAEMN COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000247569973 891387327 /nfs/dbraw/zinc/38/73/27/891387327.db2.gz WKSBKFIEZLLGSG-KGVIQGDOSA-N 0 1 396.535 3.703 10 0 GHAEMN COc1cc(C)c(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1F ZINC000249440320 891507441 /nfs/dbraw/zinc/50/74/41/891507441.db2.gz LZSCWOPXSTWBDY-QAPCUYQASA-N 0 1 386.471 3.570 10 0 GHAEMN O=C(Nc1cccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1)c1cccs1 ZINC000183066096 907320263 /nfs/dbraw/zinc/32/02/63/907320263.db2.gz BBYSDIYMVMEYFL-HNNXBMFYSA-N 0 1 396.476 3.878 10 0 GHAEMN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184143424 907523873 /nfs/dbraw/zinc/52/38/73/907523873.db2.gz DCTCZWMPMDXLTR-INIZCTEOSA-N 0 1 390.438 3.832 10 0 GHAEMN Cc1cc(Br)c(F)cc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000184833969 907666301 /nfs/dbraw/zinc/66/63/01/907666301.db2.gz XNNIRYDHVIGECF-CYBMUJFWSA-N 0 1 382.237 3.774 10 0 GHAEMN C[N@H+]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000020335458 207189097 /nfs/dbraw/zinc/18/90/97/207189097.db2.gz LKHNLLDWJZXKIH-QPJJXVBHSA-N 0 1 376.865 3.740 10 0 GHAEMN CN(Cc1ccc(Br)nc1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075345 208152805 /nfs/dbraw/zinc/15/28/05/208152805.db2.gz VVYMITYPMBRULD-CQSZACIVSA-N 0 1 384.318 3.675 10 0 GHAEMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103176592 837272374 /nfs/dbraw/zinc/27/23/74/837272374.db2.gz BYVBMROFLXWFIH-UNMCSNQZSA-N 0 1 390.487 3.900 10 0 GHAEMN Cc1nc([C@H](NC(=O)NCCCc2c[nH]c3ccccc23)c2ccccc2)n[nH]1 ZINC000107852094 838857139 /nfs/dbraw/zinc/85/71/39/838857139.db2.gz PUABYNHCOYVMLF-HXUWFJFHSA-N 0 1 388.475 3.616 10 0 GHAEMN Cc1nc([C@@H](C)NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cs1 ZINC000332849306 844592434 /nfs/dbraw/zinc/59/24/34/844592434.db2.gz DJVFVEGCDAVFIW-CZUORRHYSA-N 0 1 396.520 3.887 10 0 GHAEMN COc1ccc([C@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1NC(C)=O ZINC000162594622 843281890 /nfs/dbraw/zinc/28/18/90/843281890.db2.gz NLVBUTSOAWZYCZ-RBZFPXEDSA-N 0 1 379.464 3.520 10 0 GHAEMN COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3ccc(O)cc3)CCN2C2CC2)c1 ZINC000588466451 843730825 /nfs/dbraw/zinc/73/08/25/843730825.db2.gz CBYNRDHQXPWQAM-IGGMBJJLSA-N 0 1 378.472 3.508 10 0 GHAEMN C[C@H](CNC(=O)NCCCCN1CCOCC1)c1c(Cl)cccc1Cl ZINC000101982141 852092094 /nfs/dbraw/zinc/09/20/94/852092094.db2.gz LCCVPZHPWIHGSW-CQSZACIVSA-N 0 1 388.339 3.509 10 0 GHAEMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000157264689 853829779 /nfs/dbraw/zinc/82/97/79/853829779.db2.gz QIZRBSNHBUVYAJ-CDYZOSCDSA-N 0 1 382.552 3.731 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000328663834 854494871 /nfs/dbraw/zinc/49/48/71/854494871.db2.gz BFWKOXPRCKIZSM-XHSDSOJGSA-N 0 1 378.398 3.989 10 0 GHAEMN COc1ccc([C@@H](C)NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1F ZINC000102699603 860570744 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BYVBMROFLXWFIH-RBBKRZOGSA-N 0 1 390.487 3.900 10 0 GHAEMN Cc1nc([C@H](N[C@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)n[nH]1 ZINC000162546681 843272768 /nfs/dbraw/zinc/27/27/68/843272768.db2.gz VOPWAMSCIQKLMW-AUUYWEPGSA-N 0 1 377.448 3.510 10 0 GHAEMN Cc1ccc([C@H](CNC(=O)Nc2cccc(-c3noc(C)n3)c2)N2CCCC2)o1 ZINC000101750200 851869615 /nfs/dbraw/zinc/86/96/15/851869615.db2.gz XAVJVLIULALWIZ-SFHVURJKSA-N 0 1 395.463 3.905 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000328737580 854521467 /nfs/dbraw/zinc/52/14/67/854521467.db2.gz LTWOJJALVPHGJY-PMPSAXMXSA-N 0 1 378.398 3.989 10 0 GHAEMN O=C(NCCN1CCc2ccccc2C1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103177608 863902453 /nfs/dbraw/zinc/90/24/53/863902453.db2.gz ZXLQRZKEIUBBJD-HSZRJFAPSA-N 0 1 386.499 3.529 10 0 GHAEMN CC(C)Sc1ccc([C@@H](C)NC(=O)NCCCCN2CCOCC2)cc1 ZINC000103512301 864046349 /nfs/dbraw/zinc/04/63/49/864046349.db2.gz VXDNHEWDEBVSPQ-QGZVFWFLSA-N 0 1 379.570 3.660 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000172306986 882198241 /nfs/dbraw/zinc/19/82/41/882198241.db2.gz SIJUFZLWYIXZBA-RFWXGWTQSA-N 0 1 377.532 3.918 10 0 GHAEMN Cc1c2cc(F)ccc2sc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000173282067 882346621 /nfs/dbraw/zinc/34/66/21/882346621.db2.gz XNALWWJNRRWRIO-KRWDZBQOSA-N 0 1 389.540 3.591 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173787955 882405083 /nfs/dbraw/zinc/40/50/83/882405083.db2.gz ZNCGZVRAVJKTGT-ZHRRBRCNSA-N 0 1 392.478 3.856 10 0 GHAEMN COc1cc(CN2CCC(n3cncn3)CC2)ccc1OCc1ccccc1 ZINC000092648111 882410209 /nfs/dbraw/zinc/41/02/09/882410209.db2.gz VWRWBOKMAIFVFM-UHFFFAOYSA-N 0 1 378.476 3.703 10 0 GHAEMN Cc1ccccc1OCCCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116246160 873367989 /nfs/dbraw/zinc/36/79/89/873367989.db2.gz JPXGIQFQVQIAQR-FPOVZHCZSA-N 0 1 381.520 3.576 10 0 GHAEMN Cc1c([C@H](C)NCc2cccnc2-n2cncn2)cnn1-c1cc(C)ccc1C ZINC000178048522 882860748 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CC(=O)N1CC[C@H](NCc2cnn(-c3ccccc3)c2)c2ccc(F)cc2C1 ZINC000185365260 883442917 /nfs/dbraw/zinc/44/29/17/883442917.db2.gz QRWKKVXEWFUCKE-QFIPXVFZSA-N 0 1 378.451 3.595 10 0 GHAEMN COc1cc(NC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)ccc1OC(C)C ZINC000186232065 883623489 /nfs/dbraw/zinc/62/34/89/883623489.db2.gz XKKWFXPZWBOHBF-LJQANCHMSA-N 0 1 395.463 3.820 10 0 GHAEMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc2c(c1)NC(=O)C2 ZINC000190031267 884043703 /nfs/dbraw/zinc/04/37/03/884043703.db2.gz SCONMQFKEYOGJQ-QFIPXVFZSA-N 0 1 382.423 3.577 10 0 GHAEMN Cc1nc([C@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2ccccc2)n[nH]1 ZINC000192313176 884251277 /nfs/dbraw/zinc/25/12/77/884251277.db2.gz BKKBTVCHEDYBPD-OAHLLOKOSA-N 0 1 391.262 3.913 10 0 GHAEMN COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116244193 886359195 /nfs/dbraw/zinc/35/91/95/886359195.db2.gz XNZMSTVUJYPVKR-IPJJNNNSSA-N 0 1 395.547 3.686 10 0 GHAEMN C[C@H](NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000125819443 886903444 /nfs/dbraw/zinc/90/34/44/886903444.db2.gz SATSRKRIQHPYFR-GJZGRUSLSA-N 0 1 399.457 3.661 10 0 GHAEMN C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ncc(Br)s1 ZINC000245621139 889080210 /nfs/dbraw/zinc/08/02/10/889080210.db2.gz BKQSWYCUSGJVOW-VNHYZAJKSA-N 0 1 395.370 3.862 10 0 GHAEMN CN1CC[C@H](CNC(=O)C[C@@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246428282 891236825 /nfs/dbraw/zinc/23/68/25/891236825.db2.gz NRGKPKWEHGCFAR-BSIFCXSSSA-N 0 1 390.886 3.712 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000246806678 891308432 /nfs/dbraw/zinc/30/84/32/891308432.db2.gz RGTSJHHQNZSIGR-OXJNMPFZSA-N 0 1 384.499 3.666 10 0 GHAEMN COc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000247033407 891334425 /nfs/dbraw/zinc/33/44/25/891334425.db2.gz NRFFCIORBFUGFZ-RDTXWAMCSA-N 0 1 388.899 3.776 10 0 GHAEMN C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247044266 891337713 /nfs/dbraw/zinc/33/77/13/891337713.db2.gz YDMKMMNRHRHNIY-FGSXEWAUSA-N 0 1 383.511 3.816 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)COc1cccc2ccccc21 ZINC000247060856 891339535 /nfs/dbraw/zinc/33/95/35/891339535.db2.gz PDGODOJHFXTMMO-PGRDOPGGSA-N 0 1 389.499 3.640 10 0 GHAEMN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247104689 891344592 /nfs/dbraw/zinc/34/45/92/891344592.db2.gz FIVRUBZSCUYAIS-FTRWYGJKSA-N 0 1 387.911 3.529 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1 ZINC000247098517 891345365 /nfs/dbraw/zinc/34/53/65/891345365.db2.gz FCHZHQMUBJKETQ-OXQOHEQNSA-N 0 1 387.911 3.531 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(Cl)s1 ZINC000247097471 891345544 /nfs/dbraw/zinc/34/55/44/891345544.db2.gz FABBPKUHJGCMLO-RHSMWYFYSA-N 0 1 377.941 3.756 10 0 GHAEMN CN1CC[C@@H](NC(=O)c2c(F)cccc2Br)[C@H]1c1ccccc1 ZINC000248125413 891410795 /nfs/dbraw/zinc/41/07/95/891410795.db2.gz VHQPUFLUSNMRIC-NVXWUHKLSA-N 0 1 377.257 3.763 10 0 GHAEMN CN1CC[C@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000248558924 891428907 /nfs/dbraw/zinc/42/89/07/891428907.db2.gz LZSPTCAKLRXDSX-WSTZPKSXSA-N 0 1 390.936 3.594 10 0 GHAEMN CC[C@H](NC(=O)Nc1ccccc1N1CCN(CC)CC1)c1nc(C)cs1 ZINC000104774900 898161627 /nfs/dbraw/zinc/16/16/27/898161627.db2.gz CNWLWMWXBBVVBA-INIZCTEOSA-N 0 1 387.553 3.866 10 0 GHAEMN O=C(CN1CCCC[C@H]1c1nnc[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000121742454 901668885 /nfs/dbraw/zinc/66/88/85/901668885.db2.gz OXMMQDDFRDKYAC-ZDUSSCGKSA-N 0 1 387.793 3.643 10 0 GHAEMN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)ccc1OCC(F)(F)F ZINC000183082429 907325190 /nfs/dbraw/zinc/32/51/90/907325190.db2.gz DWZJZKHLHDYCEB-CYBMUJFWSA-N 0 1 383.374 3.813 10 0 GHAEMN CCCN(C(=O)c1ccccc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1)C(C)C ZINC000183293452 907363451 /nfs/dbraw/zinc/36/34/51/907363451.db2.gz IMWBGZIFAXXJIZ-SFHVURJKSA-N 0 1 398.511 3.824 10 0 GHAEMN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000191780322 908671434 /nfs/dbraw/zinc/67/14/34/908671434.db2.gz XZDFVJBJLUTLCE-WFASDCNBSA-N 0 1 393.875 3.631 10 0 GHAEMN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc(C)c1Br ZINC000192419146 908784428 /nfs/dbraw/zinc/78/44/28/908784428.db2.gz OAKUVSGAUZAHPF-CYBMUJFWSA-N 0 1 378.274 3.943 10 0 GHAEMN COCCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1ccc(C)cc1 ZINC000015920764 207067676 /nfs/dbraw/zinc/06/76/76/207067676.db2.gz NRWNMVQKOXJFLA-JOCHJYFZSA-N 0 1 391.471 3.975 10 0 GHAEMN CC(C)(C)c1nsc(NC(=O)c2ccc(CN3CCSCC3)cc2)n1 ZINC000068071860 838014455 /nfs/dbraw/zinc/01/44/55/838014455.db2.gz SRLMPHGHEYFVOL-UHFFFAOYSA-N 0 1 376.551 3.637 10 0 GHAEMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cccc(Br)c3F)n1)OC2 ZINC000329668067 861977313 /nfs/dbraw/zinc/97/73/13/861977313.db2.gz LQSPTMHWDXOFDT-LRDDRELGSA-N 0 1 382.233 3.564 10 0 GHAEMN Cc1nc2c(Cl)cccc2c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1C ZINC000329690781 862090791 /nfs/dbraw/zinc/09/07/91/862090791.db2.gz GNDCDDDLUPHUJB-OAHLLOKOSA-N 0 1 393.940 3.509 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000328744637 854525149 /nfs/dbraw/zinc/52/51/49/854525149.db2.gz OXEHTWUEQJJUNI-JYJNAYRXSA-N 0 1 389.297 3.733 10 0 GHAEMN CC(C)c1cc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c(O)c(C(C)C)c1 ZINC000125313567 854702472 /nfs/dbraw/zinc/70/24/72/854702472.db2.gz VJVWEASUIZKFPI-QGZVFWFLSA-N 0 1 388.552 3.964 10 0 GHAEMN Cc1nc([C@@H]2CN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CCO2)n[nH]1 ZINC000173085618 860748849 /nfs/dbraw/zinc/74/88/49/860748849.db2.gz GCEUXEHFUMVVKM-CABCVRRESA-N 0 1 388.537 3.539 10 0 GHAEMN Cc1cc(N2CCC[C@@H](N[C@H]3C[C@H](C)Sc4sccc43)C2=O)n(C)n1 ZINC000329238990 861183505 /nfs/dbraw/zinc/18/35/05/861183505.db2.gz QAFXITLLWGBNEH-CFVMTHIKSA-N 0 1 376.551 3.501 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)[nH]c21 ZINC000175046611 882518999 /nfs/dbraw/zinc/51/89/99/882518999.db2.gz RKWRDWCSDJFUFF-MRXNPFEDSA-N 0 1 388.475 3.604 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000116252845 873371452 /nfs/dbraw/zinc/37/14/52/873371452.db2.gz RMIMNGOHZRDANF-UZLBHIALSA-N 0 1 387.524 3.730 10 0 GHAEMN CCOc1cc(F)ccc1NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116487248 873516011 /nfs/dbraw/zinc/51/60/11/873516011.db2.gz PDXAKXNGXKKTQZ-YJBOKZPZSA-N 0 1 386.471 3.652 10 0 GHAEMN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000178475262 882896327 /nfs/dbraw/zinc/89/63/27/882896327.db2.gz RCGMJOWSSQQJNZ-RTBURBONSA-N 0 1 377.444 3.515 10 0 GHAEMN Cc1ncc(CN2CCC(C(=O)N3CCCCCC3)CC2)n1-c1ccccc1 ZINC000121038202 876454517 /nfs/dbraw/zinc/45/45/17/876454517.db2.gz DUISEDADCUZWGN-UHFFFAOYSA-N 0 1 380.536 3.795 10 0 GHAEMN O=C(C=Cc1ccc(Oc2cccnc2)c(F)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000182108421 883204558 /nfs/dbraw/zinc/20/45/58/883204558.db2.gz GWRMZANAECSJDH-PDFOZTTASA-N 0 1 393.422 3.898 10 0 GHAEMN CC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c(C(F)(F)F)c1 ZINC000183065770 883259798 /nfs/dbraw/zinc/25/97/98/883259798.db2.gz KTECXQXTRSUKID-AWEZNQCLSA-N 0 1 396.373 3.541 10 0 GHAEMN CSCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000184775102 883393501 /nfs/dbraw/zinc/39/35/01/883393501.db2.gz RSZRJHFCLKQLQS-APWZRJJASA-N 0 1 384.549 3.977 10 0 GHAEMN CSCc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000184775102 883393518 /nfs/dbraw/zinc/39/35/18/883393518.db2.gz RSZRJHFCLKQLQS-APWZRJJASA-N 0 1 384.549 3.977 10 0 GHAEMN CC(=O)N1CC[C@@H](NCc2cc3ccccc3[nH]c2=O)c2ccc(F)cc2C1 ZINC000185364998 883440635 /nfs/dbraw/zinc/44/06/35/883440635.db2.gz YGMJOFWLYAQDJB-OAQYLSRUSA-N 0 1 379.435 3.663 10 0 GHAEMN CSCc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000187184485 883759587 /nfs/dbraw/zinc/75/95/87/883759587.db2.gz AHOQYPSHRZEGQR-UTKZUKDTSA-N 0 1 398.576 3.654 10 0 GHAEMN Cc1ccc(C(=O)NCC2CC2)cc1NC1CCN(Cc2ccncc2)CC1 ZINC000187326418 883770762 /nfs/dbraw/zinc/77/07/62/883770762.db2.gz JBTKNUAVJWHWCX-UHFFFAOYSA-N 0 1 378.520 3.606 10 0 GHAEMN COc1cc(SC)ccc1NC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000192671640 884288053 /nfs/dbraw/zinc/28/80/53/884288053.db2.gz VFWDZCKYBRVJIK-KRWDZBQOSA-N 0 1 383.477 3.755 10 0 GHAEMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628308 886798846 /nfs/dbraw/zinc/79/88/46/886798846.db2.gz ZHAHFEXWEFLCLJ-VQTJNVASSA-N 0 1 399.579 3.675 10 0 GHAEMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628310 886799399 /nfs/dbraw/zinc/79/93/99/886799399.db2.gz ZHAHFEXWEFLCLJ-PMACEKPBSA-N 0 1 399.579 3.675 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccccc3OC3CCCC3)CC2)CCO1 ZINC000124822240 886802691 /nfs/dbraw/zinc/80/26/91/886802691.db2.gz UCRJMLYXENTDKU-QGZVFWFLSA-N 0 1 387.524 3.725 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)CCO1 ZINC000125991059 886921197 /nfs/dbraw/zinc/92/11/97/886921197.db2.gz NYLBKPYNGFVNPC-OAHLLOKOSA-N 0 1 399.457 3.899 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000126335614 886959431 /nfs/dbraw/zinc/95/94/31/886959431.db2.gz UNLCLHDIFWIHGP-UGSOOPFHSA-N 0 1 395.400 3.880 10 0 GHAEMN CC(C)Sc1ccccc1NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000126698513 886996813 /nfs/dbraw/zinc/99/68/13/886996813.db2.gz YDXNYWRAPQTFSJ-SFHVURJKSA-N 0 1 390.597 3.821 10 0 GHAEMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000132874937 887708484 /nfs/dbraw/zinc/70/84/84/887708484.db2.gz MJUPRLNUCSPSPZ-LJQANCHMSA-N 0 1 398.470 3.882 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000245565459 888965590 /nfs/dbraw/zinc/96/55/90/888965590.db2.gz PNVIQGSDPAGYMO-HRAATJIYSA-N 0 1 399.485 3.808 10 0 GHAEMN CN1CC[C@H](CNC(=O)Cc2cccc(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245664320 889187636 /nfs/dbraw/zinc/18/76/36/889187636.db2.gz GPWHVPQJMMPMPO-FOIQADDNSA-N 0 1 376.859 3.536 10 0 GHAEMN CN(Cc1ccco1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245755682 889649044 /nfs/dbraw/zinc/64/90/44/889649044.db2.gz YIRVMRXLKGOIRS-KBXCAEBGSA-N 0 1 379.863 3.907 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000245810998 889768990 /nfs/dbraw/zinc/76/89/90/889768990.db2.gz QWYWWVYIKXDVJH-SJKOYZFVSA-N 0 1 393.318 3.611 10 0 GHAEMN CN1CC[C@H](CNC(=O)C[C@@H](O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246428317 891236070 /nfs/dbraw/zinc/23/60/70/891236070.db2.gz NRGKPKWEHGCFAR-OZOXKJRCSA-N 0 1 390.886 3.712 10 0 GHAEMN CCCOc1ccc(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246759869 891304155 /nfs/dbraw/zinc/30/41/55/891304155.db2.gz HQXWIPGXBQQRJD-XXBNENTESA-N 0 1 395.547 3.830 10 0 GHAEMN CCCOc1ccc(CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000246759869 891304170 /nfs/dbraw/zinc/30/41/70/891304170.db2.gz HQXWIPGXBQQRJD-XXBNENTESA-N 0 1 395.547 3.830 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000246825064 891312735 /nfs/dbraw/zinc/31/27/35/891312735.db2.gz CEWZDVSPTCULNF-NEWSRXKRSA-N 0 1 384.549 3.900 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000247028523 891334698 /nfs/dbraw/zinc/33/46/98/891334698.db2.gz NHEJDSQVOZXEAW-VGOFRKELSA-N 0 1 396.510 3.805 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000247152504 891349444 /nfs/dbraw/zinc/34/94/44/891349444.db2.gz ILODSFXTMZEAEX-QAJUQPOASA-N 0 1 383.923 3.865 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000247329498 891368909 /nfs/dbraw/zinc/36/89/09/891368909.db2.gz YAAUVWSAZVJZIA-QAJUQPOASA-N 0 1 383.923 3.865 10 0 GHAEMN CCc1nc2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000247546892 891383007 /nfs/dbraw/zinc/38/30/07/891383007.db2.gz RSBVWMZHLXIPEX-CRAIPNDOSA-N 0 1 393.491 3.817 10 0 GHAEMN CCc1nc2cc(NC(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000247546892 891383019 /nfs/dbraw/zinc/38/30/19/891383019.db2.gz RSBVWMZHLXIPEX-CRAIPNDOSA-N 0 1 393.491 3.817 10 0 GHAEMN C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)[C@H]1c1ccccc1 ZINC000247914422 891398680 /nfs/dbraw/zinc/39/86/80/891398680.db2.gz AUGROKNRAQVBQE-UKRRQHHQSA-N 0 1 383.801 3.929 10 0 GHAEMN CN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)[C@H]1c1ccccc1 ZINC000247914422 891398700 /nfs/dbraw/zinc/39/87/00/891398700.db2.gz AUGROKNRAQVBQE-UKRRQHHQSA-N 0 1 383.801 3.929 10 0 GHAEMN CN1CC[C@H](NC(=O)c2c(F)cccc2Br)[C@H]1c1ccccc1 ZINC000248125409 891411089 /nfs/dbraw/zinc/41/10/89/891411089.db2.gz VHQPUFLUSNMRIC-DOTOQJQBSA-N 0 1 377.257 3.763 10 0 GHAEMN Cc1cc(C)c(N2CC[C@H](N[C@@H](C)c3ccc([S@@](C)=O)cc3)C2=O)c(C)c1 ZINC000249097996 891495546 /nfs/dbraw/zinc/49/55/46/891495546.db2.gz OZMFQZXYJAAPPV-QXFFETOOSA-N 0 1 384.545 3.805 10 0 GHAEMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181166288 906930582 /nfs/dbraw/zinc/93/05/82/906930582.db2.gz AQXOULLOSPYUEA-OAHLLOKOSA-N 0 1 385.468 3.667 10 0 GHAEMN CC(C)c1noc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3nnc[nH]3)cc2)n1 ZINC000183078694 907323504 /nfs/dbraw/zinc/32/35/04/907323504.db2.gz ZJKSBGGULDMPJA-OAHLLOKOSA-N 0 1 381.440 3.737 10 0 GHAEMN O=C(Nc1c(F)cc(Br)cc1F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183084820 907325907 /nfs/dbraw/zinc/32/59/07/907325907.db2.gz ODYDRCATFZTJLN-NSHDSACASA-N 0 1 386.200 3.605 10 0 GHAEMN O=C(Nc1ccc(Br)c(Cl)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183318545 907366641 /nfs/dbraw/zinc/36/66/41/907366641.db2.gz QLHGZRDTFDPSGR-LBPRGKRZSA-N 0 1 384.665 3.980 10 0 GHAEMN COCCCN1C(=O)c2n[nH]c(-c3ccc(C)cc3)c2[C@@H]1c1ccc(OC)cc1 ZINC000015920635 207067718 /nfs/dbraw/zinc/06/77/18/207067718.db2.gz DKQRIFCBFDWQMC-QFIPXVFZSA-N 0 1 391.471 3.975 10 0 GHAEMN [NH3+][C@](CC(=O)[O-])(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000021301414 207229124 /nfs/dbraw/zinc/22/91/24/207229124.db2.gz KGUHHPRYBKNVGO-DEOSSOPVSA-N 0 1 387.435 3.671 10 0 GHAEMN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(Cl)ccc1O ZINC000090484963 208110734 /nfs/dbraw/zinc/11/07/34/208110734.db2.gz CEGDXWCPUFJDJX-UHFFFAOYSA-N 0 1 379.743 3.591 10 0 GHAEMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651165 835529329 /nfs/dbraw/zinc/52/93/29/835529329.db2.gz KTNWRPIAIZFZMY-RDJZCZTQSA-N 0 1 394.475 3.501 10 0 GHAEMN Cc1csc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)c1Br ZINC000329665288 835566269 /nfs/dbraw/zinc/56/62/69/835566269.db2.gz KJAVAYYNADFKEV-BONVTDFDSA-N 0 1 384.299 3.795 10 0 GHAEMN Cc1csc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)c1Br ZINC000329665290 835566516 /nfs/dbraw/zinc/56/65/16/835566516.db2.gz KJAVAYYNADFKEV-ZUZCIYMTSA-N 0 1 384.299 3.795 10 0 GHAEMN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000247777930 844393267 /nfs/dbraw/zinc/39/32/67/844393267.db2.gz RCVDKGUDYBVZEA-RHSMWYFYSA-N 0 1 389.931 3.596 10 0 GHAEMN Cc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1OCC1CCOCC1 ZINC000119490965 840322962 /nfs/dbraw/zinc/32/29/62/840322962.db2.gz BEKCSGWJWNNEBO-HXUWFJFHSA-N 0 1 387.524 3.502 10 0 GHAEMN C[C@H](Sc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000105678344 841755323 /nfs/dbraw/zinc/75/53/23/841755323.db2.gz VEGCBTQWSGRKOV-GOEBONIOSA-N 0 1 376.472 3.836 10 0 GHAEMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162988611 842938868 /nfs/dbraw/zinc/93/88/68/842938868.db2.gz OKRGZQJIYGFYPN-ZWDAVXSWSA-N 0 1 391.515 3.642 10 0 GHAEMN Cc1cccnc1/C=C\C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000588487709 845593346 /nfs/dbraw/zinc/59/33/46/845593346.db2.gz HOMWGTWBGKKMHN-LPADLIQXSA-N 0 1 377.410 3.841 10 0 GHAEMN Cc1nc([C@@H](NC(=O)c2cc(C)ccc2Br)c2ccccc2)n[nH]1 ZINC000151998001 846102754 /nfs/dbraw/zinc/10/27/54/846102754.db2.gz QRNIGLQIMDQAJV-INIZCTEOSA-N 0 1 385.265 3.703 10 0 GHAEMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000051056370 854688384 /nfs/dbraw/zinc/68/83/84/854688384.db2.gz TTXMGMCCQQDQOA-HUUCEWRRSA-N 0 1 380.916 3.723 10 0 GHAEMN CCc1nc([C@H]2CN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CCO2)n[nH]1 ZINC000173093125 860796010 /nfs/dbraw/zinc/79/60/10/860796010.db2.gz HWMIXBPXMXRQJF-LJQANCHMSA-N 0 1 396.491 3.688 10 0 GHAEMN CN1CCN([C@@H]2CCCCN(C(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000173277078 882344416 /nfs/dbraw/zinc/34/44/16/882344416.db2.gz JPTFXLZAFCJSRH-OAHLLOKOSA-N 0 1 391.968 3.797 10 0 GHAEMN O=C(Nc1ccc(F)cc1)C1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000101917014 872363257 /nfs/dbraw/zinc/36/32/57/872363257.db2.gz RZHWGKQCOWCKMH-IBGZPJMESA-N 0 1 376.859 3.863 10 0 GHAEMN COc1ccc([C@H](C)CC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000176606269 882718856 /nfs/dbraw/zinc/71/88/56/882718856.db2.gz KUBDCAQRAHKUJS-HMFYCAOWSA-N 0 1 381.520 3.611 10 0 GHAEMN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179839157 883032164 /nfs/dbraw/zinc/03/21/64/883032164.db2.gz OFCRQKSAGIFAIA-CQSZACIVSA-N 0 1 388.399 3.942 10 0 GHAEMN Cc1cccc2c(CCC(=O)N[C@H]3CCN(Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000121189555 876581483 /nfs/dbraw/zinc/58/14/83/876581483.db2.gz WHFBVTBNBWITEM-AVRDEDQJSA-N 0 1 390.531 3.831 10 0 GHAEMN Cc1nnc([C@H](NC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c2ccccc2)[nH]1 ZINC000180614061 883085306 /nfs/dbraw/zinc/08/53/06/883085306.db2.gz GOVIJTKQPSJLDY-XVLXNVKGSA-N 0 1 397.523 3.723 10 0 GHAEMN Cc1nc([C@@H](NC(=O)CCCC(=O)c2ccc(C)cc2)c2ccccc2)n[nH]1 ZINC000186153057 883615507 /nfs/dbraw/zinc/61/55/07/883615507.db2.gz DDQMQQYGWCDXMN-NRFANRHFSA-N 0 1 376.460 3.680 10 0 GHAEMN CN1Cc2cc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)ccc2NC1=O ZINC000186664279 883684282 /nfs/dbraw/zinc/68/42/82/883684282.db2.gz HXGVTXIUQVBRCH-GOSISDBHSA-N 0 1 397.479 3.606 10 0 GHAEMN CCCOCc1ccccc1CNC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000105155854 886013240 /nfs/dbraw/zinc/01/32/40/886013240.db2.gz BLBHYCOBQCYLFD-HXUWFJFHSA-N 0 1 393.491 3.629 10 0 GHAEMN COc1ccccc1C/C(C)=C/C(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000106769156 886037104 /nfs/dbraw/zinc/03/71/04/886037104.db2.gz LROOLGQDAXAMRU-IBUXMESJSA-N 0 1 376.460 3.516 10 0 GHAEMN COc1ccccc1C[C@H](C)CC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000107245687 886045407 /nfs/dbraw/zinc/04/54/07/886045407.db2.gz FRBBJCVKLBXLSB-YCRPNKLZSA-N 0 1 378.476 3.596 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000116568347 886365521 /nfs/dbraw/zinc/36/55/21/886365521.db2.gz TYYUVRXYUCDNIH-JTSKRJEESA-N 0 1 396.510 3.805 10 0 GHAEMN Cc1nc([C@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2)n[nH]1 ZINC000132028678 887601317 /nfs/dbraw/zinc/60/13/17/887601317.db2.gz IFMXNRZGPPBRPN-OAHLLOKOSA-N 0 1 376.247 3.522 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H]1CCCc2sccc21 ZINC000135252346 888225402 /nfs/dbraw/zinc/22/54/02/888225402.db2.gz LIGBRNQNOVMAGP-AYOQOUSVSA-N 0 1 384.549 3.730 10 0 GHAEMN CC(C)COc1ccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000056406651 888360595 /nfs/dbraw/zinc/36/05/95/888360595.db2.gz BOSXVVAINNQSKC-UHFFFAOYSA-N 0 1 396.535 3.580 10 0 GHAEMN O=C(c1ccccc1)N1CCC(CN[C@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000195040924 888639299 /nfs/dbraw/zinc/63/92/99/888639299.db2.gz BWZGFRTVVLZWKI-LJQANCHMSA-N 0 1 380.517 3.703 10 0 GHAEMN C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000245442541 888738220 /nfs/dbraw/zinc/73/82/20/888738220.db2.gz ICMBJGSUTYPOIY-XQBPLPMBSA-N 0 1 381.520 3.513 10 0 GHAEMN C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000245442541 888738229 /nfs/dbraw/zinc/73/82/29/888738229.db2.gz ICMBJGSUTYPOIY-XQBPLPMBSA-N 0 1 381.520 3.513 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000245549616 888907288 /nfs/dbraw/zinc/90/72/88/888907288.db2.gz OHPVEVCRMFELDM-STZQEDGTSA-N 0 1 395.547 3.965 10 0 GHAEMN CN1CC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)[C@H]1c1ccccc1 ZINC000245809945 889767239 /nfs/dbraw/zinc/76/72/39/889767239.db2.gz CGSSNQQXUZKRED-TZIWHRDSSA-N 0 1 397.906 3.642 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000246814729 891311295 /nfs/dbraw/zinc/31/12/95/891311295.db2.gz BRUJFLMWIXTKIV-OXQOHEQNSA-N 0 1 386.927 3.787 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000247062745 891340315 /nfs/dbraw/zinc/34/03/15/891340315.db2.gz BOYLCARURLZAIA-KBXCAEBGSA-N 0 1 377.410 3.741 10 0 GHAEMN C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247086960 891343462 /nfs/dbraw/zinc/34/34/62/891343462.db2.gz DMGBTGDRCFULJL-JTDSTZFVSA-N 0 1 387.911 3.529 10 0 GHAEMN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000247567811 891386507 /nfs/dbraw/zinc/38/65/07/891386507.db2.gz WBSVZMGZXMQEDM-DYESRHJHSA-N 0 1 382.508 3.901 10 0 GHAEMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc2ccccc2o1 ZINC000248327728 891418735 /nfs/dbraw/zinc/41/87/35/891418735.db2.gz CNIVDKKWUOYOSR-FUHIMQAGSA-N 0 1 377.488 3.958 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H]1CCCc2sccc21 ZINC000248719132 891461553 /nfs/dbraw/zinc/46/15/53/891461553.db2.gz LIGBRNQNOVMAGP-ATZDWAIDSA-N 0 1 384.549 3.730 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc2ccn(C)c21 ZINC000249054036 891490671 /nfs/dbraw/zinc/49/06/71/891490671.db2.gz OPXFLKUNBHTVBO-QFBILLFUSA-N 0 1 377.492 3.605 10 0 GHAEMN CN1CC[C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249106988 891495704 /nfs/dbraw/zinc/49/57/04/891495704.db2.gz PRVSZMGBZXOPKS-AHRSYUTCSA-N 0 1 399.901 3.969 10 0 GHAEMN CCCN(Cc1ncc([C@H](C)O)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000366041432 921293159 /nfs/dbraw/zinc/29/31/59/921293159.db2.gz SJUKGHUKSHWZOZ-INIZCTEOSA-N 0 1 387.549 3.713 10 0 GHAEMN Cc1ccc(CCC(=O)N2CCCC[C@H]2c2nnc[nH]2)c(Br)c1 ZINC000185877429 907846006 /nfs/dbraw/zinc/84/60/06/907846006.db2.gz SKSXFEMXUGHOTB-HNNXBMFYSA-N 0 1 377.286 3.562 10 0 GHAEMN Cc1ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c(-c2nc(C3CC3)no2)c1 ZINC000186346547 907911876 /nfs/dbraw/zinc/91/18/76/907911876.db2.gz DUOBTJCDEQCSQB-INIZCTEOSA-N 0 1 393.451 3.800 10 0 GHAEMN CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1Br ZINC000189483567 908330545 /nfs/dbraw/zinc/33/05/45/908330545.db2.gz WWDJSMFSRBXMID-CYBMUJFWSA-N 0 1 394.273 3.725 10 0 GHAEMN O=C(c1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676045 560094702 /nfs/dbraw/zinc/09/47/02/560094702.db2.gz RULBNALKJMWOBD-SFHVURJKSA-N 0 1 389.390 3.539 10 0 biogenic GHAEMN Cc1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc(Cl)c1Br ZINC000329628425 835457379 /nfs/dbraw/zinc/45/73/79/835457379.db2.gz VVQAZBISWKWBOW-AAEUAGOBSA-N 0 1 398.688 3.997 10 0 GHAEMN Cc1cc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc(Cl)c1Br ZINC000329628425 835457383 /nfs/dbraw/zinc/45/73/83/835457383.db2.gz VVQAZBISWKWBOW-AAEUAGOBSA-N 0 1 398.688 3.997 10 0 GHAEMN Cc1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)C2)n[nH]1 ZINC000407978564 838364782 /nfs/dbraw/zinc/36/47/82/838364782.db2.gz ZZMYMUABJKDPDL-SNVBAGLBSA-N 0 1 392.283 3.732 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000407980792 838378066 /nfs/dbraw/zinc/37/80/66/838378066.db2.gz NGNDJFXGGORZKK-CYBMUJFWSA-N 0 1 383.677 3.896 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cc(C)c(Br)cc2C)n[nH]1 ZINC000407981911 838387350 /nfs/dbraw/zinc/38/73/50/838387350.db2.gz VZJMSXXTERVXNK-OAHLLOKOSA-N 0 1 377.286 3.860 10 0 GHAEMN COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3cncc(C)c3)CCN2C2CC2)c1 ZINC000588396716 840517752 /nfs/dbraw/zinc/51/77/52/840517752.db2.gz WURAEBIWBPFBEF-LROONQARSA-N 0 1 377.488 3.506 10 0 GHAEMN Cc1cccnc1/C=C\C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000588455492 843356662 /nfs/dbraw/zinc/35/66/62/843356662.db2.gz PIVMTZGLPQSHGF-CNZFZVQHSA-N 0 1 389.421 3.813 10 0 GHAEMN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000246876067 844940354 /nfs/dbraw/zinc/94/03/54/844940354.db2.gz SVTGMCIWISDCTC-MCIONIFRSA-N 0 1 380.370 3.561 10 0 GHAEMN CC(C)c1nn(C)c2sc(-c3nc([C@H]4CN5CCC[C@@]5(C)CO4)no3)cc12 ZINC000329569983 861674586 /nfs/dbraw/zinc/67/45/86/861674586.db2.gz INWBRVCDVJLJMH-YJYMSZOUSA-N 0 1 387.509 3.734 10 0 GHAEMN Cn1cnc(-c2cccc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)c2)n1 ZINC000180868203 862380373 /nfs/dbraw/zinc/38/03/73/862380373.db2.gz IDKWRJJEAJIWLR-UHFFFAOYSA-N 0 1 378.823 3.778 10 0 GHAEMN COc1ccc([C@H](C)NCC(=O)Nc2ccccc2OC)cc1Br ZINC000102697596 860821058 /nfs/dbraw/zinc/82/10/58/860821058.db2.gz IRMVLOSUVBABIU-LBPRGKRZSA-N 0 1 393.281 3.756 10 0 GHAEMN COc1cccc(-c2nsc(NC(=O)c3cc(-c4cccnc4)on3)n2)c1 ZINC000102910879 860898884 /nfs/dbraw/zinc/89/88/84/860898884.db2.gz FDIAFNKEMWMRQB-UHFFFAOYSA-N 0 1 379.401 3.516 10 0 GHAEMN CN(C)[C@@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)c1cccc(F)c1 ZINC000103298745 863945049 /nfs/dbraw/zinc/94/50/49/863945049.db2.gz AHNNNVRYGLSQOW-FCHUYYIVSA-N 0 1 392.478 3.912 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2scnc2c1 ZINC000172152564 882173244 /nfs/dbraw/zinc/17/32/44/882173244.db2.gz ROFXSLMBHJANKZ-YOEHRIQHSA-N 0 1 381.505 3.723 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000172172569 882175040 /nfs/dbraw/zinc/17/50/40/882175040.db2.gz OYLHMVAYAPQXNU-WTNAPCKOSA-N 0 1 378.520 3.743 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000172492270 882289824 /nfs/dbraw/zinc/28/98/24/882289824.db2.gz MDKCLDUMKGCCJS-PXNSSMCTSA-N 0 1 376.504 3.553 10 0 GHAEMN COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000105001574 870608504 /nfs/dbraw/zinc/60/85/04/870608504.db2.gz VARQKXQXWWWWEJ-GOSISDBHSA-N 0 1 396.491 3.893 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176373339 882684444 /nfs/dbraw/zinc/68/44/44/882684444.db2.gz OMTTVXBAAWSJES-NZSAHSFTSA-N 0 1 399.564 3.685 10 0 GHAEMN Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116244924 873365948 /nfs/dbraw/zinc/36/59/48/873365948.db2.gz UEMXPXONPQWRJZ-WMLDXEAASA-N 0 1 396.516 3.747 10 0 GHAEMN Cc1nn(-c2ccccc2)cc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000121029262 876453047 /nfs/dbraw/zinc/45/30/47/876453047.db2.gz ZQRXOWWNQVAHEX-UHFFFAOYSA-N 0 1 380.536 3.795 10 0 GHAEMN CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000180858827 883103135 /nfs/dbraw/zinc/10/31/35/883103135.db2.gz JYDWFPIXUUNTHB-JXFKEZNVSA-N 0 1 383.540 3.588 10 0 GHAEMN CC(=O)N(c1nc(CN2CCCC[C@@H]2c2nnc[nH]2)cs1)c1ccccc1 ZINC000182719729 883232548 /nfs/dbraw/zinc/23/25/48/883232548.db2.gz VZUIENTVTCZLCU-QGZVFWFLSA-N 0 1 382.493 3.673 10 0 GHAEMN CC[C@@H](c1nnc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)s1)c1ccccc1 ZINC000185131120 883423214 /nfs/dbraw/zinc/42/32/14/883423214.db2.gz PQFHPYWTKSNPKM-HUUCEWRRSA-N 0 1 397.508 3.957 10 0 GHAEMN CC[C@H](c1nnc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)s1)c1ccccc1 ZINC000185131134 883423378 /nfs/dbraw/zinc/42/33/78/883423378.db2.gz PQFHPYWTKSNPKM-GJZGRUSLSA-N 0 1 397.508 3.957 10 0 GHAEMN CC(=O)N1CC[C@@H](NCc2cnn(-c3ccccc3)c2)c2ccc(F)cc2C1 ZINC000185365277 883442768 /nfs/dbraw/zinc/44/27/68/883442768.db2.gz QRWKKVXEWFUCKE-JOCHJYFZSA-N 0 1 378.451 3.595 10 0 GHAEMN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370113630 884153011 /nfs/dbraw/zinc/15/30/11/884153011.db2.gz RULCMRHPSBGEJK-RISCZKNCSA-N 0 1 377.901 3.584 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000116250864 886358638 /nfs/dbraw/zinc/35/86/38/886358638.db2.gz NXOJTDPWPDRQHE-APWZRJJASA-N 0 1 395.551 3.551 10 0 GHAEMN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000332927587 886561428 /nfs/dbraw/zinc/56/14/28/886561428.db2.gz MHDRSAIRAXJORG-DFGXFYAUSA-N 0 1 383.496 3.522 10 0 GHAEMN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000332927587 886561437 /nfs/dbraw/zinc/56/14/37/886561437.db2.gz MHDRSAIRAXJORG-DFGXFYAUSA-N 0 1 383.496 3.522 10 0 GHAEMN C[C@H](NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1cccc(C(F)(F)F)c1 ZINC000125819319 886903214 /nfs/dbraw/zinc/90/32/14/886903214.db2.gz SATSRKRIQHPYFR-CABCVRRESA-N 0 1 399.457 3.661 10 0 GHAEMN COc1ccccc1CCN(C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000105077277 887453633 /nfs/dbraw/zinc/45/36/33/887453633.db2.gz HORBWUOZKVVPOK-IBGZPJMESA-N 0 1 385.508 3.699 10 0 GHAEMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000134414781 887873185 /nfs/dbraw/zinc/87/31/85/887873185.db2.gz FUOWJVHKKFUMAL-UHFFFAOYSA-N 0 1 386.521 3.507 10 0 GHAEMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CN(C)C3)c1 ZINC000194513987 888609751 /nfs/dbraw/zinc/60/97/51/888609751.db2.gz NRYBRPBPIXNMMU-INIZCTEOSA-N 0 1 394.519 3.553 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245472019 888769002 /nfs/dbraw/zinc/76/90/02/888769002.db2.gz OMTTVXBAAWSJES-NEWSRXKRSA-N 0 1 399.564 3.685 10 0 GHAEMN Cc1cccnc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665447 889188711 /nfs/dbraw/zinc/18/87/11/889188711.db2.gz GVOIRBZRLAKODR-KXBFYZLASA-N 0 1 390.890 3.675 10 0 GHAEMN CN(Cc1cscn1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245713430 889399674 /nfs/dbraw/zinc/39/96/74/889399674.db2.gz PQRHJQCGDOJTDB-CXAGYDPISA-N 0 1 396.919 3.770 10 0 GHAEMN CCCOc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246759853 891304274 /nfs/dbraw/zinc/30/42/74/891304274.db2.gz HQXWIPGXBQQRJD-AUSIDOKSSA-N 0 1 395.547 3.830 10 0 GHAEMN CCCOc1ccc(CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000246759853 891304293 /nfs/dbraw/zinc/30/42/93/891304293.db2.gz HQXWIPGXBQQRJD-AUSIDOKSSA-N 0 1 395.547 3.830 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc2ncsc2c1 ZINC000246945989 891324720 /nfs/dbraw/zinc/32/47/20/891324720.db2.gz JAQQXQHSIBWCCX-RHSMWYFYSA-N 0 1 381.505 3.723 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccccc1Cl ZINC000247221609 891356238 /nfs/dbraw/zinc/35/62/38/891356238.db2.gz NCQLVQUOIPOGRI-MAUKXSAKSA-N 0 1 389.952 3.854 10 0 GHAEMN Cc1cccc(OCCCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000247329842 891368762 /nfs/dbraw/zinc/36/87/62/891368762.db2.gz YBXZGXJAVXHZIC-DENIHFKCSA-N 0 1 381.520 3.576 10 0 GHAEMN C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1cc2ccccc2o1 ZINC000247545906 891382887 /nfs/dbraw/zinc/38/28/87/891382887.db2.gz RQPYYHOBMPVYDN-OXJNMPFZSA-N 0 1 378.476 3.538 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCc1cc2ccccc2o1 ZINC000247545906 891382903 /nfs/dbraw/zinc/38/29/03/891382903.db2.gz RQPYYHOBMPVYDN-OXJNMPFZSA-N 0 1 378.476 3.538 10 0 GHAEMN CCc1nc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000247546894 891383798 /nfs/dbraw/zinc/38/37/98/891383798.db2.gz RSBVWMZHLXIPEX-QAPCUYQASA-N 0 1 393.491 3.817 10 0 GHAEMN CCc1nc2cc(NC(=O)N[C@H]3CCN(Cc4ccccn4)C[C@H]3C)ccc2o1 ZINC000247546894 891383816 /nfs/dbraw/zinc/38/38/16/891383816.db2.gz RSBVWMZHLXIPEX-QAPCUYQASA-N 0 1 393.491 3.817 10 0 GHAEMN CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247578694 891388330 /nfs/dbraw/zinc/38/83/30/891388330.db2.gz YASZXYPXXCIGOR-DENIHFKCSA-N 0 1 380.536 3.912 10 0 GHAEMN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)[C@H]1c1ccccc1 ZINC000247914418 891398489 /nfs/dbraw/zinc/39/84/89/891398489.db2.gz AUGROKNRAQVBQE-DZGCQCFKSA-N 0 1 383.801 3.929 10 0 GHAEMN CN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)[C@H]1c1ccccc1 ZINC000247914418 891398506 /nfs/dbraw/zinc/39/85/06/891398506.db2.gz AUGROKNRAQVBQE-DZGCQCFKSA-N 0 1 383.801 3.929 10 0 GHAEMN COc1cccc(N2CC[C@H](CN[C@@H](c3ncc[nH]3)c3ccc(F)cc3)C2)c1 ZINC000249183702 891501316 /nfs/dbraw/zinc/50/13/16/891501316.db2.gz JQMDPOAMXIDMDP-IIBYNOLFSA-N 0 1 380.467 3.763 10 0 GHAEMN O=C(Nc1ccc(Br)cc1Cl)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181271113 906959402 /nfs/dbraw/zinc/95/94/02/906959402.db2.gz KIQLKJUNKHMCTG-GFCCVEGCSA-N 0 1 384.665 3.980 10 0 GHAEMN COc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181273623 906959689 /nfs/dbraw/zinc/95/96/89/906959689.db2.gz PIYLPHGXIHEHRX-LBPRGKRZSA-N 0 1 394.273 3.643 10 0 GHAEMN CC(=O)N(c1nc(CN2CCCC[C@@H]2c2nnc[nH]2)cs1)c1ccc(C)cc1 ZINC000182709242 907254174 /nfs/dbraw/zinc/25/41/74/907254174.db2.gz BDFCCFUCPWIYQX-GOSISDBHSA-N 0 1 396.520 3.981 10 0 GHAEMN CN(C)c1ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c(C(F)(F)F)c1 ZINC000183067966 907320855 /nfs/dbraw/zinc/32/08/55/907320855.db2.gz IODVXKLLWITFOQ-AWEZNQCLSA-N 0 1 382.390 3.649 10 0 GHAEMN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183072826 907322919 /nfs/dbraw/zinc/32/29/19/907322919.db2.gz PHFPESHGVJRWGF-GOSISDBHSA-N 0 1 396.495 3.580 10 0 GHAEMN Cc1cc(C)n(-c2ccc(NC(=O)N3CCCC[C@@H]3c3nnc[nH]3)cc2F)n1 ZINC000184326393 907561815 /nfs/dbraw/zinc/56/18/15/907561815.db2.gz KNQSPZSERQUPOU-QGZVFWFLSA-N 0 1 383.431 3.505 10 0 GHAEMN O=C(NC1CCCCC1)c1ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000184577614 907611989 /nfs/dbraw/zinc/61/19/89/907611989.db2.gz PRRSTDFTGMZDHZ-SFHVURJKSA-N 0 1 396.495 3.626 10 0 GHAEMN Cc1nc([C@H](N[C@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)n[nH]1 ZINC000162492527 843265354 /nfs/dbraw/zinc/26/53/54/843265354.db2.gz HYOZPKIDGCAXOA-AUUYWEPGSA-N 0 1 377.448 3.510 10 0 GHAEMN COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ncccc3C)CCN2C2CC2)c1 ZINC000588455918 843360165 /nfs/dbraw/zinc/36/01/65/843360165.db2.gz DNTVWVLAOPZTAF-ZLVHQKRJSA-N 0 1 377.488 3.506 10 0 GHAEMN C[C@]12CCCN1C[C@@H](c1noc(-c3cccc(F)c3Br)n1)OC2 ZINC000328825818 854552518 /nfs/dbraw/zinc/55/25/18/854552518.db2.gz HRWJOULCXRDBMR-BLLLJJGKSA-N 0 1 382.233 3.564 10 0 GHAEMN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000328985894 854641514 /nfs/dbraw/zinc/64/15/14/854641514.db2.gz UANZDYJZYATEKG-BTJLNZGRSA-N 0 1 378.398 3.538 10 0 GHAEMN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000328985894 854641519 /nfs/dbraw/zinc/64/15/19/854641519.db2.gz UANZDYJZYATEKG-BTJLNZGRSA-N 0 1 378.398 3.538 10 0 GHAEMN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCN(C)CC23CCCCC3)c1 ZINC000159172765 859612713 /nfs/dbraw/zinc/61/27/13/859612713.db2.gz OOXZSHAIFUYGJE-UHFFFAOYSA-N 0 1 392.931 3.524 10 0 GHAEMN CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H](c3nccs3)C2)CC1 ZINC000114777588 870173631 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CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000180010658 883044826 /nfs/dbraw/zinc/04/48/26/883044826.db2.gz XLSGAXQNVOBHNA-LIRRHRJNSA-N 0 1 397.544 3.819 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)CCO1 ZINC000180569825 883081734 /nfs/dbraw/zinc/08/17/34/883081734.db2.gz LYFGAVRMXLMREF-LJQANCHMSA-N 0 1 380.532 3.874 10 0 GHAEMN CO[C@@H]1CC[C@H]2OCCN(Cc3sc(N(C)C)nc3-c3ccccc3)[C@H]2C1 ZINC000180817571 883101472 /nfs/dbraw/zinc/10/14/72/883101472.db2.gz SDDBXQPVAWVZIO-FGTMMUONSA-N 0 1 387.549 3.644 10 0 GHAEMN CC(C)n1ncc2cc(CN3CCC(Cc4nccn4C)CC3)c(Cl)nc21 ZINC000121762300 877716046 /nfs/dbraw/zinc/71/60/46/877716046.db2.gz SGTPQGFFOBOKNI-UHFFFAOYSA-N 0 1 386.931 3.854 10 0 GHAEMN COc1ccc(C(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1-c1ccccn1 ZINC000122202371 878554665 /nfs/dbraw/zinc/55/46/65/878554665.db2.gz DWEXTSMVODZNJH-OAQYLSRUSA-N 0 1 399.454 3.703 10 0 GHAEMN Cc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183070345 883259191 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O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000047217484 870460713 /nfs/dbraw/zinc/46/07/13/870460713.db2.gz HTKPVAROJXKMHM-SJORKVTESA-N 0 1 390.281 3.623 10 0 GHAEMN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCN2CCCC[C@H]2C1 ZINC000105013989 870608183 /nfs/dbraw/zinc/60/81/83/870608183.db2.gz XUJRGQMSFHRPLB-ZDUSSCGKSA-N 0 1 376.407 3.538 10 0 GHAEMN CCC(CC)c1cc(CNC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)on1 ZINC000175902132 882613460 /nfs/dbraw/zinc/61/34/60/882613460.db2.gz UQSUWJZOWKETOQ-SFHVURJKSA-N 0 1 382.468 3.594 10 0 GHAEMN CCOc1ccc2cc(C(=O)N[C@H]3CCN(Cc4ccccn4)C[C@@H]3C)[nH]c2c1 ZINC000116252216 873372293 /nfs/dbraw/zinc/37/22/93/873372293.db2.gz YMURWZUGDHSWSG-JXFKEZNVSA-N 0 1 392.503 3.602 10 0 GHAEMN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179361246 882964799 /nfs/dbraw/zinc/96/47/99/882964799.db2.gz GSIOBTSUQSQYQW-LBPRGKRZSA-N 0 1 385.518 3.887 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)[nH]c21 ZINC000122997085 879772389 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GHAEMN C[C@@H]1CN(C2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000184175809 883326741 /nfs/dbraw/zinc/32/67/41/883326741.db2.gz AGHKSWVTKLYQHL-MRXNPFEDSA-N 0 1 398.469 3.740 10 0 GHAEMN CC[C@H](c1nnc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)s1)c1ccccc1 ZINC000185131101 883423187 /nfs/dbraw/zinc/42/31/87/883423187.db2.gz PQFHPYWTKSNPKM-LSDHHAIUSA-N 0 1 397.508 3.957 10 0 GHAEMN C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000102609402 883875955 /nfs/dbraw/zinc/87/59/55/883875955.db2.gz ODQCVYCKHKWTHF-INIZCTEOSA-N 0 1 399.485 3.626 10 0 GHAEMN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000105986001 884940685 /nfs/dbraw/zinc/94/06/85/884940685.db2.gz BDYUKDWSFWXBCJ-LJQANCHMSA-N 0 1 394.450 3.955 10 0 GHAEMN O[C@H](CN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1Cl ZINC000102520626 885971941 /nfs/dbraw/zinc/97/19/41/885971941.db2.gz VWDVDPCTICAXKK-GOSISDBHSA-N 0 1 384.867 3.698 10 0 GHAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000106426118 886032363 /nfs/dbraw/zinc/03/23/63/886032363.db2.gz GAJOJSQEMIXHNV-FQEVSTJZSA-N 0 1 377.488 3.707 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)CCO1 ZINC000124379978 886739193 /nfs/dbraw/zinc/73/91/93/886739193.db2.gz LROHQRSJCCBKIN-OAHLLOKOSA-N 0 1 399.457 3.899 10 0 GHAEMN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628309 886799306 /nfs/dbraw/zinc/79/93/06/886799306.db2.gz ZHAHFEXWEFLCLJ-UXHICEINSA-N 0 1 399.579 3.675 10 0 GHAEMN C[C@H](O)CC(C)(C)CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245655912 889173486 /nfs/dbraw/zinc/17/34/86/889173486.db2.gz DMNXBIGSEMPFSN-JOQOYGCGSA-N 0 1 399.938 3.568 10 0 GHAEMN C[C@H](O)CC(C)(C)CNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245655912 889173499 /nfs/dbraw/zinc/17/34/99/889173499.db2.gz DMNXBIGSEMPFSN-JOQOYGCGSA-N 0 1 399.938 3.568 10 0 GHAEMN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)c1 ZINC000069293897 891197920 /nfs/dbraw/zinc/19/79/20/891197920.db2.gz AJDSPMZQAJTVFV-KRWDZBQOSA-N 0 1 398.854 3.636 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)COc1cccc2ccccc21 ZINC000247060883 891339159 /nfs/dbraw/zinc/33/91/59/891339159.db2.gz PDGODOJHFXTMMO-XMSQKQJNSA-N 0 1 389.499 3.640 10 0 GHAEMN COc1cccc([C@H](C)CC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000246930682 891346681 /nfs/dbraw/zinc/34/66/81/891346681.db2.gz MOLPOBXGEPOBDS-JBYIUTFZSA-N 0 1 381.520 3.611 10 0 GHAEMN COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1OC(C)C ZINC000247240903 891357771 /nfs/dbraw/zinc/35/77/71/891357771.db2.gz OQQTVWRVQSSDDV-YLJYHZDGSA-N 0 1 397.519 3.518 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000247255430 891359297 /nfs/dbraw/zinc/35/92/97/891359297.db2.gz PWOORFOUMOKISS-AUUYWEPGSA-N 0 1 392.330 3.958 10 0 GHAEMN CCCNc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000248835976 891473243 /nfs/dbraw/zinc/47/32/43/891473243.db2.gz DBPPYIYHPJIIET-XMSQKQJNSA-N 0 1 395.551 3.613 10 0 GHAEMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000262175419 892238220 /nfs/dbraw/zinc/23/82/20/892238220.db2.gz PNCPEGIHTKNNFP-SCLBCKFNSA-N 0 1 391.265 3.791 10 0 GHAEMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179352800 906480422 /nfs/dbraw/zinc/48/04/22/906480422.db2.gz XJPCZKFLOPAHIU-SFHVURJKSA-N 0 1 398.898 3.557 10 0 GHAEMN C[C@H](CC(=O)N1CCCC[C@@H]1c1nnc[nH]1)c1ccc(Br)cc1 ZINC000181384722 906987285 /nfs/dbraw/zinc/98/72/85/906987285.db2.gz BDGATQDRXZHYRQ-IUODEOHRSA-N 0 1 377.286 3.815 10 0 GHAEMN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183064475 907319193 /nfs/dbraw/zinc/31/91/93/907319193.db2.gz AYELTWBGEVYREV-CQSZACIVSA-N 0 1 382.390 3.649 10 0 GHAEMN Cc1cc(C)n(-c2ccc(NC(=O)N3CCCC[C@H]3c3nnc[nH]3)cc2F)n1 ZINC000184326411 907561938 /nfs/dbraw/zinc/56/19/38/907561938.db2.gz KNQSPZSERQUPOU-KRWDZBQOSA-N 0 1 383.431 3.505 10 0 GHAEMN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000186351152 907911782 /nfs/dbraw/zinc/91/17/82/907911782.db2.gz FBTXRLSSEBNSNI-KRWDZBQOSA-N 0 1 396.426 3.677 10 0 GHAEMN O=C(CC(F)(F)F)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000014968855 210136993 /nfs/dbraw/zinc/13/69/93/210136993.db2.gz QEDYBZWGLKWQGL-CQSZACIVSA-N 0 1 390.396 3.978 10 0 GHAEMN COc1cc(CNCc2ccccn2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731509 210086299 /nfs/dbraw/zinc/08/62/99/210086299.db2.gz VUBKQBXUUSCBBL-UHFFFAOYSA-N 0 1 391.471 3.706 10 0 GHAEMN COc1ccc(CN(Cc2ccco2)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000036095734 570534915 /nfs/dbraw/zinc/53/49/15/570534915.db2.gz GANATPNSASYWJI-FQEVSTJZSA-N 0 1 381.472 3.903 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)c3cc(Oc4ccccc4)ccc3O)CC2)CCO1 ZINC000157418502 834912107 /nfs/dbraw/zinc/91/21/07/834912107.db2.gz XJRKOUHHABWFTL-QGZVFWFLSA-N 0 1 396.487 3.510 10 0 GHAEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000329613651 835390959 /nfs/dbraw/zinc/39/09/59/835390959.db2.gz CTVIUHSWDSUGBN-IERDGZPVSA-N 0 1 395.478 3.777 10 0 GHAEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000329651166 835529255 /nfs/dbraw/zinc/52/92/55/835529255.db2.gz KTNWRPIAIZFZMY-WBVHZDCISA-N 0 1 394.475 3.501 10 0 GHAEMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000247779500 835801760 /nfs/dbraw/zinc/80/17/60/835801760.db2.gz RNKLRUYAVVYXFJ-UZLBHIALSA-N 0 1 377.492 3.749 10 0 GHAEMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000328756504 840405222 /nfs/dbraw/zinc/40/52/22/840405222.db2.gz UGDLVQMTQNLMFW-SIXLDLHFSA-N 0 1 381.476 3.843 10 0 GHAEMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000328756504 840405230 /nfs/dbraw/zinc/40/52/30/840405230.db2.gz UGDLVQMTQNLMFW-SIXLDLHFSA-N 0 1 381.476 3.843 10 0 GHAEMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000328756504 840405237 /nfs/dbraw/zinc/40/52/37/840405237.db2.gz UGDLVQMTQNLMFW-SIXLDLHFSA-N 0 1 381.476 3.843 10 0 GHAEMN C[C@H]1CC[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000179072288 861465152 /nfs/dbraw/zinc/46/51/52/861465152.db2.gz BGVHPVZODSGBEJ-JTSKRJEESA-N 0 1 378.520 3.984 10 0 GHAEMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000247812478 845035767 /nfs/dbraw/zinc/03/57/67/845035767.db2.gz VGRKGXPIWFYTRV-CGVQKBNFSA-N 0 1 384.568 3.647 10 0 GHAEMN CC(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1C ZINC000119689854 846243947 /nfs/dbraw/zinc/24/39/47/846243947.db2.gz UHCWERBEYLOKAG-KKSFZXQISA-N 0 1 380.492 3.625 10 0 GHAEMN CC(C)c1nn(C)c2sc(-c3nc([C@@H]4CN5CCC[C@]5(C)CO4)no3)cc12 ZINC000329569981 861675270 /nfs/dbraw/zinc/67/52/70/861675270.db2.gz INWBRVCDVJLJMH-ORAYPTAESA-N 0 1 387.509 3.734 10 0 GHAEMN C[C@]12CCCN1C[C@@H](c1noc(-c3cc(Br)ccc3F)n1)OC2 ZINC000329695955 862100898 /nfs/dbraw/zinc/10/08/98/862100898.db2.gz XRGREAPYHVYXAS-XJKSGUPXSA-N 0 1 382.233 3.564 10 0 GHAEMN COc1ccccc1CCN(C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000104709517 864553833 /nfs/dbraw/zinc/55/38/33/864553833.db2.gz PXCGXHAZZZJABU-AWEZNQCLSA-N 0 1 391.309 3.959 10 0 GHAEMN Cc1ccc([C@H](NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)c2cccs2)cc1 ZINC000248165954 864837802 /nfs/dbraw/zinc/83/78/02/864837802.db2.gz SXRWBNSEVLBXRQ-VJBMBRPKSA-N 0 1 398.572 3.889 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175525175 882593521 /nfs/dbraw/zinc/59/35/21/882593521.db2.gz YJMITQKPJKBUNY-UTKZUKDTSA-N 0 1 392.503 3.880 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000175525295 882594355 /nfs/dbraw/zinc/59/43/55/882594355.db2.gz GRZQOHRVFXAFOC-KAGYGMCKSA-N 0 1 395.551 3.567 10 0 GHAEMN COc1cc(CN2CC[C@H](Oc3cccnc3)C2)ccc1OCc1ccncc1 ZINC000093690746 882598407 /nfs/dbraw/zinc/59/84/07/882598407.db2.gz ZASXNZCLECQZSA-NRFANRHFSA-N 0 1 391.471 3.718 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000116244541 873365731 /nfs/dbraw/zinc/36/57/31/873365731.db2.gz CKVZLAARVQCCEV-VGSWGCGISA-N 0 1 379.504 3.511 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000116251021 873369497 /nfs/dbraw/zinc/36/94/97/873369497.db2.gz APQJCUXXIPQCLE-UZLBHIALSA-N 0 1 383.923 3.793 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000116568011 873567573 /nfs/dbraw/zinc/56/75/73/873567573.db2.gz WLHPLKYXKAINBX-GCJKJVERSA-N 0 1 378.520 3.666 10 0 GHAEMN C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)CCO1 ZINC000177117533 882762680 /nfs/dbraw/zinc/76/26/80/882762680.db2.gz SKDPZTDLAYHRLP-CQSZACIVSA-N 0 1 388.895 3.524 10 0 GHAEMN Cc1nc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)c2ccccc2)n[nH]1 ZINC000177309836 882819551 /nfs/dbraw/zinc/81/95/51/882819551.db2.gz LTKPYECAIDXFQC-LJQANCHMSA-N 0 1 375.432 3.543 10 0 GHAEMN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179361259 882964410 /nfs/dbraw/zinc/96/44/10/882964410.db2.gz GSIOBTSUQSQYQW-GFCCVEGCSA-N 0 1 385.518 3.887 10 0 GHAEMN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1NC(=O)C(C)(C)C ZINC000185335068 883438009 /nfs/dbraw/zinc/43/80/09/883438009.db2.gz GFCNIABOAYHREC-MRXNPFEDSA-N 0 1 384.484 3.857 10 0 GHAEMN O[C@@H]1c2ccccc2C[C@H]1N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186195825 883619076 /nfs/dbraw/zinc/61/90/76/883619076.db2.gz JPJGTTWNXXTURH-HSALFYBXSA-N 0 1 396.288 3.576 10 0 GHAEMN COc1cc(NC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)ccc1OC(C)C ZINC000186232083 883623002 /nfs/dbraw/zinc/62/30/02/883623002.db2.gz XKKWFXPZWBOHBF-IBGZPJMESA-N 0 1 395.463 3.820 10 0 GHAEMN CN1CC[C@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000186304240 883630955 /nfs/dbraw/zinc/63/09/55/883630955.db2.gz LZSPTCAKLRXDSX-HBFSDRIKSA-N 0 1 390.936 3.594 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CC4(CCOCC4)c4ccccc43)[nH]c21 ZINC000189799179 883996911 /nfs/dbraw/zinc/99/69/11/883996911.db2.gz AUHAIUUPVZMXLT-UHFFFAOYSA-N 0 1 375.472 3.899 10 0 GHAEMN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000105986003 884941177 /nfs/dbraw/zinc/94/11/77/884941177.db2.gz BDYUKDWSFWXBCJ-IBGZPJMESA-N 0 1 394.450 3.955 10 0 GHAEMN O=C(NCc1nc(CN[C@H]2CCCC[C@@H]2n2cccn2)cs1)c1ccccc1 ZINC000129110322 887261394 /nfs/dbraw/zinc/26/13/94/887261394.db2.gz YOFPHKIDGCBREL-OALUTQOASA-N 0 1 395.532 3.543 10 0 GHAEMN O=C([C@H]1CCCc2[nH]ncc21)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134350591 887862883 /nfs/dbraw/zinc/86/28/83/887862883.db2.gz DQMIQFQDLWPVHC-SJORKVTESA-N 0 1 375.476 3.626 10 0 GHAEMN CN1CC[C@H](CNC(=O)CSc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735886 889566602 /nfs/dbraw/zinc/56/66/02/889566602.db2.gz USHSVEIKRNEIOK-AUUYWEPGSA-N 0 1 393.915 3.775 10 0 GHAEMN CN(C(=O)c1csc([C@H]2CCCO2)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245864762 889884230 /nfs/dbraw/zinc/88/42/30/889884230.db2.gz FDELHGZTJPJDLF-PKOBYXMFSA-N 0 1 385.533 3.731 10 0 GHAEMN CCC(=O)c1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000246265608 890889175 /nfs/dbraw/zinc/88/91/75/890889175.db2.gz LRBSLESKAAODEQ-OXQOHEQNSA-N 0 1 380.492 3.706 10 0 GHAEMN Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246371650 891081060 /nfs/dbraw/zinc/08/10/60/891081060.db2.gz SCGQBGQZEUQXQA-WIYYLYMNSA-N 0 1 395.551 3.797 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000246806704 891309416 /nfs/dbraw/zinc/30/94/16/891309416.db2.gz RGTSJHHQNZSIGR-OXQOHEQNSA-N 0 1 384.499 3.666 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000246858408 891317669 /nfs/dbraw/zinc/31/76/69/891317669.db2.gz DUQOHMHMQFINIS-OXQOHEQNSA-N 0 1 386.927 3.787 10 0 GHAEMN C[C@@H](N[C@H]1CCCOc2ccccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246897178 891322484 /nfs/dbraw/zinc/32/24/84/891322484.db2.gz FCHPIFVCWMXXIQ-UZLBHIALSA-N 0 1 386.517 3.791 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1nc2ccccc2s1 ZINC000246974765 891326914 /nfs/dbraw/zinc/32/69/14/891326914.db2.gz KLDDFRJUZPVHMK-GOEBONIOSA-N 0 1 381.505 3.723 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000247125209 891346410 /nfs/dbraw/zinc/34/64/10/891346410.db2.gz GRRQFZXPMRECME-NKHMXISVSA-N 0 1 392.528 3.731 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000247137941 891348060 /nfs/dbraw/zinc/34/80/60/891348060.db2.gz HPNQAPFSDCGBMV-PVSGBFIBSA-N 0 1 393.531 3.576 10 0 GHAEMN Cc1ccc([C@@H]2CCCCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000247211146 891354943 /nfs/dbraw/zinc/35/49/43/891354943.db2.gz WZDYZATXKIWXOO-RBUKOAKNSA-N 0 1 377.506 3.642 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000247255446 891359980 /nfs/dbraw/zinc/35/99/80/891359980.db2.gz PWOORFOUMOKISS-IFXJQAMLSA-N 0 1 392.330 3.958 10 0 GHAEMN Cc1nc2c(Cl)cccc2c(N2CCC(N3CCCS3(=O)=O)CC2)c1C ZINC000334131993 902578125 /nfs/dbraw/zinc/57/81/25/902578125.db2.gz VBNVRAXUSLFCCS-UHFFFAOYSA-N 0 1 393.940 3.509 10 0 GHAEMN O=C(Nc1cccc(COCc2ccco2)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183071762 907322413 /nfs/dbraw/zinc/32/24/13/907322413.db2.gz WEXJGPMJGOPENQ-SFHVURJKSA-N 0 1 381.436 3.874 10 0 GHAEMN CC(C)c1noc(-c2ccc(NC(=O)N3CCCC[C@H]3c3nnc[nH]3)cc2)n1 ZINC000183078716 907324473 /nfs/dbraw/zinc/32/44/73/907324473.db2.gz ZJKSBGGULDMPJA-HNNXBMFYSA-N 0 1 381.440 3.737 10 0 GHAEMN O=C(Nc1ccc(Cl)cc1Br)N1CCCC[C@H]1c1nnc[nH]1 ZINC000186758110 907980583 /nfs/dbraw/zinc/98/05/83/907980583.db2.gz KVYNMPTZXHJVHX-LBPRGKRZSA-N 0 1 384.665 3.980 10 0 GHAEMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(OC)cc1 ZINC000015920591 210180195 /nfs/dbraw/zinc/18/01/95/210180195.db2.gz DQYNCKBSGKRVOV-NRFANRHFSA-N 0 1 377.444 3.667 10 0 GHAEMN Cc1nc(CN2CCC3(C[C@@H](CC(=O)N(C)C)c4ccccc43)CC2)cs1 ZINC000096079472 211301305 /nfs/dbraw/zinc/30/13/05/211301305.db2.gz KRHDZJCSTYDOPD-QGZVFWFLSA-N 0 1 383.561 3.951 10 0 GHAEMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](CC(=O)Nc1sc3c(c1C(=O)[O-])CCC3)C2 ZINC000020342496 210329076 /nfs/dbraw/zinc/32/90/76/210329076.db2.gz CFXXCEDZUGUGKD-MPBGBICISA-N 0 1 376.522 3.774 10 0 GHAEMN CN1CCN(CCCN2c3ccccc3[S@](=O)c3ccc(Cl)cc32)CC1 ZINC000021981330 570300784 /nfs/dbraw/zinc/30/07/84/570300784.db2.gz AZGYHFQQUZPAFZ-AREMUKBSSA-N 0 1 389.952 3.596 10 0 in-vitro GHAEMN Brc1ccc2oc(-c3nc([C@H]4CN5CCC[C@H]5CO4)no3)cc2c1 ZINC000329592597 835314836 /nfs/dbraw/zinc/31/48/36/835314836.db2.gz BZUMTRFTOSKKFU-SWLSCSKDSA-N 0 1 390.237 3.781 10 0 GHAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000329626315 835462537 /nfs/dbraw/zinc/46/25/37/835462537.db2.gz GQSZYOBQJGAVEO-CRAIPNDOSA-N 0 1 383.517 3.699 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)n[nH]1 ZINC000407978772 838365363 /nfs/dbraw/zinc/36/53/63/838365363.db2.gz GLCIWRHAVXFYSR-CYBMUJFWSA-N 0 1 383.677 3.896 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)n[nH]1 ZINC000407979507 838369212 /nfs/dbraw/zinc/36/92/12/838369212.db2.gz AYTCNEVLWAUGBY-CYBMUJFWSA-N 0 1 383.677 3.896 10 0 GHAEMN CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCC[C@@H](c4nc[nH]n4)C3)sc2C1 ZINC000408426170 844329751 /nfs/dbraw/zinc/32/97/51/844329751.db2.gz RDMISXCBAHUBGJ-OLZOCXBDSA-N 0 1 388.541 3.824 10 0 GHAEMN O=C(c1cccc2c[nH]nc21)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330074575 839190164 /nfs/dbraw/zinc/19/01/64/839190164.db2.gz LGPAFOCCEZDAGF-UZUQRXQVSA-N 0 1 399.454 3.807 10 0 GHAEMN Cc1nc(CN2CCCN(c3ccnc4cc(C(F)(F)F)ccc43)CC2)no1 ZINC000124754390 854657258 /nfs/dbraw/zinc/65/72/58/854657258.db2.gz MUYOXISJXUPVJG-UHFFFAOYSA-N 0 1 391.397 3.657 10 0 GHAEMN COc1ccccc1CCN(C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000104709272 856373420 /nfs/dbraw/zinc/37/34/20/856373420.db2.gz XCTCGCRKJZEMMW-INIZCTEOSA-N 0 1 397.544 3.826 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000172168002 882174736 /nfs/dbraw/zinc/17/47/36/882174736.db2.gz AUWAXKJHGUOKHU-PHRRHICISA-N 0 1 382.552 3.560 10 0 GHAEMN CCn1cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000172306047 882198366 /nfs/dbraw/zinc/19/83/66/882198366.db2.gz YBPBDXBFKZJNRJ-UWJYYQICSA-N 0 1 376.504 3.697 10 0 GHAEMN OCCn1nccc1C1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000092811422 882440112 /nfs/dbraw/zinc/44/01/12/882440112.db2.gz PHWLIPKWHOCVSN-UHFFFAOYSA-N 0 1 385.842 3.510 10 0 GHAEMN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1 ZINC000102319994 872899099 /nfs/dbraw/zinc/89/90/99/872899099.db2.gz AEVYBLZGIPBOPR-UHFFFAOYSA-N 0 1 395.484 3.708 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000116477381 873513635 /nfs/dbraw/zinc/51/36/35/873513635.db2.gz LUVKURUITHQFFM-ZBFHGGJFSA-N 0 1 390.434 3.715 10 0 GHAEMN CCOc1ccc(OC)cc1NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116499091 873519695 /nfs/dbraw/zinc/51/96/95/873519695.db2.gz FZOUOLCMAKUOLD-QFBILLFUSA-N 0 1 398.507 3.521 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccccc3)[nH]c21 ZINC000177655857 882840956 /nfs/dbraw/zinc/84/09/56/882840956.db2.gz HTZNMDPDGONBGW-UYAOXDASSA-N 0 1 377.488 3.919 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)CCO1 ZINC000178556712 882903620 /nfs/dbraw/zinc/90/36/20/882903620.db2.gz CHRWIMBQNGNOJR-HNNXBMFYSA-N 0 1 384.442 3.507 10 0 GHAEMN COc1ccc2ccccc2c1-c1cc(CN2CCC(n3cncn3)CC2)on1 ZINC000181043134 883118489 /nfs/dbraw/zinc/11/84/89/883118489.db2.gz VTKQTPILMUTMKL-UHFFFAOYSA-N 0 1 389.459 3.932 10 0 GHAEMN C[C@@H](NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccncc1 ZINC000181588861 883165377 /nfs/dbraw/zinc/16/53/77/883165377.db2.gz DRXDAJMDDLHCJE-ZHRRBRCNSA-N 0 1 377.513 3.968 10 0 GHAEMN Cc1cc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)n1 ZINC000181809266 883185241 /nfs/dbraw/zinc/18/52/41/883185241.db2.gz SBSPBTAQTNJVHP-UHFFFAOYSA-N 0 1 375.875 3.885 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000185449631 883457899 /nfs/dbraw/zinc/45/78/99/883457899.db2.gz IGSAVGBHCPRSNV-AVRDEDQJSA-N 0 1 390.531 3.549 10 0 GHAEMN C[C@@H]1CC(CNC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)C[C@@H](C)O1 ZINC000332920855 886560709 /nfs/dbraw/zinc/56/07/09/886560709.db2.gz BIHVUYIPYLYFDO-GPMSIDNRSA-N 0 1 397.523 3.564 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000124876919 886807243 /nfs/dbraw/zinc/80/72/43/886807243.db2.gz IPNNPLQZYIFKTG-UGSOOPFHSA-N 0 1 395.400 3.880 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)CCO1 ZINC000125991207 886921751 /nfs/dbraw/zinc/92/17/51/886921751.db2.gz NYLBKPYNGFVNPC-HNNXBMFYSA-N 0 1 399.457 3.899 10 0 GHAEMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(Cl)cc1F ZINC000130830565 887477997 /nfs/dbraw/zinc/47/79/97/887477997.db2.gz BINQEWFKDIPYDY-LIRRHRJNSA-N 0 1 375.875 3.823 10 0 GHAEMN Cc1ccc(-c2nc(CC(=O)N[C@@H](c3n[nH]c(C)n3)c3ccccc3)cs2)o1 ZINC000057796635 888413725 /nfs/dbraw/zinc/41/37/25/888413725.db2.gz DSYDNTXZLVECLS-GOSISDBHSA-N 0 1 393.472 3.586 10 0 GHAEMN Fc1ccc(-c2noc(CCCN[C@H](c3cccs3)c3ncc[nH]3)n2)cc1 ZINC000195115437 888648141 /nfs/dbraw/zinc/64/81/41/888648141.db2.gz HTLYOFIWJYAKFW-QGZVFWFLSA-N 0 1 383.452 3.972 10 0 GHAEMN C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000245549544 888907237 /nfs/dbraw/zinc/90/72/37/888907237.db2.gz OGIDVFXYSYFPNQ-LZJOCLMNSA-N 0 1 385.939 3.940 10 0 GHAEMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245623868 889084377 /nfs/dbraw/zinc/08/43/77/889084377.db2.gz OKRGZQJIYGFYPN-WVBUVRCRSA-N 0 1 391.515 3.642 10 0 GHAEMN Brc1ccc(CN2CCS[C@H]3COCC[C@H]32)c2ncccc12 ZINC000245973579 890112242 /nfs/dbraw/zinc/11/22/42/890112242.db2.gz OHWRNZFPMGLIKM-CVEARBPZSA-N 0 1 379.323 3.704 10 0 GHAEMN COc1ccc(CCCCCC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000067154350 891144088 /nfs/dbraw/zinc/14/40/88/891144088.db2.gz WYVHEAUWFCGFPI-LJQANCHMSA-N 0 1 388.552 3.510 10 0 GHAEMN COc1ccc(CCCCCC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000067154350 891144096 /nfs/dbraw/zinc/14/40/96/891144096.db2.gz WYVHEAUWFCGFPI-LJQANCHMSA-N 0 1 388.552 3.510 10 0 GHAEMN COc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000247033387 891335006 /nfs/dbraw/zinc/33/50/06/891335006.db2.gz NRFFCIORBFUGFZ-KBXCAEBGSA-N 0 1 388.899 3.776 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000247053350 891337376 /nfs/dbraw/zinc/33/73/76/891337376.db2.gz OQPAVFYWRWHLGB-DUXKGJEZSA-N 0 1 394.519 3.505 10 0 GHAEMN CCOc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000247040868 891337986 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GHAEMN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181172775 906931957 /nfs/dbraw/zinc/93/19/57/906931957.db2.gz SVTGMCIWISDCTC-BFHYXJOUSA-N 0 1 380.370 3.561 10 0 GHAEMN O=C(Nc1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)s1)Nc1ccccc1 ZINC000181180207 906934195 /nfs/dbraw/zinc/93/41/95/906934195.db2.gz KVWRZXSOBUPDCA-CQSZACIVSA-N 0 1 396.476 3.878 10 0 GHAEMN COCCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(F)cc1 ZINC000015920771 210180164 /nfs/dbraw/zinc/18/01/64/210180164.db2.gz XGGBUOQIMWBEOT-NRFANRHFSA-N 0 1 395.434 3.806 10 0 GHAEMN COc1cccc(N(C(C)=O)C2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1 ZINC000037570655 571032704 /nfs/dbraw/zinc/03/27/04/571032704.db2.gz CTPRZGRHONZCAQ-UHFFFAOYSA-N 0 1 398.503 3.730 10 0 GHAEMN CC(C)c1cc(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)c2cnn(C(C)C)c2n1 ZINC000408184456 841980687 /nfs/dbraw/zinc/98/06/87/841980687.db2.gz YBORBHRJJNPUIK-SJORKVTESA-N 0 1 383.540 3.834 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000152322428 846684437 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882515522 /nfs/dbraw/zinc/51/55/22/882515522.db2.gz RPVAKIHJTJMSBD-JXFKEZNVSA-N 0 1 399.539 3.683 10 0 GHAEMN CCC(CC)c1cc(CNC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)on1 ZINC000175020217 882515529 /nfs/dbraw/zinc/51/55/29/882515529.db2.gz RPVAKIHJTJMSBD-JXFKEZNVSA-N 0 1 399.539 3.683 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC(C(=O)c4ccccc4)CC3)[nH]c21 ZINC000175204869 882557883 /nfs/dbraw/zinc/55/78/83/882557883.db2.gz WSNQJUZCHNQCRK-UHFFFAOYSA-N 0 1 375.472 3.925 10 0 GHAEMN O=C(CSc1n[nH]c(=S)s1)N1CCC(Nc2ccccc2F)CC1 ZINC000176447119 882693282 /nfs/dbraw/zinc/69/32/82/882693282.db2.gz PRRUIJIANWCFPS-UHFFFAOYSA-N 0 1 384.527 3.535 10 0 GHAEMN CCn1cc(CC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000116248507 873367905 /nfs/dbraw/zinc/36/79/05/873367905.db2.gz KTLXRVYGIZWOGI-PGRDOPGGSA-N 0 1 390.531 3.626 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000116245864 873367944 /nfs/dbraw/zinc/36/79/44/873367944.db2.gz HHHTWJHSCJCNDQ-QRWLVFNGSA-N 0 1 394.906 3.924 10 0 GHAEMN 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10 0 GHAEMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181166308 906930351 /nfs/dbraw/zinc/93/03/51/906930351.db2.gz AQXOULLOSPYUEA-HNNXBMFYSA-N 0 1 385.468 3.667 10 0 GHAEMN O=C(Nc1ccc(Br)c(Cl)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183318522 907366482 /nfs/dbraw/zinc/36/64/82/907366482.db2.gz QLHGZRDTFDPSGR-GFCCVEGCSA-N 0 1 384.665 3.980 10 0 GHAEMN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000184798703 907659556 /nfs/dbraw/zinc/65/95/56/907659556.db2.gz ZETJLXWHSDFERF-OAHLLOKOSA-N 0 1 391.859 3.782 10 0 GHAEMN Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c1-c1nnc(C2CC2)o1 ZINC000096379652 211338170 /nfs/dbraw/zinc/33/81/70/211338170.db2.gz QFYNVNILLMKBAV-UHFFFAOYSA-N 0 1 390.440 3.807 10 0 GHAEMN Cc1cccc(C)c1OC[C@H](C)Nc1nc(-c2ccncc2)nc2c1CNC2 ZINC000072159262 211078821 /nfs/dbraw/zinc/07/88/21/211078821.db2.gz LDLRBZNCFNYKBN-INIZCTEOSA-N 0 1 375.476 3.638 10 0 GHAEMN COc1ccc([C@@H](C)n2c(=O)c3cc(Cl)ccc3[nH]c2=S)cc1OC ZINC000073659554 525169357 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CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)c1 ZINC000408226524 843341045 /nfs/dbraw/zinc/34/10/45/843341045.db2.gz QBHUXQRUDAANET-GDBMZVCRSA-N 0 1 377.916 3.633 10 0 GHAEMN O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@@H]1CCCc2cn[nH]c21 ZINC000332962374 844914641 /nfs/dbraw/zinc/91/46/41/844914641.db2.gz MTNAXOZKZHSSBT-LSDHHAIUSA-N 0 1 375.270 3.536 10 0 GHAEMN CSc1ccc(O[C@@H](C)C(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000151571305 845251587 /nfs/dbraw/zinc/25/15/87/845251587.db2.gz RDMRFOPRLVNJIE-SCLBCKFNSA-N 0 1 382.489 3.508 10 0 GHAEMN CC(C)c1ccc(Cn2nccc2NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000157884039 846237116 /nfs/dbraw/zinc/23/71/16/846237116.db2.gz ZUSBWDKWINZTHM-GOSISDBHSA-N 0 1 393.495 3.932 10 0 GHAEMN COc1ccc([C@H](NCc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000102693295 860818562 /nfs/dbraw/zinc/81/85/62/860818562.db2.gz NRMYKNGGMYFSPF-LJQANCHMSA-N 0 1 383.517 3.969 10 0 GHAEMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000172350548 882185482 /nfs/dbraw/zinc/18/54/82/882185482.db2.gz GZVDVWVWGKAETK-HOTGVXAUSA-N 0 1 398.469 3.596 10 0 GHAEMN CN1CCN([C@@H]2CCCCN(C(=O)c3sccc3-c3ccccc3)C2)CC1 ZINC000173284154 882345531 /nfs/dbraw/zinc/34/55/31/882345531.db2.gz HUKGJSCXRBVEIO-LJQANCHMSA-N 0 1 383.561 3.657 10 0 GHAEMN CSCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1F ZINC000174244110 882439144 /nfs/dbraw/zinc/43/91/44/882439144.db2.gz OOTPFCFHOAUKRL-YWZLYKJASA-N 0 1 387.524 3.724 10 0 GHAEMN CSCc1cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1F ZINC000174244110 882439148 /nfs/dbraw/zinc/43/91/48/882439148.db2.gz OOTPFCFHOAUKRL-YWZLYKJASA-N 0 1 387.524 3.724 10 0 GHAEMN C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000175016312 882515159 /nfs/dbraw/zinc/51/51/59/882515159.db2.gz YRARUINNQHFOGB-QKLQHJQFSA-N 0 1 386.565 3.532 10 0 GHAEMN O=C(CSc1n[nH]c(=S)s1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000175110428 882525257 /nfs/dbraw/zinc/52/52/57/882525257.db2.gz WMKFFOWAHCYTRY-UHFFFAOYSA-N 0 1 384.527 3.535 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC(N(C)c4ccccc4)CC3)[nH]c21 ZINC000175747472 882621331 /nfs/dbraw/zinc/62/13/31/882621331.db2.gz CUNWLFFEGJBJOB-UHFFFAOYSA-N 0 1 376.504 3.931 10 0 GHAEMN COc1cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1OC(C)C ZINC000116245333 873366048 /nfs/dbraw/zinc/36/60/48/873366048.db2.gz OQQTVWRVQSSDDV-XLIONFOSSA-N 0 1 397.519 3.518 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000116475844 873513706 /nfs/dbraw/zinc/51/37/06/873513706.db2.gz CTMSMDUKGRDGJB-DYVFJYSZSA-N 0 1 376.863 3.906 10 0 GHAEMN O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CC=C(c2cccs2)CC1 ZINC000117989713 874287727 /nfs/dbraw/zinc/28/77/27/874287727.db2.gz ZCLZNEQKSTUYSG-OAQYLSRUSA-N 0 1 382.529 3.562 10 0 GHAEMN Clc1ccc2c(c1Cl)OCCC[C@@H]2NCc1cccnc1-n1cncn1 ZINC000178051651 882861374 /nfs/dbraw/zinc/86/13/74/882861374.db2.gz QXMQQMBFJLMEEL-HNNXBMFYSA-N 0 1 390.274 3.973 10 0 GHAEMN Cc1nc([C@H](NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2)n[nH]1 ZINC000180242811 883070147 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Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000185634115 883568523 /nfs/dbraw/zinc/56/85/23/883568523.db2.gz FHKIYCITNQAUCZ-GUYCJALGSA-N 0 1 394.441 3.827 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)CCCCCc3ccc(F)cc3)CC2)CCO1 ZINC000189372585 883941353 /nfs/dbraw/zinc/94/13/53/883941353.db2.gz QRVKNELVDFFNAA-SFHVURJKSA-N 0 1 376.516 3.640 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000116478613 886363286 /nfs/dbraw/zinc/36/32/86/886363286.db2.gz XBYOYBLFSBZFNR-GUYCJALGSA-N 0 1 376.863 3.906 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(Cl)c1F ZINC000116478225 886364145 /nfs/dbraw/zinc/36/41/45/886364145.db2.gz DNBPGSRCMVXHBQ-CJNGLKHVSA-N 0 1 376.863 3.906 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)CCO1 ZINC000124414037 886746739 /nfs/dbraw/zinc/74/67/39/886746739.db2.gz KIRMHMCUBUMKHN-OAHLLOKOSA-N 0 1 386.521 3.527 10 0 GHAEMN COC[C@@H](NC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(Cl)cc1 ZINC000194648444 888602229 /nfs/dbraw/zinc/60/22/29/888602229.db2.gz FFOBUKHIYBZJEQ-QZTJIDSGSA-N 0 1 399.882 3.543 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000245472018 888768234 /nfs/dbraw/zinc/76/82/34/888768234.db2.gz OMTTVXBAAWSJES-BHIYHBOVSA-N 0 1 399.564 3.685 10 0 GHAEMN C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000245549540 888907606 /nfs/dbraw/zinc/90/76/06/888907606.db2.gz OGIDVFXYSYFPNQ-LLGFUMIMSA-N 0 1 385.939 3.940 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000245861803 889878968 /nfs/dbraw/zinc/87/89/68/889878968.db2.gz CGUUHHAUIDSNQK-CRAIPNDOSA-N 0 1 398.473 3.666 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000246000698 890158906 /nfs/dbraw/zinc/15/89/06/890158906.db2.gz IPNNPLQZYIFKTG-SCLBCKFNSA-N 0 1 395.400 3.880 10 0 GHAEMN CSCCc1ccc(NC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000069325276 891197494 /nfs/dbraw/zinc/19/74/94/891197494.db2.gz DYQBERSMCGPJLS-GOSISDBHSA-N 0 1 381.505 3.930 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000246815012 891310334 /nfs/dbraw/zinc/31/03/34/891310334.db2.gz BSHDQBMYFYTEFS-HNAYVOBHSA-N 0 1 394.906 3.924 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000247178350 891351427 /nfs/dbraw/zinc/35/14/27/891351427.db2.gz YWZDSIWQPSICRQ-YVEFUNNKSA-N 0 1 378.398 3.531 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000247309941 891365767 /nfs/dbraw/zinc/36/57/67/891365767.db2.gz VVEBXVJECJZLPL-LAUBAEHRSA-N 0 1 381.495 3.669 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000248463042 891438532 /nfs/dbraw/zinc/43/85/32/891438532.db2.gz ACEPYIJQKZOKKT-XMSQKQJNSA-N 0 1 395.522 3.960 10 0 GHAEMN CSCCCCCCNC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248483616 891439897 /nfs/dbraw/zinc/43/98/97/891439897.db2.gz JOHOJISWFMIWEE-IEBWSBKVSA-N 0 1 378.586 3.515 10 0 GHAEMN O=C(CCSc1ccc(Br)cc1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181375151 906984222 /nfs/dbraw/zinc/98/42/22/906984222.db2.gz DKSWULLWSFRORJ-AWEZNQCLSA-N 0 1 395.326 3.803 10 0 GHAEMN COc1cc(C)c(Br)cc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000184596873 907617361 /nfs/dbraw/zinc/61/73/61/907617361.db2.gz KYISPPOUTJERQL-CYBMUJFWSA-N 0 1 394.273 3.643 10 0 GHAEMN O=C([O-])CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000692510813 976517476 /nfs/dbraw/zinc/51/74/76/976517476.db2.gz ZDTVRLBBLUIESS-UHFFFAOYSA-N 0 1 381.259 3.909 10 0 GHAEMN C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1n1[n-]c(-c2ccccc2)c(Cc2ccccc2)c1=O ZINC000255970474 209222598 /nfs/dbraw/zinc/22/25/98/209222598.db2.gz DWQLEFWPQKQLLI-RPHTVSPISA-N 0 1 375.516 3.821 10 0 GHAEMN C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1n1[n-]c(-c2ccccc2)c(Cc2ccccc2)c1=O ZINC000255970474 209222602 /nfs/dbraw/zinc/22/26/02/209222602.db2.gz DWQLEFWPQKQLLI-RPHTVSPISA-N 0 1 375.516 3.821 10 0 GHAEMN Cc1ccc([C@@](C(=O)c2ccccc2)([C@H](C)CN2CCOCC2)N(C)C)cc1 ZINC000096346637 211336911 /nfs/dbraw/zinc/33/69/11/211336911.db2.gz QYAQXEYNEKWMSN-HYBUGGRVSA-N 0 1 380.532 3.603 10 0 GHAEMN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1cnc(Cl)nc1Cl ZINC000095086530 211219080 /nfs/dbraw/zinc/21/90/80/211219080.db2.gz QJASWWWUXRMTAT-GFCCVEGCSA-N 0 1 375.300 3.663 10 0 GHAEMN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCC[C@H](c4nc[nH]n4)C3)sc2C1 ZINC000408426171 844330454 /nfs/dbraw/zinc/33/04/54/844330454.db2.gz RDMISXCBAHUBGJ-QWHCGFSZSA-N 0 1 388.541 3.824 10 0 GHAEMN COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3cncc(C)c3)CCN2C2CC2)c1 ZINC000588396715 840517586 /nfs/dbraw/zinc/51/75/86/840517586.db2.gz WURAEBIWBPFBEF-BDVPDHEMSA-N 0 1 377.488 3.506 10 0 GHAEMN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000332910070 844623855 /nfs/dbraw/zinc/62/38/55/844623855.db2.gz QPCPWOQSJFJYAC-RRFJBIMHSA-N 0 1 399.461 3.940 10 0 GHAEMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C\c2ncccc2C)CC1 ZINC000588452536 843309908 /nfs/dbraw/zinc/30/99/08/843309908.db2.gz PDVFTSDMTRWVFE-IZTUGPKFSA-N 0 1 396.510 3.562 10 0 GHAEMN CSc1ccc(O[C@@H](C)C(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000151571384 845252129 /nfs/dbraw/zinc/25/21/29/845252129.db2.gz RDMRFOPRLVNJIE-UGSOOPFHSA-N 0 1 382.489 3.508 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000155229520 849483134 /nfs/dbraw/zinc/48/31/34/849483134.db2.gz UGLBBBFFDMPCFJ-AVRDEDQJSA-N 0 1 390.531 3.533 10 0 GHAEMN COc1ccc([C@H](C)NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1F ZINC000101621460 851743027 /nfs/dbraw/zinc/74/30/27/851743027.db2.gz NUKUMOCWUFYVNQ-MAUKXSAKSA-N 0 1 389.471 3.933 10 0 GHAEMN CCc1noc([C@@H](C)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1 ZINC000330183126 862643335 /nfs/dbraw/zinc/64/33/35/862643335.db2.gz POLCOHVJGNFORL-IUSZMWJPSA-N 0 1 379.464 3.797 10 0 GHAEMN CN1CCN(c2cc(C(=O)N(C3CC3)[C@H]3CCCc4ccccc43)ccn2)CC1 ZINC000104051919 864165621 /nfs/dbraw/zinc/16/56/21/864165621.db2.gz YCGIRYQYQIFSPS-QFIPXVFZSA-N 0 1 390.531 3.516 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)CCO1 ZINC000173252751 882345056 /nfs/dbraw/zinc/34/50/56/882345056.db2.gz NUMJLGCPNNOJHS-OAHLLOKOSA-N 0 1 397.494 3.577 10 0 GHAEMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCO[C@H]2CCCC[C@@H]21 ZINC000065107913 870644533 /nfs/dbraw/zinc/64/45/33/870644533.db2.gz WRHCSMGKDSDVQK-KBPBESRZSA-N 0 1 390.281 3.623 10 0 GHAEMN CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000175016844 882515226 /nfs/dbraw/zinc/51/52/26/882515226.db2.gz MUUDSDDULFLKCT-WWPVKYPJSA-N 0 1 394.563 3.955 10 0 GHAEMN C[C@H](C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000175550987 882596026 /nfs/dbraw/zinc/59/60/26/882596026.db2.gz INTCBQWUMMZVTI-CVDCTZTESA-N 0 1 379.548 3.572 10 0 GHAEMN NC(=O)c1ccc(C=CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 ZINC000175967027 882652538 /nfs/dbraw/zinc/65/25/38/882652538.db2.gz KHSBZCHMWILIFG-NWMLYGLHSA-N 0 1 396.450 3.581 10 0 GHAEMN CCOc1ccc(OC)cc1NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116499095 873519803 /nfs/dbraw/zinc/51/98/03/873519803.db2.gz FZOUOLCMAKUOLD-LPHOPBHVSA-N 0 1 398.507 3.521 10 0 GHAEMN Cc1cccc2c(CCC(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000121189397 876580873 /nfs/dbraw/zinc/58/08/73/876580873.db2.gz WHFBVTBNBWITEM-PGRDOPGGSA-N 0 1 390.531 3.831 10 0 GHAEMN Cc1cc(NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)ccc1C(F)(F)F ZINC000180526155 883078783 /nfs/dbraw/zinc/07/87/83/883078783.db2.gz FIAOMKYXQXCMSG-KRWDZBQOSA-N 0 1 398.473 3.648 10 0 GHAEMN CC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000180858738 883103463 /nfs/dbraw/zinc/10/34/63/883103463.db2.gz JKTILJNYJOKNES-BULFRSBZSA-N 0 1 381.520 3.611 10 0 GHAEMN Cc1nc(-c2cccc(NC(=O)N3CCC(N4CCO[C@@H](C)C4)CC3)c2)oc1C ZINC000098028529 883203367 /nfs/dbraw/zinc/20/33/67/883203367.db2.gz WGNIELFPQIIQIF-HNNXBMFYSA-N 0 1 398.507 3.675 10 0 GHAEMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000182536782 883225337 /nfs/dbraw/zinc/22/53/37/883225337.db2.gz FZNHGLJLSWSTLR-AOMKIAJQSA-N 0 1 395.503 3.668 10 0 GHAEMN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183905239 883309036 /nfs/dbraw/zinc/30/90/36/883309036.db2.gz CLXVJYDESFUKFM-LJQANCHMSA-N 0 1 387.447 3.903 10 0 GHAEMN Cc1nc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(-c2ccccc2)o1 ZINC000184896718 883390813 /nfs/dbraw/zinc/39/08/13/883390813.db2.gz DOUUJNJUXMDZKO-JXFKEZNVSA-N 0 1 390.487 3.685 10 0 GHAEMN CC(=O)N1CC[C@@H](NCc2c[nH]c(-c3ccccc3)n2)c2ccc(F)cc2C1 ZINC000185362407 883440779 /nfs/dbraw/zinc/44/07/79/883440779.db2.gz JSWQYCZDBCAQMO-OAQYLSRUSA-N 0 1 378.451 3.799 10 0 GHAEMN CC(=O)N1CC[C@@H](NCc2cnc(-c3ccccc3)[nH]2)c2ccc(F)cc2C1 ZINC000185362407 883440801 /nfs/dbraw/zinc/44/08/01/883440801.db2.gz JSWQYCZDBCAQMO-OAQYLSRUSA-N 0 1 378.451 3.799 10 0 GHAEMN O=S1(=O)CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000186256350 883626041 /nfs/dbraw/zinc/62/60/41/883626041.db2.gz AJQCAANMBCNADM-GOSISDBHSA-N 0 1 386.448 3.532 10 0 GHAEMN CCCNc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000192491456 884265348 /nfs/dbraw/zinc/26/53/48/884265348.db2.gz DBPPYIYHPJIIET-AVRDEDQJSA-N 0 1 395.551 3.613 10 0 GHAEMN Cc1nc([C@@H](NC(=O)N[C@@H](c2ncccc2C)C(C)C)c2ccccc2)n[nH]1 ZINC000115840888 886350852 /nfs/dbraw/zinc/35/08/52/886350852.db2.gz HPKOYKIYAAHUKT-MJGOQNOKSA-N 0 1 378.480 3.602 10 0 GHAEMN O=C1CC[C@@H]2CN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC1 ZINC000120191483 886504288 /nfs/dbraw/zinc/50/42/88/886504288.db2.gz IYPZSQXYVZCMIT-NXOUGTEYSA-N 0 1 383.319 3.502 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)CCO1 ZINC000124513664 886761645 /nfs/dbraw/zinc/76/16/45/886761645.db2.gz CXEOZAIZVKYEEX-INIZCTEOSA-N 0 1 379.504 3.655 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)Nc3ccccc3OC3CCCC3)CC2)CCO1 ZINC000124822477 886802874 /nfs/dbraw/zinc/80/28/74/886802874.db2.gz UCRJMLYXENTDKU-KRWDZBQOSA-N 0 1 387.524 3.725 10 0 GHAEMN Cc1cc(C(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C)n1CC(F)(F)F ZINC000245739265 889594326 /nfs/dbraw/zinc/59/43/26/889594326.db2.gz XAPSVTYOHRYWCW-DYVFJYSZSA-N 0 1 382.430 3.630 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CCO1 ZINC000246251671 890846059 /nfs/dbraw/zinc/84/60/59/890846059.db2.gz LTZVOGCGFSLORE-MQNAVGNWSA-N 0 1 378.516 3.655 10 0 GHAEMN Cc1csc([C@H](NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)C2CC2)n1 ZINC000246315735 890998953 /nfs/dbraw/zinc/99/89/53/890998953.db2.gz NTLWRIJAPYFAPH-MDASCCDHSA-N 0 1 399.564 3.507 10 0 GHAEMN Cc1csc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C2CC2)n1 ZINC000246315763 890998996 /nfs/dbraw/zinc/99/89/96/890998996.db2.gz NTLWRIJAPYFAPH-NIKGAXFTSA-N 0 1 399.564 3.507 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000246630052 891293516 /nfs/dbraw/zinc/29/35/16/891293516.db2.gz SSWLNQVVEKDDRC-SIKLNZKXSA-N 0 1 377.532 3.821 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000247046980 891338019 /nfs/dbraw/zinc/33/80/19/891338019.db2.gz APQJCUXXIPQCLE-OXJNMPFZSA-N 0 1 383.923 3.793 10 0 GHAEMN Cc1cnccc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249276073 891503059 /nfs/dbraw/zinc/50/30/59/891503059.db2.gz MLRKHLUWAQLWMO-LPHOPBHVSA-N 0 1 390.890 3.675 10 0 GHAEMN COc1ccc(/C=C(\C)C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1F ZINC000252952264 891793480 /nfs/dbraw/zinc/79/34/80/891793480.db2.gz NJADZAVQFZUKBF-WLVHGYOUSA-N 0 1 397.494 3.659 10 0 GHAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000253551712 891878035 /nfs/dbraw/zinc/87/80/35/891878035.db2.gz XOJJXEYWSAGPCM-MAUKXSAKSA-N 0 1 396.535 3.571 10 0 GHAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000253551712 891878052 /nfs/dbraw/zinc/87/80/52/891878052.db2.gz XOJJXEYWSAGPCM-MAUKXSAKSA-N 0 1 396.535 3.571 10 0 GHAEMN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000180176402 906706720 /nfs/dbraw/zinc/70/67/20/906706720.db2.gz RKSLAECKUYPMBY-CQSZACIVSA-N 0 1 375.404 3.574 10 0 GHAEMN CCc1c(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cnn1-c1ccccc1C ZINC000191627209 908653108 /nfs/dbraw/zinc/65/31/08/908653108.db2.gz KLRMNRLSJNTBDR-GOSISDBHSA-N 0 1 379.468 3.620 10 0 GHAEMN Cc1c(Br)ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1F ZINC000194192606 908925128 /nfs/dbraw/zinc/92/51/28/908925128.db2.gz YWNKOKQIMLWDMS-LBPRGKRZSA-N 0 1 382.237 3.774 10 0 GHAEMN Cn1cc(CN(Cc2ccccc2)C[C@@H]2CCC(=O)N2)c(-c2ccccc2F)n1 ZINC000013595880 210071403 /nfs/dbraw/zinc/07/14/03/210071403.db2.gz JJQASPVVCCNOEP-IBGZPJMESA-N 0 1 392.478 3.507 10 0 GHAEMN Cc1cccc(CN2CCN(c3nncc(-c4cc5ccccc5o4)n3)CC2)c1 ZINC000012755249 210002056 /nfs/dbraw/zinc/00/20/56/210002056.db2.gz ZOEDWFZLZBQDAT-UHFFFAOYSA-N 0 1 385.471 3.915 10 0 GHAEMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329295573 834785098 /nfs/dbraw/zinc/78/50/98/834785098.db2.gz SMFIHBKVJZLPNV-VIFPVBQESA-N 0 1 397.788 3.978 10 0 GHAEMN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC000588616895 835064715 /nfs/dbraw/zinc/06/47/15/835064715.db2.gz AFCCOOXXBXKIEF-CNGNEYMMSA-N 0 1 399.579 3.965 10 0 GHAEMN Cc1nc([C@@H](N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)n[nH]1 ZINC000162491083 843264803 /nfs/dbraw/zinc/26/48/03/843264803.db2.gz VYIUWAHYXGEYGM-XOBRGWDASA-N 0 1 390.491 3.837 10 0 GHAEMN COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ccc(O)cc3)CCN2C2CC2)c1 ZINC000588466450 843729277 /nfs/dbraw/zinc/72/92/77/843729277.db2.gz CBYNRDHQXPWQAM-CCVZUGBHSA-N 0 1 378.472 3.508 10 0 GHAEMN Cc1cccc2nc(CCC(=O)NCc3nnc(-c4ccccc4)s3)[nH]c21 ZINC000150987966 845097103 /nfs/dbraw/zinc/09/71/03/845097103.db2.gz HZNNKGYUQWTKOZ-UHFFFAOYSA-N 0 1 377.473 3.639 10 0 GHAEMN O=C(NC1CCC(C(F)(F)F)CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162959415 859862269 /nfs/dbraw/zinc/86/22/69/859862269.db2.gz RWURZGISSWGXQT-IYXRBSQSSA-N 0 1 385.434 3.692 10 0 GHAEMN COc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(SC)cc2)cc1F ZINC000102700019 860822145 /nfs/dbraw/zinc/82/21/45/860822145.db2.gz ATKTVGPZURDDAZ-CQSZACIVSA-N 0 1 376.497 3.865 10 0 GHAEMN COc1ccc([C@H](C)NCC(=O)N(C)Cc2c(F)cccc2Cl)cc1F ZINC000102699654 860822218 /nfs/dbraw/zinc/82/22/18/860822218.db2.gz LNAJMSWMUAZPIV-LBPRGKRZSA-N 0 1 382.838 3.936 10 0 GHAEMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285805 863939423 /nfs/dbraw/zinc/93/94/23/863939423.db2.gz ZWIDGHALHOPFSR-RDJZCZTQSA-N 0 1 396.922 3.824 10 0 GHAEMN CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2ccccc2O1 ZINC000163267152 882052607 /nfs/dbraw/zinc/05/26/07/882052607.db2.gz ANRKCERRSBDSKX-NVXWUHKLSA-N 0 1 395.507 3.874 10 0 GHAEMN Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000174915288 882507704 /nfs/dbraw/zinc/50/77/04/882507704.db2.gz PYFJXZFMGLROIX-AWEZNQCLSA-N 0 1 385.430 3.731 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(-c2ccsc2)n1 ZINC000116245165 873365918 /nfs/dbraw/zinc/36/59/18/873365918.db2.gz BWAVIOXDKVISQF-YOEHRIQHSA-N 0 1 398.557 3.907 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000116248166 873367802 /nfs/dbraw/zinc/36/78/02/873367802.db2.gz AZQUJJGWXIDOFI-KXBFYZLASA-N 0 1 389.952 3.854 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000116475317 873512842 /nfs/dbraw/zinc/51/28/42/873512842.db2.gz DEVNBYFIBNQMOC-WFASDCNBSA-N 0 1 378.398 3.531 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000116568534 873567355 /nfs/dbraw/zinc/56/73/55/873567355.db2.gz NHEJDSQVOZXEAW-JTSKRJEESA-N 0 1 396.510 3.805 10 0 GHAEMN CCC(CC)n1ncc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1C ZINC000121841329 877900316 /nfs/dbraw/zinc/90/03/16/877900316.db2.gz XSFFGIYOXJQMMU-HRAATJIYSA-N 0 1 383.540 3.588 10 0 GHAEMN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1NC(=O)c1ccccc1 ZINC000181187772 883154279 /nfs/dbraw/zinc/15/42/79/883154279.db2.gz CUPBEEPDXAEMKZ-LJQANCHMSA-N 0 1 389.459 3.733 10 0 GHAEMN O=C(C=Cc1ccc(Oc2cccnc2)c(F)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000182108438 883204694 /nfs/dbraw/zinc/20/46/94/883204694.db2.gz GWRMZANAECSJDH-KOEDOTQGSA-N 0 1 393.422 3.898 10 0 GHAEMN CC(C)(c1nnc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)s1)c1ccccc1 ZINC000183080536 883260909 /nfs/dbraw/zinc/26/09/09/883260909.db2.gz WAJOOLGILMMLOU-CQSZACIVSA-N 0 1 397.508 3.741 10 0 GHAEMN COc1ccc(OC)c([C@@H](C)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184523604 883352531 /nfs/dbraw/zinc/35/25/31/883352531.db2.gz YTLZZRQKYKXJDL-SZNDQCEHSA-N 0 1 386.467 3.987 10 0 GHAEMN COc1ccc([C@H](C)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(OC)c1 ZINC000184537748 883354783 /nfs/dbraw/zinc/35/47/83/883354783.db2.gz LBGSMQSNPGSXEV-QKKBWIMNSA-N 0 1 386.467 3.987 10 0 GHAEMN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184735669 883363868 /nfs/dbraw/zinc/36/38/68/883363868.db2.gz BCEAHFADAJXMSZ-INIZCTEOSA-N 0 1 395.492 3.813 10 0 GHAEMN CSCc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000184775121 883394448 /nfs/dbraw/zinc/39/44/48/883394448.db2.gz RSZRJHFCLKQLQS-LPHOPBHVSA-N 0 1 384.549 3.977 10 0 GHAEMN CC[C@@H](c1nnc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)s1)c1ccccc1 ZINC000185131155 883423485 /nfs/dbraw/zinc/42/34/85/883423485.db2.gz PQFHPYWTKSNPKM-CABCVRRESA-N 0 1 397.508 3.957 10 0 GHAEMN CC1CCN(C(=O)C2CCN(CCC(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000186686653 883688171 /nfs/dbraw/zinc/68/81/71/883688171.db2.gz AMZODXMLTUSMDT-UHFFFAOYSA-N 0 1 378.463 3.508 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N[C@H](c3cnn(C)c3)c3ccc(F)cc3)[nH]c21 ZINC000186874151 883726470 /nfs/dbraw/zinc/72/64/70/883726470.db2.gz DICLQYQFIOYGCQ-QFIPXVFZSA-N 0 1 391.450 3.582 10 0 GHAEMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)n[nH]1 ZINC000190264602 884062628 /nfs/dbraw/zinc/06/26/28/884062628.db2.gz HPOSVYJQTJGBJO-CQSZACIVSA-N 0 1 399.445 3.725 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192425563 884261143 /nfs/dbraw/zinc/26/11/43/884261143.db2.gz KEEYVIZLLIVADE-CJNGLKHVSA-N 0 1 393.413 3.528 10 0 GHAEMN Cc1nc([C@H](NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc2)n[nH]1 ZINC000105102155 886011056 /nfs/dbraw/zinc/01/10/56/886011056.db2.gz LWTSTIKKHVLHSJ-SOUVJXGZSA-N 0 1 381.402 3.623 10 0 GHAEMN CCCOCc1ccccc1CNC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000105155849 886013762 /nfs/dbraw/zinc/01/37/62/886013762.db2.gz BLBHYCOBQCYLFD-FQEVSTJZSA-N 0 1 393.491 3.629 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000116250339 886357422 /nfs/dbraw/zinc/35/74/22/886357422.db2.gz BRBVMLPYTZJIIA-MBSDFSHPSA-N 0 1 389.499 3.640 10 0 GHAEMN CC(C)Sc1ccccc1NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000126698748 886997113 /nfs/dbraw/zinc/99/71/13/886997113.db2.gz YDXNYWRAPQTFSJ-GOSISDBHSA-N 0 1 390.597 3.821 10 0 GHAEMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052816740 887889989 /nfs/dbraw/zinc/88/99/89/887889989.db2.gz AFFWVWZYKQTKBA-FQEVSTJZSA-N 0 1 399.579 3.538 10 0 GHAEMN C[C@H]1CN(C2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)CCO1 ZINC000135437508 888240923 /nfs/dbraw/zinc/24/09/23/888240923.db2.gz RWUOAAICDGRWPG-INIZCTEOSA-N 0 1 399.922 3.727 10 0 GHAEMN COc1ccc(S[C@H](C)C(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000057890850 888417471 /nfs/dbraw/zinc/41/74/71/888417471.db2.gz DCJJVPLMLBOOMH-ACJLOTCBSA-N 0 1 382.489 3.508 10 0 GHAEMN C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000245442538 888737984 /nfs/dbraw/zinc/73/79/84/888737984.db2.gz ICMBJGSUTYPOIY-DXIQSLLYSA-N 0 1 381.520 3.513 10 0 GHAEMN C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000245442538 888737997 /nfs/dbraw/zinc/73/79/97/888737997.db2.gz ICMBJGSUTYPOIY-DXIQSLLYSA-N 0 1 381.520 3.513 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000245408104 888747056 /nfs/dbraw/zinc/74/70/56/888747056.db2.gz FPUGWLVRCWSYEB-AUSIDOKSSA-N 0 1 392.547 3.712 10 0 GHAEMN CN1CC[C@H](CNC(=O)Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245650764 889165729 /nfs/dbraw/zinc/16/57/29/889165729.db2.gz CFSODTGEVZVFKG-FOIQADDNSA-N 0 1 376.859 3.536 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000245708359 889359134 /nfs/dbraw/zinc/35/91/34/889359134.db2.gz SHTZUFPJURBSJI-KZULUSFZSA-N 0 1 379.838 3.654 10 0 GHAEMN CN1CC[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)[C@H]1c1ccccc1 ZINC000245809941 889767599 /nfs/dbraw/zinc/76/75/99/889767599.db2.gz CGSSNQQXUZKRED-PZJWPPBQSA-N 0 1 397.906 3.642 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000246835466 891313235 /nfs/dbraw/zinc/31/32/35/891313235.db2.gz CTMSMDUKGRDGJB-SUMWQHHRSA-N 0 1 376.863 3.906 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000247133733 891348543 /nfs/dbraw/zinc/34/85/43/891348543.db2.gz HHHTWJHSCJCNDQ-FOIQADDNSA-N 0 1 394.906 3.924 10 0 GHAEMN C[C@H](SCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247328315 891367341 /nfs/dbraw/zinc/36/73/41/891367341.db2.gz XZZSJDOSFPEOIJ-LQWHRVPQSA-N 0 1 383.561 3.730 10 0 GHAEMN C[C@H](SCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247328315 891367352 /nfs/dbraw/zinc/36/73/52/891367352.db2.gz XZZSJDOSFPEOIJ-LQWHRVPQSA-N 0 1 383.561 3.730 10 0 GHAEMN C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000247545335 891383762 /nfs/dbraw/zinc/38/37/62/891383762.db2.gz RMIMNGOHZRDANF-OXJNMPFZSA-N 0 1 387.524 3.730 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000247545335 891383769 /nfs/dbraw/zinc/38/37/69/891383769.db2.gz RMIMNGOHZRDANF-OXJNMPFZSA-N 0 1 387.524 3.730 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000247555882 891384909 /nfs/dbraw/zinc/38/49/09/891384909.db2.gz TYYUVRXYUCDNIH-VGOFRKELSA-N 0 1 396.510 3.805 10 0 GHAEMN C[N@H+]1CC[C@H](NC(=O)CCCc2nc(-c3cccs3)no2)[C@H]1c1ccccc1 ZINC000248086561 891408970 /nfs/dbraw/zinc/40/89/70/891408970.db2.gz SXPDEAGRZHUKCJ-OXJNMPFZSA-N 0 1 396.516 3.682 10 0 GHAEMN Cc1cc(Br)c(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)s1 ZINC000333760333 902315179 /nfs/dbraw/zinc/31/51/79/902315179.db2.gz COCJUKOQGSISLU-ABAIWWIYSA-N 0 1 384.299 3.795 10 0 GHAEMN Cc1cc(Br)c(F)cc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184833986 907665708 /nfs/dbraw/zinc/66/57/08/907665708.db2.gz XNNIRYDHVIGECF-ZDUSSCGKSA-N 0 1 382.237 3.774 10 0 GHAEMN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000186351137 907912148 /nfs/dbraw/zinc/91/21/48/907912148.db2.gz FBTXRLSSEBNSNI-QGZVFWFLSA-N 0 1 396.426 3.677 10 0 GHAEMN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(F)c(CN(C)C)c2)cs1 ZINC000186713231 907972119 /nfs/dbraw/zinc/97/21/19/907972119.db2.gz NQNIOJRYNTTXGR-SFHVURJKSA-N 0 1 376.501 3.699 10 0 GHAEMN Cc1nc(CN2CCC3(C[C@H](CC(=O)N(C)C)c4ccccc43)CC2)cs1 ZINC000096079471 211300385 /nfs/dbraw/zinc/30/03/85/211300385.db2.gz KRHDZJCSTYDOPD-KRWDZBQOSA-N 0 1 383.561 3.951 10 0 GHAEMN CN1CCN(CCCN2c3ccccc3[S@@](=O)c3ccc(Cl)cc32)CC1 ZINC000021981328 570300796 /nfs/dbraw/zinc/30/07/96/570300796.db2.gz AZGYHFQQUZPAFZ-SANMLTNESA-N 0 1 389.952 3.596 10 0 in-vitro GHAEMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)cc1OC ZINC000036095994 570535589 /nfs/dbraw/zinc/53/55/89/570535589.db2.gz BNROWUHFXNCFDW-HXUWFJFHSA-N 0 1 391.483 3.631 10 0 GHAEMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000332680034 836456707 /nfs/dbraw/zinc/45/67/07/836456707.db2.gz GSFAYGCFXNHSMR-NSHGMRRFSA-N 0 1 380.536 3.665 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2Br)n[nH]1 ZINC000407980896 838374729 /nfs/dbraw/zinc/37/47/29/838374729.db2.gz PMMFIZPBNOEPMA-CQSZACIVSA-N 0 1 377.286 3.860 10 0 GHAEMN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000247777933 844393393 /nfs/dbraw/zinc/39/33/93/844393393.db2.gz RCVDKGUDYBVZEA-WMLDXEAASA-N 0 1 389.931 3.596 10 0 GHAEMN CC(C)c1cc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000408184444 841980191 /nfs/dbraw/zinc/98/01/91/841980191.db2.gz YBORBHRJJNPUIK-DLBZAZTESA-N 0 1 383.540 3.834 10 0 GHAEMN Cc1nc([C@@H](N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)n[nH]1 ZINC000162491354 843264723 /nfs/dbraw/zinc/26/47/23/843264723.db2.gz VYIUWAHYXGEYGM-VLIAUNLRSA-N 0 1 390.491 3.837 10 0 GHAEMN Cc1nc([C@@H](N[C@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)n[nH]1 ZINC000162492659 843265398 /nfs/dbraw/zinc/26/53/98/843265398.db2.gz HYOZPKIDGCAXOA-KUHUBIRLSA-N 0 1 377.448 3.510 10 0 GHAEMN Cc1nc2c(n1[C@H]1CCN(C(=O)[C@H]3CCCc4c(O)cccc43)C1)CCCC2 ZINC000276841377 843509296 /nfs/dbraw/zinc/50/92/96/843509296.db2.gz HBDBQNWEPRGGMM-LPHOPBHVSA-N 0 1 379.504 3.669 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCc1cn(C)c2ccccc12 ZINC000155229411 849482961 /nfs/dbraw/zinc/48/29/61/849482961.db2.gz UGLBBBFFDMPCFJ-GCJKJVERSA-N 0 1 390.531 3.533 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000328663830 854494824 /nfs/dbraw/zinc/49/48/24/854494824.db2.gz BFWKOXPRCKIZSM-OAGGEKHMSA-N 0 1 378.398 3.989 10 0 GHAEMN COc1ccccc1CC1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000102410619 860262869 /nfs/dbraw/zinc/26/28/69/860262869.db2.gz ZRMQJCMMMMMUNK-UHFFFAOYSA-N 0 1 383.517 3.528 10 0 GHAEMN CCc1nc([C@@H]2CN(C(=O)CC3CCC(c4ccccc4)CC3)CCO2)n[nH]1 ZINC000173097277 860804106 /nfs/dbraw/zinc/80/41/06/860804106.db2.gz IVURZUHBIJVTDY-KVZIAJEVSA-N 0 1 382.508 3.631 10 0 GHAEMN COc1ccc([C@@H](C)NCC(=O)Nc2ccccc2Br)cc1F ZINC000102698912 860820878 /nfs/dbraw/zinc/82/08/78/860820878.db2.gz MVNXIIMRJCMUFC-LLVKDONJSA-N 0 1 381.245 3.886 10 0 GHAEMN CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000172193636 882176269 /nfs/dbraw/zinc/17/62/69/882176269.db2.gz CFCYZARPFAYZHV-UGKGYDQZSA-N 0 1 380.536 3.566 10 0 GHAEMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000047217480 870461508 /nfs/dbraw/zinc/46/15/08/870461508.db2.gz HTKPVAROJXKMHM-IRXDYDNUSA-N 0 1 390.281 3.623 10 0 GHAEMN O=S(=O)(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cccc2ncccc21 ZINC000102320363 872932766 /nfs/dbraw/zinc/93/27/66/872932766.db2.gz HXLOJKACGQJMDR-UHFFFAOYSA-N 0 1 391.456 3.698 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000176525472 882711308 /nfs/dbraw/zinc/71/13/08/882711308.db2.gz CGUUHHAUIDSNQK-YJBOKZPZSA-N 0 1 398.473 3.666 10 0 GHAEMN CCn1cc(CC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c2ccccc21 ZINC000116248510 873368164 /nfs/dbraw/zinc/36/81/64/873368164.db2.gz KTLXRVYGIZWOGI-AVRDEDQJSA-N 0 1 390.531 3.626 10 0 GHAEMN Cc1cccnc1[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000116553289 873565970 /nfs/dbraw/zinc/56/59/70/873565970.db2.gz USUFQCBVLKDHQZ-CEWLAPEOSA-N 0 1 395.551 3.692 10 0 GHAEMN CN1CC[C@H](CNC(=O)C[C@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180249169 883070357 /nfs/dbraw/zinc/07/03/57/883070357.db2.gz NRGKPKWEHGCFAR-PBEJRMEISA-N 0 1 390.886 3.712 10 0 GHAEMN Cc1nc([C@@H](NC(=O)Nc2cc(F)ccc2OC(F)F)c2ccccc2)n[nH]1 ZINC000121358338 876953211 /nfs/dbraw/zinc/95/32/11/876953211.db2.gz ATXLPBQGEQZULX-HNNXBMFYSA-N 0 1 391.353 3.765 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)[nH]c21 ZINC000122996871 879772541 /nfs/dbraw/zinc/77/25/41/879772541.db2.gz MQXVHCCNXRMNKH-WBVHZDCISA-N 0 1 383.517 3.980 10 0 GHAEMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000182536752 883225876 /nfs/dbraw/zinc/22/58/76/883225876.db2.gz FZNHGLJLSWSTLR-KSFYIVLOSA-N 0 1 395.503 3.668 10 0 GHAEMN Brc1ccccc1-c1cnc(CN2CCCC[C@@H]2c2nnc[nH]2)o1 ZINC000182715913 883231994 /nfs/dbraw/zinc/23/19/94/883231994.db2.gz LJGUHHGPJQXULK-CQSZACIVSA-N 0 1 388.269 3.949 10 0 GHAEMN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000184085471 883315137 /nfs/dbraw/zinc/31/51/37/883315137.db2.gz LOKMPXOFGDZNRN-CQSZACIVSA-N 0 1 376.848 3.566 10 0 GHAEMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000185676542 883572084 /nfs/dbraw/zinc/57/20/84/883572084.db2.gz SZFVKPWLDVEQMY-IBGZPJMESA-N 0 1 398.470 3.882 10 0 GHAEMN O=S1(=O)CC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000186305417 883631104 /nfs/dbraw/zinc/63/11/04/883631104.db2.gz MTDRYOAEJMDVLI-ACJLOTCBSA-N 0 1 394.899 3.566 10 0 GHAEMN CCCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000191713752 884205764 /nfs/dbraw/zinc/20/57/64/884205764.db2.gz GKQUVJNSWLWUJL-UWJYYQICSA-N 0 1 397.519 3.519 10 0 GHAEMN C[C@H](c1ccc(Br)cc1)N1CCC(c2ccnn2CCO)CC1 ZINC000112340677 886259207 /nfs/dbraw/zinc/25/92/07/886259207.db2.gz AIAHYYDPGVSQHQ-CQSZACIVSA-N 0 1 378.314 3.579 10 0 GHAEMN CCOc1cccc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000116539340 886364850 /nfs/dbraw/zinc/36/48/50/886364850.db2.gz DUJJAOIQMROVSC-SPEDKVCISA-N 0 1 396.535 3.751 10 0 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385.508 3.897 10 0 GHAEMN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000328985898 854641853 /nfs/dbraw/zinc/64/18/53/854641853.db2.gz UANZDYJZYATEKG-ZUCKAHLUSA-N 0 1 378.398 3.538 10 0 GHAEMN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000328985898 854641861 /nfs/dbraw/zinc/64/18/61/854641861.db2.gz UANZDYJZYATEKG-ZUCKAHLUSA-N 0 1 378.398 3.538 10 0 GHAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(-c4ccc(C)c(C)c4)cc3F)CCO2)n[nH]1 ZINC000173086746 860436702 /nfs/dbraw/zinc/43/67/02/860436702.db2.gz XGZQFVHYTLZDOV-FQEVSTJZSA-N 0 1 394.450 3.750 10 0 GHAEMN Cc1nc([C@@H]2CN(C(=O)C3(c4cccc(Cl)c4)CCCCC3)CCO2)n[nH]1 ZINC000173092490 860436824 /nfs/dbraw/zinc/43/68/24/860436824.db2.gz ZYHSBZQPUGWCID-KRWDZBQOSA-N 0 1 388.899 3.569 10 0 GHAEMN COc1ccc([C@@H](NCc2nc(=O)c3c4c(sc3[nH]2)CCC4)C(C)C)cc1 ZINC000102693293 860818405 /nfs/dbraw/zinc/81/84/05/860818405.db2.gz NRMYKNGGMYFSPF-IBGZPJMESA-N 0 1 383.517 3.969 10 0 GHAEMN COc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1F ZINC000102699650 860822250 /nfs/dbraw/zinc/82/22/50/860822250.db2.gz SNHCHUWNJBSJFQ-ZDUSSCGKSA-N 0 1 396.409 3.745 10 0 GHAEMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000103285803 863939842 /nfs/dbraw/zinc/93/98/42/863939842.db2.gz ZWIDGHALHOPFSR-WBVHZDCISA-N 0 1 396.922 3.824 10 0 GHAEMN COC(=O)c1oc([C@@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000091531080 882113292 /nfs/dbraw/zinc/11/32/92/882113292.db2.gz PERNNYIHAYJYTN-MRXNPFEDSA-N 0 1 376.497 3.550 10 0 GHAEMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000047217486 870462415 /nfs/dbraw/zinc/46/24/15/870462415.db2.gz HTKPVAROJXKMHM-IAGOWNOFSA-N 0 1 390.281 3.623 10 0 GHAEMN COc1ccc(CN2CCC(n3cncn3)CC2)cc1OCc1ccccc1 ZINC000092647527 882410390 /nfs/dbraw/zinc/41/03/90/882410390.db2.gz AIOHRIRGAXABJB-UHFFFAOYSA-N 0 1 378.476 3.703 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000116251278 873370399 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886358394 /nfs/dbraw/zinc/35/83/94/886358394.db2.gz BRBVMLPYTZJIIA-JPYJTQIMSA-N 0 1 389.499 3.640 10 0 GHAEMN Cc1coc(-c2ccc(C)c(NC(=O)N3CCC(N4CCO[C@H](C)C4)CC3)c2)n1 ZINC000120998127 886536250 /nfs/dbraw/zinc/53/62/50/886536250.db2.gz OLJJYECWXKHXQD-QGZVFWFLSA-N 0 1 398.507 3.675 10 0 GHAEMN Cc1cccc(C)c1NC(=O)CCCN1CCCN(C(=O)c2cccs2)CC1 ZINC000137374641 888349220 /nfs/dbraw/zinc/34/92/20/888349220.db2.gz JYRLDXZUJDTPJU-UHFFFAOYSA-N 0 1 399.560 3.932 10 0 GHAEMN C[C@@H](CC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000245545464 888890328 /nfs/dbraw/zinc/89/03/28/888890328.db2.gz VKMHROXGEPCEHV-SJORKVTESA-N 0 1 378.944 3.620 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000246080571 890320236 /nfs/dbraw/zinc/32/02/36/890320236.db2.gz UYADZWNDASFUJK-RHSMWYFYSA-N 0 1 393.409 3.621 10 0 GHAEMN COc1ccc(CCCCCC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000067154353 891143927 /nfs/dbraw/zinc/14/39/27/891143927.db2.gz WYVHEAUWFCGFPI-IBGZPJMESA-N 0 1 388.552 3.510 10 0 GHAEMN COc1ccc(CCCCCC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000067154353 891143934 /nfs/dbraw/zinc/14/39/34/891143934.db2.gz WYVHEAUWFCGFPI-IBGZPJMESA-N 0 1 388.552 3.510 10 0 GHAEMN CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246542209 891284082 /nfs/dbraw/zinc/28/40/82/891284082.db2.gz JWIUAYVGLQORSE-ATZDWAIDSA-N 0 1 388.487 3.518 10 0 GHAEMN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246542209 891284095 /nfs/dbraw/zinc/28/40/95/891284095.db2.gz JWIUAYVGLQORSE-ATZDWAIDSA-N 0 1 388.487 3.518 10 0 GHAEMN Cc1cc(CN2CCS[C@@H]3COCC[C@H]32)nc(-c2ccc(Cl)cc2)n1 ZINC000246704141 891300123 /nfs/dbraw/zinc/30/01/23/891300123.db2.gz NCGKWLFLNIBAGN-QZTJIDSGSA-N 0 1 375.925 3.812 10 0 GHAEMN Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1C ZINC000247074660 891341831 /nfs/dbraw/zinc/34/18/31/891341831.db2.gz CPIUIIVIIKGTAE-QVKFZJNVSA-N 0 1 376.504 3.820 10 0 GHAEMN C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247087006 891343106 /nfs/dbraw/zinc/34/31/06/891343106.db2.gz DMGBTGDRCFULJL-TXPKVOOTSA-N 0 1 387.911 3.529 10 0 GHAEMN CCCOc1c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cccc1OCC ZINC000247280138 891362161 /nfs/dbraw/zinc/36/21/61/891362161.db2.gz YNTILLGKCHRPDD-YLJYHZDGSA-N 0 1 387.524 3.553 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000249112248 891497352 /nfs/dbraw/zinc/49/73/52/891497352.db2.gz CFGVNNPHOWXXHD-DYESRHJHSA-N 0 1 398.576 3.943 10 0 GHAEMN Cc1cc(CCC(=O)N2CCCC[C@@H]2c2nnc[nH]2)ccc1Br ZINC000179359528 906481588 /nfs/dbraw/zinc/48/15/88/906481588.db2.gz VGOPSUPVPIQSHO-OAHLLOKOSA-N 0 1 377.286 3.562 10 0 GHAEMN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179356455 906482165 /nfs/dbraw/zinc/48/21/65/906482165.db2.gz UQUVLIXMZNLGBR-OAHLLOKOSA-N 0 1 385.855 3.800 10 0 GHAEMN O=C(CCCc1ccccc1Br)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181394859 906991455 /nfs/dbraw/zinc/99/14/55/906991455.db2.gz MUZBCQMTHYRUTI-HNNXBMFYSA-N 0 1 377.286 3.644 10 0 GHAEMN CC(C)c1nccn1Cc1cccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000183071125 907322785 /nfs/dbraw/zinc/32/27/85/907322785.db2.gz NUWIZQVFHFCZNG-SFHVURJKSA-N 0 1 393.495 3.932 10 0 GHAEMN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183359991 907375378 /nfs/dbraw/zinc/37/53/78/907375378.db2.gz MFGQPFUYFPDAAX-MRXNPFEDSA-N 0 1 398.854 3.776 10 0 GHAEMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cn(C)c2ccccc12 ZINC000185436692 1014579136 /nfs/dbraw/zinc/57/91/36/1014579136.db2.gz KWXMLZITHQCSMS-SPEDKVCISA-N 0 1 390.531 3.704 10 0 GHAEMN O=c1[nH]c2ccccc2n1C1CCN(CCCc2noc3cc(F)ccc23)CC1 ZINC000000538067 212142510 /nfs/dbraw/zinc/14/25/10/212142510.db2.gz VEUGOXRZHKYDED-UHFFFAOYSA-N 0 1 394.450 3.880 10 0 in-man GHAEMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000329626318 835462422 /nfs/dbraw/zinc/46/24/22/835462422.db2.gz GQSZYOBQJGAVEO-MAUKXSAKSA-N 0 1 383.517 3.699 10 0 GHAEMN O=C(Nc1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1)C1CCCCC1 ZINC000177328334 837894213 /nfs/dbraw/zinc/89/42/13/837894213.db2.gz PKWZAPOJZMERSK-HXUWFJFHSA-N 0 1 384.524 3.907 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)n[nH]1 ZINC000407979508 838368844 /nfs/dbraw/zinc/36/88/44/838368844.db2.gz AYTCNEVLWAUGBY-ZDUSSCGKSA-N 0 1 383.677 3.896 10 0 GHAEMN Cc1cc(-c2cc(=O)[nH]c(-c3cccc(CN4CCSCC4)c3)n2)c(C)o1 ZINC000020541931 839954482 /nfs/dbraw/zinc/95/44/82/839954482.db2.gz GHBYEDWSGKVOEQ-UHFFFAOYSA-N 0 1 381.501 3.863 10 0 GHAEMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@H]3CCCc4c(O)cccc43)C1)CCCC2 ZINC000276841396 843509743 /nfs/dbraw/zinc/50/97/43/843509743.db2.gz HBDBQNWEPRGGMM-VQIMIIECSA-N 0 1 379.504 3.669 10 0 GHAEMN CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000152020889 846146250 /nfs/dbraw/zinc/14/62/50/846146250.db2.gz VLNVSQCKJKPMHF-LZJOCLMNSA-N 0 1 399.560 3.598 10 0 GHAEMN Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@@H]2C[C@H](C)Sc3sccc32)CC(=O)N1C ZINC000330185781 862645264 /nfs/dbraw/zinc/64/52/64/862645264.db2.gz JHCSERMRRXNKDO-QMJNRFBBSA-N 0 1 390.578 3.585 10 0 GHAEMN CCC(C)(C)NC(=O)CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102402096 860257858 /nfs/dbraw/zinc/25/78/58/860257858.db2.gz VMRMJLBJXBAUQX-HNNXBMFYSA-N 0 1 390.915 3.874 10 0 GHAEMN CCc1nc([C@@H]2CN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CCO2)n[nH]1 ZINC000173093118 860795972 /nfs/dbraw/zinc/79/59/72/860795972.db2.gz HWMIXBPXMXRQJF-IBGZPJMESA-N 0 1 396.491 3.688 10 0 GHAEMN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000102699014 860820684 /nfs/dbraw/zinc/82/06/84/860820684.db2.gz SWPXZVZPUJKWPS-LLVKDONJSA-N 0 1 394.468 3.589 10 0 GHAEMN Cn1nccc1[C@H]1[C@H](CNc2ncnc3sc4c(c32)CCCC4)CCCN1C ZINC000329180493 861112462 /nfs/dbraw/zinc/11/24/62/861112462.db2.gz DLZNRMAOXBDNME-IFXJQAMLSA-N 0 1 396.564 3.799 10 0 GHAEMN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000105024674 866236763 /nfs/dbraw/zinc/23/67/63/866236763.db2.gz SZSXZIDTDXDKJA-FQEVSTJZSA-N 0 1 378.476 3.641 10 0 GHAEMN Cc1c(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)sc2cccc(F)c12 ZINC000173280818 882346039 /nfs/dbraw/zinc/34/60/39/882346039.db2.gz ZYILRSOWPQFIJY-INIZCTEOSA-N 0 1 389.540 3.591 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1SCCc2sccc21 ZINC000173517202 882374874 /nfs/dbraw/zinc/37/48/74/882374874.db2.gz PDHBJWJZKVUSPD-LJHODMEESA-N 0 1 387.574 3.500 10 0 GHAEMN C[C@H](CC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)Cc1ccc(Cl)cc1 ZINC000092882766 882444274 /nfs/dbraw/zinc/44/42/74/882444274.db2.gz VKMHROXGEPCEHV-IRXDYDNUSA-N 0 1 378.944 3.620 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)[nH]c21 ZINC000175056072 882520205 /nfs/dbraw/zinc/52/02/05/882520205.db2.gz LAROFPJIWCFTIV-UHFFFAOYSA-N 0 1 390.487 3.681 10 0 GHAEMN COc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1OCc1cccnc1 ZINC000093691510 882598632 /nfs/dbraw/zinc/59/86/32/882598632.db2.gz PRTIGCAXYFRHDQ-NRFANRHFSA-N 0 1 391.471 3.718 10 0 GHAEMN Cc1cccc2nc(CCC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)[nH]c21 ZINC000175804481 882632583 /nfs/dbraw/zinc/63/25/83/882632583.db2.gz VPFIGGBOCMTOPJ-INIZCTEOSA-N 0 1 380.467 3.586 10 0 GHAEMN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3nc4cccc(C)c4[nH]3)C2)c1 ZINC000176389334 882687566 /nfs/dbraw/zinc/68/75/66/882687566.db2.gz JBKLEEKNSCXIPG-MRXNPFEDSA-N 0 1 393.487 3.837 10 0 GHAEMN CCc1cccc2c(CC(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000116242726 873366204 /nfs/dbraw/zinc/36/62/04/873366204.db2.gz JGMPHRVBCXQLLD-HTAPYJJXSA-N 0 1 390.531 3.695 10 0 GHAEMN COc1ccc(SCCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000116245123 873366278 /nfs/dbraw/zinc/36/62/78/873366278.db2.gz IMSYVRWXJZKMKK-UTKZUKDTSA-N 0 1 399.560 3.599 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000116246702 873367873 /nfs/dbraw/zinc/36/78/73/873367873.db2.gz PWOORFOUMOKISS-LIRRHRJNSA-N 0 1 392.330 3.958 10 0 GHAEMN Cc1cccc2nc(CCC(=O)NCc3nc(-c4cccc(Cl)c4)no3)[nH]c21 ZINC000176585965 882716231 /nfs/dbraw/zinc/71/62/31/882716231.db2.gz CSSHESBDKBACMH-UHFFFAOYSA-N 0 1 395.850 3.824 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1OC(F)F ZINC000116477383 873512938 /nfs/dbraw/zinc/51/29/38/873512938.db2.gz LUVKURUITHQFFM-HOCLYGCPSA-N 0 1 390.434 3.715 10 0 GHAEMN CCOc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1OC ZINC000116478972 873513130 /nfs/dbraw/zinc/51/31/30/873513130.db2.gz NYIXLWBIMPVLGO-LPHOPBHVSA-N 0 1 398.507 3.521 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000116484682 873514928 /nfs/dbraw/zinc/51/49/28/873514928.db2.gz OPYBTUDEHJSNEN-KSSFIOAISA-N 0 1 390.434 3.715 10 0 GHAEMN CCOc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000116488805 873515885 /nfs/dbraw/zinc/51/58/85/873515885.db2.gz NXOCGEPHAPESDW-UWJYYQICSA-N 0 1 382.508 3.821 10 0 GHAEMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000180863722 883105136 /nfs/dbraw/zinc/10/51/36/883105136.db2.gz QHEWGASSQVFRHI-OXJNMPFZSA-N 0 1 398.503 3.727 10 0 GHAEMN CC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(C(F)(F)F)c1 ZINC000183065759 883259291 /nfs/dbraw/zinc/25/92/91/883259291.db2.gz KTECXQXTRSUKID-CQSZACIVSA-N 0 1 396.373 3.541 10 0 GHAEMN CC(=O)N1CC[C@@H](N[C@@H](C)c2cnc3cc(C)nn3c2C)c2ccc(F)cc2C1 ZINC000184529534 883352754 /nfs/dbraw/zinc/35/27/54/883352754.db2.gz MUYPOTIUDOADRR-LHSJRXKWSA-N 0 1 395.482 3.629 10 0 GHAEMN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184534494 883354619 /nfs/dbraw/zinc/35/46/19/883354619.db2.gz AMPYXQSGJGUVEH-PEBXRYMYSA-N 0 1 383.467 3.928 10 0 GHAEMN CC(=O)N1CC[C@H](NCc2cnn(Cc3ccccc3)c2)c2ccc(F)cc2C1 ZINC000185352696 883439413 /nfs/dbraw/zinc/43/94/13/883439413.db2.gz KLHNEURYZZZZHA-QHCPKHFHSA-N 0 1 392.478 3.654 10 0 GHAEMN CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000105390158 884734367 /nfs/dbraw/zinc/73/43/67/884734367.db2.gz XOGKFPQSOLSBJL-UHFFFAOYSA-N 0 1 384.910 3.612 10 0 GHAEMN Cc1cccc(CSCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000116251432 886357215 /nfs/dbraw/zinc/35/72/15/886357215.db2.gz LENADAWMGFEWLA-RXVVDRJESA-N 0 1 383.561 3.650 10 0 GHAEMN CC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000116522791 886363786 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901652873 /nfs/dbraw/zinc/65/28/73/901652873.db2.gz TUTBLXJVZOGOSP-OAHLLOKOSA-N 0 1 385.493 3.673 10 0 GHAEMN C[C@@H](CC(=O)N1CCCC[C@@H]1c1nnc[nH]1)c1ccc(Br)cc1 ZINC000181384705 906987953 /nfs/dbraw/zinc/98/79/53/906987953.db2.gz BDGATQDRXZHYRQ-SWLSCSKDSA-N 0 1 377.286 3.815 10 0 GHAEMN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000186991018 908015269 /nfs/dbraw/zinc/01/52/69/908015269.db2.gz HJIYYLCJHPFEMC-CYBMUJFWSA-N 0 1 388.378 3.713 10 0 GHAEMN CCC(=O)c1ccc(OCCCCC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000187839501 908146128 /nfs/dbraw/zinc/14/61/28/908146128.db2.gz HWCJBRWZLWRWEL-GOSISDBHSA-N 0 1 384.480 3.700 10 0 GHAEMN O=C(Nc1cc(F)cc(F)c1Br)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000190613398 908508750 /nfs/dbraw/zinc/50/87/50/908508750.db2.gz LQNDAADCHUMGKF-LLVKDONJSA-N 0 1 386.200 3.605 10 0 GHAEMN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000012435599 221193691 /nfs/dbraw/zinc/19/36/91/221193691.db2.gz IRFCKJMRWVMXOM-OAQYLSRUSA-N 0 1 397.494 3.697 10 0 GHAEMN COc1cccc(-c2cc(-c3ccc(C(=O)N4CCSCC4)cc3)[nH]n2)c1 ZINC000023305177 221590728 /nfs/dbraw/zinc/59/07/28/221590728.db2.gz NPKBCHKAOIDFKG-UHFFFAOYSA-N 0 1 379.485 3.941 10 0 GHAEMN Cc1nc([C@H](NC(=O)Nc2cnn(-c3ccccc3)c2C)c2ccccc2)n[nH]1 ZINC000156715593 834524486 /nfs/dbraw/zinc/52/44/86/834524486.db2.gz MDPNWVJPXHQWCY-LJQANCHMSA-N 0 1 387.447 3.518 10 0 GHAEMN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n[nH]1 ZINC000158215420 835276978 /nfs/dbraw/zinc/27/69/78/835276978.db2.gz DXKZLVFPTQSDBI-YJBOKZPZSA-N 0 1 392.507 3.628 10 0 GHAEMN Cc1cc(Br)cc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)c1 ZINC000329654269 835538906 /nfs/dbraw/zinc/53/89/06/835538906.db2.gz FFUXWYBNXJEPDH-YOEHRIQHSA-N 0 1 378.270 3.733 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cccc(Br)c2Cl)n[nH]1 ZINC000407980665 838377695 /nfs/dbraw/zinc/37/76/95/838377695.db2.gz NLAFKCUWCYFIPJ-GFCCVEGCSA-N 0 1 383.677 3.896 10 0 GHAEMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@H]3CCCc4c(O)cccc43)C1)CCCC2 ZINC000276841359 843509830 /nfs/dbraw/zinc/50/98/30/843509830.db2.gz HBDBQNWEPRGGMM-APWZRJJASA-N 0 1 379.504 3.669 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)[nH]c21 ZINC000155548571 849553219 /nfs/dbraw/zinc/55/32/19/849553219.db2.gz UQVYAESZDCHEOS-QHCPKHFHSA-N 0 1 375.472 3.504 10 0 GHAEMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCC(N2CCc3ccccc32)CC1 ZINC000328904281 854589426 /nfs/dbraw/zinc/58/94/26/854589426.db2.gz JDFNKJXHHRKXRU-UHFFFAOYSA-N 0 1 380.879 3.884 10 0 GHAEMN CC(=O)c1ccc(NC(=O)CCN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928772 860903672 /nfs/dbraw/zinc/90/36/72/860903672.db2.gz YUURBGUGLYRGJY-IBGZPJMESA-N 0 1 380.444 3.784 10 0 GHAEMN Cc1cccc2[nH]cc(CCNC(=O)NC[C@H](c3ccco3)N3CCCC3)c21 ZINC000103176611 863900886 /nfs/dbraw/zinc/90/08/86/863900886.db2.gz AUYZNXVREHVMEV-LJQANCHMSA-N 0 1 380.492 3.748 10 0 GHAEMN CN(C)[C@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1 ZINC000103308837 863951787 /nfs/dbraw/zinc/95/17/87/863951787.db2.gz YIWJNLOCKXAAIR-YADHBBJMSA-N 0 1 392.478 3.912 10 0 GHAEMN O=C(NCCCCN1CCOCC1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000103859803 864099705 /nfs/dbraw/zinc/09/97/05/864099705.db2.gz PSNIMOUUIYIEES-LJQANCHMSA-N 0 1 379.932 3.593 10 0 GHAEMN CCN(CC)[C@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)c1ccccc1 ZINC000104138730 864159489 /nfs/dbraw/zinc/15/94/89/864159489.db2.gz NTRPLJRZGBWBQI-NRFANRHFSA-N 0 1 391.519 3.518 10 0 GHAEMN C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000173276091 882344554 /nfs/dbraw/zinc/34/45/54/882344554.db2.gz SHDMIPZRDVMRRX-QHCPKHFHSA-N 0 1 377.532 3.596 10 0 GHAEMN Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000173284023 882345702 /nfs/dbraw/zinc/34/57/02/882345702.db2.gz WQRWMYQQCBZQQG-INIZCTEOSA-N 0 1 389.927 3.637 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2ccn(C)c2c1 ZINC000173839890 882407997 /nfs/dbraw/zinc/40/79/97/882407997.db2.gz MQCPLSNUESCYSL-UZLBHIALSA-N 0 1 377.492 3.605 10 0 GHAEMN CC(C)C(=O)NC[C@@H]1CCCN(Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000092706529 882420672 /nfs/dbraw/zinc/42/06/72/882420672.db2.gz CHVTXFJEOLFCSR-INIZCTEOSA-N 0 1 388.943 3.725 10 0 GHAEMN O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000105009493 870608102 /nfs/dbraw/zinc/60/81/02/870608102.db2.gz UREKXJYEHXXQQJ-HXUWFJFHSA-N 0 1 396.466 3.780 10 0 GHAEMN Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000174915267 882508244 /nfs/dbraw/zinc/50/82/44/882508244.db2.gz PYFJXZFMGLROIX-CQSZACIVSA-N 0 1 385.430 3.731 10 0 GHAEMN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000176368176 882682540 /nfs/dbraw/zinc/68/25/40/882682540.db2.gz MWPGTPJAEFWOJS-CMPLNLGQSA-N 0 1 381.548 3.706 10 0 GHAEMN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)cc2c1C ZINC000116246596 873368283 /nfs/dbraw/zinc/36/82/83/873368283.db2.gz MVHZJSIGLFFLTQ-YCRPNKLZSA-N 0 1 376.504 3.820 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000116251711 873369816 /nfs/dbraw/zinc/36/98/16/873369816.db2.gz ZFDMTIQGYBWNJP-KSSFIOAISA-N 0 1 377.410 3.741 10 0 GHAEMN COc1ccc([C@H](C)CC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000176606285 882718954 /nfs/dbraw/zinc/71/89/54/882718954.db2.gz KUBDCAQRAHKUJS-FGSXEWAUSA-N 0 1 381.520 3.611 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177306785 882818686 /nfs/dbraw/zinc/81/86/86/882818686.db2.gz QIKDXMGNNBRJQM-IERDGZPVSA-N 0 1 392.503 3.633 10 0 GHAEMN Cc1c([C@@H](C)NCc2cccnc2-n2cncn2)cnn1-c1cc(C)ccc1C ZINC000178048511 882859297 /nfs/dbraw/zinc/85/92/97/882859297.db2.gz MZJMDVKKDVIGNW-QGZVFWFLSA-N 0 1 387.491 3.624 10 0 GHAEMN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000179427865 882998608 /nfs/dbraw/zinc/99/86/08/882998608.db2.gz HKJHWVMBTWFOPQ-FUHWJXTLSA-N 0 1 376.451 3.652 10 0 GHAEMN O=C(COc1ccccc1OCc1ccccc1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181185876 883152709 /nfs/dbraw/zinc/15/27/09/883152709.db2.gz HMIATNHXKXTYFI-GOSISDBHSA-N 0 1 392.459 3.516 10 0 GHAEMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000181528834 883160287 /nfs/dbraw/zinc/16/02/87/883160287.db2.gz HBIMANNDBULWND-UHFFFAOYSA-N 0 1 396.397 3.755 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1scnc1C1CCCC1 ZINC000184896800 883390452 /nfs/dbraw/zinc/39/04/52/883390452.db2.gz KTYMMHLDMQMRRC-YJBOKZPZSA-N 0 1 384.549 3.836 10 0 GHAEMN O=S1(=O)CC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000186305454 883630736 /nfs/dbraw/zinc/63/07/36/883630736.db2.gz MTDRYOAEJMDVLI-UGSOOPFHSA-N 0 1 394.899 3.566 10 0 GHAEMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191534449 884196855 /nfs/dbraw/zinc/19/68/55/884196855.db2.gz POQOFMNCBROIJB-VIFPVBQESA-N 0 1 387.502 3.603 10 0 GHAEMN CCCNc1ccc(CNC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000192586485 884282969 /nfs/dbraw/zinc/28/29/69/884282969.db2.gz IZRLVEKRUKWPLM-LJQANCHMSA-N 0 1 378.480 3.524 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000116250866 886358338 /nfs/dbraw/zinc/35/83/38/886358338.db2.gz NXOJTDPWPDRQHE-LPHOPBHVSA-N 0 1 395.551 3.551 10 0 GHAEMN Cc1nc([C@@H](NC(=O)CCc2cccc(OC(C)(C)C)n2)c2ccccc2)n[nH]1 ZINC000130301668 887415088 /nfs/dbraw/zinc/41/50/88/887415088.db2.gz NPKGXRUTSZQGOT-FQEVSTJZSA-N 0 1 393.491 3.524 10 0 GHAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134350544 887862588 /nfs/dbraw/zinc/86/25/88/887862588.db2.gz DQMIQFQDLWPVHC-IAGOWNOFSA-N 0 1 375.476 3.626 10 0 GHAEMN Cc1c(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cccc1C(F)(F)F ZINC000135204963 887956596 /nfs/dbraw/zinc/95/65/96/887956596.db2.gz JQKJCHRKOSBBSM-ZDUSSCGKSA-N 0 1 385.430 3.731 10 0 GHAEMN Cc1nc([C@@H](NC(=O)CCC(=O)c2cc(C)ccc2C)c2ccccc2)n[nH]1 ZINC000057798298 888413846 /nfs/dbraw/zinc/41/38/46/888413846.db2.gz KYFMSMLQHFXWFB-NRFANRHFSA-N 0 1 376.460 3.599 10 0 GHAEMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CN(C)C3)c1 ZINC000194513972 888609234 /nfs/dbraw/zinc/60/92/34/888609234.db2.gz NRYBRPBPIXNMMU-MRXNPFEDSA-N 0 1 394.519 3.553 10 0 GHAEMN Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000245463998 888760034 /nfs/dbraw/zinc/76/00/34/888760034.db2.gz PDVQVSHNQHSBPV-UZLBHIALSA-N 0 1 390.487 3.685 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000245565462 888965858 /nfs/dbraw/zinc/96/58/58/888965858.db2.gz PNVIQGSDPAGYMO-IIBYNOLFSA-N 0 1 399.485 3.808 10 0 GHAEMN C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000246551119 891285836 /nfs/dbraw/zinc/28/58/36/891285836.db2.gz YRARUINNQHFOGB-ABSDTBQOSA-N 0 1 386.565 3.532 10 0 GHAEMN CSc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000246886151 891320608 /nfs/dbraw/zinc/32/06/08/891320608.db2.gz GISIRZCLUHCKSM-OXQOHEQNSA-N 0 1 384.549 3.513 10 0 GHAEMN CSc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246886129 891320954 /nfs/dbraw/zinc/32/09/54/891320954.db2.gz GISIRZCLUHCKSM-OXJNMPFZSA-N 0 1 384.549 3.513 10 0 GHAEMN C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247086935 891343745 /nfs/dbraw/zinc/34/37/45/891343745.db2.gz DMGBTGDRCFULJL-GJYPPUQNSA-N 0 1 387.911 3.529 10 0 GHAEMN C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000247281899 891361767 /nfs/dbraw/zinc/36/17/67/891361767.db2.gz SIJUFZLWYIXZBA-XQFWAAQXSA-N 0 1 377.532 3.918 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000247281899 891361784 /nfs/dbraw/zinc/36/17/84/891361784.db2.gz SIJUFZLWYIXZBA-XQFWAAQXSA-N 0 1 377.532 3.918 10 0 GHAEMN COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247323623 891366740 /nfs/dbraw/zinc/36/67/40/891366740.db2.gz XNZMSTVUJYPVKR-CNNODRBYSA-N 0 1 395.547 3.686 10 0 GHAEMN COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247323623 891366757 /nfs/dbraw/zinc/36/67/57/891366757.db2.gz XNZMSTVUJYPVKR-CNNODRBYSA-N 0 1 395.547 3.686 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000247339707 891369884 /nfs/dbraw/zinc/36/98/84/891369884.db2.gz ZFDMTIQGYBWNJP-KBXCAEBGSA-N 0 1 377.410 3.741 10 0 GHAEMN Cc1cccnc1[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247560550 891385852 /nfs/dbraw/zinc/38/58/52/891385852.db2.gz USUFQCBVLKDHQZ-HMXCVIKNSA-N 0 1 395.551 3.692 10 0 GHAEMN CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247586088 891387813 /nfs/dbraw/zinc/38/78/13/891387813.db2.gz ZPCBXSYTOCVYBQ-XMSQKQJNSA-N 0 1 396.535 3.532 10 0 GHAEMN Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C)n1Cc1ccccn1 ZINC000248073228 891409002 /nfs/dbraw/zinc/40/90/02/891409002.db2.gz QUHVDNVVPPSTOA-GOTSBHOMSA-N 0 1 388.515 3.723 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1scnc1C1CCCC1 ZINC000248426346 891434391 /nfs/dbraw/zinc/43/43/91/891434391.db2.gz KTYMMHLDMQMRRC-CRAIPNDOSA-N 0 1 384.549 3.836 10 0 GHAEMN CCCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248882138 891477891 /nfs/dbraw/zinc/47/78/91/891477891.db2.gz GKQUVJNSWLWUJL-UTKZUKDTSA-N 0 1 397.519 3.519 10 0 GHAEMN CCCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248882138 891477897 /nfs/dbraw/zinc/47/78/97/891477897.db2.gz GKQUVJNSWLWUJL-UTKZUKDTSA-N 0 1 397.519 3.519 10 0 GHAEMN O=C(CCOc1ccccc1-c1ccccc1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181358221 906982221 /nfs/dbraw/zinc/98/22/21/906982221.db2.gz UVLZLXTZTSFSHO-LJQANCHMSA-N 0 1 376.460 3.994 10 0 GHAEMN O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000185420294 907770536 /nfs/dbraw/zinc/77/05/36/907770536.db2.gz ZWGIBDIGBQLEFA-GFCCVEGCSA-N 0 1 387.337 3.644 10 0 GHAEMN O=C(Nc1cc(F)cc(F)c1Br)N1CCCC[C@H]1c1nnc[nH]1 ZINC000190613417 908508822 /nfs/dbraw/zinc/50/88/22/908508822.db2.gz LQNDAADCHUMGKF-NSHDSACASA-N 0 1 386.200 3.605 10 0 GHAEMN COCCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1ccccc1 ZINC000015920762 221352165 /nfs/dbraw/zinc/35/21/65/221352165.db2.gz RMCRNDHNTDPWCG-OAQYLSRUSA-N 0 1 377.444 3.667 10 0 GHAEMN [NH3+][C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000095496386 222331961 /nfs/dbraw/zinc/33/19/61/222331961.db2.gz NWJHWCVAZJUKAE-FCHUYYIVSA-N 0 1 387.435 3.538 10 0 GHAEMN Cc1cc(Br)cc(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)c1 ZINC000329654260 835539033 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C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1cc(Cl)ccc1F ZINC000247573548 891387518 /nfs/dbraw/zinc/38/75/18/891387518.db2.gz XBYOYBLFSBZFNR-CXAGYDPISA-N 0 1 376.863 3.906 10 0 GHAEMN CN1CC[C@H](N[C@H]2CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000248558922 891428557 /nfs/dbraw/zinc/42/85/57/891428557.db2.gz LZSPTCAKLRXDSX-BJLQDIEVSA-N 0 1 390.936 3.594 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N[C@H]1CCCc2sccc21 ZINC000248719135 891461616 /nfs/dbraw/zinc/46/16/16/891461616.db2.gz LIGBRNQNOVMAGP-LZQZEXGQSA-N 0 1 384.549 3.730 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000252032047 891669176 /nfs/dbraw/zinc/66/91/76/891669176.db2.gz ZQWKYNINHLHUHY-AUUYWEPGSA-N 0 1 390.890 3.584 10 0 GHAEMN Cc1cc(F)cc2c([O-])c(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cnc12 ZINC000253556324 891881504 /nfs/dbraw/zinc/88/15/04/891881504.db2.gz LAHSMEHSVNESMM-QUCCMNQESA-N 0 1 379.435 3.563 10 0 GHAEMN Cc1cc(F)cc2c([O-])c(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)cnc12 ZINC000253556324 891881511 /nfs/dbraw/zinc/88/15/11/891881511.db2.gz LAHSMEHSVNESMM-QUCCMNQESA-N 0 1 379.435 3.563 10 0 GHAEMN C[C@H]1CCC[C@H](CCNC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)C1 ZINC000333430461 902084095 /nfs/dbraw/zinc/08/40/95/902084095.db2.gz JYCBOHWXXXLWKC-YOUFYPILSA-N 0 1 389.588 3.661 10 0 GHAEMN Cc1nc(COc2cccc(C(=O)N3CCCC[C@H]3c3nnc[nH]3)c2)cs1 ZINC000179356221 906481874 /nfs/dbraw/zinc/48/18/74/906481874.db2.gz GGFKVUWKQNARTC-KRWDZBQOSA-N 0 1 383.477 3.516 10 0 GHAEMN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183074546 907322187 /nfs/dbraw/zinc/32/21/87/907322187.db2.gz CSIOVOKLQSTWPA-ZDUSSCGKSA-N 0 1 388.378 3.713 10 0 GHAEMN CCOc1ccc(C(=O)N=c2[nH]n(Cc3cccn3CC)c(=S)s2)cc1 ZINC000334161952 212107457 /nfs/dbraw/zinc/10/74/57/212107457.db2.gz HTRIHSMGVSFKQN-UHFFFAOYSA-N 0 1 388.518 3.617 10 0 GHAEMN CCCN(CCc1ccccn1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000105161603 837519233 /nfs/dbraw/zinc/51/92/33/837519233.db2.gz REKBMYDJGWUHDD-UHFFFAOYSA-N 0 1 398.526 3.849 10 0 GHAEMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCO[C@@H]2CCCC[C@H]21 ZINC000068437276 834980615 /nfs/dbraw/zinc/98/06/15/834980615.db2.gz WRHCSMGKDSDVQK-ZIAGYGMSSA-N 0 1 390.281 3.623 10 0 GHAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)n[nH]1 ZINC000407981985 838387337 /nfs/dbraw/zinc/38/73/37/838387337.db2.gz WMLKVICOVNOWSB-CYBMUJFWSA-N 0 1 385.212 3.521 10 0 GHAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)n[nH]1 ZINC000407981988 838387365 /nfs/dbraw/zinc/38/73/65/838387365.db2.gz WMLKVICOVNOWSB-ZDUSSCGKSA-N 0 1 385.212 3.521 10 0 GHAEMN O=C(CCSc1ccc(Br)cc1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181375131 838787140 /nfs/dbraw/zinc/78/71/40/838787140.db2.gz DKSWULLWSFRORJ-CQSZACIVSA-N 0 1 395.326 3.803 10 0 GHAEMN Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000106179585 840669526 /nfs/dbraw/zinc/66/95/26/840669526.db2.gz RCVDKGUDYBVZEA-YOEHRIQHSA-N 0 1 389.931 3.596 10 0 GHAEMN CC(=CC(C)(C)C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000588500936 846322334 /nfs/dbraw/zinc/32/23/34/846322334.db2.gz MPUVONCKMDMJMU-LUAWRHEFSA-N 0 1 377.286 3.843 10 0 GHAEMN C/C(=C/C(C)(C)C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000588500936 846322341 /nfs/dbraw/zinc/32/23/41/846322341.db2.gz MPUVONCKMDMJMU-LUAWRHEFSA-N 0 1 377.286 3.843 10 0 GHAEMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000329608116 861758222 /nfs/dbraw/zinc/75/82/22/861758222.db2.gz BNWDVXUHNUNWRY-LAUBAEHRSA-N 0 1 377.488 3.638 10 0 GHAEMN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000588528777 847677098 /nfs/dbraw/zinc/67/70/98/847677098.db2.gz RQUIGTWELQKPMO-PLNGDYQASA-N 0 1 396.900 3.602 10 0 GHAEMN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1coc(C2CCCCC2)n1 ZINC000328753032 854528461 /nfs/dbraw/zinc/52/84/61/854528461.db2.gz NOVYFRGYVLJYHY-FXAWDEMLSA-N 0 1 399.539 3.611 10 0 GHAEMN CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000098029148 856253717 /nfs/dbraw/zinc/25/37/17/856253717.db2.gz LUJNPFBGYZGECR-IAGOWNOFSA-N 0 1 375.513 3.581 10 0 GHAEMN 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/nfs/dbraw/zinc/36/88/07/873368807.db2.gz PWOORFOUMOKISS-KUHUBIRLSA-N 0 1 392.330 3.958 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000116249085 873370114 /nfs/dbraw/zinc/37/01/14/873370114.db2.gz NKNMFGZWBRSXJE-RUUIYCEZSA-N 0 1 386.499 3.670 10 0 GHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000116251024 873370541 /nfs/dbraw/zinc/37/05/41/873370541.db2.gz APQJCUXXIPQCLE-JXFKEZNVSA-N 0 1 383.923 3.793 10 0 GHAEMN C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)CCO1 ZINC000177117550 882762801 /nfs/dbraw/zinc/76/28/01/882762801.db2.gz SKDPZTDLAYHRLP-AWEZNQCLSA-N 0 1 388.895 3.524 10 0 GHAEMN Cc1cccc2nc(CCC(=O)N[C@@H](C)c3nc(-c4cccc(F)c4)no3)[nH]c21 ZINC000177654656 882839365 /nfs/dbraw/zinc/83/93/65/882839365.db2.gz ZHRWFIDMGZMKCR-ZDUSSCGKSA-N 0 1 393.422 3.870 10 0 GHAEMN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179839146 883031237 /nfs/dbraw/zinc/03/12/37/883031237.db2.gz OFCRQKSAGIFAIA-AWEZNQCLSA-N 0 1 388.399 3.942 10 0 GHAEMN C[C@@H]1CN(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCO1 ZINC000180044110 883047523 /nfs/dbraw/zinc/04/75/23/883047523.db2.gz SWHLUDPHGXPDSJ-GFCCVEGCSA-N 0 1 390.833 3.684 10 0 GHAEMN Cc1nc([C@H](NC(=O)Nc2cc(F)ccc2OC(F)F)c2ccccc2)n[nH]1 ZINC000121358183 876953345 /nfs/dbraw/zinc/95/33/45/876953345.db2.gz ATXLPBQGEQZULX-OAHLLOKOSA-N 0 1 391.353 3.765 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000180858897 883103919 /nfs/dbraw/zinc/10/39/19/883103919.db2.gz POTARNOWOGQTEW-UTKZUKDTSA-N 0 1 376.504 3.522 10 0 GHAEMN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000184085488 883314986 /nfs/dbraw/zinc/31/49/86/883314986.db2.gz LOKMPXOFGDZNRN-AWEZNQCLSA-N 0 1 376.848 3.566 10 0 GHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1scnc1C1CCCC1 ZINC000184896781 883390762 /nfs/dbraw/zinc/39/07/62/883390762.db2.gz KTYMMHLDMQMRRC-QAPCUYQASA-N 0 1 384.549 3.836 10 0 GHAEMN O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000188446512 883850707 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